| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 33.4 | Very low | 255 Ų | 255 | 150.2 Ų | 150.2 | 100% | 1.256 | 88% | 0.881 | S | S | * | * | 0 | 129.1 | 0 | -62.4 | 162 | 172.9 | 0 | 0 | 106.8 | |||||
| 2 | G | 33.5 | Very low | 33.1 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 88% | 0.882 | S | S | * | * | cis | 151.6 | 110.5 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | N | 32 | Very low | 33 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 96% | 0.957 | 88% | 0.883 | S | S | * | * | trans | 63.5 | 151.8 | 172.6 | -57.5 | -14.1 | 0 | 0 | 0 | 117.5 | ||||
| 4 | G | 31.7 | Very low | 32.8 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 87% | 0.869 | S | S | * | * | cis | 161.7 | 140.4 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 5 | G | 30.9 | Very low | 32.4 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 79% | 0.794 | 86% | 0.861 | S | S | * | * | trans | 68.8 | 165.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 6 | R | 36.5 | Very low | 32.9 | Very low | 244 Ų | 244 | 143.1 Ų | 143.1 | 92% | 0.921 | 86% | 0.86 | S | S | * | * | cis | -172 | 155 | -5.1 | -116.7 | -169.7 | 166.4 | 170.3 | -4.1 | 106.1 | ||||
| 7 | S | 32.3 | Very low | 32.7 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 85% | 0.852 | S | S | * | * | cis | -175.5 | 146.5 | -14.2 | 29.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 8 | G | 30.7 | Very low | 32.6 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | 142.1 | 94.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 9 | L | 34.8 | Very low | 32.7 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 95% | 0.953 | 85% | 0.847 | S | S | * | * | trans | -142.3 | 142.2 | 147.8 | -132.4 | 94.2 | 0 | 0 | 0 | 108.5 | ||||
| 10 | Q | 33.3 | Very low | 32.6 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -76.9 | 141.8 | -169.9 | -74 | 166.3 | -53.4 | 0 | 0 | 113.3 | ||||
| 11 | Q | 31 | Very low | 32.5 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -90.6 | 113.7 | 168.9 | -108.2 | 179.6 | 2 | 0 | 0 | 110.4 | ||||
| 12 | G | 30.2 | Very low | 32 | Very low | 86 Ų | 86 | 128 Ų | 128 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -88.8 | 105.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 13 | K | 31.4 | Very low | 32 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -85 | 124.3 | -175 | -169.2 | 176.2 | -177.9 | 180 | 0 | 110.1 | ||||
| 14 | G | 29.8 | Very low | 31.8 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -75.9 | 158.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 15 | N | 27.3 | Very low | 32 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -144.4 | 143.4 | 147.1 | -146.4 | 44.9 | 0 | 0 | 0 | 110.4 | D17 | N15-D17 PolarHBondContact ND2-OD2 3.04Š| ||
| 16 | V | 41.1 | Very low | 32.1 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -100.3 | 122.1 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 17 | D | 28.8 | Very low | 32.3 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -151.2 | 146.2 | 174.6 | -88.2 | -50.9 | 0 | 0 | 0 | 112.6 | N15 | N15-D17 PolarHBondContact ND2-OD2 3.04Š| ||
| 18 | G | 30.6 | Very low | 32.7 | Very low | 69 Ų | 69 | 121.7 Ų | 121.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 89.2 | 74.8 | 146 | 0 | 0 | 0 | 0 | 0 | 117.3 | A20 | G18-A20 PolarHBondContact O-N 2.84Š| ||
| 19 | V | 35.4 | Very low | 33.9 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -56.4 | 105.9 | 144.2 | 172 | 0 | 0 | 0 | 0 | 107 | A21 | V19-A21 PolarHBondContact O-N 3.4Š| ||
| 20 | A | 30.2 | Very low | 35.1 | Very low | 99 Ų | 99 | 116.4 Ų | 116.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -66.2 | 103.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G18 | G18-A20 PolarHBondContact O-N 2.84Š| ||
| 21 | A | 29.6 | Very low | 37.4 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | trans | -60.6 | 147.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V19 | V19-A21 PolarHBondContact O-N 3.4Š| ||
| 22 | T | 30.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 106 Ų | 106 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | trans | -34.2 | 132.7 | 159 | -36.1 | 0 | 0 | 0 | 0 | 110.9 | T24 | T22-T24 PolarHBondContact O-N 3.08Š| ||
| 23 | P | 32.8 | Very low | 42.9 | Very low | 124 Ų | 124 | 104.6 Ų | 104.6 | 81% | 0.805 | 67% | 0.674 | S | S | * | * | trans | -61.3 | 106.2 | 171.4 | 25.1 | -32.1 | 0 | 0 | 0 | 108.4 | ||||
| 24 | T | 29.6 | Very low | 45.8 | Very low | 128 Ų | 128 | 94.8 Ų | 94.8 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -55.1 | 149 | 178.2 | -12 | 0 | 0 | 0 | 0 | 109.2 | T22 A26 | T22-T24 PolarHBondContact O-N 3.08Å; T24-A26 PolarHBondContact O-N 3.04Å | ||
| 25 | A | 35.5 | Very low | 48.8 | Very low | 106 Ų | 106 | 91.6 Ų | 91.6 | 88% | 0.876 | 60% | 0.599 | S | S | * | * | trans | -68.9 | 69.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | A | 32.9 | Very low | 51.9 | Low | 85 Ų | 85 | 87.3 Ų | 87.3 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | trans | -55.4 | 145.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T24 A28 | T24-A26 PolarHBondContact O-N 3.04Å; A26-A28 VanDerWaalsContact C-N 3.27Å; A26-A28 PolarHBondContact O-N 3.46Å | ||
| 27 | S | 40.4 | Very low | 54.2 | Low | 119 Ų | 119 | 82.7 Ų | 82.7 | 83% | 0.832 | 55% | 0.548 | S | S | * | . | trans | -65.7 | 79.9 | -174.1 | 41.8 | 0 | 0 | 0 | 0 | 112.1 | S29 | S27-S29 PolarHBondContact O-N 2.85Š| ||
| 28 | A | 41.3 | Very low | 57 | Low | 53 Ų | 53 | 77 Ų | 77 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | trans | -55 | 105.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | A26 C30 K42 | A26-A28 VanDerWaalsContact C-N 3.27Å; A26-A28 PolarHBondContact O-N 3.46Å; A28-C30 PolarHBondContact O-N 3.4Å; A28-K42 HydrophobicContact CB-CD 4.25Å | ||
| 29 | S | 54.3 | Low | 59.7 | Low | 89 Ų | 89 | 78.6 Ų | 78.6 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | trans | -56.9 | 127.8 | 172.8 | 49.4 | 0 | 0 | 0 | 0 | 108.4 | S27 Q31 | S27-S29 PolarHBondContact O-N 2.85Å; S29-Q31 VanDerWaalsContact C-N 3.25Å; S29-Q31 PolarHBondContact O-N 2.81Å | ||
| 30 | C | 61.4 | Low | 62.2 | Low | 56 Ų | 56 | 75.9 Ų | 75.9 | 38% | 0.378 | 48% | 0.484 | S | S | . | . | trans | -68.1 | 85.9 | 176 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | A28 Y32 E40 A41 | A28-C30 PolarHBondContact O-N 3.4Å; C30-Y32 VanDerWaalsContact C-N 3.35Å; C30-E40 HydrophobicContact CB-CB 3.84Å; C30-A41 CarbonylContact C-O 3.53Å; C30-A41 WeakPolarHBondContact CA-O 3.09Å | ||
| 31 | Q | 80.9 | Confident | 64.9 | Low | 110 Ų | 110 | 71.8 Ų | 71.8 | 51% | 0.514 | 45% | 0.45 | S | S | . | . | trans | -78.3 | -23.6 | -174.9 | -170.9 | 171.1 | 13.7 | 0 | 0 | 112.3 | S29 | S29-Q31 VanDerWaalsContact C-N 3.25Å; S29-Q31 PolarHBondContact O-N 2.81Å | ||
| 32 | Y | 87.6 | Confident | 67.5 | Low | 65 Ų | 65 | 73.8 Ų | 73.8 | 26% | 0.255 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 165.4 | -169.6 | -59.3 | -70 | 0 | 0 | 0 | 112.5 | C30 A41 L44 N94 | C30-Y32 VanDerWaalsContact C-N 3.35Å; Y32-A41 PolarHBondContact N-O 3.47Å; Y32-A41 PolarHBondContact O-N 3.13Å; Y32-L44 HydrophobicContact CD1-CD1 3.61Å; Y32-L44 HydrophobicContact CD1-CD2 3.9Å; Y32-L44 HydrophobicContact CD1-CG 3.65Å; Y32-L44 HydrophobicContact CD2-CG 4.07Å; Y32-L44 HydrophobicContact CE1-CD1 3.67Å; Y32-L44 HydrophobicContact CE1-CG 4.02Å; Y32-L44 HydrophobicContact CE2-CG 4.41Å; Y32-L44 HydrophobicContact CG-CD1 4.18Å; Y32-L44 HydrophobicContact CG-CD2 3.78Å; Y32-L44 HydrophobicContact CG-CG 3.67Å; Y32-N94 HydrophobicContact CD1-CB 4.29Å |
| 33 | R | 89.9 | Confident | 70 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 21% | 0.211 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.9 | 173.6 | -64.9 | -162.8 | 178.9 | -178.6 | -0.2 | 112.7 | I35 N38 Q39 F93 N94 | R33-I35 PolarHBondContact O-N 3.46Å; R33-N38 VanDerWaalsContact CD-OD1 3.24Å; R33-N38 WeakPolarHBondContact CD-OD1 3.26Å; R33-N38 PolarHBondContact NH1-OD1 2.76Å; R33-Q39 WeakPolarHBondContact CA-O 3.42Å; R33-F93 HydrophobicContact CB-CB 4.06Å; R33-F93 HydrophobicContact CB-CG 4.24Å; R33-F93 HydrophobicContact CG-CB 4.23Å; R33-F93 HydrophobicContact CG-CD1 4.11Å; R33-F93 HydrophobicContact CG-CG 4.18Å; R33-F93 VanDerWaalsContact CZ-CE1 3.49Å; R33-N94 PolarHBondContact N-OD1 3.3Å; R33-N94 PolarHBondContact O-ND2 2.83Å; R33-N94 PolarHBondContact O-OD1 3.18Å |
| 34 | C | 91.9 | Very high | 72.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -68 | 128.7 | 174.3 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | E36 N38 Q39 C58 V65 | C34-E36 PolarHBondContact O-N 2.83Å; C34-E36 PolarHBondContact SG-N 3.38Å; C34-N38 VanDerWaalsContact O-CA 3.26Å; C34-N38 WeakPolarHBondContact O-CA 3.44Å; C34-N38 PolarHBondContact O-N 2.69Å; C34-Q39 PolarHBondContact N-O 2.92Å; C34-C58 HydrophobicContact CB-CB 4.25Å; C34-V65 CarbonylContact C-O 3.58Å; C34-V65 VanDerWaalsContact CA-O 3.3Å; C34-V65 WeakPolarHBondContact CA-O 3.28Å; C34-V65 HydrophobicContact CB-CG1 4.49Å | ||
| 35 | I | 93.2 | Very high | 74.8 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.5 | -179.9 | 67 | 175.7 | 0 | 0 | 0 | 113.6 | R33 V65 D66 K67 Y68 Q86 R89 H90 | R33-I35 PolarHBondContact O-N 3.46Å; I35-V65 PolarHBondContact N-O 3.38Å; I35-D66 HydrophobicContact CG2-CB 4.01Å; I35-D66 VanDerWaalsContact CG2-CG 3.44Å; I35-K67 HydrophobicContact CD1-CD 4.3Å; I35-K67 HydrophobicContact CD1-CG 3.86Å; I35-Y68 HydrophobicContact CD1-CD2 3.84Å; I35-Y68 HydrophobicContact CD1-CE2 3.85Å; I35-Q86 HydrophobicContact CB-CB 4.25Å; I35-Q86 HydrophobicContact CD1-CB 4.29Å; I35-Q86 HydrophobicContact CG1-CB 4.45Å; I35-R89 HydrophobicContact CB-CB 4.35Å; I35-R89 HydrophobicContact CG2-CB 4.27Å; I35-R89 WeakPolarHBondContact O-CD 3.33Å; I35-R89 PolarHBondContact O-NH1 2.79Å; I35-H90 HydrophobicContact CG2-CB 4.22Å |
| 36 | E | 91.3 | Very high | 76.9 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -60.3 | -179.5 | -61.3 | -70.1 | -172.5 | 0 | 0 | 111.9 | C34 K63 Q86 R89 | C34-E36 PolarHBondContact O-N 2.83Å; C34-E36 PolarHBondContact SG-N 3.38Å; E36-K63 HydrophobicContact CB-CD 4.29Å; E36-K63 HydrophobicContact CG-CB 4.1Å; E36-K63 HydrophobicContact CG-CD 3.75Å; E36-Q86 PolarHBondContact OE1-NE2 3.45Å; E36-Q86 PolarHBondContact OE2-NE2 2.92Å; E36-R89 PolarHBondContact O-NH1 3.3Å |
| 37 | C | 89.4 | Confident | 79 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -1.4 | -173.9 | 66.5 | 0 | 0 | 0 | 0 | 115.4 | Q39 C61 | C37-Q39 PolarHBondContact O-N 3.1Å; C37-Q39 VanDerWaalsContact O-N 3.1Å; C37-Q39 VanDerWaalsContact SG-CB 3.57Å; C37-C61 HydrophobicContact CB-CB 4.08Å; C37-C61 VanDerWaalsContact SG-SG 3.67Å |
| 38 | N | 88.1 | Confident | 80.7 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | trans | 59.8 | 13.9 | -177.1 | -179.3 | 60.7 | 0 | 0 | 0 | 114.5 | R33 C34 | R33-N38 VanDerWaalsContact CD-OD1 3.24Å; R33-N38 WeakPolarHBondContact CD-OD1 3.26Å; R33-N38 PolarHBondContact NH1-OD1 2.76Å; C34-N38 VanDerWaalsContact O-CA 3.26Å; C34-N38 WeakPolarHBondContact O-CA 3.44Å; C34-N38 PolarHBondContact O-N 2.69Å | ||
| 39 | Q | 87.8 | Confident | 81.6 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | trans | -72.3 | 141.5 | 173 | -169.8 | 58.4 | 34.3 | 0 | 0 | 110.9 | R33 C34 C37 | R33-Q39 WeakPolarHBondContact CA-O 3.42Å; C34-Q39 PolarHBondContact N-O 2.92Å; C37-Q39 PolarHBondContact O-N 3.1Å; C37-Q39 VanDerWaalsContact O-N 3.1Å; C37-Q39 VanDerWaalsContact SG-CB 3.57Å | ||
| 40 | E | 88.4 | Confident | 82.3 | Confident | 88 Ų | 88 | 75.8 Ų | 75.8 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 137.6 | 175.7 | -72 | 172.4 | -160.3 | 0 | 0 | 112 | C30 K172 | C30-E40 HydrophobicContact CB-CB 3.84Å; E40-K172 IonicContact OE1-NZ 2.72Å |
| 41 | A | 85.9 | Confident | 82.7 | Confident | 13 Ų | 13 | 76 Ų | 76 | 11% | 0.107 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C30 Y32 V65 | C30-A41 CarbonylContact C-O 3.53Å; C30-A41 WeakPolarHBondContact CA-O 3.09Å; Y32-A41 PolarHBondContact N-O 3.47Å; Y32-A41 PolarHBondContact O-N 3.13Å; A41-V65 HydrophobicContact CB-CG1 3.73Å; A41-V65 HydrophobicContact CB-CG2 4.26Å |
| 42 | K | 84.2 | Confident | 82.5 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -82.4 | -33.2 | -179.7 | -69.4 | -172.6 | 168.9 | -165.5 | 0 | 113.4 | A28 | A28-K42 HydrophobicContact CB-CD 4.25Š|
| 43 | E | 82.7 | Confident | 82.1 | Confident | 68 Ų | 68 | 77 Ų | 77 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | trans | -149.8 | 142.2 | -169.6 | 65.3 | -161.1 | 151.8 | 0 | 0 | 108.8 | R46 T56 | E43-R46 VanDerWaalsContact CD-NE 3.34Å; E43-R46 IonicContact OE1-CZ 3.22Å; E43-R46 IonicContact OE1-NE 3.82Å; E43-R46 PolarHBondContact OE1-NE 3.19Å; E43-R46 IonicContact OE1-NH2 2.69Å; E43-R46 PolarHBondContact OE1-NH2 3Å; E43-R46 WeakPolarHBondContact OE2-CG 3.37Å; E43-R46 IonicContact OE2-NE 2.62Å; E43-R46 PolarHBondContact OE2-NE 3Å; E43-T56 HydrophobicContact CG-CG2 3.96Å; E43-T56 WeakPolarHBondContact CG-OG1 3.43Å | ||
| 44 | L | 83 | Confident | 81.8 | Confident | 15 Ų | 15 | 80.5 Ų | 80.5 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -86.2 | -38.5 | 176.6 | -65.5 | 178.7 | 0 | 0 | 0 | 111.8 | Y32 T56 V65 D66 I69 N94 | Y32-L44 HydrophobicContact CD1-CD1 3.61Å; Y32-L44 HydrophobicContact CD1-CD2 3.9Å; Y32-L44 HydrophobicContact CD1-CG 3.65Å; Y32-L44 HydrophobicContact CD2-CG 4.07Å; Y32-L44 HydrophobicContact CE1-CD1 3.67Å; Y32-L44 HydrophobicContact CE1-CG 4.02Å; Y32-L44 HydrophobicContact CE2-CG 4.41Å; Y32-L44 HydrophobicContact CG-CD1 4.18Å; Y32-L44 HydrophobicContact CG-CD2 3.78Å; Y32-L44 HydrophobicContact CG-CG 3.67Å; L44-T56 PolarHBondContact O-N 3.08Å; L44-V65 HydrophobicContact CD2-CG1 3.77Å; L44-D66 HydrophobicContact CD2-CB 3.99Å; L44-I69 HydrophobicContact CB-CD1 4.37Å; L44-I69 HydrophobicContact CD1-CG2 4.03Å; L44-N94 HydrophobicContact CD1-CB 4.11Å; L44-N94 HydrophobicContact CD2-CB 4.36Å |
| 45 | Y | 81.5 | Confident | 81.5 | Confident | 129 Ų | 129 | 81.8 Ų | 81.8 | 51% | 0.506 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 163.1 | 178.3 | 60.9 | -94.4 | 0 | 0 | 0 | 110 | L53 K54 I69 | Y45-L53 HydrophobicContact CD2-CD2 3.39Å; Y45-L53 HydrophobicContact CE2-CD2 3.51Å; Y45-L53 HydrophobicContact CG-CD2 4.26Å; Y45-K54 CarbonylContact C-O 3.53Å; Y45-K54 VanDerWaalsContact CA-O 3.28Å; Y45-K54 WeakPolarHBondContact CA-O 3.49Å; Y45-I69 HydrophobicContact CD1-CD1 4.18Å |
| 46 | R | 78.8 | Confident | 81.3 | Confident | 109 Ų | 109 | 82.5 Ų | 82.5 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.8 | 163.6 | -70.7 | -175.7 | -174.5 | 142.5 | 8.5 | 109.7 | E43 Y48 L53 K54 | E43-R46 VanDerWaalsContact CD-NE 3.34Å; E43-R46 IonicContact OE1-CZ 3.22Å; E43-R46 IonicContact OE1-NE 3.82Å; E43-R46 PolarHBondContact OE1-NE 3.19Å; E43-R46 IonicContact OE1-NH2 2.69Å; E43-R46 PolarHBondContact OE1-NH2 3Å; E43-R46 WeakPolarHBondContact OE2-CG 3.37Å; E43-R46 IonicContact OE2-NE 2.62Å; E43-R46 PolarHBondContact OE2-NE 3Å; R46-Y48 HydrophobicContact CB-CD2 4.34Å; R46-Y48 HydrophobicContact CB-CE2 3.97Å; R46-L53 WeakPolarHBondContact O-CA 3.41Å; R46-K54 PolarHBondContact N-O 2.76Å; R46-K54 PolarHBondContact O-N 2.74Å |
| 47 | D | 77.8 | Confident | 81.2 | Confident | 95 Ų | 95 | 84.3 Ų | 84.3 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 126.7 | 164.9 | -167.2 | -13.1 | 0 | 0 | 0 | 108.7 | L53 | D47-L53 HydrophobicContact CB-CD2 4.17Å |
| 48 | Y | 76.6 | Confident | 81.3 | Confident | 119 Ų | 119 | 82.8 Ų | 82.8 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 84.5 | 174.5 | -75.6 | -93 | 0 | 0 | 0 | 109.6 | R46 H50 V52 K54 | R46-Y48 HydrophobicContact CB-CD2 4.34Å; R46-Y48 HydrophobicContact CB-CE2 3.97Å; Y48-H50 PolarHBondContact O-N 3.4Å; Y48-V52 PolarHBondContact N-O 3.18Å; Y48-K54 HydrophobicContact CD2-CB 4.18Å; Y48-K54 HydrophobicContact CE2-CB 3.95Å; Y48-K54 HydrophobicContact CE2-CD 4.06Å |
| 49 | N | 58.3 | Low | 81.4 | Confident | 158 Ų | 158 | 91 Ų | 91 | 85% | 0.845 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.3 | 13.1 | 165.4 | -82.1 | 9.1 | 0 | 0 | 0 | 121.4 | ||
| 50 | H | 69.7 | Low | 81.5 | Confident | 172 Ų | 172 | 89.8 Ų | 89.8 | 80% | 0.796 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.6 | 17.1 | -173 | -62.5 | -54.1 | 0 | 0 | 0 | 110.4 | Y48 V52 | Y48-H50 PolarHBondContact O-N 3.4Å; H50-V52 VanDerWaalsContact C-N 3.27Å; H50-V52 PolarHBondContact O-N 3.25Å |
| 51 | G | 70.3 | Confident | 81.7 | Confident | 59 Ų | 59 | 87.5 Ų | 87.5 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 10 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L53 | G51-L53 PolarHBondContact O-N 2.6Š|
| 52 | V | 75.5 | Confident | 81.9 | Confident | 92 Ų | 92 | 93.5 Ų | 93.5 | 56% | 0.558 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 94.1 | 177.5 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | Y48 H50 | Y48-V52 PolarHBondContact N-O 3.18Å; H50-V52 VanDerWaalsContact C-N 3.27Å; H50-V52 PolarHBondContact O-N 3.25Å |
| 53 | L | 79.5 | Confident | 82.3 | Confident | 106 Ų | 106 | 92.5 Ų | 92.5 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 127.3 | 170.3 | -66.2 | 163.4 | 0 | 0 | 0 | 109.7 | Y45 R46 D47 G51 | Y45-L53 HydrophobicContact CD2-CD2 3.39Å; Y45-L53 HydrophobicContact CE2-CD2 3.51Å; Y45-L53 HydrophobicContact CG-CD2 4.26Å; R46-L53 WeakPolarHBondContact O-CA 3.41Å; D47-L53 HydrophobicContact CB-CD2 4.17Å; G51-L53 PolarHBondContact O-N 2.6Å |
| 54 | K | 84.1 | Confident | 82.7 | Confident | 128 Ų | 128 | 91.4 Ų | 91.4 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.3 | 176.8 | -174.4 | 173.5 | -175.6 | 171.6 | 0 | 110.8 | Y45 R46 Y48 T56 | Y45-K54 CarbonylContact C-O 3.53Å; Y45-K54 VanDerWaalsContact CA-O 3.28Å; Y45-K54 WeakPolarHBondContact CA-O 3.49Å; R46-K54 PolarHBondContact N-O 2.76Å; R46-K54 PolarHBondContact O-N 2.74Å; Y48-K54 HydrophobicContact CD2-CB 4.18Å; Y48-K54 HydrophobicContact CE2-CB 3.95Å; Y48-K54 HydrophobicContact CE2-CD 4.06Å; K54-T56 PolarHBondContact O-N 3.04Å |
| 55 | I | 86.3 | Confident | 83.1 | Confident | 27 Ų | 27 | 90.9 Ų | 90.9 | 14% | 0.138 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 133.2 | 174.7 | -63.6 | 164.5 | 0 | 0 | 0 | 110.4 | P64 D66 I69 E70 | I55-P64 HydrophobicContact CG2-CB 3.55Å; I55-D66 WeakPolarHBondContact CG2-O 3.32Å; I55-I69 HydrophobicContact CG1-CD1 4Å; I55-I69 HydrophobicContact CG1-CG1 4.36Å; I55-E70 VanDerWaalsContact CD1-CD 3.41Å; I55-E70 HydrophobicContact CD1-CG 4.11Å; I55-E70 WeakPolarHBondContact CD1-OE1 3.26Å; I55-E70 WeakPolarHBondContact CG1-OE1 3.34Å |
| 56 | T | 87.9 | Confident | 83.6 | Confident | 17 Ų | 17 | 84.7 Ų | 84.7 | 10% | 0.104 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 136.5 | 176.8 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | E43 L44 K54 V65 | E43-T56 HydrophobicContact CG-CG2 3.96Å; E43-T56 WeakPolarHBondContact CG-OG1 3.43Å; L44-T56 PolarHBondContact O-N 3.08Å; K54-T56 PolarHBondContact O-N 3.04Å; T56-V65 HydrophobicContact CG2-CG2 4.23Å; T56-V65 WeakPolarHBondContact O-CB 3.49Å; T56-V65 VanDerWaalsContact O-CG2 3.26Å; T56-V65 WeakPolarHBondContact O-CG2 3.5Å; T56-V65 PolarHBondContact O-N 3.03Å |
| 57 | I | 90.1 | Very high | 84.2 | Confident | 87 Ų | 87 | 82 Ų | 82 | 45% | 0.446 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -86.5 | 133.5 | 176 | -56 | -55.8 | 0 | 0 | 0 | 110.3 | K59 | I57-K59 PolarHBondContact O-N 3.35Å |
| 58 | C | 90.9 | Very high | 84.9 | Confident | 9 Ų | 9 | 77.7 Ų | 77.7 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 120.7 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 111 | C34 S60 C61 Q62 K63 V65 | C34-C58 HydrophobicContact CB-CB 4.25Å; C58-S60 PolarHBondContact O-N 3.47Å; C58-S60 VanDerWaalsContact O-N 3.08Å; C58-C61 PolarHBondContact O-N 3.26Å; C58-Q62 WeakPolarHBondContact O-CA 3.19Å; C58-Q62 PolarHBondContact O-N 2.86Å; C58-K63 WeakPolarHBondContact CB-O 3.48Å; C58-K63 PolarHBondContact N-O 3.4Å; C58-V65 HydrophobicContact CB-CG2 3.92Å |
| 59 | K | 89.6 | Confident | 85.5 | Confident | 190 Ų | 190 | 75 Ų | 75 | 83% | 0.826 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.6 | 179.5 | -60.8 | -173 | 178.6 | -171.3 | 0 | 114.7 | I57 Q62 | I57-K59 PolarHBondContact O-N 3.35Å; K59-Q62 PolarHBondContact O-NE2 3.4Å |
| 60 | S | 90.4 | Very high | 86.9 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -41.6 | -176.6 | 163.2 | 0 | 0 | 0 | 0 | 113.4 | C58 | C58-S60 PolarHBondContact O-N 3.47Å; C58-S60 VanDerWaalsContact O-N 3.08Å |
| 61 | C | 91.8 | Very high | 88 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -0.7 | -174.3 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | C37 C58 K63 | C37-C61 HydrophobicContact CB-CB 4.08Å; C37-C61 VanDerWaalsContact SG-SG 3.67Å; C58-C61 PolarHBondContact O-N 3.26Å; C61-K63 PolarHBondContact O-N 2.88Å |
| 62 | Q | 91.3 | Very high | 89.1 | Confident | 139 Ų | 139 | 71.7 Ų | 71.7 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 55.5 | 21 | 178.7 | -56.7 | -60.7 | -30.6 | 0 | 0 | 115 | C58 K59 | C58-Q62 WeakPolarHBondContact O-CA 3.19Å; C58-Q62 PolarHBondContact O-N 2.86Å; K59-Q62 PolarHBondContact O-NE2 3.4Å |
| 63 | K | 91.8 | Very high | 89.8 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -104.6 | 159.4 | 172.6 | -68.9 | 178.3 | -179.4 | -174.9 | 0 | 110.4 | E36 C58 C61 V65 | E36-K63 HydrophobicContact CB-CD 4.29Å; E36-K63 HydrophobicContact CG-CB 4.1Å; E36-K63 HydrophobicContact CG-CD 3.75Å; C58-K63 WeakPolarHBondContact CB-O 3.48Å; C58-K63 PolarHBondContact N-O 3.4Å; C61-K63 PolarHBondContact O-N 2.88Å; K63-V65 PolarHBondContact O-N 2.97Å |
| 64 | P | 91.1 | Very high | 90.4 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -50.5 | 134.9 | 169.8 | 20 | -32.9 | 0 | 0 | 0 | 111.2 | I55 D66 | I55-P64 HydrophobicContact CG2-CB 3.55Å; P64-D66 VanDerWaalsContact C-N 3.32Å; P64-D66 PolarHBondContact O-N 2.88Å |
| 65 | V | 91.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -59.4 | -46.5 | -178.9 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | C34 I35 A41 L44 T56 C58 K63 | C34-V65 CarbonylContact C-O 3.58Å; C34-V65 VanDerWaalsContact CA-O 3.3Å; C34-V65 WeakPolarHBondContact CA-O 3.28Å; C34-V65 HydrophobicContact CB-CG1 4.49Å; I35-V65 PolarHBondContact N-O 3.38Å; A41-V65 HydrophobicContact CB-CG1 3.73Å; A41-V65 HydrophobicContact CB-CG2 4.26Å; L44-V65 HydrophobicContact CD2-CG1 3.77Å; T56-V65 HydrophobicContact CG2-CG2 4.23Å; T56-V65 WeakPolarHBondContact O-CB 3.49Å; T56-V65 VanDerWaalsContact O-CG2 3.26Å; T56-V65 WeakPolarHBondContact O-CG2 3.5Å; T56-V65 PolarHBondContact O-N 3.03Å; C58-V65 HydrophobicContact CB-CG2 3.92Å; K63-V65 PolarHBondContact O-N 2.97Å |
| 66 | D | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -149.3 | 127.3 | 172.2 | -161.6 | -21 | 0 | 0 | 0 | 110 | I35 L44 I55 P64 Y68 I69 H90 N94 | I35-D66 HydrophobicContact CG2-CB 4.01Å; I35-D66 VanDerWaalsContact CG2-CG 3.44Å; L44-D66 HydrophobicContact CD2-CB 3.99Å; I55-D66 WeakPolarHBondContact CG2-O 3.32Å; P64-D66 VanDerWaalsContact C-N 3.32Å; P64-D66 PolarHBondContact O-N 2.88Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.14Å; D66-Y68 PolarHBondContact OD1-N 2.76Å; D66-I69 HydrophobicContact CB-CG2 4.17Å; D66-H90 IonicContact OD1-ND1 3.9Å; D66-H90 PolarHBondContact OD1-ND1 3.26Å; D66-H90 IonicContact OD2-CE1 3.78Å; D66-H90 IonicContact OD2-CG 3.79Å; D66-H90 IonicContact OD2-ND1 2.66Å; D66-H90 PolarHBondContact OD2-ND1 3.28Å; D66-N94 WeakPolarHBondContact OD2-CB 3.32Å; D66-N94 PolarHBondContact OD2-ND2 3.43Å | ||
| 67 | K | 91.4 | Very high | 91.4 | Very high | 52 Ų | 52 | 71.8 Ų | 71.8 | 23% | 0.226 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -96.8 | -16.6 | 176.5 | 71.9 | -169.7 | 172.3 | -169.8 | 0 | 112.8 | I35 I69 E70 Y71 | I35-K67 HydrophobicContact CD1-CD 4.3Å; I35-K67 HydrophobicContact CD1-CG 3.86Å; K67-I69 PolarHBondContact O-N 2.88Å; K67-E70 PolarHBondContact O-N 2.73Å; K67-Y71 HydrophobicContact CG-CE2 4.39Å |
| 68 | Y | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -76.1 | -11.4 | -175.3 | -68.3 | -73.4 | 0 | 0 | 0 | 112.6 | I35 D66 E70 Y71 I76 N79 Q86 H90 | I35-Y68 HydrophobicContact CD1-CD2 3.84Å; I35-Y68 HydrophobicContact CD1-CE2 3.85Å; D66-Y68 WeakPolarHBondContact OD1-CB 3.14Å; D66-Y68 PolarHBondContact OD1-N 2.76Å; Y68-E70 PolarHBondContact O-N 3.49Å; Y68-Y71 AromaticContact CD1-CD2 3.47Å; Y68-Y71 HydrophobicContact CD1-CD2 3.47Å; Y68-Y71 VanDerWaalsContact CD1-CD2 3.47Å; Y68-Y71 HydrophobicContact CD1-CE2 4.03Å; Y68-Y71 HydrophobicContact CD1-CG 4.24Å; Y68-Y71 AromaticContact CE1-CD2 3.81Å; Y68-Y71 HydrophobicContact CE1-CD2 3.81Å; Y68-Y71 HydrophobicContact CE1-CE2 4.02Å; Y68-Y71 HydrophobicContact CG-CD2 4.46Å; Y68-Y71 PolarHBondContact O-N 2.91Å; Y68-Y71 VanDerWaalsContact O-N 3.08Å; Y68-I76 HydrophobicContact CD1-CG1 3.98Å; Y68-I76 HydrophobicContact CG-CG1 4.47Å; Y68-N79 HydrophobicContact CE1-CB 4.23Å; Y68-Q86 HydrophobicContact CE2-CB 3.7Å; Y68-H90 HydrophobicContact CD2-CB 3.87Å; Y68-H90 HydrophobicContact CG-CB 4.3Å |
| 69 | I | 88.9 | Confident | 91.8 | Very high | 63 Ų | 63 | 72.1 Ų | 72.1 | 32% | 0.323 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -63.3 | -23 | 174.3 | 71.9 | 176.5 | 0 | 0 | 0 | 113.1 | L44 Y45 I55 D66 K67 | L44-I69 HydrophobicContact CB-CD1 4.37Å; L44-I69 HydrophobicContact CD1-CG2 4.03Å; Y45-I69 HydrophobicContact CD1-CD1 4.18Å; I55-I69 HydrophobicContact CG1-CD1 4Å; I55-I69 HydrophobicContact CG1-CG1 4.36Å; D66-I69 HydrophobicContact CB-CG2 4.17Å; K67-I69 PolarHBondContact O-N 2.88Å |
| 70 | E | 89.8 | Confident | 91.9 | Very high | 134 Ų | 134 | 63.2 Ų | 63.2 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -95.4 | -8.3 | 176.1 | -62.9 | 176.8 | 171.7 | 0 | 0 | 112.5 | I55 K67 Y68 | I55-E70 VanDerWaalsContact CD1-CD 3.41Å; I55-E70 HydrophobicContact CD1-CG 4.11Å; I55-E70 WeakPolarHBondContact CD1-OE1 3.26Å; I55-E70 WeakPolarHBondContact CG1-OE1 3.34Å; K67-E70 PolarHBondContact O-N 2.73Å; Y68-E70 PolarHBondContact O-N 3.49Å |
| 71 | Y | 91.9 | Very high | 92 | Very high | 95 Ų | 95 | 62.6 Ų | 62.6 | 37% | 0.373 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -94.5 | 143.4 | -173.2 | -72 | 10 | 0 | 0 | 0 | 110.8 | K67 Y68 I75 | K67-Y71 HydrophobicContact CG-CE2 4.39Å; Y68-Y71 AromaticContact CD1-CD2 3.47Å; Y68-Y71 HydrophobicContact CD1-CD2 3.47Å; Y68-Y71 VanDerWaalsContact CD1-CD2 3.47Å; Y68-Y71 HydrophobicContact CD1-CE2 4.03Å; Y68-Y71 HydrophobicContact CD1-CG 4.24Å; Y68-Y71 AromaticContact CE1-CD2 3.81Å; Y68-Y71 HydrophobicContact CE1-CD2 3.81Å; Y68-Y71 HydrophobicContact CE1-CE2 4.02Å; Y68-Y71 HydrophobicContact CG-CD2 4.46Å; Y68-Y71 PolarHBondContact O-N 2.91Å; Y68-Y71 VanDerWaalsContact O-N 3.08Å; Y71-I75 HydrophobicContact CD2-CG2 3.72Å; Y71-I75 HydrophobicContact CE2-CG2 4.37Å; Y71-I75 HydrophobicContact CG-CG2 4.38Å |
| 72 | D | 92.6 | Very high | 92.1 | Very high | 91 Ų | 91 | 65.7 Ų | 65.7 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | trans | -59.4 | 139 | 171.3 | -173.9 | -78.5 | 0 | 0 | 0 | 111.1 | V74 I75 I76 | D72-V74 PolarHBondContact O-N 2.92Å; D72-V74 VanDerWaalsContact OD1-CB 3.26Å; D72-V74 WeakPolarHBondContact OD1-CB 3.46Å; D72-V74 VanDerWaalsContact OD1-CG2 3.3Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.5Å; D72-V74 PolarHBondContact OD1-N 3.3Å; D72-I75 HydrophobicContact CB-CD1 4.37Å; D72-I75 HydrophobicContact CB-CG1 4.44Å; D72-I75 WeakPolarHBondContact O-CB 3.47Å; D72-I75 PolarHBondContact O-N 3.31Å; D72-I76 PolarHBondContact O-N 2.97Å | ||
| 73 | P | 90.5 | Very high | 92.1 | Very high | 95 Ų | 95 | 60 Ų | 60 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -49.2 | -30.3 | 176.6 | -30.6 | 36.9 | 0 | 0 | 0 | 115.6 | I76 L77 | P73-I76 WeakPolarHBondContact O-CB 3.36Å; P73-I76 PolarHBondContact O-N 3.03Å; P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 PolarHBondContact O-N 3.49Å |
| 74 | V | 93.1 | Very high | 92.2 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | D72 I76 L77 I78 | D72-V74 PolarHBondContact O-N 2.92Å; D72-V74 VanDerWaalsContact OD1-CB 3.26Å; D72-V74 WeakPolarHBondContact OD1-CB 3.46Å; D72-V74 VanDerWaalsContact OD1-CG2 3.3Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.5Å; D72-V74 PolarHBondContact OD1-N 3.3Å; V74-I76 VanDerWaalsContact C-N 3.32Å; V74-I76 PolarHBondContact O-N 3.04Å; V74-L77 PolarHBondContact O-N 2.68Å; V74-I78 HydrophobicContact CG1-CD1 4.04Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.28Å; V74-I78 PolarHBondContact O-N 3.09Å |
| 75 | I | 94.4 | Very high | 92.2 | Very high | 77 Ų | 77 | 58 Ų | 58 | 40% | 0.395 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.2 | -59.3 | 174.1 | 0 | 0 | 0 | 109.9 | Y71 D72 N79 | Y71-I75 HydrophobicContact CD2-CG2 3.72Å; Y71-I75 HydrophobicContact CE2-CG2 4.37Å; Y71-I75 HydrophobicContact CG-CG2 4.38Å; D72-I75 HydrophobicContact CB-CD1 4.37Å; D72-I75 HydrophobicContact CB-CG1 4.44Å; D72-I75 WeakPolarHBondContact O-CB 3.47Å; D72-I75 PolarHBondContact O-N 3.31Å; I75-N79 WeakPolarHBondContact CG2-ND2 3.37Å; I75-N79 WeakPolarHBondContact O-CB 3.48Å; I75-N79 PolarHBondContact O-N 2.86Å; I75-N79 PolarHBondContact O-ND2 3.25Å |
| 76 | I | 93.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.3 | -55.3 | 174.9 | 0 | 0 | 0 | 110.1 | Y68 D72 P73 V74 N79 A80 I91 | Y68-I76 HydrophobicContact CD1-CG1 3.98Å; Y68-I76 HydrophobicContact CG-CG1 4.47Å; D72-I76 PolarHBondContact O-N 2.97Å; P73-I76 WeakPolarHBondContact O-CB 3.36Å; P73-I76 PolarHBondContact O-N 3.03Å; V74-I76 VanDerWaalsContact C-N 3.32Å; V74-I76 PolarHBondContact O-N 3.04Å; I76-N79 PolarHBondContact O-N 3.34Å; I76-A80 PolarHBondContact O-N 2.78Å; I76-I91 HydrophobicContact CG2-CD1 4.05Å; I76-I91 HydrophobicContact CG2-CG1 3.93Å |
| 77 | L | 91.2 | Very high | 92.4 | Very high | 93 Ų | 93 | 60 Ų | 60 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 176.7 | 178.6 | 61.6 | 0 | 0 | 0 | 112.1 | P73 V74 N79 A80 I81 | P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 PolarHBondContact O-N 3.49Å; V74-L77 PolarHBondContact O-N 2.68Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 2.91Å; L77-A80 WeakPolarHBondContact O-CA 3.46Å; L77-A80 WeakPolarHBondContact O-CB 3.42Å; L77-A80 PolarHBondContact O-N 3.04Å; L77-A80 VanDerWaalsContact O-N 3.09Å; L77-I81 HydrophobicContact CD1-CD1 4.17Å; L77-I81 HydrophobicContact CD1-CG1 4.38Å; L77-I81 HydrophobicContact CG-CD1 3.97Å; L77-I81 WeakPolarHBondContact O-CG1 3.3Å; L77-I81 PolarHBondContact O-N 3.37Å |
| 78 | I | 94 | Very high | 92.4 | Very high | 86 Ų | 86 | 57.8 Ų | 57.8 | 44% | 0.441 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 175.5 | -68.3 | 163.4 | 0 | 0 | 0 | 110.6 | V74 A80 I81 L82 | V74-I78 HydrophobicContact CG1-CD1 4.04Å; V74-I78 VanDerWaalsContact O-CG1 3.3Å; V74-I78 WeakPolarHBondContact O-CG1 3.28Å; V74-I78 PolarHBondContact O-N 3.09Å; I78-A80 VanDerWaalsContact C-N 3.31Å; I78-A80 PolarHBondContact O-N 3.4Å; I78-I81 PolarHBondContact O-N 3.06Å; I78-L82 HydrophobicContact CG2-CD1 4.08Å; I78-L82 WeakPolarHBondContact O-CB 3.24Å; I78-L82 VanDerWaalsContact O-CG 3.32Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.32Å |
| 79 | N | 94.8 | Very high | 92.4 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.2 | -27.6 | 177.6 | -73.7 | -64.7 | 0 | 0 | 0 | 113.1 | Y68 I75 I76 L77 K84 A87 | Y68-N79 HydrophobicContact CE1-CB 4.23Å; I75-N79 WeakPolarHBondContact CG2-ND2 3.37Å; I75-N79 WeakPolarHBondContact O-CB 3.48Å; I75-N79 PolarHBondContact O-N 2.86Å; I75-N79 PolarHBondContact O-ND2 3.25Å; I76-N79 PolarHBondContact O-N 3.34Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 2.91Å; N79-K84 HydrophobicContact CB-CD 4.25Å; N79-K84 WeakPolarHBondContact O-CB 3.49Å; N79-K84 PolarHBondContact O-N 3.43Å; N79-K84 VanDerWaalsContact OD1-CD 3.26Å; N79-K84 WeakPolarHBondContact OD1-CD 3.45Å; N79-K84 WeakPolarHBondContact OD1-CE 3.3Å; N79-K84 PolarHBondContact OD1-NZ 2.86Å; N79-A87 HydrophobicContact CB-CB 3.9Å |
| 80 | A | 92.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I76 L77 I78 L82 C83 A87 Y88 I91 Y188 | I76-A80 PolarHBondContact O-N 2.78Å; L77-A80 WeakPolarHBondContact O-CA 3.46Å; L77-A80 WeakPolarHBondContact O-CB 3.42Å; L77-A80 PolarHBondContact O-N 3.04Å; L77-A80 VanDerWaalsContact O-N 3.09Å; I78-A80 VanDerWaalsContact C-N 3.31Å; I78-A80 PolarHBondContact O-N 3.4Å; A80-L82 VanDerWaalsContact C-N 3.28Å; A80-L82 PolarHBondContact O-N 3.02Å; A80-C83 VanDerWaalsContact O-CA 3.28Å; A80-C83 WeakPolarHBondContact O-CA 3.26Å; A80-C83 PolarHBondContact O-N 2.9Å; A80-A87 HydrophobicContact CB-CB 4.45Å; A80-Y88 HydrophobicContact CB-CE2 4.38Å; A80-Y88 VanDerWaalsContact O-CE2 3.31Å; A80-Y88 WeakPolarHBondContact O-CE2 3.27Å; A80-Y88 PolarHBondContact O-OH 3.42Å; A80-I91 HydrophobicContact CB-CD1 3.94Å; A80-Y188 PolarHBondContact O-OH 3.08Å |
| 81 | I | 91.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 174.8 | -66.5 | 164.4 | 0 | 0 | 0 | 111.1 | L77 I78 C83 Y188 F214 | L77-I81 HydrophobicContact CD1-CD1 4.17Å; L77-I81 HydrophobicContact CD1-CG1 4.38Å; L77-I81 HydrophobicContact CG-CD1 3.97Å; L77-I81 WeakPolarHBondContact O-CG1 3.3Å; L77-I81 PolarHBondContact O-N 3.37Å; I78-I81 PolarHBondContact O-N 3.06Å; I81-C83 PolarHBondContact O-N 3.16Å; I81-Y188 HydrophobicContact CG1-CE2 3.92Å; I81-Y188 PolarHBondContact N-OH 2.87Å; I81-F214 HydrophobicContact CB-CZ 4.48Å; I81-F214 HydrophobicContact CG2-CZ 4.2Å; I81-F214 WeakPolarHBondContact O-CE2 3.29Å |
| 82 | L | 93.4 | Very high | 92.6 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 13.6 | 170.6 | -66.7 | 173 | 0 | 0 | 0 | 113.7 | I78 A80 K84 | I78-L82 HydrophobicContact CG2-CD1 4.08Å; I78-L82 WeakPolarHBondContact O-CB 3.24Å; I78-L82 VanDerWaalsContact O-CG 3.32Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.32Å; A80-L82 VanDerWaalsContact C-N 3.28Å; A80-L82 PolarHBondContact O-N 3.02Å; L82-K84 HydrophobicContact CB-CG 4.12Å; L82-K84 PolarHBondContact O-N 3.48Å |
| 83 | C | 91.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 14% | 0.142 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 29.5 | -177.9 | -72.5 | 0 | 0 | 0 | 0 | 114 | A80 I81 A85 Q221 | A80-C83 VanDerWaalsContact O-CA 3.28Å; A80-C83 WeakPolarHBondContact O-CA 3.26Å; A80-C83 PolarHBondContact O-N 2.9Å; I81-C83 PolarHBondContact O-N 3.16Å; C83-A85 PolarHBondContact O-N 2.84Å; C83-Q221 PolarHBondContact O-NE2 3.01Å |
| 84 | K | 93.9 | Very high | 92.3 | Very high | 91 Ų | 91 | 41.1 Ų | 41.1 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | trans | -75 | 120.9 | -176.1 | -64.8 | -172.8 | -169.8 | 166 | 0 | 111 | N79 L82 Q86 A87 Y88 | N79-K84 HydrophobicContact CB-CD 4.25Å; N79-K84 WeakPolarHBondContact O-CB 3.49Å; N79-K84 PolarHBondContact O-N 3.43Å; N79-K84 VanDerWaalsContact OD1-CD 3.26Å; N79-K84 WeakPolarHBondContact OD1-CD 3.45Å; N79-K84 WeakPolarHBondContact OD1-CE 3.3Å; N79-K84 PolarHBondContact OD1-NZ 2.86Å; L82-K84 HydrophobicContact CB-CG 4.12Å; L82-K84 PolarHBondContact O-N 3.48Å; K84-Q86 PolarHBondContact O-N 2.93Å; K84-A87 PolarHBondContact O-N 3.25Å; K84-Y88 WeakPolarHBondContact O-CD2 3.38Å; K84-Y88 PolarHBondContact O-N 2.99Å | ||
| 85 | A | 91.9 | Very high | 92 | Very high | 18 Ų | 18 | 39 Ų | 39 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -52.9 | -33.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | C83 Y88 R89 V225 | C83-A85 PolarHBondContact O-N 2.84Å; A85-Y88 PolarHBondContact O-N 3.45Å; A85-R89 WeakPolarHBondContact O-CG 3.47Å; A85-R89 PolarHBondContact O-N 3.42Å; A85-R89 VanDerWaalsContact O-N 3.09Å; A85-V225 HydrophobicContact CB-CG2 3.84Å |
| 86 | Q | 93.1 | Very high | 91.2 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 20% | 0.201 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.9 | -55.8 | 175.1 | -15.1 | 0 | 0 | 112 | I35 E36 Y68 K84 R89 H90 | I35-Q86 HydrophobicContact CB-CB 4.25Å; I35-Q86 HydrophobicContact CD1-CB 4.29Å; I35-Q86 HydrophobicContact CG1-CB 4.45Å; E36-Q86 PolarHBondContact OE1-NE2 3.45Å; E36-Q86 PolarHBondContact OE2-NE2 2.92Å; Y68-Q86 HydrophobicContact CE2-CB 3.7Å; K84-Q86 PolarHBondContact O-N 2.93Å; Q86-R89 PolarHBondContact O-N 3.48Å; Q86-H90 PolarHBondContact O-N 3.18Å |
| 87 | A | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N79 A80 K84 R89 H90 I91 | N79-A87 HydrophobicContact CB-CB 3.9Å; A80-A87 HydrophobicContact CB-CB 4.45Å; K84-A87 PolarHBondContact O-N 3.25Å; A87-R89 VanDerWaalsContact C-N 3.26Å; A87-R89 PolarHBondContact O-N 3.46Å; A87-H90 PolarHBondContact O-N 3.13Å; A87-I91 WeakPolarHBondContact O-CD1 3.38Å; A87-I91 VanDerWaalsContact O-CG1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.38Å; A87-I91 PolarHBondContact O-N 3.01Å |
| 88 | Y | 91.8 | Very high | 89.6 | Confident | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | 174.3 | -75.3 | -110.1 | 0 | 0 | 0 | 111.7 | A80 K84 A85 L92 Y188 S218 Q221 A222 | A80-Y88 HydrophobicContact CB-CE2 4.38Å; A80-Y88 VanDerWaalsContact O-CE2 3.31Å; A80-Y88 WeakPolarHBondContact O-CE2 3.27Å; A80-Y88 PolarHBondContact O-OH 3.42Å; K84-Y88 WeakPolarHBondContact O-CD2 3.38Å; K84-Y88 PolarHBondContact O-N 2.99Å; A85-Y88 PolarHBondContact O-N 3.45Å; Y88-L92 WeakPolarHBondContact O-CB 3.27Å; Y88-L92 PolarHBondContact O-N 3.37Å; Y88-Y188 PolarHBondContact OH-OH 3.13Å; Y88-S218 PolarHBondContact OH-OG 2.91Å; Y88-Q221 HydrophobicContact CD2-CG 4.24Å; Y88-Q221 HydrophobicContact CE2-CG 4.29Å; Y88-Q221 HydrophobicContact CG-CG 4.45Å; Y88-A222 HydrophobicContact CD1-CB 4.15Å; Y88-A222 HydrophobicContact CE1-CB 4.21Å |
| 89 | R | 92.2 | Very high | 89.1 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 13% | 0.125 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -44.7 | 176.1 | -73.7 | 169.3 | -179.9 | 159.2 | -8.1 | 112.4 | I35 E36 A85 Q86 A87 F93 V225 | I35-R89 HydrophobicContact CB-CB 4.35Å; I35-R89 HydrophobicContact CG2-CB 4.27Å; I35-R89 WeakPolarHBondContact O-CD 3.33Å; I35-R89 PolarHBondContact O-NH1 2.79Å; E36-R89 PolarHBondContact O-NH1 3.3Å; A85-R89 WeakPolarHBondContact O-CG 3.47Å; A85-R89 PolarHBondContact O-N 3.42Å; A85-R89 VanDerWaalsContact O-N 3.09Å; Q86-R89 PolarHBondContact O-N 3.48Å; A87-R89 VanDerWaalsContact C-N 3.26Å; A87-R89 PolarHBondContact O-N 3.46Å; R89-F93 HydrophobicContact CB-CD2 4.38Å; R89-F93 HydrophobicContact CG-CD2 4.45Å; R89-F93 WeakPolarHBondContact O-CB 3.34Å; R89-F93 PolarHBondContact O-N 2.86Å; R89-V225 HydrophobicContact CB-CG1 4.47Å; R89-V225 HydrophobicContact CG-CG1 3.46Å; R89-V225 VanDerWaalsContact CG-CG1 3.46Å |
| 90 | H | 93.2 | Very high | 88.5 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -56 | -54.9 | 173.7 | 172.5 | 75.6 | 0 | 0 | 0 | 111 | I35 D66 Y68 Q86 A87 L92 N94 T95 | I35-H90 HydrophobicContact CG2-CB 4.22Å; D66-H90 IonicContact OD1-ND1 3.9Å; D66-H90 PolarHBondContact OD1-ND1 3.26Å; D66-H90 IonicContact OD2-CE1 3.78Å; D66-H90 IonicContact OD2-CG 3.79Å; D66-H90 IonicContact OD2-ND1 2.66Å; D66-H90 PolarHBondContact OD2-ND1 3.28Å; Y68-H90 HydrophobicContact CD2-CB 3.87Å; Y68-H90 HydrophobicContact CG-CB 4.3Å; Q86-H90 PolarHBondContact O-N 3.18Å; A87-H90 PolarHBondContact O-N 3.13Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.49Å; H90-N94 CarbonylContact O-C 3.51Å; H90-N94 WeakPolarHBondContact O-CA 3.3Å; H90-N94 PolarHBondContact O-N 2.79Å; H90-T95 PolarHBondContact CD2-OG1 2.91Å; H90-T95 PolarHBondContact NE2-OG1 3.32Å; H90-T95 PolarHBondContact O-N 2.93Å; H90-T95 PolarHBondContact O-OG1 2.89Å |
| 91 | I | 91.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -63.1 | -38.6 | -175.7 | -61.3 | 163 | 0 | 0 | 0 | 112 | I76 A80 A87 I97 L185 | I76-I91 HydrophobicContact CG2-CD1 4.05Å; I76-I91 HydrophobicContact CG2-CG1 3.93Å; A80-I91 HydrophobicContact CB-CD1 3.94Å; A87-I91 WeakPolarHBondContact O-CD1 3.38Å; A87-I91 VanDerWaalsContact O-CG1 3.24Å; A87-I91 WeakPolarHBondContact O-CG1 3.38Å; A87-I91 PolarHBondContact O-N 3.01Å; I91-I97 HydrophobicContact CG2-CD1 3.59Å; I91-I97 HydrophobicContact CG2-CG1 4.44Å; I91-L185 HydrophobicContact CB-CD2 4.19Å; I91-L185 HydrophobicContact CG2-CD1 4.15Å; I91-L185 HydrophobicContact CG2-CD2 3.43Å; I91-L185 VanDerWaalsContact CG2-CD2 3.43Å; I91-L185 HydrophobicContact CG2-CG 4.44Å |
| 92 | L | 89 | Confident | 87.9 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -86.7 | -33.6 | -173.2 | -174.6 | 63.7 | 0 | 0 | 0 | 114.5 | Y88 H90 L178 K181 A182 T226 | Y88-L92 WeakPolarHBondContact O-CB 3.27Å; Y88-L92 PolarHBondContact O-N 3.37Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.49Å; L92-L178 HydrophobicContact CD1-CD1 3.68Å; L92-L178 HydrophobicContact CD1-CG 4.09Å; L92-L178 HydrophobicContact CD2-CG 4.32Å; L92-L178 HydrophobicContact CG-CD1 3.85Å; L92-L178 HydrophobicContact CG-CG 4.17Å; L92-K181 HydrophobicContact CD1-CB 4.39Å; L92-A182 HydrophobicContact CD1-CB 3.82Å; L92-A182 HydrophobicContact CD2-CB 3.75Å; L92-A182 HydrophobicContact CG-CB 4.45Å; L92-T226 HydrophobicContact CD2-CG2 3.99Å; L92-T226 WeakPolarHBondContact CD2-OG1 3.41Å |
| 93 | F | 88.1 | Confident | 87.7 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -112.5 | -29.6 | -173 | -64 | -77.9 | 0 | 0 | 0 | 114.2 | R33 R89 L178 V225 | R33-F93 HydrophobicContact CB-CB 4.06Å; R33-F93 HydrophobicContact CB-CG 4.24Å; R33-F93 HydrophobicContact CG-CB 4.23Å; R33-F93 HydrophobicContact CG-CD1 4.11Å; R33-F93 HydrophobicContact CG-CG 4.18Å; R33-F93 VanDerWaalsContact CZ-CE1 3.49Å; R89-F93 HydrophobicContact CB-CD2 4.38Å; R89-F93 HydrophobicContact CG-CD2 4.45Å; R89-F93 WeakPolarHBondContact O-CB 3.34Å; R89-F93 PolarHBondContact O-N 2.86Å; F93-L178 HydrophobicContact CD1-CD2 4.17Å; F93-L178 HydrophobicContact CE1-CD2 3.4Å; F93-L178 VanDerWaalsContact CE1-CD2 3.4Å; F93-L178 HydrophobicContact CZ-CD2 3.93Å; F93-V225 HydrophobicContact CE2-CG1 4.4Å |
| 94 | N | 89.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -110 | -13.1 | -172.6 | -60.3 | -19.3 | 0 | 0 | 0 | 113.2 | Y32 R33 L44 D66 H90 | Y32-N94 HydrophobicContact CD1-CB 4.29Å; R33-N94 PolarHBondContact N-OD1 3.3Å; R33-N94 PolarHBondContact O-ND2 2.83Å; R33-N94 PolarHBondContact O-OD1 3.18Å; L44-N94 HydrophobicContact CD1-CB 4.11Å; L44-N94 HydrophobicContact CD2-CB 4.36Å; D66-N94 WeakPolarHBondContact OD2-CB 3.32Å; D66-N94 PolarHBondContact OD2-ND2 3.43Å; H90-N94 CarbonylContact O-C 3.51Å; H90-N94 WeakPolarHBondContact O-CA 3.3Å; H90-N94 PolarHBondContact O-N 2.79Å |
| 95 | T | 87.1 | Confident | 87.4 | Confident | 46 Ų | 46 | 49.8 Ų | 49.8 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -108.8 | 133.5 | 178.1 | -41.5 | 0 | 0 | 0 | 0 | 111 | H90 I97 | H90-T95 PolarHBondContact CD2-OG1 2.91Å; H90-T95 PolarHBondContact NE2-OG1 3.32Å; H90-T95 PolarHBondContact O-N 2.93Å; H90-T95 PolarHBondContact O-OG1 2.89Å; T95-I97 HydrophobicContact CG2-CD1 4.08Å; T95-I97 HydrophobicContact CG2-CG1 3.55Å; T95-I97 PolarHBondContact O-N 3.21Å |
| 96 | Q | 78.6 | Confident | 87.4 | Confident | 157 Ų | 157 | 54.8 Ų | 54.8 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | trans | -88.2 | 77.3 | 173.8 | -67.5 | -66.3 | -6.8 | 0 | 0 | 111 | ||||
| 97 | I | 74.8 | Confident | 87.4 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | trans | -85.3 | 125.1 | 176.9 | -57.7 | -156.2 | 0 | 0 | 0 | 110.4 | I91 T95 I99 H100 | I91-I97 HydrophobicContact CG2-CD1 3.59Å; I91-I97 HydrophobicContact CG2-CG1 4.44Å; T95-I97 HydrophobicContact CG2-CD1 4.08Å; T95-I97 HydrophobicContact CG2-CG1 3.55Å; T95-I97 PolarHBondContact O-N 3.21Å; I97-I99 HydrophobicContact CG2-CD1 4.37Å; I97-I99 HydrophobicContact CG2-CG1 3.42Å; I97-I99 VanDerWaalsContact CG2-CG1 3.42Å; I97-H100 PolarHBondContact O-CD2 2.97Å; I97-H100 PolarHBondContact O-NE2 3.09Å; I97-H100 VanDerWaalsContact O-NE2 3.08Å | ||
| 98 | N | 76.2 | Confident | 87.3 | Confident | 154 Ų | 154 | 53.8 Ų | 53.8 | 82% | 0.824 | 28% | 0.275 | S | S | * | . | trans | -107.3 | -2.5 | 174.5 | -159.1 | 26.4 | 0 | 0 | 0 | 113.6 | H100 | N98-H100 VanDerWaalsContact C-N 3.32Å; N98-H100 PolarHBondContact O-N 3.05Å | ||
| 99 | I | 81.9 | Confident | 87.3 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 1.9 | -177.5 | 58.8 | 163 | 0 | 0 | 0 | 114.7 | I97 G101 K102 L103 | I97-I99 HydrophobicContact CG2-CD1 4.37Å; I97-I99 HydrophobicContact CG2-CG1 3.42Å; I97-I99 VanDerWaalsContact CG2-CG1 3.42Å; I99-G101 VanDerWaalsContact C-N 3.3Å; I99-G101 PolarHBondContact O-N 2.98Å; I99-K102 PolarHBondContact O-N 3.22Å; I99-K102 VanDerWaalsContact O-N 3.12Å; I99-L103 WeakPolarHBondContact O-CB 3.3Å; I99-L103 PolarHBondContact O-N 2.89Å |
| 100 | H | 82.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.2 | -41.8 | -176.4 | -57.7 | -71.3 | 0 | 0 | 0 | 113.9 | I97 N98 C104 | I97-H100 PolarHBondContact O-CD2 2.97Å; I97-H100 PolarHBondContact O-NE2 3.09Å; I97-H100 VanDerWaalsContact O-NE2 3.08Å; N98-H100 VanDerWaalsContact C-N 3.32Å; N98-H100 PolarHBondContact O-N 3.05Å; H100-C104 PolarHBondContact O-N 3.14Å |
| 101 | G | 83.3 | Confident | 87.1 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I99 C104 I105 | I99-G101 VanDerWaalsContact C-N 3.3Å; I99-G101 PolarHBondContact O-N 2.98Å; G101-C104 WeakPolarHBondContact O-CB 3.26Å; G101-C104 PolarHBondContact O-N 3.39Å; G101-I105 WeakPolarHBondContact O-CG1 3.3Å; G101-I105 PolarHBondContact O-N 3.43Å; G101-I105 VanDerWaalsContact O-N 3.13Å |
| 102 | K | 88.7 | Confident | 87.2 | Confident | 146 Ų | 146 | 54.8 Ų | 54.8 | 64% | 0.635 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 175.4 | -63.8 | -172.4 | 177.8 | -172.9 | 0 | 111.2 | I99 C104 I105 F106 | I99-K102 PolarHBondContact O-N 3.22Å; I99-K102 VanDerWaalsContact O-N 3.12Å; K102-C104 VanDerWaalsContact C-N 3.33Å; K102-C104 PolarHBondContact O-N 2.86Å; K102-I105 PolarHBondContact O-N 3.09Å; K102-F106 WeakPolarHBondContact O-CD2 3.39Å; K102-F106 PolarHBondContact O-N 2.89Å |
| 103 | L | 88.4 | Confident | 87.1 | Confident | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 176.2 | 178.6 | 63.9 | 0 | 0 | 0 | 111.6 | I99 F106 C107 L185 L191 | I99-L103 WeakPolarHBondContact O-CB 3.3Å; I99-L103 PolarHBondContact O-N 2.89Å; L103-F106 PolarHBondContact O-N 3.19Å; L103-C107 WeakPolarHBondContact O-CB 3.45Å; L103-C107 PolarHBondContact O-N 3.22Å; L103-C107 PolarHBondContact O-SG 3.07Å; L103-L185 HydrophobicContact CD2-CD1 4.11Å; L103-L191 HydrophobicContact CD1-CD1 3.74Å; L103-L191 HydrophobicContact CD1-CG 4.42Å |
| 104 | C | 89.4 | Confident | 87.1 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 175 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | H100 G101 K102 F106 C107 L108 L184 | H100-C104 PolarHBondContact O-N 3.14Å; G101-C104 WeakPolarHBondContact O-CB 3.26Å; G101-C104 PolarHBondContact O-N 3.39Å; K102-C104 VanDerWaalsContact C-N 3.33Å; K102-C104 PolarHBondContact O-N 2.86Å; C104-F106 VanDerWaalsContact C-N 3.35Å; C104-F106 PolarHBondContact O-N 3.38Å; C104-C107 WeakPolarHBondContact O-CB 3.38Å; C104-C107 PolarHBondContact O-N 3.35Å; C104-C107 VanDerWaalsContact O-N 3.11Å; C104-L108 WeakPolarHBondContact O-CG 3.39Å; C104-L108 PolarHBondContact O-N 3.4Å; C104-L184 HydrophobicContact CB-CD2 3.75Å; C104-L184 WeakPolarHBondContact SG-CD2 3.19Å |
| 105 | I | 91.2 | Very high | 86.9 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 177.2 | -66.2 | 160.6 | 0 | 0 | 0 | 110.7 | G101 K102 C107 L108 L109 | G101-I105 WeakPolarHBondContact O-CG1 3.3Å; G101-I105 PolarHBondContact O-N 3.43Å; G101-I105 VanDerWaalsContact O-N 3.13Å; K102-I105 PolarHBondContact O-N 3.09Å; I105-C107 VanDerWaalsContact C-N 3.34Å; I105-C107 PolarHBondContact O-N 2.95Å; I105-L108 PolarHBondContact O-N 3.31Å; I105-L109 HydrophobicContact CG2-CD1 3.94Å; I105-L109 HydrophobicContact CG2-CG 4.39Å; I105-L109 VanDerWaalsContact O-CG 3.3Å; I105-L109 WeakPolarHBondContact O-CG 3.49Å; I105-L109 PolarHBondContact O-N 2.83Å |
| 106 | F | 91.8 | Very high | 86.9 | Confident | 124 Ų | 124 | 60 Ų | 60 | 54% | 0.544 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.2 | -78.6 | -66.8 | 0 | 0 | 0 | 112.9 | K102 L103 C104 L109 C110 L191 | K102-F106 WeakPolarHBondContact O-CD2 3.39Å; K102-F106 PolarHBondContact O-N 2.89Å; L103-F106 PolarHBondContact O-N 3.19Å; C104-F106 VanDerWaalsContact C-N 3.35Å; C104-F106 PolarHBondContact O-N 3.38Å; F106-L109 PolarHBondContact O-N 3.07Å; F106-C110 PolarHBondContact O-N 2.92Å; F106-C110 PolarHBondContact O-SG 3.4Å; F106-L191 HydrophobicContact CB-CD2 3.96Å |
| 107 | C | 91.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.2 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | L103 C104 I105 C110 E111 S187 K190 | L103-C107 WeakPolarHBondContact O-CB 3.45Å; L103-C107 PolarHBondContact O-N 3.22Å; L103-C107 PolarHBondContact O-SG 3.07Å; C104-C107 WeakPolarHBondContact O-CB 3.38Å; C104-C107 PolarHBondContact O-N 3.35Å; C104-C107 VanDerWaalsContact O-N 3.11Å; I105-C107 VanDerWaalsContact C-N 3.34Å; I105-C107 PolarHBondContact O-N 2.95Å; C107-C110 PolarHBondContact O-N 3.49Å; C107-E111 PolarHBondContact O-N 3.32Å; C107-S187 PolarHBondContact SG-O 3.09Å; C107-S187 VanDerWaalsContact SG-O 3.34Å; C107-K190 HydrophobicContact CB-CB 3.91Å; C107-K190 HydrophobicContact CB-CD 4.14Å |
| 108 | L | 92.5 | Very high | 87.5 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 173.9 | -70.2 | 173.3 | 0 | 0 | 0 | 111.7 | C104 I105 E111 A112 F144 A148 Q151 | C104-L108 WeakPolarHBondContact O-CG 3.39Å; C104-L108 PolarHBondContact O-N 3.4Å; I105-L108 PolarHBondContact O-N 3.31Å; L108-E111 PolarHBondContact O-N 3.29Å; L108-A112 VanDerWaalsContact O-CB 3.31Å; L108-A112 WeakPolarHBondContact O-CB 3.37Å; L108-A112 PolarHBondContact O-N 3.07Å; L108-F144 HydrophobicContact CB-CD2 4.24Å; L108-F144 HydrophobicContact CB-CE2 3.59Å; L108-F144 HydrophobicContact CB-CZ 4.21Å; L108-F144 HydrophobicContact CD1-CZ 4.34Å; L108-A148 HydrophobicContact CD1-CB 4.26Å; L108-A148 HydrophobicContact CD2-CB 4.34Å; L108-Q151 HydrophobicContact CD2-CB 3.99Å; L108-Q151 HydrophobicContact CD2-CG 4.21Å |
| 109 | L | 92.2 | Very high | 87.6 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 175.6 | -70.9 | 169.9 | 0 | 0 | 0 | 112 | I105 F106 E111 Y113 F140 F144 | I105-L109 HydrophobicContact CG2-CD1 3.94Å; I105-L109 HydrophobicContact CG2-CG 4.39Å; I105-L109 VanDerWaalsContact O-CG 3.3Å; I105-L109 WeakPolarHBondContact O-CG 3.49Å; I105-L109 PolarHBondContact O-N 2.83Å; F106-L109 PolarHBondContact O-N 3.07Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.43Å; L109-Y113 WeakPolarHBondContact O-CB 3.5Å; L109-Y113 PolarHBondContact O-N 2.7Å; L109-F140 HydrophobicContact CD2-CE1 4.34Å; L109-F140 HydrophobicContact CD2-CZ 3.88Å; L109-F144 HydrophobicContact CD2-CD2 3.92Å; L109-F144 HydrophobicContact CD2-CE2 3.83Å; L109-F144 HydrophobicContact CG-CD2 4.48Å; L109-F144 HydrophobicContact CG-CE2 4.05Å |
| 110 | C | 91.3 | Very high | 87.2 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 176 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | F106 C107 L114 L193 | F106-C110 PolarHBondContact O-N 2.92Å; F106-C110 PolarHBondContact O-SG 3.4Å; C107-C110 PolarHBondContact O-N 3.49Å; C110-L114 WeakPolarHBondContact O-CB 3.48Å; C110-L114 PolarHBondContact O-N 2.84Å; C110-L193 HydrophobicContact CB-CD1 4.31Å |
| 111 | E | 90.2 | Very high | 86.4 | Confident | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.4 | -41 | 179.3 | 178.9 | 163.6 | -149.2 | 0 | 0 | 112.9 | C107 L108 L109 Y113 L114 R115 A147 K190 | C107-E111 PolarHBondContact O-N 3.32Å; L108-E111 PolarHBondContact O-N 3.29Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 3.43Å; E111-Y113 VanDerWaalsContact C-N 3.33Å; E111-L114 PolarHBondContact O-N 3.15Å; E111-R115 WeakPolarHBondContact O-CG 3.5Å; E111-R115 PolarHBondContact O-N 3.38Å; E111-R115 IonicContact OE1-CZ 2.73Å; E111-R115 IonicContact OE1-NE 3.13Å; E111-R115 IonicContact OE1-NH2 3.3Å; E111-R115 PolarHBondContact OE1-NH2 2.94Å; E111-A147 HydrophobicContact CG-CB 4.04Å; E111-K190 IonicContact OE1-NZ 3.43Å; E111-K190 WeakPolarHBondContact OE2-CE 3.42Å; E111-K190 IonicContact OE2-NZ 3.71Å; E111-K190 PolarHBondContact OE2-NZ 2.62Å |
| 112 | A | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L108 R115 W116 F140 F144 | L108-A112 VanDerWaalsContact O-CB 3.31Å; L108-A112 WeakPolarHBondContact O-CB 3.37Å; L108-A112 PolarHBondContact O-N 3.07Å; A112-R115 PolarHBondContact O-N 2.93Å; A112-W116 VanDerWaalsContact O-CB 3.28Å; A112-W116 WeakPolarHBondContact O-CB 3.4Å; A112-W116 PolarHBondContact O-N 3.32Å; A112-F140 HydrophobicContact CB-CE2 4.03Å; A112-F140 HydrophobicContact CB-CZ 4.32Å; A112-F144 HydrophobicContact CB-CB 3.75Å; A112-F144 HydrophobicContact CB-CD2 3.98Å; A112-F144 HydrophobicContact CB-CG 4.37Å |
| 113 | Y | 88.1 | Confident | 84.3 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.2 | 176 | -104 | 0 | 0 | 0 | 112 | L109 E111 R115 W116 W117 V197 | L109-Y113 WeakPolarHBondContact O-CB 3.5Å; L109-Y113 PolarHBondContact O-N 2.7Å; E111-Y113 VanDerWaalsContact C-N 3.33Å; Y113-R115 PolarHBondContact O-N 2.82Å; Y113-W116 HydrophobicContact CD2-CE3 4.07Å; Y113-W116 HydrophobicContact CD2-CZ3 4.29Å; Y113-W116 HydrophobicContact CE2-CE3 4.23Å; Y113-W116 HydrophobicContact CE2-CZ3 4.08Å; Y113-W116 PolarHBondContact O-N 2.98Å; Y113-W117 VanDerWaalsContact O-CB 3.28Å; Y113-W117 WeakPolarHBondContact O-CB 3.31Å; Y113-W117 PolarHBondContact O-N 2.98Å; Y113-V197 HydrophobicContact CE1-CG1 3.98Å |
| 114 | L | 87.3 | Confident | 82.9 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 176.8 | -178.5 | 73.3 | 0 | 0 | 0 | 112 | C110 E111 W117 Q118 L193 V197 L208 | C110-L114 WeakPolarHBondContact O-CB 3.48Å; C110-L114 PolarHBondContact O-N 2.84Å; E111-L114 PolarHBondContact O-N 3.15Å; L114-W117 PolarHBondContact O-N 2.97Å; L114-Q118 VanDerWaalsContact O-CG 3.29Å; L114-Q118 WeakPolarHBondContact O-CG 3.31Å; L114-Q118 PolarHBondContact O-N 2.85Å; L114-L193 HydrophobicContact CB-CD1 4.48Å; L114-L193 HydrophobicContact CD2-CD1 4.15Å; L114-L193 HydrophobicContact CD2-CD2 3.96Å; L114-V197 HydrophobicContact CD1-CG2 3.63Å; L114-L208 HydrophobicContact CD1-CD1 3.9Å; L114-L208 HydrophobicContact CD1-CD2 3.63Å; L114-L208 HydrophobicContact CD1-CG 4.43Å; L114-L208 HydrophobicContact CD2-CD1 4.49Å; L114-L208 HydrophobicContact CD2-CD2 3.93Å; L114-L208 HydrophobicContact CG-CD2 4.45Å |
| 115 | R | 86.6 | Confident | 81.1 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | 179.6 | -66.9 | 171 | -169.5 | -134.5 | 1.2 | 111.4 | E111 A112 Y113 Q118 L119 M143 E150 | E111-R115 WeakPolarHBondContact O-CG 3.5Å; E111-R115 PolarHBondContact O-N 3.38Å; E111-R115 IonicContact OE1-CZ 2.73Å; E111-R115 IonicContact OE1-NE 3.13Å; E111-R115 IonicContact OE1-NH2 3.3Å; E111-R115 PolarHBondContact OE1-NH2 2.94Å; A112-R115 PolarHBondContact O-N 2.93Å; Y113-R115 PolarHBondContact O-N 2.82Å; R115-Q118 PolarHBondContact O-N 3.49Å; R115-L119 WeakPolarHBondContact O-CG 3.24Å; R115-L119 PolarHBondContact O-N 3.03Å; R115-M143 HydrophobicContact CB-CB 4.23Å; R115-M143 HydrophobicContact CB-CG 4.09Å; R115-M143 HydrophobicContact CB-SD 3.83Å; R115-E150 IonicContact CZ-OE1 3.53Å; R115-E150 IonicContact CZ-OE2 3.49Å; R115-E150 VanDerWaalsContact NH1-CD 3.25Å; R115-E150 IonicContact NH1-OE1 3.7Å; R115-E150 PolarHBondContact NH1-OE1 3.29Å; R115-E150 IonicContact NH1-OE2 3.34Å; R115-E150 PolarHBondContact NH1-OE2 2.98Å; R115-E150 VanDerWaalsContact NH1-OE2 3.13Å; R115-E150 IonicContact NH2-OE1 2.92Å; R115-E150 IonicContact NH2-OE2 3.68Å; R115-E150 PolarHBondContact NH2-OE2 3.26Å |
| 116 | W | 86.9 | Confident | 79.5 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66 | -35.6 | 177.5 | 178.6 | 79.4 | 0 | 0 | 0 | 113.1 | A112 Y113 Q120 K136 F140 | A112-W116 VanDerWaalsContact O-CB 3.28Å; A112-W116 WeakPolarHBondContact O-CB 3.4Å; A112-W116 PolarHBondContact O-N 3.32Å; Y113-W116 HydrophobicContact CD2-CE3 4.07Å; Y113-W116 HydrophobicContact CD2-CZ3 4.29Å; Y113-W116 HydrophobicContact CE2-CE3 4.23Å; Y113-W116 HydrophobicContact CE2-CZ3 4.08Å; Y113-W116 PolarHBondContact O-N 2.98Å; W116-Q120 VanDerWaalsContact CD2-NE2 3.27Å; W116-Q120 PolarHBondContact O-N 2.96Å; W116-Q120 PolarHBondContact O-NE2 3.25Å; W116-K136 HydrophobicContact CZ2-CB 4.37Å; W116-K136 PolarHBondContact NE1-O 3.35Å; W116-F140 HydrophobicContact CB-CD2 4.23Å; W116-F140 HydrophobicContact CD2-CB 4.49Å; W116-F140 HydrophobicContact CD2-CD2 4.37Å; W116-F140 HydrophobicContact CG-CB 4.15Å; W116-F140 HydrophobicContact CG-CD2 4.19Å |
| 117 | W | 83.1 | Confident | 77.9 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 25% | 0.254 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 172.5 | -179.6 | 82.4 | 0 | 0 | 0 | 111.3 | Y113 L114 L119 Q120 D121 V197 | Y113-W117 VanDerWaalsContact O-CB 3.28Å; Y113-W117 WeakPolarHBondContact O-CB 3.31Å; Y113-W117 PolarHBondContact O-N 2.98Å; L114-W117 PolarHBondContact O-N 2.97Å; W117-L119 VanDerWaalsContact C-N 3.29Å; W117-L119 PolarHBondContact O-N 2.9Å; W117-Q120 PolarHBondContact O-N 2.68Å; W117-Q120 VanDerWaalsContact O-N 3.16Å; W117-D121 PolarHBondContact O-N 3.46Å; W117-V197 HydrophobicContact CD2-CG1 4.22Å; W117-V197 HydrophobicContact CG-CG1 4.43Å |
| 118 | Q | 81.8 | Confident | 76.4 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 176.5 | -72.1 | 176.6 | -27.8 | 0 | 0 | 113.4 | L114 R115 S122 | L114-Q118 VanDerWaalsContact O-CG 3.29Å; L114-Q118 WeakPolarHBondContact O-CG 3.31Å; L114-Q118 PolarHBondContact O-N 2.85Å; R115-Q118 PolarHBondContact O-N 3.49Å; Q118-S122 PolarHBondContact O-N 2.98Å; Q118-S122 PolarHBondContact O-OG 2.88Å; Q118-S122 VanDerWaalsContact O-OG 3.06Å |
| 119 | L | 77.8 | Confident | 75.1 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 36% | 0.356 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 176.1 | -74.7 | 166 | 0 | 0 | 0 | 113.1 | R115 W117 S122 N123 M143 | R115-L119 WeakPolarHBondContact O-CG 3.24Å; R115-L119 PolarHBondContact O-N 3.03Å; W117-L119 VanDerWaalsContact C-N 3.29Å; W117-L119 PolarHBondContact O-N 2.9Å; L119-S122 PolarHBondContact O-N 3.5Å; L119-N123 WeakPolarHBondContact O-CB 3.46Å; L119-N123 PolarHBondContact O-N 3.24Å; L119-M143 HydrophobicContact CD1-CE 3.47Å; L119-M143 VanDerWaalsContact CD1-CE 3.47Å; L119-M143 HydrophobicContact CD1-CG 3.92Å; L119-M143 HydrophobicContact CD1-SD 3.59Å; L119-M143 VanDerWaalsContact CD1-SD 3.59Å |
| 120 | Q | 73.6 | Confident | 73.8 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70 | -38.2 | 177.8 | -81.1 | 177.7 | 104 | 0 | 0 | 112.6 | W116 W117 S122 N123 | W116-Q120 VanDerWaalsContact CD2-NE2 3.27Å; W116-Q120 PolarHBondContact O-N 2.96Å; W116-Q120 PolarHBondContact O-NE2 3.25Å; W117-Q120 PolarHBondContact O-N 2.68Å; W117-Q120 VanDerWaalsContact O-N 3.16Å; Q120-S122 PolarHBondContact O-N 3.34Å; Q120-N123 PolarHBondContact O-N 2.9Å; Q120-N123 VanDerWaalsContact O-N 3.09Å |
| 121 | D | 66.4 | Low | 72.5 | Confident | 105 Ų | 105 | 87.3 Ų | 87.3 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.2 | -35 | 173.6 | -168.7 | 53.5 | 0 | 0 | 0 | 111.7 | W117 | W117-D121 PolarHBondContact O-N 3.46Å |
| 122 | S | 64.4 | Low | 71.3 | Confident | 89 Ų | 89 | 88.4 Ų | 88.4 | 62% | 0.622 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -74.8 | -21.3 | 176.7 | -55 | 0 | 0 | 0 | 0 | 114.4 | Q118 L119 Q120 | Q118-S122 PolarHBondContact O-N 2.98Å; Q118-S122 PolarHBondContact O-OG 2.88Å; Q118-S122 VanDerWaalsContact O-OG 3.06Å; L119-S122 PolarHBondContact O-N 3.5Å; Q120-S122 PolarHBondContact O-N 3.34Å |
| 123 | N | 63.5 | Low | 70.1 | Confident | 111 Ų | 111 | 96 Ų | 96 | 59% | 0.594 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 33.7 | -166.9 | -82.1 | -21.7 | 0 | 0 | 0 | 113.8 | L119 Q120 N125 | L119-N123 WeakPolarHBondContact O-CB 3.46Å; L119-N123 PolarHBondContact O-N 3.24Å; Q120-N123 PolarHBondContact O-N 2.9Å; Q120-N123 VanDerWaalsContact O-N 3.09Å; N123-N125 PolarHBondContact O-N 3.24Å |
| 124 | Q | 59 | Low | 69 | Low | 152 Ų | 152 | 97.6 Ų | 97.6 | 71% | 0.71 | 50% | 0.503 | S | S | * | . | trans | -71.3 | 50.3 | 179.7 | -60.6 | -169.2 | 19.1 | 0 | 0 | 114.8 | ||||
| 125 | N | 51.3 | Low | 68.1 | Low | 146 Ų | 146 | 99.2 Ų | 99.2 | 78% | 0.781 | 52% | 0.518 | S | S | * | . | trans | -112.8 | 126.2 | 175.2 | -73 | -59 | 0 | 0 | 0 | 111.8 | N123 | N123-N125 PolarHBondContact O-N 3.24Š| ||
| 126 | T | 58.5 | Low | 67.4 | Low | 148 Ų | 148 | 101.3 Ų | 101.3 | 91% | 0.908 | 53% | 0.528 | S | S | * | . | trans | -77.1 | 126 | -166 | -47.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 127 | A | 58.4 | Low | 66.9 | Low | 61 Ų | 61 | 102.7 Ų | 102.7 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | trans | -153.1 | -174.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I132 | A127-I132 HydrophobicContact CB-CD1 4.04Å; A127-I132 WeakPolarHBondContact O-CD1 3.17Å | ||
| 128 | P | 58.7 | Low | 66.8 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | trans | -81.8 | 144.7 | -160.8 | 32.4 | -35.8 | 0 | 0 | 0 | 116.1 | D130 I132 | P128-D130 PolarHBondContact O-N 2.77Å; P128-I132 WeakPolarHBondContact O-CB 3.48Å; P128-I132 WeakPolarHBondContact O-CD1 3.36Å; P128-I132 VanDerWaalsContact O-CG1 3.27Å; P128-I132 WeakPolarHBondContact O-CG1 3.4Å; P128-I132 PolarHBondContact O-N 3.36Å | ||
| 129 | D | 65.5 | Low | 66.9 | Low | 136 Ų | 136 | 105.6 Ų | 105.6 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | -159.6 | -70.1 | -55.3 | 0 | 0 | 0 | 117.2 | I132 R133 | D129-I132 PolarHBondContact O-N 2.73Å; D129-R133 PolarHBondContact O-N 2.92Å |
| 130 | D | 64.7 | Low | 67.3 | Low | 137 Ų | 137 | 104.7 Ų | 104.7 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.6 | -43.1 | -169.9 | -78.5 | -38.8 | 0 | 0 | 0 | 113.5 | P128 I132 R133 Y134 | P128-D130 PolarHBondContact O-N 2.77Å; D130-I132 VanDerWaalsContact C-N 3.27Å; D130-I132 PolarHBondContact O-N 2.97Å; D130-R133 PolarHBondContact O-N 2.86Å; D130-Y134 PolarHBondContact O-N 3.09Å |
| 131 | L | 64.4 | Low | 68 | Low | 131 Ų | 131 | 108.5 Ų | 108.5 | 69% | 0.686 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.2 | -37.2 | 174.2 | -171.9 | 71.5 | 0 | 0 | 0 | 110.4 | A135 | L131-A135 WeakPolarHBondContact O-CB 3.42Å; L131-A135 PolarHBondContact O-N 2.68Å |
| 132 | I | 64.8 | Low | 69 | Low | 44 Ų | 44 | 109.2 Ų | 109.2 | 23% | 0.226 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -65.9 | -39.5 | 176 | -74.5 | 178.8 | 0 | 0 | 0 | 111.7 | A127 P128 D129 D130 A135 K136 | A127-I132 HydrophobicContact CB-CD1 4.04Å; A127-I132 WeakPolarHBondContact O-CD1 3.17Å; P128-I132 WeakPolarHBondContact O-CB 3.48Å; P128-I132 WeakPolarHBondContact O-CD1 3.36Å; P128-I132 VanDerWaalsContact O-CG1 3.27Å; P128-I132 WeakPolarHBondContact O-CG1 3.4Å; P128-I132 PolarHBondContact O-N 3.36Å; D129-I132 PolarHBondContact O-N 2.73Å; D130-I132 VanDerWaalsContact C-N 3.27Å; D130-I132 PolarHBondContact O-N 2.97Å; I132-A135 PolarHBondContact O-N 3.49Å; I132-K136 HydrophobicContact CG2-CD 3.67Å; I132-K136 HydrophobicContact CG2-CG 4.14Å; I132-K136 VanDerWaalsContact O-CB 3.29Å; I132-K136 WeakPolarHBondContact O-CB 3.49Å; I132-K136 VanDerWaalsContact O-CG 3.27Å; I132-K136 WeakPolarHBondContact O-CG 3.49Å; I132-K136 PolarHBondContact O-N 3.09Å |
| 133 | R | 67.9 | Low | 70.2 | Confident | 159 Ų | 159 | 106.4 Ų | 106.4 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 178.3 | -167.9 | 167.7 | 77.8 | 97.4 | -8.1 | 110.9 | D129 D130 K136 E137 | D129-R133 PolarHBondContact O-N 2.92Å; D130-R133 PolarHBondContact O-N 2.86Å; R133-K136 PolarHBondContact O-N 2.89Å; R133-E137 IonicContact NH1-OE1 2.79Å; R133-E137 PolarHBondContact NH1-OE1 3.43Å; R133-E137 WeakPolarHBondContact O-CG 3.49Å; R133-E137 PolarHBondContact O-N 3.23Å; R133-E137 VanDerWaalsContact O-N 3.13Å |
| 134 | Y | 65.3 | Low | 71.5 | Confident | 139 Ų | 139 | 104 Ų | 104 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.4 | -172.5 | -108.5 | 0 | 0 | 0 | 112.2 | D130 K136 E137 W138 | D130-Y134 PolarHBondContact O-N 3.09Å; Y134-K136 PolarHBondContact O-N 3.42Å; Y134-E137 PolarHBondContact O-N 3.4Å; Y134-W138 AromaticContact CD1-CD1 3.78Å; Y134-W138 AromaticContact CD1-NE1 3.94Å; Y134-W138 AromaticContact CE1-CD1 3.54Å; Y134-W138 AromaticContact CE1-NE1 3.25Å; Y134-W138 AromaticContact CE2-NE1 3.45Å; Y134-W138 AromaticContact CZ-CD1 3.71Å; Y134-W138 AromaticContact CZ-NE1 2.99Å; Y134-W138 VanDerWaalsContact O-CD1 3.31Å; Y134-W138 PolarHBondContact O-N 3.49Å; Y134-W138 VanDerWaalsContact O-N 3.09Å; Y134-W138 PolarHBondContact OH-NE1 3.44Å; Y134-W138 VanDerWaalsContact OH-NE1 3.09Å |
| 135 | A | 68 | Low | 73.1 | Confident | 45 Ų | 45 | 99 Ų | 99 | 37% | 0.372 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L131 I132 E137 W138 D139 | L131-A135 WeakPolarHBondContact O-CB 3.42Å; L131-A135 PolarHBondContact O-N 2.68Å; I132-A135 PolarHBondContact O-N 3.49Å; A135-E137 VanDerWaalsContact C-N 3.31Å; A135-E137 PolarHBondContact O-N 3.28Å; A135-W138 PolarHBondContact O-N 2.81Å; A135-W138 VanDerWaalsContact O-N 3.12Å; A135-D139 PolarHBondContact O-N 3.2Å |
| 136 | K | 70.6 | Confident | 74.9 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 39% | 0.387 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -35.5 | 176.5 | -77.5 | 174.7 | 176.2 | 171.6 | 0 | 112.9 | W116 I132 R133 Y134 F140 | W116-K136 HydrophobicContact CZ2-CB 4.37Å; W116-K136 PolarHBondContact NE1-O 3.35Å; I132-K136 HydrophobicContact CG2-CD 3.67Å; I132-K136 HydrophobicContact CG2-CG 4.14Å; I132-K136 VanDerWaalsContact O-CB 3.29Å; I132-K136 WeakPolarHBondContact O-CB 3.49Å; I132-K136 VanDerWaalsContact O-CG 3.27Å; I132-K136 WeakPolarHBondContact O-CG 3.49Å; I132-K136 PolarHBondContact O-N 3.09Å; R133-K136 PolarHBondContact O-N 2.89Å; Y134-K136 PolarHBondContact O-N 3.42Å; K136-F140 PolarHBondContact O-N 2.99Å |
| 137 | E | 78.1 | Confident | 76.5 | Confident | 86 Ų | 86 | 86.1 Ų | 86.1 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 173.4 | -72.7 | 173.3 | -161.3 | 0 | 0 | 111.2 | R133 Y134 A135 F140 Y141 | R133-E137 IonicContact NH1-OE1 2.79Å; R133-E137 PolarHBondContact NH1-OE1 3.43Å; R133-E137 WeakPolarHBondContact O-CG 3.49Å; R133-E137 PolarHBondContact O-N 3.23Å; R133-E137 VanDerWaalsContact O-N 3.13Å; Y134-E137 PolarHBondContact O-N 3.4Å; A135-E137 VanDerWaalsContact C-N 3.31Å; A135-E137 PolarHBondContact O-N 3.28Å; E137-F140 WeakPolarHBondContact O-CB 3.09Å; E137-F140 PolarHBondContact O-N 3.27Å; E137-Y141 HydrophobicContact CB-CE2 4.5Å; E137-Y141 WeakPolarHBondContact O-CD2 3.48Å; E137-Y141 PolarHBondContact O-N 2.94Å; E137-Y141 VanDerWaalsContact O-N 3.14Å |
| 138 | W | 80.4 | Confident | 78.2 | Confident | 149 Ų | 149 | 84.5 Ų | 84.5 | 56% | 0.564 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.8 | -39.9 | 174.8 | -83.2 | 98.4 | 0 | 0 | 0 | 113.8 | Y134 A135 F140 Y141 R142 | Y134-W138 AromaticContact CD1-CD1 3.78Å; Y134-W138 AromaticContact CD1-NE1 3.94Å; Y134-W138 AromaticContact CE1-CD1 3.54Å; Y134-W138 AromaticContact CE1-NE1 3.25Å; Y134-W138 AromaticContact CE2-NE1 3.45Å; Y134-W138 AromaticContact CZ-CD1 3.71Å; Y134-W138 AromaticContact CZ-NE1 2.99Å; Y134-W138 VanDerWaalsContact O-CD1 3.31Å; Y134-W138 PolarHBondContact O-N 3.49Å; Y134-W138 VanDerWaalsContact O-N 3.09Å; Y134-W138 PolarHBondContact OH-NE1 3.44Å; Y134-W138 VanDerWaalsContact OH-NE1 3.09Å; A135-W138 PolarHBondContact O-N 2.81Å; A135-W138 VanDerWaalsContact O-N 3.12Å; W138-F140 VanDerWaalsContact C-N 3.27Å; W138-F140 PolarHBondContact O-N 3.29Å; W138-Y141 PolarHBondContact O-N 2.91Å; W138-R142 WeakPolarHBondContact O-CB 3.35Å; W138-R142 PolarHBondContact O-N 3.27Å |
| 139 | D | 83.8 | Confident | 79.8 | Confident | 64 Ų | 64 | 83.9 Ų | 83.9 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 174.1 | -74.2 | -34.3 | 0 | 0 | 0 | 111.5 | A135 R142 M143 | A135-D139 PolarHBondContact O-N 3.2Å; D139-R142 PolarHBondContact O-N 3.38Å; D139-M143 WeakPolarHBondContact O-CB 3.31Å; D139-M143 VanDerWaalsContact O-CG 3.27Å; D139-M143 WeakPolarHBondContact O-CG 3.46Å; D139-M143 PolarHBondContact O-N 3.2Å |
| 140 | F | 86.5 | Confident | 81 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 173.9 | 176.8 | -95.5 | 0 | 0 | 0 | 112.1 | L109 A112 W116 K136 E137 W138 R142 M143 F144 | L109-F140 HydrophobicContact CD2-CE1 4.34Å; L109-F140 HydrophobicContact CD2-CZ 3.88Å; A112-F140 HydrophobicContact CB-CE2 4.03Å; A112-F140 HydrophobicContact CB-CZ 4.32Å; W116-F140 HydrophobicContact CB-CD2 4.23Å; W116-F140 HydrophobicContact CD2-CB 4.49Å; W116-F140 HydrophobicContact CD2-CD2 4.37Å; W116-F140 HydrophobicContact CG-CB 4.15Å; W116-F140 HydrophobicContact CG-CD2 4.19Å; K136-F140 PolarHBondContact O-N 2.99Å; E137-F140 WeakPolarHBondContact O-CB 3.09Å; E137-F140 PolarHBondContact O-N 3.27Å; W138-F140 VanDerWaalsContact C-N 3.27Å; W138-F140 PolarHBondContact O-N 3.29Å; F140-R142 VanDerWaalsContact C-N 3.33Å; F140-R142 PolarHBondContact O-N 3.32Å; F140-M143 PolarHBondContact O-N 3.24Å; F140-F144 WeakPolarHBondContact O-CB 3.44Å; F140-F144 PolarHBondContact O-N 2.98Å |
| 141 | Y | 88.3 | Confident | 82.3 | Confident | 142 Ų | 142 | 72.5 Ų | 72.5 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.4 | -37.4 | 177.3 | -68.5 | -62.4 | 0 | 0 | 0 | 112.6 | E137 W138 F144 A145 | E137-Y141 HydrophobicContact CB-CE2 4.5Å; E137-Y141 WeakPolarHBondContact O-CD2 3.48Å; E137-Y141 PolarHBondContact O-N 2.94Å; E137-Y141 VanDerWaalsContact O-N 3.14Å; W138-Y141 PolarHBondContact O-N 2.91Å; Y141-F144 PolarHBondContact O-N 2.94Å; Y141-A145 WeakPolarHBondContact O-CB 3.42Å; Y141-A145 PolarHBondContact O-N 2.82Å |
| 142 | R | 87.4 | Confident | 83.7 | Confident | 121 Ų | 121 | 69.8 Ų | 69.8 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 172.8 | -177.2 | -177.9 | 179.6 | 175.2 | 2.8 | 111.3 | W138 D139 F140 F144 A145 V146 E256 | W138-R142 WeakPolarHBondContact O-CB 3.35Å; W138-R142 PolarHBondContact O-N 3.27Å; D139-R142 PolarHBondContact O-N 3.38Å; F140-R142 VanDerWaalsContact C-N 3.33Å; F140-R142 PolarHBondContact O-N 3.32Å; R142-F144 VanDerWaalsContact C-N 3.29Å; R142-F144 PolarHBondContact O-N 3.44Å; R142-A145 PolarHBondContact O-N 3.31Å; R142-V146 WeakPolarHBondContact O-CG2 3.12Å; R142-V146 PolarHBondContact O-N 3.35Å; R142-E256 IonicContact CZ-OE1 2.68Å; R142-E256 IonicContact NE-OE1 3.43Å; R142-E256 PolarHBondContact NE-OE1 3.47Å; R142-E256 VanDerWaalsContact NH2-CD 3.31Å; R142-E256 IonicContact NH2-OE1 3.37Å; R142-E256 PolarHBondContact NH2-OE1 2.92Å |
| 143 | M | 88.4 | Confident | 85.1 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 15% | 0.148 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -36.3 | 177.2 | -69.9 | -59.3 | 127.8 | 0 | 0 | 112.5 | R115 L119 D139 F140 A147 | R115-M143 HydrophobicContact CB-CB 4.23Å; R115-M143 HydrophobicContact CB-CG 4.09Å; R115-M143 HydrophobicContact CB-SD 3.83Å; L119-M143 HydrophobicContact CD1-CE 3.47Å; L119-M143 VanDerWaalsContact CD1-CE 3.47Å; L119-M143 HydrophobicContact CD1-CG 3.92Å; L119-M143 HydrophobicContact CD1-SD 3.59Å; L119-M143 VanDerWaalsContact CD1-SD 3.59Å; D139-M143 WeakPolarHBondContact O-CB 3.31Å; D139-M143 VanDerWaalsContact O-CG 3.27Å; D139-M143 WeakPolarHBondContact O-CG 3.46Å; D139-M143 PolarHBondContact O-N 3.2Å; F140-M143 PolarHBondContact O-N 3.24Å; M143-A147 VanDerWaalsContact O-CB 3.32Å; M143-A147 WeakPolarHBondContact O-CB 3.38Å; M143-A147 PolarHBondContact O-N 3.43Å |
| 144 | F | 92 | Very high | 86.4 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 173.5 | -178.4 | -92.1 | 0 | 0 | 0 | 112.6 | L108 L109 A112 F140 Y141 R142 A147 A148 | L108-F144 HydrophobicContact CB-CD2 4.24Å; L108-F144 HydrophobicContact CB-CE2 3.59Å; L108-F144 HydrophobicContact CB-CZ 4.21Å; L108-F144 HydrophobicContact CD1-CZ 4.34Å; L109-F144 HydrophobicContact CD2-CD2 3.92Å; L109-F144 HydrophobicContact CD2-CE2 3.83Å; L109-F144 HydrophobicContact CG-CD2 4.48Å; L109-F144 HydrophobicContact CG-CE2 4.05Å; A112-F144 HydrophobicContact CB-CB 3.75Å; A112-F144 HydrophobicContact CB-CD2 3.98Å; A112-F144 HydrophobicContact CB-CG 4.37Å; F140-F144 WeakPolarHBondContact O-CB 3.44Å; F140-F144 PolarHBondContact O-N 2.98Å; Y141-F144 PolarHBondContact O-N 2.94Å; R142-F144 VanDerWaalsContact C-N 3.29Å; R142-F144 PolarHBondContact O-N 3.44Å; F144-A147 PolarHBondContact O-N 3.21Å; F144-A148 WeakPolarHBondContact O-CB 3.42Å; F144-A148 PolarHBondContact O-N 3.23Å |
| 145 | A | 91.6 | Very high | 87.7 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y141 R142 A148 L149 | Y141-A145 WeakPolarHBondContact O-CB 3.42Å; Y141-A145 PolarHBondContact O-N 2.82Å; R142-A145 PolarHBondContact O-N 3.31Å; A145-A148 PolarHBondContact O-N 3.06Å; A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.27Å |
| 146 | V | 90 | Very high | 88.9 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | R142 A148 L149 E150 | R142-V146 WeakPolarHBondContact O-CG2 3.12Å; R142-V146 PolarHBondContact O-N 3.35Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 PolarHBondContact O-N 3.38Å; V146-L149 PolarHBondContact O-N 2.98Å; V146-E150 VanDerWaalsContact CG1-OE1 3.27Å; V146-E150 WeakPolarHBondContact CG1-OE1 3.3Å; V146-E150 WeakPolarHBondContact O-CG 3.48Å; V146-E150 PolarHBondContact O-N 3.12Å |
| 147 | A | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E111 M143 F144 Q151 | E111-A147 HydrophobicContact CG-CB 4.04Å; M143-A147 VanDerWaalsContact O-CB 3.32Å; M143-A147 WeakPolarHBondContact O-CB 3.38Å; M143-A147 PolarHBondContact O-N 3.43Å; F144-A147 PolarHBondContact O-N 3.21Å; A147-Q151 VanDerWaalsContact O-CB 3.25Å; A147-Q151 WeakPolarHBondContact O-CB 3.32Å; A147-Q151 PolarHBondContact O-N 2.96Å |
| 148 | A | 93.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 48.4 Ų | 48.4 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L108 F144 A145 V146 T152 | L108-A148 HydrophobicContact CD1-CB 4.26Å; L108-A148 HydrophobicContact CD2-CB 4.34Å; F144-A148 WeakPolarHBondContact O-CB 3.42Å; F144-A148 PolarHBondContact O-N 3.23Å; A145-A148 PolarHBondContact O-N 3.06Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 PolarHBondContact O-N 3.38Å; A148-T152 VanDerWaalsContact O-CB 3.28Å; A148-T152 WeakPolarHBondContact O-CB 3.47Å; A148-T152 PolarHBondContact O-N 2.87Å; A148-T152 PolarHBondContact O-OG1 2.98Å |
| 149 | L | 92.9 | Very high | 91.2 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 44% | 0.44 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.9 | -45.1 | 176.9 | -72.5 | 166.9 | 0 | 0 | 0 | 111.8 | A145 V146 T152 A153 F252 | A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.27Å; V146-L149 PolarHBondContact O-N 2.98Å; L149-T152 PolarHBondContact O-N 3.34Å; L149-A153 WeakPolarHBondContact O-CB 3.2Å; L149-A153 PolarHBondContact O-N 3.2Å; L149-F252 HydrophobicContact CB-CE2 4.48Å; L149-F252 HydrophobicContact CD1-CE1 4.39Å; L149-F252 HydrophobicContact CD1-CE2 4.15Å; L149-F252 HydrophobicContact CD1-CZ 3.67Å |
| 150 | E | 91.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 173.7 | -73.7 | 175.3 | -151.1 | 0 | 0 | 112 | R115 V146 T152 A153 Y154 E245 V249 | R115-E150 IonicContact CZ-OE1 3.53Å; R115-E150 IonicContact CZ-OE2 3.49Å; R115-E150 VanDerWaalsContact NH1-CD 3.25Å; R115-E150 IonicContact NH1-OE1 3.7Å; R115-E150 PolarHBondContact NH1-OE1 3.29Å; R115-E150 IonicContact NH1-OE2 3.34Å; R115-E150 PolarHBondContact NH1-OE2 2.98Å; R115-E150 VanDerWaalsContact NH1-OE2 3.13Å; R115-E150 IonicContact NH2-OE1 2.92Å; R115-E150 IonicContact NH2-OE2 3.68Å; R115-E150 PolarHBondContact NH2-OE2 3.26Å; V146-E150 VanDerWaalsContact CG1-OE1 3.27Å; V146-E150 WeakPolarHBondContact CG1-OE1 3.3Å; V146-E150 WeakPolarHBondContact O-CG 3.48Å; V146-E150 PolarHBondContact O-N 3.12Å; E150-T152 PolarHBondContact O-N 2.93Å; E150-A153 PolarHBondContact O-N 2.96Å; E150-Y154 WeakPolarHBondContact O-CB 3.3Å; E150-Y154 PolarHBondContact O-N 3Å; E150-E245 HydrophobicContact CB-CG 4.28Å; E150-V249 HydrophobicContact CG-CG2 3.73Å |
| 151 | Q | 92.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -36.5 | 177.2 | -175.2 | 61.7 | 81.4 | 0 | 0 | 112.3 | L108 A147 F155 | L108-Q151 HydrophobicContact CD2-CB 3.99Å; L108-Q151 HydrophobicContact CD2-CG 4.21Å; A147-Q151 VanDerWaalsContact O-CB 3.25Å; A147-Q151 WeakPolarHBondContact O-CB 3.32Å; A147-Q151 PolarHBondContact O-N 2.96Å; Q151-F155 HydrophobicContact CG-CE2 3.99Å; Q151-F155 HydrophobicContact CG-CZ 4.14Å; Q151-F155 WeakPolarHBondContact O-CD2 3.24Å; Q151-F155 WeakPolarHBondContact O-CG 3.46Å; Q151-F155 PolarHBondContact O-N 3.27Å |
| 152 | T | 92.9 | Very high | 91.6 | Very high | 73 Ų | 73 | 36.6 Ų | 36.6 | 45% | 0.448 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.1 | -44 | 176.7 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | A148 L149 E150 F155 I156 | A148-T152 VanDerWaalsContact O-CB 3.28Å; A148-T152 WeakPolarHBondContact O-CB 3.47Å; A148-T152 PolarHBondContact O-N 2.87Å; A148-T152 PolarHBondContact O-OG1 2.98Å; L149-T152 PolarHBondContact O-N 3.34Å; E150-T152 PolarHBondContact O-N 2.93Å; T152-F155 PolarHBondContact O-N 3.29Å; T152-I156 HydrophobicContact CG2-CD1 3.82Å; T152-I156 HydrophobicContact CG2-CG1 4.41Å; T152-I156 WeakPolarHBondContact O-CB 3.1Å; T152-I156 VanDerWaalsContact O-CG1 3.27Å; T152-I156 WeakPolarHBondContact O-CG1 3.5Å; T152-I156 PolarHBondContact O-N 3.13Å |
| 153 | A | 94.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L149 E150 F155 I156 G157 M248 | L149-A153 WeakPolarHBondContact O-CB 3.2Å; L149-A153 PolarHBondContact O-N 3.2Å; E150-A153 PolarHBondContact O-N 2.96Å; A153-F155 PolarHBondContact O-N 3.3Å; A153-I156 PolarHBondContact O-N 3.06Å; A153-G157 PolarHBondContact O-N 2.91Å; A153-M248 HydrophobicContact CB-CB 4.18Å; A153-M248 HydrophobicContact CB-CE 4.48Å; A153-M248 HydrophobicContact CB-CG 3.61Å |
| 154 | Y | 94 | Very high | 91.3 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.3 | -48.5 | 173.5 | 177.7 | -104.9 | 0 | 0 | 0 | 112 | E150 G157 I158 N219 G241 L242 E245 | E150-Y154 WeakPolarHBondContact O-CB 3.3Å; E150-Y154 PolarHBondContact O-N 3Å; Y154-G157 PolarHBondContact O-N 2.63Å; Y154-I158 HydrophobicContact CD1-CD1 3.85Å; Y154-I158 HydrophobicContact CE1-CD1 3.38Å; Y154-I158 HydrophobicContact CE2-CD1 4.2Å; Y154-I158 HydrophobicContact CG-CD1 4.44Å; Y154-I158 PolarHBondContact O-N 2.94Å; Y154-I158 VanDerWaalsContact O-N 3.15Å; Y154-N219 HydrophobicContact CE1-CB 4.44Å; Y154-N219 WeakPolarHBondContact CE1-ND2 3.43Å; Y154-N219 WeakPolarHBondContact OH-CB 3.08Å; Y154-N219 PolarHBondContact OH-ND2 3.23Å; Y154-G241 VanDerWaalsContact CD2-C 3.44Å; Y154-G241 WeakPolarHBondContact O-CA 3.46Å; Y154-L242 HydrophobicContact CD2-CD2 4.27Å; Y154-L242 HydrophobicContact CE2-CD2 3.94Å; Y154-L242 HydrophobicContact CE2-CG 4.07Å; Y154-E245 WeakPolarHBondContact CD2-OE2 3.48Å |
| 155 | F | 93.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.2 | -68.2 | -19.4 | 0 | 0 | 0 | 112.1 | Q151 T152 A153 G157 I158 F159 L180 L183 L184 | Q151-F155 HydrophobicContact CG-CE2 3.99Å; Q151-F155 HydrophobicContact CG-CZ 4.14Å; Q151-F155 WeakPolarHBondContact O-CD2 3.24Å; Q151-F155 WeakPolarHBondContact O-CG 3.46Å; Q151-F155 PolarHBondContact O-N 3.27Å; T152-F155 PolarHBondContact O-N 3.29Å; A153-F155 PolarHBondContact O-N 3.3Å; F155-G157 VanDerWaalsContact C-N 3.28Å; F155-G157 PolarHBondContact O-N 3.46Å; F155-I158 PolarHBondContact O-N 2.92Å; F155-F159 HydrophobicContact CB-CD2 4.36Å; F155-F159 HydrophobicContact CB-CE2 4.3Å; F155-F159 WeakPolarHBondContact O-CD2 2.99Å; F155-F159 PolarHBondContact O-N 3.31Å; F155-L180 HydrophobicContact CD2-CD1 4.28Å; F155-L183 HydrophobicContact CD1-CB 3.99Å; F155-L183 HydrophobicContact CD1-CD1 4Å; F155-L183 HydrophobicContact CD1-CG 4.44Å; F155-L183 HydrophobicContact CE1-CB 3.57Å; F155-L183 HydrophobicContact CE1-CD1 4.42Å; F155-L183 HydrophobicContact CE1-CG 4.39Å; F155-L183 HydrophobicContact CZ-CB 4Å; F155-L184 HydrophobicContact CE2-CD2 3.73Å; F155-L184 HydrophobicContact CE2-CG 4.4Å; F155-L184 HydrophobicContact CZ-CD2 4.24Å |
| 156 | I | 93.3 | Very high | 89.6 | Confident | 87 Ų | 87 | 44.6 Ų | 44.6 | 45% | 0.446 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.1 | -45.8 | 175.3 | -72.2 | 168.5 | 0 | 0 | 0 | 110 | T152 A153 I158 F159 T160 | T152-I156 HydrophobicContact CG2-CD1 3.82Å; T152-I156 HydrophobicContact CG2-CG1 4.41Å; T152-I156 WeakPolarHBondContact O-CB 3.1Å; T152-I156 VanDerWaalsContact O-CG1 3.27Å; T152-I156 WeakPolarHBondContact O-CG1 3.5Å; T152-I156 PolarHBondContact O-N 3.13Å; A153-I156 PolarHBondContact O-N 3.06Å; I156-I158 VanDerWaalsContact C-N 3.33Å; I156-I158 PolarHBondContact O-N 3.2Å; I156-F159 PolarHBondContact O-N 3.23Å; I156-F159 VanDerWaalsContact O-N 3.1Å; I156-T160 HydrophobicContact CG2-CG2 4Å; I156-T160 WeakPolarHBondContact O-CG2 3.43Å; I156-T160 PolarHBondContact O-N 2.91Å; I156-T160 PolarHBondContact O-OG1 2.85Å; I156-T160 VanDerWaalsContact O-OG1 3.09Å |
| 157 | G | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -26.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A153 Y154 F155 T160 F161 S240 | A153-G157 PolarHBondContact O-N 2.91Å; Y154-G157 PolarHBondContact O-N 2.63Å; F155-G157 VanDerWaalsContact C-N 3.28Å; F155-G157 PolarHBondContact O-N 3.46Å; G157-T160 PolarHBondContact O-OG1 3.21Å; G157-F161 WeakPolarHBondContact O-CB 3.25Å; G157-S240 PolarHBondContact O-OG 3.21Å |
| 158 | I | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.2 | -46.8 | 167.3 | -69.5 | 157.5 | 0 | 0 | 0 | 110.1 | Y154 F155 I156 L162 L183 I223 A237 | Y154-I158 HydrophobicContact CD1-CD1 3.85Å; Y154-I158 HydrophobicContact CE1-CD1 3.38Å; Y154-I158 HydrophobicContact CE2-CD1 4.2Å; Y154-I158 HydrophobicContact CG-CD1 4.44Å; Y154-I158 PolarHBondContact O-N 2.94Å; Y154-I158 VanDerWaalsContact O-N 3.15Å; F155-I158 PolarHBondContact O-N 2.92Å; I156-I158 VanDerWaalsContact C-N 3.33Å; I156-I158 PolarHBondContact O-N 3.2Å; I158-L162 HydrophobicContact CG2-CD1 3.64Å; I158-L162 HydrophobicContact CG2-CG 4.44Å; I158-L162 WeakPolarHBondContact O-CB 3Å; I158-L162 WeakPolarHBondContact O-CD1 3.42Å; I158-L162 WeakPolarHBondContact O-CG 3.39Å; I158-L162 PolarHBondContact O-N 2.93Å; I158-L183 HydrophobicContact CD1-CD1 4.23Å; I158-L183 HydrophobicContact CD1-CD2 3.94Å; I158-L183 HydrophobicContact CG2-CD1 4.14Å; I158-I223 HydrophobicContact CD1-CD1 4Å; I158-I223 HydrophobicContact CG1-CD1 4.17Å; I158-I223 HydrophobicContact CG2-CD1 4.04Å; I158-I223 HydrophobicContact CG2-CG1 4.41Å; I158-A237 VanDerWaalsContact CG1-O 3.24Å; I158-A237 WeakPolarHBondContact CG1-O 3.37Å |
| 159 | F | 91.4 | Very high | 84.3 | Confident | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | -177.5 | -78 | -64.3 | 0 | 0 | 0 | 113 | F155 I156 W163 F176 L179 L180 L183 | F155-F159 HydrophobicContact CB-CD2 4.36Å; F155-F159 HydrophobicContact CB-CE2 4.3Å; F155-F159 WeakPolarHBondContact O-CD2 2.99Å; F155-F159 PolarHBondContact O-N 3.31Å; I156-F159 PolarHBondContact O-N 3.23Å; I156-F159 VanDerWaalsContact O-N 3.1Å; F159-W163 VanDerWaalsContact O-CB 3.25Å; F159-W163 WeakPolarHBondContact O-CB 3.14Å; F159-W163 PolarHBondContact O-N 3.33Å; F159-F176 AromaticContact CD1-CD1 3.76Å; F159-F176 HydrophobicContact CD1-CD1 3.76Å; F159-F176 HydrophobicContact CD1-CE1 4.29Å; F159-F176 HydrophobicContact CE1-CB 4.48Å; F159-F176 AromaticContact CE1-CD1 3.89Å; F159-F176 HydrophobicContact CE1-CD1 3.89Å; F159-L179 HydrophobicContact CD1-CD2 4.04Å; F159-L179 HydrophobicContact CE1-CB 4.06Å; F159-L179 HydrophobicContact CE1-CD2 3.62Å; F159-L179 HydrophobicContact CE1-CG 3.92Å; F159-L179 HydrophobicContact CZ-CB 4.4Å; F159-L179 HydrophobicContact CZ-CD2 4.35Å; F159-L179 HydrophobicContact CZ-CG 4.22Å; F159-L180 HydrophobicContact CE2-CD1 4.2Å; F159-L180 HydrophobicContact CZ-CB 3.98Å; F159-L180 HydrophobicContact CZ-CD1 4.42Å; F159-L183 HydrophobicContact CE2-CD1 4.22Å; F159-L183 HydrophobicContact CZ-CD1 4.26Å |
| 160 | T | 90.1 | Very high | 82.6 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -47.8 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | I156 G157 L162 W163 V164 | I156-T160 HydrophobicContact CG2-CG2 4Å; I156-T160 WeakPolarHBondContact O-CG2 3.43Å; I156-T160 PolarHBondContact O-N 2.91Å; I156-T160 PolarHBondContact O-OG1 2.85Å; I156-T160 VanDerWaalsContact O-OG1 3.09Å; G157-T160 PolarHBondContact O-OG1 3.21Å; T160-L162 PolarHBondContact O-N 2.73Å; T160-W163 WeakPolarHBondContact O-CB 3.16Å; T160-W163 PolarHBondContact O-N 3.34Å; T160-W163 VanDerWaalsContact O-N 3.11Å; T160-V164 WeakPolarHBondContact O-CG2 3.19Å; T160-V164 PolarHBondContact O-N 2.89Å |
| 161 | F | 90.3 | Very high | 80.7 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 175.9 | 175.8 | -93.3 | 0 | 0 | 0 | 111.8 | G157 W163 V164 E165 L233 L236 A237 S240 | G157-F161 WeakPolarHBondContact O-CB 3.25Å; F161-W163 VanDerWaalsContact C-N 3.28Å; F161-W163 PolarHBondContact O-N 3.14Å; F161-V164 PolarHBondContact O-N 2.96Å; F161-E165 HydrophobicContact CD1-CG 4.33Å; F161-E165 HydrophobicContact CD2-CG 4.32Å; F161-E165 HydrophobicContact CE1-CG 3.87Å; F161-E165 HydrophobicContact CE2-CG 3.84Å; F161-E165 HydrophobicContact CZ-CG 3.6Å; F161-E165 WeakPolarHBondContact O-CG 3.36Å; F161-E165 PolarHBondContact O-N 3.24Å; F161-L233 HydrophobicContact CE1-CD1 3.7Å; F161-L233 HydrophobicContact CE1-CG 4.48Å; F161-L233 HydrophobicContact CZ-CD1 3.89Å; F161-L236 HydrophobicContact CE1-CB 3.91Å; F161-L236 HydrophobicContact CE2-CB 4.15Å; F161-L236 HydrophobicContact CZ-CB 3.44Å; F161-L236 VanDerWaalsContact CZ-CB 3.44Å; F161-L236 HydrophobicContact CZ-CD1 4.34Å; F161-A237 HydrophobicContact CD1-CB 3.52Å; F161-A237 HydrophobicContact CE1-CB 3.81Å; F161-S240 WeakPolarHBondContact CB-OG 3.42Å; F161-S240 WeakPolarHBondContact CG-OG 3.39Å |
| 162 | L | 87.1 | Confident | 79 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.9 | -30.2 | 176.3 | -69.5 | 172.3 | 0 | 0 | 0 | 112.7 | I158 T160 R166 L179 L227 I229 A237 | I158-L162 HydrophobicContact CG2-CD1 3.64Å; I158-L162 HydrophobicContact CG2-CG 4.44Å; I158-L162 WeakPolarHBondContact O-CB 3Å; I158-L162 WeakPolarHBondContact O-CD1 3.42Å; I158-L162 WeakPolarHBondContact O-CG 3.39Å; I158-L162 PolarHBondContact O-N 2.93Å; T160-L162 PolarHBondContact O-N 2.73Å; L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 WeakPolarHBondContact O-CG 3.43Å; L162-R166 PolarHBondContact O-N 2.91Å; L162-L179 HydrophobicContact CD1-CD2 3.52Å; L162-L227 HydrophobicContact CD1-CD1 3.52Å; L162-L227 HydrophobicContact CD2-CD1 3.77Å; L162-L227 HydrophobicContact CG-CD1 4.3Å; L162-I229 HydrophobicContact CD2-CD1 4.47Å; L162-A237 HydrophobicContact CD2-CB 4Å; L162-A237 HydrophobicContact CG-CB 4.11Å |
| 163 | W | 84.7 | Confident | 77.3 | Confident | 169 Ų | 169 | 81.6 Ų | 81.6 | 64% | 0.64 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69.5 | -36.1 | 173.3 | -175.7 | -79.9 | 0 | 0 | 0 | 112.2 | F159 T160 F161 P167 F176 | F159-W163 VanDerWaalsContact O-CB 3.25Å; F159-W163 WeakPolarHBondContact O-CB 3.14Å; F159-W163 PolarHBondContact O-N 3.33Å; T160-W163 WeakPolarHBondContact O-CB 3.16Å; T160-W163 PolarHBondContact O-N 3.34Å; T160-W163 VanDerWaalsContact O-N 3.11Å; F161-W163 VanDerWaalsContact C-N 3.28Å; F161-W163 PolarHBondContact O-N 3.14Å; W163-P167 WeakPolarHBondContact O-CD 3.3Å; W163-P167 WeakPolarHBondContact O-CG 3.5Å; W163-F176 AromaticContact CE3-CE1 3.95Å; W163-F176 HydrophobicContact CE3-CE1 3.95Å; W163-F176 HydrophobicContact CE3-CE2 4.26Å; W163-F176 AromaticContact CE3-CZ 3.39Å; W163-F176 HydrophobicContact CE3-CZ 3.39Å; W163-F176 HydrophobicContact CZ3-CE1 4.32Å; W163-F176 AromaticContact CZ3-CE2 3.82Å; W163-F176 HydrophobicContact CZ3-CE2 3.82Å; W163-F176 AromaticContact CZ3-CZ 3.41Å; W163-F176 HydrophobicContact CZ3-CZ 3.41Å; W163-F176 VanDerWaalsContact CZ3-CZ 3.41Å |
| 164 | V | 85.3 | Confident | 75.8 | Confident | 100 Ų | 100 | 84.1 Ų | 84.1 | 61% | 0.606 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -77.6 | -37.9 | -179.2 | 171 | 0 | 0 | 0 | 0 | 112.7 | T160 F161 P167 | T160-V164 WeakPolarHBondContact O-CG2 3.19Å; T160-V164 PolarHBondContact O-N 2.89Å; F161-V164 PolarHBondContact O-N 2.96Å; V164-P167 VanDerWaalsContact C-CD 3.45Å; V164-P167 WeakPolarHBondContact O-CD 3.34Å |
| 165 | E | 77.2 | Confident | 75 | Confident | 90 Ų | 90 | 89.2 Ų | 89.2 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -79.5 | -31.5 | -179.4 | -72.7 | -73.9 | 132 | 0 | 0 | 113.5 | F161 L233 | F161-E165 HydrophobicContact CD1-CG 4.33Å; F161-E165 HydrophobicContact CD2-CG 4.32Å; F161-E165 HydrophobicContact CE1-CG 3.87Å; F161-E165 HydrophobicContact CE2-CG 3.84Å; F161-E165 HydrophobicContact CZ-CG 3.6Å; F161-E165 WeakPolarHBondContact O-CG 3.36Å; F161-E165 PolarHBondContact O-N 3.24Å; E165-L233 HydrophobicContact CB-CD1 4.32Å; E165-L233 HydrophobicContact CG-CD1 4.12Å |
| 166 | R | 69.4 | Low | 74.4 | Confident | 65 Ų | 65 | 92.3 Ų | 92.3 | 25% | 0.245 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -76.5 | -18.9 | -176.3 | -70.7 | -69.8 | -164.2 | 142.1 | 5.7 | 118.8 | L162 M168 T169 L227 | L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 WeakPolarHBondContact O-CG 3.43Å; L162-R166 PolarHBondContact O-N 2.91Å; R166-M168 PolarHBondContact O-N 2.95Å; R166-T169 PolarHBondContact O-N 3.25Å; R166-L227 PolarHBondContact NH2-O 3.01Å |
| 167 | P | 59.3 | Low | 74 | Confident | 95 Ų | 95 | 94.4 Ų | 94.4 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -31.7 | -177.7 | -15.5 | 30 | 0 | 0 | 0 | 111.7 | W163 V164 | W163-P167 WeakPolarHBondContact O-CD 3.3Å; W163-P167 WeakPolarHBondContact O-CG 3.5Å; V164-P167 VanDerWaalsContact C-CD 3.45Å; V164-P167 WeakPolarHBondContact O-CD 3.34Å |
| 168 | M | 49.7 | Very low | 73.7 | Confident | 183 Ų | 183 | 96.2 Ų | 96.2 | 90% | 0.901 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.9 | -177.2 | -62.7 | -170.3 | -171.9 | 0 | 0 | 114.1 | R166 | R166-M168 PolarHBondContact O-N 2.95Š|
| 169 | T | 55.4 | Low | 73.6 | Confident | 117 Ų | 117 | 96.5 Ų | 96.5 | 72% | 0.718 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | -0.6 | -163.9 | -17 | 0 | 0 | 0 | 0 | 117.1 | R166 | R166-T169 PolarHBondContact O-N 3.25Š|
| 170 | A | 56.8 | Low | 73.5 | Confident | 47 Ų | 47 | 97.9 Ų | 97.9 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | trans | -137.8 | 121.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 171 | K | 52.7 | Low | 73.4 | Confident | 222 Ų | 222 | 98 Ų | 98 | 97% | 0.965 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -82 | 1.1 | 169.8 | -65.9 | -171.8 | 178 | -175.8 | 0 | 115.1 | ||
| 172 | K | 57 | Low | 73.5 | Confident | 159 Ų | 159 | 96.3 Ų | 96.3 | 69% | 0.691 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -119.2 | 129.3 | 175.9 | -80.6 | -169.6 | 173.3 | -172.8 | 0 | 109.5 | E40 | E40-K172 IonicContact OE1-NZ 2.72Š|
| 173 | K | 56.3 | Low | 73.6 | Confident | 197 Ų | 197 | 95.8 Ų | 95.8 | 86% | 0.857 | 48% | 0.475 | S | S | * | . | trans | -59.7 | 135.3 | 174.3 | -68.7 | -173.6 | 177.5 | -176.4 | 0 | 110.1 | ||||
| 174 | P | 62.4 | Low | 73.9 | Confident | 57 Ų | 57 | 89 Ų | 89 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | trans | -73.1 | 136.7 | 174.8 | 29.4 | -33.7 | 0 | 0 | 0 | 111 | F176 | P174-F176 HydrophobicContact CB-CZ 4.46Å; P174-F176 HydrophobicContact CG-CD2 4.4Å; P174-F176 HydrophobicContact CG-CE1 4.13Å; P174-F176 HydrophobicContact CG-CE2 3.67Å; P174-F176 HydrophobicContact CG-CZ 3.48Å; P174-F176 VanDerWaalsContact CG-CZ 3.48Å; P174-F176 WeakPolarHBondContact O-CD2 3.43Å; P174-F176 PolarHBondContact O-N 3.17Å | ||
| 175 | N | 78.1 | Confident | 74.1 | Confident | 113 Ų | 113 | 85 Ų | 85 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | trans | -79.2 | 83.4 | 174.8 | -71.1 | -21 | 0 | 0 | 0 | 109.8 | I177 L178 L179 | N175-I177 VanDerWaalsContact C-N 3.26Å; N175-I177 PolarHBondContact O-N 3.15Å; N175-L178 HydrophobicContact CB-CB 3.8Å; N175-L178 WeakPolarHBondContact O-CB 3.36Å; N175-L178 PolarHBondContact O-N 3.38Å; N175-L179 PolarHBondContact O-N 2.93Å; N175-L179 VanDerWaalsContact O-N 3.14Å | ||
| 176 | F | 81.4 | Confident | 74.7 | Confident | 81 Ų | 81 | 80.8 Ų | 80.8 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -52.5 | -41.9 | -179.1 | -67.4 | -77 | 0 | 0 | 0 | 113.2 | F159 W163 P174 L178 L179 L180 | F159-F176 AromaticContact CD1-CD1 3.76Å; F159-F176 HydrophobicContact CD1-CD1 3.76Å; F159-F176 HydrophobicContact CD1-CE1 4.29Å; F159-F176 HydrophobicContact CE1-CB 4.48Å; F159-F176 AromaticContact CE1-CD1 3.89Å; F159-F176 HydrophobicContact CE1-CD1 3.89Å; W163-F176 AromaticContact CE3-CE1 3.95Å; W163-F176 HydrophobicContact CE3-CE1 3.95Å; W163-F176 HydrophobicContact CE3-CE2 4.26Å; W163-F176 AromaticContact CE3-CZ 3.39Å; W163-F176 HydrophobicContact CE3-CZ 3.39Å; W163-F176 HydrophobicContact CZ3-CE1 4.32Å; W163-F176 AromaticContact CZ3-CE2 3.82Å; W163-F176 HydrophobicContact CZ3-CE2 3.82Å; W163-F176 AromaticContact CZ3-CZ 3.41Å; W163-F176 HydrophobicContact CZ3-CZ 3.41Å; W163-F176 VanDerWaalsContact CZ3-CZ 3.41Å; P174-F176 HydrophobicContact CB-CZ 4.46Å; P174-F176 HydrophobicContact CG-CD2 4.4Å; P174-F176 HydrophobicContact CG-CE1 4.13Å; P174-F176 HydrophobicContact CG-CE2 3.67Å; P174-F176 HydrophobicContact CG-CZ 3.48Å; P174-F176 VanDerWaalsContact CG-CZ 3.48Å; P174-F176 WeakPolarHBondContact O-CD2 3.43Å; P174-F176 PolarHBondContact O-N 3.17Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 3.36Å; F176-L179 PolarHBondContact O-N 3.1Å; F176-L180 WeakPolarHBondContact O-CB 3.5Å; F176-L180 PolarHBondContact O-N 3.06Å |
| 177 | I | 84.4 | Confident | 75.6 | Confident | 132 Ų | 132 | 77.8 Ų | 77.8 | 68% | 0.677 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.9 | -38.7 | 176.9 | -60.7 | 171.3 | 0 | 0 | 0 | 111.5 | N175 K181 | N175-I177 VanDerWaalsContact C-N 3.26Å; N175-I177 PolarHBondContact O-N 3.15Å; I177-K181 WeakPolarHBondContact O-CB 3.45Å; I177-K181 WeakPolarHBondContact O-CG 3.04Å; I177-K181 PolarHBondContact O-N 3.03Å |
| 178 | L | 87 | Confident | 77 | Confident | 37 Ų | 37 | 74.2 Ų | 74.2 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.4 | -42.2 | 178.8 | -172.9 | 75.4 | 0 | 0 | 0 | 111.2 | L92 F93 N175 F176 K181 A182 T226 | L92-L178 HydrophobicContact CD1-CD1 3.68Å; L92-L178 HydrophobicContact CD1-CG 4.09Å; L92-L178 HydrophobicContact CD2-CG 4.32Å; L92-L178 HydrophobicContact CG-CD1 3.85Å; L92-L178 HydrophobicContact CG-CG 4.17Å; F93-L178 HydrophobicContact CD1-CD2 4.17Å; F93-L178 HydrophobicContact CE1-CD2 3.4Å; F93-L178 VanDerWaalsContact CE1-CD2 3.4Å; F93-L178 HydrophobicContact CZ-CD2 3.93Å; N175-L178 HydrophobicContact CB-CB 3.8Å; N175-L178 WeakPolarHBondContact O-CB 3.36Å; N175-L178 PolarHBondContact O-N 3.38Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 3.36Å; L178-K181 PolarHBondContact O-N 2.91Å; L178-A182 WeakPolarHBondContact O-CB 3.35Å; L178-A182 PolarHBondContact O-N 3.17Å; L178-T226 HydrophobicContact CD2-CG2 3.94Å; L178-T226 HydrophobicContact CG-CG2 4.11Å |
| 179 | L | 89.1 | Confident | 78.8 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.5 | -177.6 | 61.3 | 0 | 0 | 0 | 111.4 | F159 L162 N175 F176 A182 L183 T226 L227 | F159-L179 HydrophobicContact CD1-CD2 4.04Å; F159-L179 HydrophobicContact CE1-CB 4.06Å; F159-L179 HydrophobicContact CE1-CD2 3.62Å; F159-L179 HydrophobicContact CE1-CG 3.92Å; F159-L179 HydrophobicContact CZ-CB 4.4Å; F159-L179 HydrophobicContact CZ-CD2 4.35Å; F159-L179 HydrophobicContact CZ-CG 4.22Å; L162-L179 HydrophobicContact CD1-CD2 3.52Å; N175-L179 PolarHBondContact O-N 2.93Å; N175-L179 VanDerWaalsContact O-N 3.14Å; F176-L179 PolarHBondContact O-N 3.1Å; L179-A182 WeakPolarHBondContact O-CB 3.2Å; L179-A182 PolarHBondContact O-N 3.44Å; L179-L183 HydrophobicContact CD1-CD1 4.37Å; L179-L183 HydrophobicContact CD1-CG 4.33Å; L179-L183 HydrophobicContact CG-CD1 4.1Å; L179-L183 HydrophobicContact CG-CG 4.49Å; L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 VanDerWaalsContact O-CG 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.38Å; L179-L183 PolarHBondContact O-N 3.11Å; L179-T226 HydrophobicContact CB-CG2 4.31Å; L179-T226 HydrophobicContact CD1-CG2 4.18Å; L179-L227 HydrophobicContact CD1-CD1 4.34Å; L179-L227 HydrophobicContact CD1-CG 4.31Å; L179-L227 HydrophobicContact CD2-CD1 4.27Å; L179-L227 HydrophobicContact CD2-CD2 4.43Å |
| 180 | L | 89.7 | Confident | 80.5 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 37% | 0.366 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 173.3 | -177 | 61.9 | 0 | 0 | 0 | 111 | F155 F159 F176 A182 L183 L184 | F155-L180 HydrophobicContact CD2-CD1 4.28Å; F159-L180 HydrophobicContact CE2-CD1 4.2Å; F159-L180 HydrophobicContact CZ-CB 3.98Å; F159-L180 HydrophobicContact CZ-CD1 4.42Å; F176-L180 WeakPolarHBondContact O-CB 3.5Å; F176-L180 PolarHBondContact O-N 3.06Å; L180-A182 VanDerWaalsContact C-N 3.27Å; L180-A182 PolarHBondContact O-N 3.09Å; L180-L183 PolarHBondContact O-N 2.85Å; L180-L184 HydrophobicContact CD1-CD1 4.19Å; L180-L184 HydrophobicContact CD1-CG 4.15Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.28Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 2.81Å |
| 181 | K | 88.9 | Confident | 82.1 | Confident | 69 Ų | 69 | 61.9 Ų | 61.9 | 30% | 0.3 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.3 | -40.3 | 174.1 | -78.3 | -174.4 | 173.5 | -158.8 | 0 | 112.5 | L92 I177 L178 L185 | L92-K181 HydrophobicContact CD1-CB 4.39Å; I177-K181 WeakPolarHBondContact O-CB 3.45Å; I177-K181 WeakPolarHBondContact O-CG 3.04Å; I177-K181 PolarHBondContact O-N 3.03Å; L178-K181 PolarHBondContact O-N 2.91Å; K181-L185 WeakPolarHBondContact O-CB 3.15Å; K181-L185 PolarHBondContact O-N 3.26Å |
| 182 | A | 90.8 | Very high | 83.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L92 L178 L179 L180 L185 S186 A222 T226 | L92-A182 HydrophobicContact CD1-CB 3.82Å; L92-A182 HydrophobicContact CD2-CB 3.75Å; L92-A182 HydrophobicContact CG-CB 4.45Å; L178-A182 WeakPolarHBondContact O-CB 3.35Å; L178-A182 PolarHBondContact O-N 3.17Å; L179-A182 WeakPolarHBondContact O-CB 3.2Å; L179-A182 PolarHBondContact O-N 3.44Å; L180-A182 VanDerWaalsContact C-N 3.27Å; L180-A182 PolarHBondContact O-N 3.09Å; A182-L185 PolarHBondContact O-N 2.98Å; A182-S186 PolarHBondContact O-N 2.97Å; A182-S186 PolarHBondContact O-OG 3.3Å; A182-S186 VanDerWaalsContact O-OG 3.06Å; A182-A222 HydrophobicContact CB-CB 4.28Å; A182-T226 WeakPolarHBondContact CB-OG1 3.25Å |
| 183 | L | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.3 | -40.1 | 178.8 | -72.2 | 173.3 | 0 | 0 | 0 | 113 | F155 I158 F159 L179 L180 L185 S186 S187 I223 | F155-L183 HydrophobicContact CD1-CB 3.99Å; F155-L183 HydrophobicContact CD1-CD1 4Å; F155-L183 HydrophobicContact CD1-CG 4.44Å; F155-L183 HydrophobicContact CE1-CB 3.57Å; F155-L183 HydrophobicContact CE1-CD1 4.42Å; F155-L183 HydrophobicContact CE1-CG 4.39Å; F155-L183 HydrophobicContact CZ-CB 4Å; I158-L183 HydrophobicContact CD1-CD1 4.23Å; I158-L183 HydrophobicContact CD1-CD2 3.94Å; I158-L183 HydrophobicContact CG2-CD1 4.14Å; F159-L183 HydrophobicContact CE2-CD1 4.22Å; F159-L183 HydrophobicContact CZ-CD1 4.26Å; L179-L183 HydrophobicContact CD1-CD1 4.37Å; L179-L183 HydrophobicContact CD1-CG 4.33Å; L179-L183 HydrophobicContact CG-CD1 4.1Å; L179-L183 HydrophobicContact CG-CG 4.49Å; L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 VanDerWaalsContact O-CG 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.38Å; L179-L183 PolarHBondContact O-N 3.11Å; L180-L183 PolarHBondContact O-N 2.85Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-S186 WeakPolarHBondContact CA-OG 3.31Å; L183-S186 PolarHBondContact O-OG 2.94Å; L183-S186 VanDerWaalsContact O-OG 3.13Å; L183-S187 PolarHBondContact O-N 3.21Å; L183-S187 PolarHBondContact O-OG 2.93Å; L183-I223 HydrophobicContact CD2-CD1 4.18Å; L183-I223 HydrophobicContact CD2-CG1 3.81Å |
| 184 | L | 89.9 | Confident | 86.8 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -40 | 171.1 | -67.2 | 169.9 | 0 | 0 | 0 | 110.9 | C104 F155 L180 | C104-L184 HydrophobicContact CB-CD2 3.75Å; C104-L184 WeakPolarHBondContact SG-CD2 3.19Å; F155-L184 HydrophobicContact CE2-CD2 3.73Å; F155-L184 HydrophobicContact CE2-CG 4.4Å; F155-L184 HydrophobicContact CZ-CD2 4.24Å; L180-L184 HydrophobicContact CD1-CD1 4.19Å; L180-L184 HydrophobicContact CD1-CG 4.15Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.28Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 2.81Å |
| 185 | L | 89.2 | Confident | 88 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -55 | 174.5 | -179.9 | 72.4 | 0 | 0 | 0 | 110.9 | I91 L103 K181 A182 L183 S187 Y188 | I91-L185 HydrophobicContact CB-CD2 4.19Å; I91-L185 HydrophobicContact CG2-CD1 4.15Å; I91-L185 HydrophobicContact CG2-CD2 3.43Å; I91-L185 VanDerWaalsContact CG2-CD2 3.43Å; I91-L185 HydrophobicContact CG2-CG 4.44Å; L103-L185 HydrophobicContact CD2-CD1 4.11Å; K181-L185 WeakPolarHBondContact O-CB 3.15Å; K181-L185 PolarHBondContact O-N 3.26Å; A182-L185 PolarHBondContact O-N 2.98Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L185-S187 PolarHBondContact O-N 3.49Å; L185-Y188 WeakPolarHBondContact O-CB 3.36Å; L185-Y188 WeakPolarHBondContact O-CD1 3.33Å; L185-Y188 PolarHBondContact O-N 2.7Å |
| 186 | S | 89.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.3 | -16.4 | -176.1 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | A182 L183 Y188 S218 N219 | A182-S186 PolarHBondContact O-N 2.97Å; A182-S186 PolarHBondContact O-OG 3.3Å; A182-S186 VanDerWaalsContact O-OG 3.06Å; L183-S186 WeakPolarHBondContact CA-OG 3.31Å; L183-S186 PolarHBondContact O-OG 2.94Å; L183-S186 VanDerWaalsContact O-OG 3.13Å; S186-Y188 PolarHBondContact O-N 3.18Å; S186-S218 WeakPolarHBondContact CA-OG 3.27Å; S186-S218 WeakPolarHBondContact CB-OG 3.48Å; S186-S218 PolarHBondContact O-OG 3.42Å; S186-S218 VanDerWaalsContact O-OG 3.07Å; S186-N219 VanDerWaalsContact CB-OD1 3.25Å; S186-N219 WeakPolarHBondContact CB-OD1 3.38Å; S186-N219 PolarHBondContact OG-OD1 3.13Å |
| 187 | S | 88.7 | Confident | 88.6 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -69.4 | -7.9 | 170.5 | -57.2 | 0 | 0 | 0 | 0 | 114 | C107 L183 L185 G189 K190 | C107-S187 PolarHBondContact SG-O 3.09Å; C107-S187 VanDerWaalsContact SG-O 3.34Å; L183-S187 PolarHBondContact O-N 3.21Å; L183-S187 PolarHBondContact O-OG 2.93Å; L185-S187 PolarHBondContact O-N 3.49Å; S187-G189 PolarHBondContact O-N 3.41Å; S187-K190 WeakPolarHBondContact O-CB 3.47Å; S187-K190 WeakPolarHBondContact O-CG 3.35Å; S187-K190 PolarHBondContact O-N 2.66Å |
| 188 | Y | 89.5 | Confident | 88.7 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -52.4 | -25.8 | -179.9 | 72.4 | -108.5 | 0 | 0 | 0 | 113.8 | A80 I81 Y88 L185 S186 K190 L191 F214 | A80-Y188 PolarHBondContact O-OH 3.08Å; I81-Y188 HydrophobicContact CG1-CE2 3.92Å; I81-Y188 PolarHBondContact N-OH 2.87Å; Y88-Y188 PolarHBondContact OH-OH 3.13Å; L185-Y188 WeakPolarHBondContact O-CB 3.36Å; L185-Y188 WeakPolarHBondContact O-CD1 3.33Å; L185-Y188 PolarHBondContact O-N 2.7Å; S186-Y188 PolarHBondContact O-N 3.18Å; Y188-K190 PolarHBondContact O-N 3.5Å; Y188-K190 VanDerWaalsContact O-N 3.12Å; Y188-L191 WeakPolarHBondContact O-CB 3.47Å; Y188-L191 WeakPolarHBondContact O-CG 3.41Å; Y188-L191 PolarHBondContact O-N 3.09Å; Y188-F214 AromaticContact CE2-CE1 3.94Å; Y188-F214 HydrophobicContact CE2-CE1 3.94Å; Y188-F214 AromaticContact CE2-CZ 3.74Å; Y188-F214 HydrophobicContact CE2-CZ 3.74Å; Y188-F214 AromaticContact CZ-CZ 3.98Å; Y188-F214 WeakPolarHBondContact OH-CZ 3.46Å |
| 189 | G | 86.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -59.9 | -20.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S187 L191 L192 | S187-G189 PolarHBondContact O-N 3.41Å; G189-L191 PolarHBondContact O-N 2.79Å; G189-L192 VanDerWaalsContact O-CB 3.3Å; G189-L192 WeakPolarHBondContact O-CB 3.21Å; G189-L192 WeakPolarHBondContact O-CG 3.49Å; G189-L192 PolarHBondContact O-N 2.87Å |
| 190 | K | 90.1 | Very high | 87.7 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 10% | 0.104 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -63.7 | -20.9 | 172.4 | -66.2 | -177.2 | 174 | -174.7 | 0 | 113 | C107 E111 S187 Y188 L192 L193 V215 | C107-K190 HydrophobicContact CB-CB 3.91Å; C107-K190 HydrophobicContact CB-CD 4.14Å; E111-K190 IonicContact OE1-NZ 3.43Å; E111-K190 WeakPolarHBondContact OE2-CE 3.42Å; E111-K190 IonicContact OE2-NZ 3.71Å; E111-K190 PolarHBondContact OE2-NZ 2.62Å; S187-K190 WeakPolarHBondContact O-CB 3.47Å; S187-K190 WeakPolarHBondContact O-CG 3.35Å; S187-K190 PolarHBondContact O-N 2.66Å; Y188-K190 PolarHBondContact O-N 3.5Å; Y188-K190 VanDerWaalsContact O-N 3.12Å; K190-L192 PolarHBondContact O-N 3.36Å; K190-L193 HydrophobicContact CB-CD1 4.43Å; K190-L193 VanDerWaalsContact O-CB 3.24Å; K190-L193 WeakPolarHBondContact O-CB 3.37Å; K190-L193 WeakPolarHBondContact O-CD1 3.37Å; K190-L193 WeakPolarHBondContact O-CG 3.42Å; K190-L193 PolarHBondContact O-N 2.94Å; K190-V215 HydrophobicContact CG-CG2 4.12Å |
| 191 | L | 90.7 | Very high | 87.1 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -68.4 | -22.3 | 172.3 | -59.3 | -177.7 | 0 | 0 | 0 | 113 | L103 F106 Y188 G189 L193 I194 | L103-L191 HydrophobicContact CD1-CD1 3.74Å; L103-L191 HydrophobicContact CD1-CG 4.42Å; F106-L191 HydrophobicContact CB-CD2 3.96Å; Y188-L191 WeakPolarHBondContact O-CB 3.47Å; Y188-L191 WeakPolarHBondContact O-CG 3.41Å; Y188-L191 PolarHBondContact O-N 3.09Å; G189-L191 PolarHBondContact O-N 2.79Å; L191-L193 PolarHBondContact O-N 3.01Å; L191-I194 PolarHBondContact O-N 3.29Å |
| 192 | L | 89.3 | Confident | 86.5 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -69.1 | -10.2 | 175.1 | -57.3 | 177.1 | 0 | 0 | 0 | 112.6 | G189 K190 I194 P195 A196 I211 F214 | G189-L192 VanDerWaalsContact O-CB 3.3Å; G189-L192 WeakPolarHBondContact O-CB 3.21Å; G189-L192 WeakPolarHBondContact O-CG 3.49Å; G189-L192 PolarHBondContact O-N 2.87Å; K190-L192 PolarHBondContact O-N 3.36Å; L192-I194 VanDerWaalsContact C-N 3.3Å; L192-P195 WeakPolarHBondContact O-CD 3.48Å; L192-P195 WeakPolarHBondContact O-CG 3.25Å; L192-A196 WeakPolarHBondContact O-CB 3.3Å; L192-A196 PolarHBondContact O-N 2.88Å; L192-I211 HydrophobicContact CB-CD1 4.1Å; L192-I211 HydrophobicContact CB-CG1 4.23Å; L192-I211 WeakPolarHBondContact O-CD1 3.48Å; L192-F214 HydrophobicContact CD1-CD1 3.86Å; L192-F214 HydrophobicContact CD1-CE1 3.72Å |
| 193 | L | 88.3 | Confident | 86 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 171 | -63 | 175.4 | 0 | 0 | 0 | 112.1 | C110 L114 K190 L191 A196 V197 L208 I211 | C110-L193 HydrophobicContact CB-CD1 4.31Å; L114-L193 HydrophobicContact CB-CD1 4.48Å; L114-L193 HydrophobicContact CD2-CD1 4.15Å; L114-L193 HydrophobicContact CD2-CD2 3.96Å; K190-L193 HydrophobicContact CB-CD1 4.43Å; K190-L193 VanDerWaalsContact O-CB 3.24Å; K190-L193 WeakPolarHBondContact O-CB 3.37Å; K190-L193 WeakPolarHBondContact O-CD1 3.37Å; K190-L193 WeakPolarHBondContact O-CG 3.42Å; K190-L193 PolarHBondContact O-N 2.94Å; L191-L193 PolarHBondContact O-N 3.01Å; L193-A196 PolarHBondContact O-N 3.2Å; L193-V197 WeakPolarHBondContact O-CG2 3.4Å; L193-V197 PolarHBondContact O-N 3.33Å; L193-L208 HydrophobicContact CD2-CD2 3.53Å; L193-I211 HydrophobicContact CD2-CB 4.33Å; L193-I211 HydrophobicContact CD2-CD1 4.01Å; L193-I211 HydrophobicContact CD2-CG2 3.83Å; L193-I211 HydrophobicContact CG-CG2 4.23Å |
| 194 | I | 87.6 | Confident | 85.7 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -59 | -178.7 | -63.6 | 167 | 0 | 0 | 0 | 111.4 | L191 L192 A196 V197 I198 | L191-I194 PolarHBondContact O-N 3.29Å; L192-I194 VanDerWaalsContact C-N 3.3Å; I194-A196 VanDerWaalsContact C-N 3.27Å; I194-A196 PolarHBondContact O-N 3.22Å; I194-V197 PolarHBondContact O-N 3.41Å; I194-I198 HydrophobicContact CG2-CD1 3.56Å; I194-I198 HydrophobicContact CG2-CG1 4.44Å; I194-I198 WeakPolarHBondContact O-CB 3.17Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.24Å; I194-I198 PolarHBondContact O-N 3.47Å |
| 195 | P | 88.3 | Confident | 85.5 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.6 | -28.5 | 177.2 | 26.2 | -35.1 | 0 | 0 | 0 | 113 | L192 V197 W199 | L192-P195 WeakPolarHBondContact O-CD 3.48Å; L192-P195 WeakPolarHBondContact O-CG 3.25Å; P195-V197 VanDerWaalsContact C-N 3.34Å; P195-W199 VanDerWaalsContact O-CB 3.25Å; P195-W199 WeakPolarHBondContact O-CB 3.41Å; P195-W199 PolarHBondContact O-N 3.42Å |
| 196 | A | 87 | Confident | 85.5 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.6 | -25.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L192 L193 I194 I211 | L192-A196 WeakPolarHBondContact O-CB 3.3Å; L192-A196 PolarHBondContact O-N 2.88Å; L193-A196 PolarHBondContact O-N 3.2Å; I194-A196 VanDerWaalsContact C-N 3.27Å; I194-A196 PolarHBondContact O-N 3.22Å; A196-I211 HydrophobicContact CB-CD1 3.77Å |
| 197 | V | 84.7 | Confident | 85.4 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -92.4 | -37.6 | 174.4 | 177 | 0 | 0 | 0 | 0 | 111.4 | Y113 L114 W117 L193 I194 P195 W199 | Y113-V197 HydrophobicContact CE1-CG1 3.98Å; L114-V197 HydrophobicContact CD1-CG2 3.63Å; W117-V197 HydrophobicContact CD2-CG1 4.22Å; W117-V197 HydrophobicContact CG-CG1 4.43Å; L193-V197 WeakPolarHBondContact O-CG2 3.4Å; L193-V197 PolarHBondContact O-N 3.33Å; I194-V197 PolarHBondContact O-N 3.41Å; P195-V197 VanDerWaalsContact C-N 3.34Å; V197-W199 VanDerWaalsContact C-N 3.33Å; V197-W199 PolarHBondContact O-N 2.96Å |
| 198 | I | 86 | Confident | 85.4 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 67% | 0.672 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 176 | -69.2 | 171.5 | 0 | 0 | 0 | 111.3 | I194 E200 | I194-I198 HydrophobicContact CG2-CD1 3.56Å; I194-I198 HydrophobicContact CG2-CG1 4.44Å; I194-I198 WeakPolarHBondContact O-CB 3.17Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.24Å; I194-I198 PolarHBondContact O-N 3.47Å; I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 PolarHBondContact O-N 2.96Å |
| 199 | W | 83.8 | Confident | 85.5 | Confident | 183 Ų | 183 | 77.4 Ų | 77.4 | 69% | 0.693 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -95.5 | 63.6 | -178.4 | -153.2 | -71 | 0 | 0 | 0 | 110.9 | P195 V197 H201 | P195-W199 VanDerWaalsContact O-CB 3.25Å; P195-W199 WeakPolarHBondContact O-CB 3.41Å; P195-W199 PolarHBondContact O-N 3.42Å; V197-W199 VanDerWaalsContact C-N 3.33Å; V197-W199 PolarHBondContact O-N 2.96Å; W199-H201 AromaticContact CD1-CD2 3.58Å; W199-H201 AromaticContact CD1-NE2 3.85Å; W199-H201 AromaticContact NE1-CD2 3.86Å; W199-H201 AromaticContact NE1-NE2 3.32Å; W199-H201 PolarHBondContact NE1-NE2 3.36Å; W199-H201 PolarHBondContact O-N 3.19Å |
| 200 | E | 72.4 | Confident | 85.7 | Confident | 128 Ų | 128 | 83.3 Ų | 83.3 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | trans | -57.3 | 122.1 | -176.2 | -172.2 | 168.7 | -153.1 | 0 | 0 | 112.3 | I198 | I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 PolarHBondContact O-N 2.96Å | ||
| 201 | H | 76.9 | Confident | 85.8 | Confident | 128 Ų | 128 | 82.8 Ų | 82.8 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | trans | -145.2 | 159.2 | -177.4 | -84.8 | -12 | 0 | 0 | 0 | 110.6 | W199 Y203 T204 | W199-H201 AromaticContact CD1-CD2 3.58Å; W199-H201 AromaticContact CD1-NE2 3.85Å; W199-H201 AromaticContact NE1-CD2 3.86Å; W199-H201 AromaticContact NE1-NE2 3.32Å; W199-H201 PolarHBondContact NE1-NE2 3.36Å; W199-H201 PolarHBondContact O-N 3.19Å; H201-Y203 PolarHBondContact O-N 3.28Å; H201-T204 PolarHBondContact N-OG1 3.41Å; H201-T204 WeakPolarHBondContact O-CB 3.29Å; H201-T204 PolarHBondContact O-N 3.07Å; H201-T204 PolarHBondContact O-OG1 2.86Å | ||
| 202 | D | 75.4 | Confident | 85.9 | Confident | 152 Ų | 152 | 86.5 Ų | 86.5 | 81% | 0.813 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -25.3 | 174.2 | -56.7 | -38.6 | 0 | 0 | 0 | 113.3 | ||
| 203 | Y | 80.3 | Confident | 86.1 | Confident | 164 Ų | 164 | 87.7 Ų | 87.7 | 64% | 0.643 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1.8 | -179.6 | -52.5 | -62.1 | 0 | 0 | 0 | 114.9 | H201 L206 C207 | H201-Y203 PolarHBondContact O-N 3.28Å; Y203-L206 HydrophobicContact CD1-CD1 4.22Å; Y203-L206 WeakPolarHBondContact O-CB 3.47Å; Y203-L206 PolarHBondContact O-N 2.85Å; Y203-C207 PolarHBondContact O-N 2.82Å |
| 204 | T | 84.5 | Confident | 86.3 | Confident | 14 Ų | 14 | 88.7 Ų | 88.7 | 9% | 0.086 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -44.8 | -50.7 | 175.5 | -62.9 | 0 | 0 | 0 | 0 | 113.4 | H201 L206 C207 L208 | H201-T204 PolarHBondContact N-OG1 3.41Å; H201-T204 WeakPolarHBondContact O-CB 3.29Å; H201-T204 PolarHBondContact O-N 3.07Å; H201-T204 PolarHBondContact O-OG1 2.86Å; T204-L206 VanDerWaalsContact C-N 3.26Å; T204-L206 PolarHBondContact O-N 3.47Å; T204-C207 WeakPolarHBondContact O-CB 3.49Å; T204-C207 PolarHBondContact O-N 2.96Å; T204-C207 VanDerWaalsContact O-N 3.09Å; T204-L208 HydrophobicContact CG2-CD1 4.06Å; T204-L208 HydrophobicContact CG2-CG 4.28Å; T204-L208 WeakPolarHBondContact O-CG 3.37Å; T204-L208 PolarHBondContact O-N 3.06Å |
| 205 | P | 86 | Confident | 86.6 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 49% | 0.494 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -26.3 | -179.8 | 24.9 | -35.5 | 0 | 0 | 0 | 114.1 | K209 | P205-K209 VanDerWaalsContact O-CG 3.31Å; P205-K209 WeakPolarHBondContact O-CG 3.21Å; P205-K209 PolarHBondContact O-N 3.48Å |
| 206 | L | 88.4 | Confident | 86.9 | Confident | 98 Ų | 98 | 84 Ų | 84 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.8 | -42.1 | 172 | -67.4 | 175.2 | 0 | 0 | 0 | 111 | Y203 T204 L208 K209 L210 | Y203-L206 HydrophobicContact CD1-CD1 4.22Å; Y203-L206 WeakPolarHBondContact O-CB 3.47Å; Y203-L206 PolarHBondContact O-N 2.85Å; T204-L206 VanDerWaalsContact C-N 3.26Å; T204-L206 PolarHBondContact O-N 3.47Å; L206-L208 VanDerWaalsContact C-N 3.35Å; L206-L208 PolarHBondContact O-N 3.33Å; L206-K209 PolarHBondContact O-N 3.19Å; L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.29Å |
| 207 | C | 89.1 | Confident | 87.2 | Confident | 50 Ų | 50 | 86.6 Ų | 86.6 | 34% | 0.338 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 175.2 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | Y203 T204 K209 L210 I211 | Y203-C207 PolarHBondContact O-N 2.82Å; T204-C207 WeakPolarHBondContact O-CB 3.49Å; T204-C207 PolarHBondContact O-N 2.96Å; T204-C207 VanDerWaalsContact O-N 3.09Å; C207-K209 VanDerWaalsContact C-N 3.35Å; C207-K209 PolarHBondContact O-N 3.24Å; C207-L210 WeakPolarHBondContact O-CB 3.48Å; C207-L210 PolarHBondContact O-N 3.16Å; C207-L210 VanDerWaalsContact O-N 3.14Å; C207-I211 WeakPolarHBondContact O-CG1 3.38Å; C207-I211 PolarHBondContact O-N 3.32Å |
| 208 | L | 88.9 | Confident | 87.6 | Confident | 14 Ų | 14 | 86 Ų | 86 | 7% | 0.073 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 177.1 | -64 | 175.9 | 0 | 0 | 0 | 112.6 | L114 L193 T204 L206 I211 K212 | L114-L208 HydrophobicContact CD1-CD1 3.9Å; L114-L208 HydrophobicContact CD1-CD2 3.63Å; L114-L208 HydrophobicContact CD1-CG 4.43Å; L114-L208 HydrophobicContact CD2-CD1 4.49Å; L114-L208 HydrophobicContact CD2-CD2 3.93Å; L114-L208 HydrophobicContact CG-CD2 4.45Å; L193-L208 HydrophobicContact CD2-CD2 3.53Å; T204-L208 HydrophobicContact CG2-CD1 4.06Å; T204-L208 HydrophobicContact CG2-CG 4.28Å; T204-L208 WeakPolarHBondContact O-CG 3.37Å; T204-L208 PolarHBondContact O-N 3.06Å; L206-L208 VanDerWaalsContact C-N 3.35Å; L206-L208 PolarHBondContact O-N 3.33Å; L208-I211 PolarHBondContact O-N 3.39Å; L208-K212 PolarHBondContact O-N 2.83Å |
| 209 | K | 90.4 | Very high | 87.9 | Confident | 139 Ų | 139 | 80.1 Ų | 80.1 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 174 | -74.3 | 171.5 | -177.1 | 177.5 | 0 | 111.7 | P205 L206 C207 K212 V213 | P205-K209 VanDerWaalsContact O-CG 3.31Å; P205-K209 WeakPolarHBondContact O-CG 3.21Å; P205-K209 PolarHBondContact O-N 3.48Å; L206-K209 PolarHBondContact O-N 3.19Å; C207-K209 VanDerWaalsContact C-N 3.35Å; C207-K209 PolarHBondContact O-N 3.24Å; K209-K212 PolarHBondContact O-N 3.36Å; K209-V213 WeakPolarHBondContact O-CG2 3.46Å; K209-V213 PolarHBondContact O-N 3.03Å |
| 210 | L | 92.4 | Very high | 88.4 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 65% | 0.649 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.9 | -40.4 | 176.5 | -69.4 | 173 | 0 | 0 | 0 | 112 | L206 C207 K212 V213 F214 | L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.29Å; C207-L210 WeakPolarHBondContact O-CB 3.48Å; C207-L210 PolarHBondContact O-N 3.16Å; C207-L210 VanDerWaalsContact O-N 3.14Å; L210-K212 PolarHBondContact O-N 2.94Å; L210-V213 PolarHBondContact O-N 3.36Å; L210-F214 VanDerWaalsContact O-CB 3.31Å; L210-F214 WeakPolarHBondContact O-CB 3.42Å; L210-F214 PolarHBondContact O-N 3.01Å |
| 211 | I | 92.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.7 | -67.5 | 165 | 0 | 0 | 0 | 111 | L192 L193 A196 C207 L208 F214 V215 | L192-I211 HydrophobicContact CB-CD1 4.1Å; L192-I211 HydrophobicContact CB-CG1 4.23Å; L192-I211 WeakPolarHBondContact O-CD1 3.48Å; L193-I211 HydrophobicContact CD2-CB 4.33Å; L193-I211 HydrophobicContact CD2-CD1 4.01Å; L193-I211 HydrophobicContact CD2-CG2 3.83Å; L193-I211 HydrophobicContact CG-CG2 4.23Å; A196-I211 HydrophobicContact CB-CD1 3.77Å; C207-I211 WeakPolarHBondContact O-CG1 3.38Å; C207-I211 PolarHBondContact O-N 3.32Å; L208-I211 PolarHBondContact O-N 3.39Å; I211-F214 WeakPolarHBondContact O-CB 3.43Å; I211-F214 PolarHBondContact O-N 3.35Å; I211-V215 WeakPolarHBondContact O-CG2 3.5Å; I211-V215 PolarHBondContact O-N 2.86Å |
| 212 | K | 91.1 | Very high | 90.1 | Very high | 141 Ų | 141 | 62.2 Ų | 62.2 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.1 | -46.5 | 173.9 | -72.4 | -170.7 | 177.2 | -166 | 0 | 112.2 | L208 K209 L210 F214 V215 L216 | L208-K212 PolarHBondContact O-N 2.83Å; K209-K212 PolarHBondContact O-N 3.36Å; L210-K212 PolarHBondContact O-N 2.94Å; K212-F214 VanDerWaalsContact C-N 3.3Å; K212-F214 PolarHBondContact O-N 3.06Å; K212-V215 PolarHBondContact O-N 3.44Å; K212-L216 WeakPolarHBondContact O-CB 3.25Å; K212-L216 PolarHBondContact O-N 2.94Å |
| 213 | V | 93.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 55 Ų | 55 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.7 | K209 L210 L216 T217 | K209-V213 WeakPolarHBondContact O-CG2 3.46Å; K209-V213 PolarHBondContact O-N 3.03Å; L210-V213 PolarHBondContact O-N 3.36Å; V213-L216 PolarHBondContact O-N 3.36Å; V213-T217 WeakPolarHBondContact O-CB 3.43Å; V213-T217 PolarHBondContact O-N 3.45Å; V213-T217 PolarHBondContact O-OG1 3.43Å |
| 214 | F | 94.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -50 | 175.9 | 169.9 | -114.7 | 0 | 0 | 0 | 112.2 | I81 Y188 L192 L210 I211 K212 L216 T217 S218 | I81-F214 HydrophobicContact CB-CZ 4.48Å; I81-F214 HydrophobicContact CG2-CZ 4.2Å; I81-F214 WeakPolarHBondContact O-CE2 3.29Å; Y188-F214 AromaticContact CE2-CE1 3.94Å; Y188-F214 HydrophobicContact CE2-CE1 3.94Å; Y188-F214 AromaticContact CE2-CZ 3.74Å; Y188-F214 HydrophobicContact CE2-CZ 3.74Å; Y188-F214 AromaticContact CZ-CZ 3.98Å; Y188-F214 WeakPolarHBondContact OH-CZ 3.46Å; L192-F214 HydrophobicContact CD1-CD1 3.86Å; L192-F214 HydrophobicContact CD1-CE1 3.72Å; L210-F214 VanDerWaalsContact O-CB 3.31Å; L210-F214 WeakPolarHBondContact O-CB 3.42Å; L210-F214 PolarHBondContact O-N 3.01Å; I211-F214 WeakPolarHBondContact O-CB 3.43Å; I211-F214 PolarHBondContact O-N 3.35Å; K212-F214 VanDerWaalsContact C-N 3.3Å; K212-F214 PolarHBondContact O-N 3.06Å; F214-L216 VanDerWaalsContact C-N 3.3Å; F214-L216 PolarHBondContact O-N 3.32Å; F214-T217 WeakPolarHBondContact O-CB 3.34Å; F214-T217 PolarHBondContact O-N 3.04Å; F214-T217 VanDerWaalsContact O-N 3.15Å; F214-S218 WeakPolarHBondContact O-CB 3.44Å; F214-S218 PolarHBondContact O-N 2.9Å |
| 215 | V | 93.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 176.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | K190 I211 K212 T217 S218 N219 | K190-V215 HydrophobicContact CG-CG2 4.12Å; I211-V215 WeakPolarHBondContact O-CG2 3.5Å; I211-V215 PolarHBondContact O-N 2.86Å; K212-V215 PolarHBondContact O-N 3.44Å; V215-T217 PolarHBondContact O-N 3.3Å; V215-S218 WeakPolarHBondContact O-CB 3.38Å; V215-S218 PolarHBondContact O-N 3.11Å; V215-N219 PolarHBondContact O-N 3.35Å; V215-N219 PolarHBondContact O-ND2 3.3Å |
| 216 | L | 92.8 | Very high | 91.8 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.9 | -174 | 61.8 | 0 | 0 | 0 | 112.4 | K212 V213 F214 S218 N219 F220 M238 L242 | K212-L216 WeakPolarHBondContact O-CB 3.25Å; K212-L216 PolarHBondContact O-N 2.94Å; V213-L216 PolarHBondContact O-N 3.36Å; F214-L216 VanDerWaalsContact C-N 3.3Å; F214-L216 PolarHBondContact O-N 3.32Å; L216-S218 VanDerWaalsContact C-N 3.34Å; L216-N219 PolarHBondContact O-N 2.98Å; L216-F220 PolarHBondContact O-N 2.91Å; L216-M238 HydrophobicContact CD1-CE 4.15Å; L216-M238 HydrophobicContact CD1-CG 3.46Å; L216-M238 VanDerWaalsContact CD1-CG 3.46Å; L216-M238 HydrophobicContact CD1-SD 3.46Å; L216-M238 WeakPolarHBondContact CD1-SD 3.47Å; L216-M238 HydrophobicContact CD2-CE 4.26Å; L216-M238 HydrophobicContact CD2-SD 4.33Å; L216-M238 HydrophobicContact CG-CE 4.19Å; L216-M238 HydrophobicContact CG-CG 4.32Å; L216-M238 HydrophobicContact CG-SD 3.62Å; L216-L242 HydrophobicContact CD1-CD1 3.84Å; L216-L242 HydrophobicContact CD1-CD2 4.06Å; L216-L242 HydrophobicContact CD1-CG 4.1Å; L216-L242 HydrophobicContact CD2-CD1 4Å |
| 217 | T | 93.3 | Very high | 91.6 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 41% | 0.405 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 176.6 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | V213 F214 V215 Q221 | V213-T217 WeakPolarHBondContact O-CB 3.43Å; V213-T217 PolarHBondContact O-N 3.45Å; V213-T217 PolarHBondContact O-OG1 3.43Å; F214-T217 WeakPolarHBondContact O-CB 3.34Å; F214-T217 PolarHBondContact O-N 3.04Å; F214-T217 VanDerWaalsContact O-N 3.15Å; V215-T217 PolarHBondContact O-N 3.3Å; T217-Q221 WeakPolarHBondContact O-CB 3.42Å; T217-Q221 PolarHBondContact O-N 2.91Å |
| 218 | S | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | Y88 S186 F214 V215 L216 Q221 A222 | Y88-S218 PolarHBondContact OH-OG 2.91Å; S186-S218 WeakPolarHBondContact CA-OG 3.27Å; S186-S218 WeakPolarHBondContact CB-OG 3.48Å; S186-S218 PolarHBondContact O-OG 3.42Å; S186-S218 VanDerWaalsContact O-OG 3.07Å; F214-S218 WeakPolarHBondContact O-CB 3.44Å; F214-S218 PolarHBondContact O-N 2.9Å; V215-S218 WeakPolarHBondContact O-CB 3.38Å; V215-S218 PolarHBondContact O-N 3.11Å; L216-S218 VanDerWaalsContact C-N 3.34Å; S218-Q221 PolarHBondContact O-N 3.44Å; S218-Q221 VanDerWaalsContact O-N 3.16Å; S218-A222 PolarHBondContact O-N 3.12Å |
| 219 | N | 92.9 | Very high | 91 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.4 | -71.3 | -21.3 | 0 | 0 | 0 | 111.7 | Y154 S186 V215 L216 Q221 A222 I223 | Y154-N219 HydrophobicContact CE1-CB 4.44Å; Y154-N219 WeakPolarHBondContact CE1-ND2 3.43Å; Y154-N219 WeakPolarHBondContact OH-CB 3.08Å; Y154-N219 PolarHBondContact OH-ND2 3.23Å; S186-N219 VanDerWaalsContact CB-OD1 3.25Å; S186-N219 WeakPolarHBondContact CB-OD1 3.38Å; S186-N219 PolarHBondContact OG-OD1 3.13Å; V215-N219 PolarHBondContact O-N 3.35Å; V215-N219 PolarHBondContact O-ND2 3.3Å; L216-N219 PolarHBondContact O-N 2.98Å; N219-Q221 VanDerWaalsContact C-N 3.27Å; N219-Q221 PolarHBondContact O-N 3.32Å; N219-A222 PolarHBondContact O-N 3.21Å; N219-I223 VanDerWaalsContact O-CG1 3.31Å; N219-I223 WeakPolarHBondContact O-CG1 3.31Å; N219-I223 PolarHBondContact O-N 2.98Å |
| 220 | F | 93.4 | Very high | 90.9 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.3 | -45.4 | 172.2 | 170.2 | -100 | 0 | 0 | 0 | 112 | L216 R224 R231 F235 M238 | L216-F220 PolarHBondContact O-N 2.91Å; F220-R224 WeakPolarHBondContact O-CB 3.36Å; F220-R224 PolarHBondContact O-N 2.72Å; F220-R231 WeakPolarHBondContact CE2-O 3.28Å; F220-R231 HydrophobicContact CZ-CB 4.3Å; F220-F235 HydrophobicContact CD2-CB 4.42Å; F220-F235 HydrophobicContact CE2-CB 4.01Å; F220-M238 HydrophobicContact CB-SD 3.77Å; F220-M238 HydrophobicContact CD2-SD 4.49Å |
| 221 | Q | 93.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | -179.3 | -171.6 | 70.4 | -46.2 | 0 | 0 | 112.2 | C83 Y88 T217 S218 N219 R224 V225 | C83-Q221 PolarHBondContact O-NE2 3.01Å; Y88-Q221 HydrophobicContact CD2-CG 4.24Å; Y88-Q221 HydrophobicContact CE2-CG 4.29Å; Y88-Q221 HydrophobicContact CG-CG 4.45Å; T217-Q221 WeakPolarHBondContact O-CB 3.42Å; T217-Q221 PolarHBondContact O-N 2.91Å; S218-Q221 PolarHBondContact O-N 3.44Å; S218-Q221 VanDerWaalsContact O-N 3.16Å; N219-Q221 VanDerWaalsContact C-N 3.27Å; N219-Q221 PolarHBondContact O-N 3.32Å; Q221-R224 VanDerWaalsContact NE2-NH2 3.12Å; Q221-R224 PolarHBondContact O-N 3.02Å; Q221-V225 HydrophobicContact CG-CG2 4.35Å; Q221-V225 VanDerWaalsContact O-CB 3.3Å; Q221-V225 WeakPolarHBondContact O-CB 3.18Å; Q221-V225 VanDerWaalsContact O-CG2 3.29Å; Q221-V225 WeakPolarHBondContact O-CG2 3.2Å; Q221-V225 PolarHBondContact O-N 2.86Å |
| 222 | A | 92.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y88 A182 S218 N219 R224 V225 T226 | Y88-A222 HydrophobicContact CD1-CB 4.15Å; Y88-A222 HydrophobicContact CE1-CB 4.21Å; A182-A222 HydrophobicContact CB-CB 4.28Å; S218-A222 PolarHBondContact O-N 3.12Å; N219-A222 PolarHBondContact O-N 3.21Å; A222-R224 PolarHBondContact O-N 3.13Å; A222-V225 PolarHBondContact O-N 2.93Å; A222-T226 VanDerWaalsContact O-CB 3.3Å; A222-T226 WeakPolarHBondContact O-CB 3.44Å; A222-T226 PolarHBondContact O-N 2.95Å; A222-T226 PolarHBondContact O-OG1 3.3Å |
| 223 | I | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.7 | -50.7 | 174.5 | -65.6 | 166.9 | 0 | 0 | 0 | 109.8 | I158 L183 N219 V225 T226 L227 I229 A237 | I158-I223 HydrophobicContact CD1-CD1 4Å; I158-I223 HydrophobicContact CG1-CD1 4.17Å; I158-I223 HydrophobicContact CG2-CD1 4.04Å; I158-I223 HydrophobicContact CG2-CG1 4.41Å; L183-I223 HydrophobicContact CD2-CD1 4.18Å; L183-I223 HydrophobicContact CD2-CG1 3.81Å; N219-I223 VanDerWaalsContact O-CG1 3.31Å; N219-I223 WeakPolarHBondContact O-CG1 3.31Å; N219-I223 PolarHBondContact O-N 2.98Å; I223-V225 PolarHBondContact O-N 3.17Å; I223-T226 PolarHBondContact O-N 3.34Å; I223-L227 HydrophobicContact CG2-CD1 3.88Å; I223-L227 VanDerWaalsContact O-CB 3.3Å; I223-L227 WeakPolarHBondContact O-CB 3.35Å; I223-L227 WeakPolarHBondContact O-CG 3.28Å; I223-L227 PolarHBondContact O-N 2.69Å; I223-L227 VanDerWaalsContact O-N 3.09Å; I223-I229 HydrophobicContact CG2-CD1 4.27Å; I223-A237 HydrophobicContact CG2-CB 4.49Å |
| 224 | R | 91.3 | Very high | 90.4 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 24% | 0.242 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | -179.4 | -170.2 | 177.5 | 73.2 | 119.4 | 1.2 | 112.7 | F220 Q221 A222 N228 S234 | F220-R224 WeakPolarHBondContact O-CB 3.36Å; F220-R224 PolarHBondContact O-N 2.72Å; Q221-R224 VanDerWaalsContact NE2-NH2 3.12Å; Q221-R224 PolarHBondContact O-N 3.02Å; A222-R224 PolarHBondContact O-N 3.13Å; R224-N228 VanDerWaalsContact O-CA 3.3Å; R224-N228 WeakPolarHBondContact O-CA 3.3Å; R224-N228 PolarHBondContact O-N 3.23Å; R224-S234 VanDerWaalsContact CA-OG 3.27Å; R224-S234 WeakPolarHBondContact CA-OG 3.27Å; R224-S234 WeakPolarHBondContact CB-OG 3.49Å |
| 225 | V | 90 | Very high | 90.3 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -45.7 | -179.1 | 162.6 | 0 | 0 | 0 | 0 | 111.8 | A85 R89 F93 Q221 A222 I223 | A85-V225 HydrophobicContact CB-CG2 3.84Å; R89-V225 HydrophobicContact CB-CG1 4.47Å; R89-V225 HydrophobicContact CG-CG1 3.46Å; R89-V225 VanDerWaalsContact CG-CG1 3.46Å; F93-V225 HydrophobicContact CE2-CG1 4.4Å; Q221-V225 HydrophobicContact CG-CG2 4.35Å; Q221-V225 VanDerWaalsContact O-CB 3.3Å; Q221-V225 WeakPolarHBondContact O-CB 3.18Å; Q221-V225 VanDerWaalsContact O-CG2 3.29Å; Q221-V225 WeakPolarHBondContact O-CG2 3.2Å; Q221-V225 PolarHBondContact O-N 2.86Å; A222-V225 PolarHBondContact O-N 2.93Å; I223-V225 PolarHBondContact O-N 3.17Å |
| 226 | T | 88.7 | Confident | 90.3 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 8% | 0.08 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | -176.9 | -53 | 0 | 0 | 0 | 0 | 111.7 | L92 L178 L179 A182 A222 I223 | L92-T226 HydrophobicContact CD2-CG2 3.99Å; L92-T226 WeakPolarHBondContact CD2-OG1 3.41Å; L178-T226 HydrophobicContact CD2-CG2 3.94Å; L178-T226 HydrophobicContact CG-CG2 4.11Å; L179-T226 HydrophobicContact CB-CG2 4.31Å; L179-T226 HydrophobicContact CD1-CG2 4.18Å; A182-T226 WeakPolarHBondContact CB-OG1 3.25Å; A222-T226 VanDerWaalsContact O-CB 3.3Å; A222-T226 WeakPolarHBondContact O-CB 3.44Å; A222-T226 PolarHBondContact O-N 2.95Å; A222-T226 PolarHBondContact O-OG1 3.3Å; I223-T226 PolarHBondContact O-N 3.34Å |
| 227 | L | 83.5 | Confident | 90.2 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -94.8 | -13.7 | -170.6 | -63.8 | 179 | 0 | 0 | 0 | 113.8 | L162 R166 L179 I223 I229 | L162-L227 HydrophobicContact CD1-CD1 3.52Å; L162-L227 HydrophobicContact CD2-CD1 3.77Å; L162-L227 HydrophobicContact CG-CD1 4.3Å; R166-L227 PolarHBondContact NH2-O 3.01Å; L179-L227 HydrophobicContact CD1-CD1 4.34Å; L179-L227 HydrophobicContact CD1-CG 4.31Å; L179-L227 HydrophobicContact CD2-CD1 4.27Å; L179-L227 HydrophobicContact CD2-CD2 4.43Å; I223-L227 HydrophobicContact CG2-CD1 3.88Å; I223-L227 VanDerWaalsContact O-CB 3.3Å; I223-L227 WeakPolarHBondContact O-CB 3.35Å; I223-L227 WeakPolarHBondContact O-CG 3.28Å; I223-L227 PolarHBondContact O-N 2.69Å; I223-L227 VanDerWaalsContact O-N 3.09Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 HydrophobicContact CB-CD1 4.07Å; L227-I229 HydrophobicContact CB-CG1 3.99Å; L227-I229 HydrophobicContact CB-CG2 4.05Å; L227-I229 HydrophobicContact CD1-CD1 4Å; L227-I229 PolarHBondContact O-N 3.03Å |
| 228 | N | 84.4 | Confident | 90.2 | Very high | 93 Ų | 93 | 49.6 Ų | 49.6 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 45.3 | -177 | -159.5 | 54.4 | 0 | 0 | 0 | 113.3 | R224 | R224-N228 VanDerWaalsContact O-CA 3.3Å; R224-N228 WeakPolarHBondContact O-CA 3.3Å; R224-N228 PolarHBondContact O-N 3.23Å |
| 229 | I | 82.8 | Confident | 90.2 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | trans | -104.2 | 164.8 | -175.6 | 54.5 | 177.6 | 0 | 0 | 0 | 113 | L162 I223 L227 L233 S234 | L162-I229 HydrophobicContact CD2-CD1 4.47Å; I223-I229 HydrophobicContact CG2-CD1 4.27Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 HydrophobicContact CB-CD1 4.07Å; L227-I229 HydrophobicContact CB-CG1 3.99Å; L227-I229 HydrophobicContact CB-CG2 4.05Å; L227-I229 HydrophobicContact CD1-CD1 4Å; L227-I229 PolarHBondContact O-N 3.03Å; I229-L233 HydrophobicContact CB-CD2 4.24Å; I229-L233 HydrophobicContact CD1-CB 4.12Å; I229-L233 HydrophobicContact CD1-CD2 3.99Å; I229-L233 HydrophobicContact CD1-CG 3.98Å; I229-L233 HydrophobicContact CG2-CD2 4.13Å; I229-S234 WeakPolarHBondContact CD1-OG 3.46Å; I229-S234 VanDerWaalsContact CG1-OG 3.27Å; I229-S234 WeakPolarHBondContact CG1-OG 3.28Å | ||
| 230 | N | 87 | Confident | 90.3 | Very high | 132 Ų | 132 | 52.5 Ų | 52.5 | 71% | 0.706 | 25% | 0.249 | S | C | * | . | trans | -56.4 | 142.3 | 173.1 | -70.6 | -24.5 | 0 | 0 | 0 | 111.7 | K232 L233 S234 | N230-K232 PolarHBondContact O-N 3.5Å; N230-K232 VanDerWaalsContact O-N 3.13Å; N230-L233 PolarHBondContact O-N 2.97Å; N230-S234 PolarHBondContact O-N 3.37Å | ||
| 231 | R | 89.5 | Confident | 90.2 | Very high | 183 Ų | 183 | 50.4 Ų | 50.4 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -52.3 | -38.7 | -179.6 | -60 | -176 | -169 | -171.2 | 2.9 | 112.6 | F220 S234 F235 | F220-R231 WeakPolarHBondContact CE2-O 3.28Å; F220-R231 HydrophobicContact CZ-CB 4.3Å; R231-S234 PolarHBondContact O-N 2.91Å; R231-F235 WeakPolarHBondContact O-CB 3.46Å; R231-F235 PolarHBondContact O-N 3.33Å |
| 232 | K | 90.3 | Very high | 90.2 | Very high | 178 Ų | 178 | 52.1 Ų | 52.1 | 77% | 0.774 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59 | -46.6 | 176.9 | -66.2 | -170.6 | 177.1 | -173 | 0 | 112.4 | N230 F235 L236 | N230-K232 PolarHBondContact O-N 3.5Å; N230-K232 VanDerWaalsContact O-N 3.13Å; K232-F235 PolarHBondContact O-N 3.46Å; K232-L236 WeakPolarHBondContact O-CG 3.46Å; K232-L236 PolarHBondContact O-N 2.8Å |
| 233 | L | 89.2 | Confident | 90.3 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.199 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.2 | -37.1 | -178.1 | -171.1 | 67.7 | 0 | 0 | 0 | 112 | F161 E165 I229 N230 F235 L236 A237 | F161-L233 HydrophobicContact CE1-CD1 3.7Å; F161-L233 HydrophobicContact CE1-CG 4.48Å; F161-L233 HydrophobicContact CZ-CD1 3.89Å; E165-L233 HydrophobicContact CB-CD1 4.32Å; E165-L233 HydrophobicContact CG-CD1 4.12Å; I229-L233 HydrophobicContact CB-CD2 4.24Å; I229-L233 HydrophobicContact CD1-CB 4.12Å; I229-L233 HydrophobicContact CD1-CD2 3.99Å; I229-L233 HydrophobicContact CD1-CG 3.98Å; I229-L233 HydrophobicContact CG2-CD2 4.13Å; N230-L233 PolarHBondContact O-N 2.97Å; L233-F235 VanDerWaalsContact C-N 3.29Å; L233-F235 PolarHBondContact O-N 3.18Å; L233-L236 PolarHBondContact O-N 3.09Å; L233-A237 WeakPolarHBondContact O-CB 3.32Å; L233-A237 PolarHBondContact O-N 3.33Å |
| 234 | S | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 170.3 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | R224 I229 N230 R231 M238 | R224-S234 VanDerWaalsContact CA-OG 3.27Å; R224-S234 WeakPolarHBondContact CA-OG 3.27Å; R224-S234 WeakPolarHBondContact CB-OG 3.49Å; I229-S234 WeakPolarHBondContact CD1-OG 3.46Å; I229-S234 VanDerWaalsContact CG1-OG 3.27Å; I229-S234 WeakPolarHBondContact CG1-OG 3.28Å; N230-S234 PolarHBondContact O-N 3.37Å; R231-S234 PolarHBondContact O-N 2.91Å; S234-M238 WeakPolarHBondContact O-CB 3.36Å; S234-M238 PolarHBondContact O-N 2.92Å; S234-M238 VanDerWaalsContact O-N 3.13Å |
| 235 | F | 91.8 | Very high | 90.4 | Very high | 112 Ų | 112 | 59.4 Ų | 59.4 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.1 | -45 | 178.6 | -176.7 | -98.9 | 0 | 0 | 0 | 111.4 | F220 R231 K232 L233 A237 M238 V239 | F220-F235 HydrophobicContact CD2-CB 4.42Å; F220-F235 HydrophobicContact CE2-CB 4.01Å; R231-F235 WeakPolarHBondContact O-CB 3.46Å; R231-F235 PolarHBondContact O-N 3.33Å; K232-F235 PolarHBondContact O-N 3.46Å; L233-F235 VanDerWaalsContact C-N 3.29Å; L233-F235 PolarHBondContact O-N 3.18Å; F235-A237 PolarHBondContact O-N 3.41Å; F235-M238 HydrophobicContact CD2-CE 3.64Å; F235-M238 HydrophobicContact CE2-CE 3.57Å; F235-M238 HydrophobicContact CZ-CE 4.44Å; F235-M238 WeakPolarHBondContact O-CB 3.46Å; F235-M238 PolarHBondContact O-N 2.94Å; F235-V239 HydrophobicContact CD1-CG2 4.13Å; F235-V239 HydrophobicContact CE1-CG2 3.75Å; F235-V239 HydrophobicContact CE2-CG2 4.43Å; F235-V239 HydrophobicContact CZ-CG2 3.91Å; F235-V239 WeakPolarHBondContact O-CG2 3.43Å; F235-V239 PolarHBondContact O-N 2.98Å |
| 236 | L | 92.7 | Very high | 90.4 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 47% | 0.466 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.7 | -69.3 | 169.5 | 0 | 0 | 0 | 112.2 | F161 K232 L233 M238 V239 S240 | F161-L236 HydrophobicContact CE1-CB 3.91Å; F161-L236 HydrophobicContact CE2-CB 4.15Å; F161-L236 HydrophobicContact CZ-CB 3.44Å; F161-L236 VanDerWaalsContact CZ-CB 3.44Å; F161-L236 HydrophobicContact CZ-CD1 4.34Å; K232-L236 WeakPolarHBondContact O-CG 3.46Å; K232-L236 PolarHBondContact O-N 2.8Å; L233-L236 PolarHBondContact O-N 3.09Å; L236-M238 VanDerWaalsContact C-N 3.3Å; L236-M238 PolarHBondContact O-N 2.88Å; L236-V239 PolarHBondContact O-N 3.37Å; L236-S240 PolarHBondContact O-N 2.95Å; L236-S240 PolarHBondContact O-OG 3.31Å |
| 237 | A | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I158 F161 L162 I223 L233 F235 S240 G241 | I158-A237 VanDerWaalsContact CG1-O 3.24Å; I158-A237 WeakPolarHBondContact CG1-O 3.37Å; F161-A237 HydrophobicContact CD1-CB 3.52Å; F161-A237 HydrophobicContact CE1-CB 3.81Å; L162-A237 HydrophobicContact CD2-CB 4Å; L162-A237 HydrophobicContact CG-CB 4.11Å; I223-A237 HydrophobicContact CG2-CB 4.49Å; L233-A237 WeakPolarHBondContact O-CB 3.32Å; L233-A237 PolarHBondContact O-N 3.33Å; F235-A237 PolarHBondContact O-N 3.41Å; A237-S240 PolarHBondContact O-OG 3.45Å; A237-G241 PolarHBondContact O-N 3.23Å |
| 238 | M | 94 | Very high | 90.9 | Very high | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.059 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.1 | -41 | 174.2 | -179.2 | -160.9 | 77.9 | 0 | 0 | 111.3 | L216 F220 S234 F235 L236 G241 L242 | L216-M238 HydrophobicContact CD1-CE 4.15Å; L216-M238 HydrophobicContact CD1-CG 3.46Å; L216-M238 VanDerWaalsContact CD1-CG 3.46Å; L216-M238 HydrophobicContact CD1-SD 3.46Å; L216-M238 WeakPolarHBondContact CD1-SD 3.47Å; L216-M238 HydrophobicContact CD2-CE 4.26Å; L216-M238 HydrophobicContact CD2-SD 4.33Å; L216-M238 HydrophobicContact CG-CE 4.19Å; L216-M238 HydrophobicContact CG-CG 4.32Å; L216-M238 HydrophobicContact CG-SD 3.62Å; F220-M238 HydrophobicContact CB-SD 3.77Å; F220-M238 HydrophobicContact CD2-SD 4.49Å; S234-M238 WeakPolarHBondContact O-CB 3.36Å; S234-M238 PolarHBondContact O-N 2.92Å; S234-M238 VanDerWaalsContact O-N 3.13Å; F235-M238 HydrophobicContact CD2-CE 3.64Å; F235-M238 HydrophobicContact CE2-CE 3.57Å; F235-M238 HydrophobicContact CZ-CE 4.44Å; F235-M238 WeakPolarHBondContact O-CB 3.46Å; F235-M238 PolarHBondContact O-N 2.94Å; L236-M238 VanDerWaalsContact C-N 3.3Å; L236-M238 PolarHBondContact O-N 2.88Å; M238-G241 PolarHBondContact O-N 3.43Å; M238-L242 PolarHBondContact O-N 2.93Å; M238-L242 VanDerWaalsContact O-N 3.09Å |
| 239 | V | 93.7 | Very high | 91.1 | Very high | 46 Ų | 46 | 66.6 Ų | 66.6 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | F235 L236 G241 L242 L243 | F235-V239 HydrophobicContact CD1-CG2 4.13Å; F235-V239 HydrophobicContact CE1-CG2 3.75Å; F235-V239 HydrophobicContact CE2-CG2 4.43Å; F235-V239 HydrophobicContact CZ-CG2 3.91Å; F235-V239 WeakPolarHBondContact O-CG2 3.43Å; F235-V239 PolarHBondContact O-N 2.98Å; L236-V239 PolarHBondContact O-N 3.37Å; V239-G241 VanDerWaalsContact C-N 3.31Å; V239-G241 PolarHBondContact O-N 3.39Å; V239-L242 PolarHBondContact O-N 2.91Å; V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 HydrophobicContact CG1-CG 4.29Å; V239-L243 VanDerWaalsContact O-CG 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.24Å; V239-L243 PolarHBondContact O-N 3.29Å |
| 240 | S | 93.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 175.6 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | G157 F161 L236 A237 L244 | G157-S240 PolarHBondContact O-OG 3.21Å; F161-S240 WeakPolarHBondContact CB-OG 3.42Å; F161-S240 WeakPolarHBondContact CG-OG 3.39Å; L236-S240 PolarHBondContact O-N 2.95Å; L236-S240 PolarHBondContact O-OG 3.31Å; A237-S240 PolarHBondContact O-OG 3.45Å; S240-L244 PolarHBondContact O-N 2.68Å |
| 241 | G | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.5 | -53.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y154 A237 M238 V239 L243 L244 E245 | Y154-G241 VanDerWaalsContact CD2-C 3.44Å; Y154-G241 WeakPolarHBondContact O-CA 3.46Å; A237-G241 PolarHBondContact O-N 3.23Å; M238-G241 PolarHBondContact O-N 3.43Å; V239-G241 VanDerWaalsContact C-N 3.31Å; V239-G241 PolarHBondContact O-N 3.39Å; G241-L243 VanDerWaalsContact C-N 3.29Å; G241-L243 PolarHBondContact O-N 2.92Å; G241-L244 PolarHBondContact O-N 2.93Å; G241-E245 WeakPolarHBondContact O-CB 3.37Å; G241-E245 PolarHBondContact O-N 3.44Å |
| 242 | L | 93.1 | Very high | 91.2 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 178.8 | -73 | 178.4 | 0 | 0 | 0 | 113.3 | Y154 L216 M238 V239 S246 | Y154-L242 HydrophobicContact CD2-CD2 4.27Å; Y154-L242 HydrophobicContact CE2-CD2 3.94Å; Y154-L242 HydrophobicContact CE2-CG 4.07Å; L216-L242 HydrophobicContact CD1-CD1 3.84Å; L216-L242 HydrophobicContact CD1-CD2 4.06Å; L216-L242 HydrophobicContact CD1-CG 4.1Å; L216-L242 HydrophobicContact CD2-CD1 4Å; M238-L242 PolarHBondContact O-N 2.93Å; M238-L242 VanDerWaalsContact O-N 3.09Å; V239-L242 PolarHBondContact O-N 2.91Å; L242-S246 WeakPolarHBondContact O-CB 3.48Å; L242-S246 PolarHBondContact O-N 3.46Å; L242-S246 PolarHBondContact O-OG 2.96Å |
| 243 | L | 93.9 | Very high | 90.9 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 177.4 | -74.1 | 170.5 | 0 | 0 | 0 | 111.3 | V239 G241 S246 I247 | V239-L243 HydrophobicContact CG1-CD1 4.01Å; V239-L243 HydrophobicContact CG1-CG 4.29Å; V239-L243 VanDerWaalsContact O-CG 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.24Å; V239-L243 PolarHBondContact O-N 3.29Å; G241-L243 VanDerWaalsContact C-N 3.29Å; G241-L243 PolarHBondContact O-N 2.92Å; L243-S246 PolarHBondContact O-N 2.9Å; L243-I247 WeakPolarHBondContact O-CB 3.27Å; L243-I247 WeakPolarHBondContact O-CD1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.4Å; L243-I247 PolarHBondContact O-N 3.44Å |
| 244 | L | 92.3 | Very high | 90.6 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.1 | -34.2 | 177.6 | -87.8 | 162.5 | 0 | 0 | 0 | 113.1 | S240 G241 M248 | S240-L244 PolarHBondContact O-N 2.68Å; G241-L244 PolarHBondContact O-N 2.93Å; L244-M248 WeakPolarHBondContact O-CG 3.49Å; L244-M248 PolarHBondContact O-N 3.37Å |
| 245 | E | 92.6 | Very high | 89.9 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58 | -51.3 | 166.9 | -176.6 | -173.1 | 150.7 | 0 | 0 | 110.9 | E150 Y154 G241 I247 M248 V249 | E150-E245 HydrophobicContact CB-CG 4.28Å; Y154-E245 WeakPolarHBondContact CD2-OE2 3.48Å; G241-E245 WeakPolarHBondContact O-CB 3.37Å; G241-E245 PolarHBondContact O-N 3.44Å; E245-I247 PolarHBondContact O-N 3.19Å; E245-M248 PolarHBondContact O-N 3.02Å; E245-V249 WeakPolarHBondContact O-CG2 3.27Å; E245-V249 PolarHBondContact O-N 3.38Å |
| 246 | S | 90.5 | Very high | 89.1 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 113 | L242 L243 V249 Y250 | L242-S246 WeakPolarHBondContact O-CB 3.48Å; L242-S246 PolarHBondContact O-N 3.46Å; L242-S246 PolarHBondContact O-OG 2.96Å; L243-S246 PolarHBondContact O-N 2.9Å; S246-V249 PolarHBondContact O-N 3.28Å; S246-Y250 WeakPolarHBondContact O-CB 3.34Å; S246-Y250 PolarHBondContact O-N 3.09Å |
| 247 | I | 91.1 | Very high | 87.7 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 52% | 0.518 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.4 | -71.4 | 162.1 | 0 | 0 | 0 | 110.7 | L243 E245 Y250 F251 | L243-I247 WeakPolarHBondContact O-CB 3.27Å; L243-I247 WeakPolarHBondContact O-CD1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.4Å; L243-I247 PolarHBondContact O-N 3.44Å; E245-I247 PolarHBondContact O-N 3.19Å; I247-Y250 PolarHBondContact O-N 3.37Å; I247-F251 WeakPolarHBondContact O-CB 3.28Å; I247-F251 PolarHBondContact O-N 3.08Å |
| 248 | M | 90.9 | Very high | 86.5 | Confident | 82 Ų | 82 | 76.3 Ų | 76.3 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 175.2 | -78.3 | -72.4 | -157.7 | 0 | 0 | 111.8 | A153 L244 E245 Y250 F251 F252 | A153-M248 HydrophobicContact CB-CB 4.18Å; A153-M248 HydrophobicContact CB-CE 4.48Å; A153-M248 HydrophobicContact CB-CG 3.61Å; L244-M248 WeakPolarHBondContact O-CG 3.49Å; L244-M248 PolarHBondContact O-N 3.37Å; E245-M248 PolarHBondContact O-N 3.02Å; M248-Y250 VanDerWaalsContact C-N 3.32Å; M248-Y250 PolarHBondContact O-N 3.23Å; M248-F251 PolarHBondContact O-N 3.23Å; M248-F252 VanDerWaalsContact O-CD2 3.24Å; M248-F252 WeakPolarHBondContact O-CD2 3.49Å; M248-F252 PolarHBondContact O-N 2.85Å; M248-F252 HydrophobicContact SD-CE2 4.49Å |
| 249 | V | 88.6 | Confident | 85.1 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111 | E150 E245 S246 F251 F252 Q253 | E150-V249 HydrophobicContact CG-CG2 3.73Å; E245-V249 WeakPolarHBondContact O-CG2 3.27Å; E245-V249 PolarHBondContact O-N 3.38Å; S246-V249 PolarHBondContact O-N 3.28Å; V249-F251 PolarHBondContact O-N 3.12Å; V249-F252 PolarHBondContact O-N 2.91Å; V249-Q253 WeakPolarHBondContact O-CG 3.47Å; V249-Q253 PolarHBondContact O-N 3.08Å |
| 250 | Y | 88.9 | Confident | 83.4 | Confident | 165 Ų | 165 | 79.7 Ų | 79.7 | 65% | 0.647 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 176.4 | 177.8 | -93.3 | 0 | 0 | 0 | 112.2 | S246 I247 M248 Q253 S254 | S246-Y250 WeakPolarHBondContact O-CB 3.34Å; S246-Y250 PolarHBondContact O-N 3.09Å; I247-Y250 PolarHBondContact O-N 3.37Å; M248-Y250 VanDerWaalsContact C-N 3.32Å; M248-Y250 PolarHBondContact O-N 3.23Å; Y250-Q253 PolarHBondContact O-N 3.47Å; Y250-S254 PolarHBondContact O-N 3.37Å |
| 251 | F | 88.1 | Confident | 81.7 | Confident | 122 Ų | 122 | 81.3 Ų | 81.3 | 54% | 0.535 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.6 | -174.4 | -93.4 | 0 | 0 | 0 | 112.2 | I247 M248 V249 S254 M255 | I247-F251 WeakPolarHBondContact O-CB 3.28Å; I247-F251 PolarHBondContact O-N 3.08Å; M248-F251 PolarHBondContact O-N 3.23Å; V249-F251 PolarHBondContact O-N 3.12Å; F251-S254 PolarHBondContact O-N 3.24Å; F251-M255 HydrophobicContact CE1-SD 4.28Å; F251-M255 WeakPolarHBondContact O-CB 3.29Å; F251-M255 PolarHBondContact O-N 3.45Å |
| 252 | F | 85.1 | Confident | 79.9 | Confident | 47 Ų | 47 | 86.4 Ų | 86.4 | 21% | 0.206 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.1 | -84.6 | -69.6 | 0 | 0 | 0 | 112.3 | L149 M248 V249 S254 M255 E256 | L149-F252 HydrophobicContact CB-CE2 4.48Å; L149-F252 HydrophobicContact CD1-CE1 4.39Å; L149-F252 HydrophobicContact CD1-CE2 4.15Å; L149-F252 HydrophobicContact CD1-CZ 3.67Å; M248-F252 VanDerWaalsContact O-CD2 3.24Å; M248-F252 WeakPolarHBondContact O-CD2 3.49Å; M248-F252 PolarHBondContact O-N 2.85Å; M248-F252 HydrophobicContact SD-CE2 4.49Å; V249-F252 PolarHBondContact O-N 2.91Å; F252-S254 PolarHBondContact O-N 3.14Å; F252-M255 HydrophobicContact CD1-CE 4.05Å; F252-M255 HydrophobicContact CE1-CE 4.03Å; F252-M255 PolarHBondContact O-N 2.89Å; F252-E256 WeakPolarHBondContact O-CB 3.03Å; F252-E256 WeakPolarHBondContact O-CG 3.46Å; F252-E256 PolarHBondContact O-N 3.2Å |
| 253 | Q | 83.4 | Confident | 77.8 | Confident | 121 Ų | 121 | 87.9 Ų | 87.9 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 176.5 | -73 | 176.3 | -13.8 | 0 | 0 | 112.5 | V249 Y250 W257 | V249-Q253 WeakPolarHBondContact O-CG 3.47Å; V249-Q253 PolarHBondContact O-N 3.08Å; Y250-Q253 PolarHBondContact O-N 3.47Å; Q253-W257 WeakPolarHBondContact O-CB 3.44Å; Q253-W257 PolarHBondContact O-N 3.15Å |
| 254 | S | 81.8 | Confident | 75.9 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 34% | 0.336 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 174.8 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | Y250 F251 F252 E256 W257 D258 | Y250-S254 PolarHBondContact O-N 3.37Å; F251-S254 PolarHBondContact O-N 3.24Å; F252-S254 PolarHBondContact O-N 3.14Å; S254-E256 PolarHBondContact O-N 3.33Å; S254-W257 WeakPolarHBondContact O-CB 3.36Å; S254-W257 PolarHBondContact O-N 3.15Å; S254-D258 PolarHBondContact O-N 3.43Å |
| 255 | M | 77.2 | Confident | 73.8 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | -179 | -167.8 | 177.5 | 70.4 | 0 | 0 | 112.6 | F251 F252 V259 | F251-M255 HydrophobicContact CE1-SD 4.28Å; F251-M255 WeakPolarHBondContact O-CB 3.29Å; F251-M255 PolarHBondContact O-N 3.45Å; F252-M255 HydrophobicContact CD1-CE 4.05Å; F252-M255 HydrophobicContact CE1-CE 4.03Å; F252-M255 PolarHBondContact O-N 2.89Å; M255-V259 WeakPolarHBondContact O-CB 3.49Å; M255-V259 VanDerWaalsContact O-CG2 3.29Å; M255-V259 WeakPolarHBondContact O-CG2 3.49Å; M255-V259 PolarHBondContact O-N 3.03Å; M255-V259 VanDerWaalsContact O-N 3.08Å |
| 256 | E | 75.8 | Confident | 71.6 | Confident | 80 Ų | 80 | 91.8 Ų | 91.8 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 172.8 | -74.5 | -179.1 | 154.7 | 0 | 0 | 112.3 | R142 F252 S254 G260 | R142-E256 IonicContact CZ-OE1 2.68Å; R142-E256 IonicContact NE-OE1 3.43Å; R142-E256 PolarHBondContact NE-OE1 3.47Å; R142-E256 VanDerWaalsContact NH2-CD 3.31Å; R142-E256 IonicContact NH2-OE1 3.37Å; R142-E256 PolarHBondContact NH2-OE1 2.92Å; F252-E256 WeakPolarHBondContact O-CB 3.03Å; F252-E256 WeakPolarHBondContact O-CG 3.46Å; F252-E256 PolarHBondContact O-N 3.2Å; S254-E256 PolarHBondContact O-N 3.33Å; E256-G260 PolarHBondContact O-N 2.92Å |
| 257 | W | 62.3 | Low | 69.3 | Low | 201 Ų | 201 | 95.7 Ų | 95.7 | 76% | 0.761 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.6 | -46.5 | 174.5 | -173.6 | -77.2 | 0 | 0 | 0 | 111.9 | Q253 S254 G260 S261 | Q253-W257 WeakPolarHBondContact O-CB 3.44Å; Q253-W257 PolarHBondContact O-N 3.15Å; S254-W257 WeakPolarHBondContact O-CB 3.36Å; S254-W257 PolarHBondContact O-N 3.15Å; W257-G260 PolarHBondContact O-N 3.33Å; W257-S261 PolarHBondContact O-N 3.47Å |
| 258 | D | 65.9 | Low | 67.3 | Low | 88 Ų | 88 | 94.8 Ų | 94.8 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 179.4 | -66.5 | -32 | 0 | 0 | 0 | 111.1 | S254 G260 S261 D262 | S254-D258 PolarHBondContact O-N 3.43Å; D258-G260 VanDerWaalsContact C-N 3.31Å; D258-G260 PolarHBondContact O-N 3.37Å; D258-S261 WeakPolarHBondContact O-CB 3.27Å; D258-S261 PolarHBondContact O-N 3.43Å; D258-S261 VanDerWaalsContact O-N 3.15Å; D258-D262 PolarHBondContact O-N 3.13Å |
| 259 | V | 65 | Low | 65.4 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | M255 C263 | M255-V259 WeakPolarHBondContact O-CB 3.49Å; M255-V259 VanDerWaalsContact O-CG2 3.29Å; M255-V259 WeakPolarHBondContact O-CG2 3.49Å; M255-V259 PolarHBondContact O-N 3.03Å; M255-V259 VanDerWaalsContact O-N 3.08Å; V259-C263 WeakPolarHBondContact O-CB 3.17Å; V259-C263 PolarHBondContact O-N 2.83Å |
| 260 | G | 59.6 | Low | 63.3 | Low | 43 Ų | 43 | 101.3 Ų | 101.3 | 44% | 0.443 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E256 W257 D258 A264 | E256-G260 PolarHBondContact O-N 2.92Å; W257-G260 PolarHBondContact O-N 3.33Å; D258-G260 VanDerWaalsContact C-N 3.31Å; D258-G260 PolarHBondContact O-N 3.37Å; G260-A264 WeakPolarHBondContact O-CB 3.48Å; G260-A264 PolarHBondContact O-N 2.93Å; G260-A264 VanDerWaalsContact O-N 3.08Å |
| 261 | S | 55.8 | Low | 61 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | W257 D258 C263 A264 I265 | W257-S261 PolarHBondContact O-N 3.47Å; D258-S261 WeakPolarHBondContact O-CB 3.27Å; D258-S261 PolarHBondContact O-N 3.43Å; D258-S261 VanDerWaalsContact O-N 3.15Å; S261-C263 PolarHBondContact O-N 3.49Å; S261-A264 WeakPolarHBondContact O-CB 3.41Å; S261-A264 PolarHBondContact O-N 3.09Å; S261-A264 VanDerWaalsContact O-N 3.15Å; S261-I265 WeakPolarHBondContact O-CG1 3.33Å; S261-I265 PolarHBondContact O-N 2.66Å |
| 262 | D | 55.3 | Low | 59.6 | Low | 107 Ų | 107 | 103.9 Ų | 103.9 | 57% | 0.572 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 179.8 | -73.3 | -20.1 | 0 | 0 | 0 | 112.3 | D258 A264 I265 Y266 | D258-D262 PolarHBondContact O-N 3.13Å; D262-A264 VanDerWaalsContact C-N 3.34Å; D262-A264 PolarHBondContact O-N 3.09Å; D262-I265 PolarHBondContact O-N 3.02Å; D262-Y266 PolarHBondContact O-N 3.11Å |
| 263 | C | 50.6 | Low | 58.3 | Low | 85 Ų | 85 | 106.9 Ų | 106.9 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -36.5 | 172.8 | -90.7 | 0 | 0 | 0 | 0 | 113 | V259 S261 K267 | V259-C263 WeakPolarHBondContact O-CB 3.17Å; V259-C263 PolarHBondContact O-N 2.83Å; S261-C263 PolarHBondContact O-N 3.49Å; C263-K267 WeakPolarHBondContact O-CB 3.39Å; C263-K267 PolarHBondContact O-N 3.38Å; C263-K267 VanDerWaalsContact O-N 3.09Å |
| 264 | A | 52.4 | Low | 56.9 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 50% | 0.504 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.5 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G260 S261 D262 S268 | G260-A264 WeakPolarHBondContact O-CB 3.48Å; G260-A264 PolarHBondContact O-N 2.93Å; G260-A264 VanDerWaalsContact O-N 3.08Å; S261-A264 WeakPolarHBondContact O-CB 3.41Å; S261-A264 PolarHBondContact O-N 3.09Å; S261-A264 VanDerWaalsContact O-N 3.15Å; D262-A264 VanDerWaalsContact C-N 3.34Å; D262-A264 PolarHBondContact O-N 3.09Å; A264-S268 PolarHBondContact O-N 2.96Å; A264-S268 VanDerWaalsContact O-N 3.13Å |
| 265 | I | 50 | Low | 55.4 | Low | 82 Ų | 82 | 109.5 Ų | 109.5 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.4 | -47.7 | 175.1 | -69.4 | 167 | 0 | 0 | 0 | 110.5 | S261 D262 K267 S268 Q269 | S261-I265 WeakPolarHBondContact O-CG1 3.33Å; S261-I265 PolarHBondContact O-N 2.66Å; D262-I265 PolarHBondContact O-N 3.02Å; I265-K267 VanDerWaalsContact C-N 3.35Å; I265-K267 PolarHBondContact O-N 3.42Å; I265-S268 WeakPolarHBondContact O-CB 3.49Å; I265-S268 PolarHBondContact O-N 3.31Å; I265-S268 PolarHBondContact O-OG 3.28Å; I265-Q269 PolarHBondContact O-N 3.13Å |
| 266 | Y | 44.9 | Very low | 54 | Low | 157 Ų | 157 | 110.9 Ų | 110.9 | 62% | 0.616 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.6 | -46.3 | 178.5 | -146.7 | -83.8 | 0 | 0 | 0 | 111.4 | D262 S268 Q269 D270 | D262-Y266 PolarHBondContact O-N 3.11Å; Y266-S268 PolarHBondContact O-N 3.47Å; Y266-S268 VanDerWaalsContact O-N 3.11Å; Y266-Q269 PolarHBondContact O-N 3.43Å; Y266-D270 PolarHBondContact O-N 3.43Å |
| 267 | K | 43.4 | Very low | 52.6 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 66% | 0.661 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.7 | -15 | 176.4 | -163.6 | 172.6 | -176.2 | 177.5 | 0 | 114 | C263 I265 F271 | C263-K267 WeakPolarHBondContact O-CB 3.39Å; C263-K267 PolarHBondContact O-N 3.38Å; C263-K267 VanDerWaalsContact O-N 3.09Å; I265-K267 VanDerWaalsContact C-N 3.35Å; I265-K267 PolarHBondContact O-N 3.42Å; K267-F271 WeakPolarHBondContact O-CD2 3.34Å |
| 268 | S | 49.3 | Very low | 51.9 | Low | 82 Ų | 82 | 106.6 Ų | 106.6 | 57% | 0.573 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -90.7 | -10.6 | 172.8 | 76.1 | 0 | 0 | 0 | 0 | 114.2 | A264 I265 Y266 | A264-S268 PolarHBondContact O-N 2.96Å; A264-S268 VanDerWaalsContact O-N 3.13Å; I265-S268 WeakPolarHBondContact O-CB 3.49Å; I265-S268 PolarHBondContact O-N 3.31Å; I265-S268 PolarHBondContact O-OG 3.28Å; Y266-S268 PolarHBondContact O-N 3.47Å; Y266-S268 VanDerWaalsContact O-N 3.11Å |
| 269 | Q | 49.5 | Very low | 50.8 | Low | 141 Ų | 141 | 108.1 Ų | 108.1 | 66% | 0.659 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -97.1 | -16.2 | 177.4 | -69.3 | -179.3 | -11.2 | 0 | 0 | 113.1 | I265 Y266 F271 | I265-Q269 PolarHBondContact O-N 3.13Å; Y266-Q269 PolarHBondContact O-N 3.43Å; Q269-F271 VanDerWaalsContact C-N 3.32Å; Q269-F271 PolarHBondContact O-N 2.96Å |
| 270 | D | 44.1 | Very low | 49.6 | Very low | 116 Ų | 116 | 109.9 Ų | 109.9 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | trans | -89 | 22.5 | 178.7 | -69.6 | -35.8 | 0 | 0 | 0 | 114.1 | Y266 | Y266-D270 PolarHBondContact O-N 3.43Š| ||
| 271 | F | 40.8 | Very low | 48.7 | Very low | 238 Ų | 238 | 116 Ų | 116 | 100% | 1.044 | 60% | 0.603 | S | S | * | * | trans | -130.3 | 0 | 178.3 | -80.5 | -76.8 | 0 | 0 | 0 | 113.1 | K267 Q269 | K267-F271 WeakPolarHBondContact O-CD2 3.34Å; Q269-F271 VanDerWaalsContact C-N 3.32Å; Q269-F271 PolarHBondContact O-N 2.96Å |
Retrieved 271 of 271 residues in 71.9 ms
(Link to these results)