| 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 | 38.1 | Very low | 34.9 | Very low | 249 Ų | 249 | 169.7 Ų | 169.7 | 100% | 1.227 | 85% | 0.845 | S | S | * | * | 0 | 95.5 | 0 | -75.5 | -178.7 | 155.9 | 0 | 0 | 108.5 | |||||
| 2 | T | 32.3 | Very low | 35.2 | Very low | 142 Ų | 142 | 171.5 Ų | 171.5 | 87% | 0.871 | 84% | 0.844 | S | S | * | * | trans | -108.3 | 109.7 | -175 | 29.4 | 0 | 0 | 0 | 0 | 109 | R4 | T2-R4 PolarHBondContact O-N 3.04Š| ||
| 3 | A | 34.4 | Very low | 35.6 | Very low | 100 Ų | 100 | 168.7 Ų | 168.7 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -71.2 | 112.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | K5 | A3-K5 PolarHBondContact O-N 2.63Š| ||
| 4 | R | 34.1 | Very low | 36.3 | Very low | 233 Ų | 233 | 165.7 Ų | 165.7 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -62.9 | 119.5 | 168.9 | -90.1 | 178.6 | 169.8 | 171.6 | -2.9 | 108.4 | T2 D6 | T2-R4 PolarHBondContact O-N 3.04Å; R4-D6 PolarHBondContact O-N 3.37Å | ||
| 5 | K | 37.2 | Very low | 37.4 | Very low | 202 Ų | 202 | 159.9 Ų | 159.9 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -73.3 | 109 | 166.1 | -74.3 | -179.5 | 176.3 | 179 | 0 | 107.9 | A3 K7 | A3-K5 PolarHBondContact O-N 2.63Å; K5-K7 PolarHBondContact O-N 2.53Å; K5-K7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | D | 34.9 | Very low | 38.2 | Very low | 152 Ų | 152 | 162.2 Ų | 162.2 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -65.7 | 110.5 | 169.5 | -76 | -32 | 0 | 0 | 0 | 109.2 | R4 V8 | R4-D6 PolarHBondContact O-N 3.37Å; D6-V8 PolarHBondContact O-N 3.24Å | ||
| 7 | K | 32.6 | Very low | 39.4 | Very low | 186 Ų | 186 | 162.1 Ų | 162.1 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 107.9 | 176.9 | -154.7 | 177.2 | -173.4 | -177.8 | 0 | 106.7 | K5 I9 | K5-K7 PolarHBondContact O-N 2.53Å; K5-K7 VanDerWaalsContact O-N 3.12Å; K7-I9 PolarHBondContact O-N 3.32Å | ||
| 8 | V | 38 | Very low | 41.2 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -67.3 | 101.5 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 108 | D6 F10 | D6-V8 PolarHBondContact O-N 3.24Å; V8-F10 HydrophobicContact CG1-CE2 4.47Å | ||
| 9 | I | 30.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 68% | 0.677 | 74% | 0.737 | S | S | * | * | trans | -85.7 | 111.4 | 172.3 | -61.4 | 171.4 | 0 | 0 | 0 | 106.7 | K7 Q11 | K7-I9 PolarHBondContact O-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.28Å | ||
| 10 | F | 35.2 | Very low | 45.2 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -66.1 | 98.9 | 166.7 | -78 | -86.2 | 0 | 0 | 0 | 108.6 | V8 K12 | V8-F10 HydrophobicContact CG1-CE2 4.47Å; F10-K12 PolarHBondContact O-N 2.93Å | ||
| 11 | Q | 36.6 | Very low | 47.1 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | trans | -67.5 | 102.4 | 169 | -85.6 | -175.7 | -11.1 | 0 | 0 | 109 | I9 Q13 | I9-Q11 PolarHBondContact O-N 3.28Å; Q11-Q13 PolarHBondContact O-N 2.78Å | ||
| 12 | K | 38 | Very low | 49.1 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 83% | 0.83 | 64% | 0.644 | S | S | * | * | trans | -69 | 96.5 | 165.6 | -158.4 | 177.1 | -172.8 | 179.5 | 0 | 107.4 | F10 T14 | F10-K12 PolarHBondContact O-N 2.93Å; K12-T14 PolarHBondContact O-N 3.4Å | ||
| 13 | Q | 40.6 | Very low | 51.3 | Low | 135 Ų | 135 | 125.8 Ų | 125.8 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | trans | -69.4 | 94.7 | 173.4 | -76.8 | -168.8 | 0.6 | 0 | 0 | 109.5 | Q11 K15 | Q11-Q13 PolarHBondContact O-N 2.78Å; Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 2.61Å; Q13-K15 VanDerWaalsContact O-N 3.1Å; Q13-K15 VanDerWaalsContact OE1-CE 3.3Å | ||
| 14 | T | 45.8 | Very low | 53.1 | Low | 127 Ų | 127 | 122.2 Ų | 122.2 | 78% | 0.779 | 57% | 0.572 | S | S | * | * | trans | -78.1 | 85.6 | 165.5 | 45.4 | 0 | 0 | 0 | 0 | 108.8 | K12 | K12-T14 PolarHBondContact O-N 3.4Š| ||
| 15 | K | 52.3 | Low | 54.8 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 34% | 0.343 | 57% | 0.568 | S | S | . | * | trans | -73.1 | 136.4 | 165.3 | -70.3 | 178.6 | -176.3 | 161.7 | 0 | 108.7 | Q13 Y17 | Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 2.61Å; Q13-K15 VanDerWaalsContact O-N 3.1Å; Q13-K15 VanDerWaalsContact OE1-CE 3.3Å; K15-Y17 PolarHBondContact O-N 3.06Å; K15-Y17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | Q | 50.6 | Low | 56.7 | Low | 196 Ų | 196 | 110.8 Ų | 110.8 | 92% | 0.916 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -65.1 | -12 | -178.4 | -164.3 | 175.1 | 6.7 | 0 | 0 | 113.5 | ||
| 17 | Y | 57.8 | Low | 58.8 | Low | 161 Ų | 161 | 110.2 Ų | 110.2 | 63% | 0.631 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -140.3 | 146.4 | 178 | 51.7 | -90.8 | 0 | 0 | 0 | 110.5 | K15 | K15-Y17 PolarHBondContact O-N 3.06Å; K15-Y17 VanDerWaalsContact O-N 3.14Å |
| 18 | H | 73.1 | Confident | 61.1 | Low | 77 Ų | 77 | 102 Ų | 102 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | trans | -116.1 | 139.2 | 179.1 | -56.6 | -59.7 | 0 | 0 | 0 | 110.4 | K31 | H18-K31 HydrophobicContact CB-CB 4.08Å; H18-K31 WeakPolarHBondContact ND1-CB 3.18Å; H18-K31 WeakPolarHBondContact NE2-CD 3.26Å | ||
| 19 | E | 80.6 | Confident | 63 | Low | 48 Ų | 48 | 96.5 Ų | 96.5 | 22% | 0.224 | 47% | 0.471 | C | S | . | . | trans | -92.3 | 134 | 177.3 | -63.3 | 175 | 136.5 | 0 | 0 | 108 | S29 S30 F38 | E19-S29 CarbonylContact O-C 3.51Å; E19-S29 WeakPolarHBondContact O-CA 3.47Å; E19-S29 PolarHBondContact O-OG 3.12Å; E19-S30 PolarHBondContact N-OG 3.33Å; E19-S30 PolarHBondContact O-N 3.34Å; E19-F38 HydrophobicContact CB-CB 4.05Å; E19-F38 HydrophobicContact CB-CD1 3.93Å; E19-F38 HydrophobicContact CB-CD2 4.14Å; E19-F38 HydrophobicContact CB-CE1 4.45Å; E19-F38 HydrophobicContact CB-CG 3.76Å; E19-F38 WeakPolarHBondContact OE2-CB 3.37Å | ||
| 20 | H | 81.3 | Confident | 65.1 | Low | 113 Ų | 113 | 91.7 Ų | 91.7 | 52% | 0.523 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -117.9 | 141.3 | 178 | -66.8 | -84.6 | 0 | 0 | 0 | 109.4 | C22 S29 | H20-C22 PolarHBondContact O-N 2.95Å; H20-S29 PolarHBondContact CE1-OG 2.76Å; H20-S29 PolarHBondContact ND1-OG 3.18Å |
| 21 | C | 84.3 | Confident | 66.6 | Low | 15 Ų | 15 | 88 Ų | 88 | 10% | 0.101 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 130.8 | 175.9 | -166.7 | 0 | 0 | 0 | 0 | 110 | V23 C26 A28 F38 K67 C69 | C21-V23 VanDerWaalsContact C-N 3.29Å; C21-C26 HydrophobicContact CB-CB 4.18Å; C21-C26 VanDerWaalsContact SG-SG 3.68Å; C21-A28 HydrophobicContact CB-CB 4.19Å; C21-A28 PolarHBondContact N-O 3.37Å; C21-F38 HydrophobicContact CB-CE1 4.39Å; C21-K67 CarbonylContact C-O 3.56Å; C21-K67 WeakPolarHBondContact CA-O 3.16Å; C21-C69 HydrophobicContact CB-CB 4.17Å; C21-C69 PolarHBondContact SG-N 3.47Å; C21-C69 VanDerWaalsContact SG-N 3.37Å; C21-C69 VanDerWaalsContact SG-SG 3.67Å |
| 22 | C | 80.3 | Confident | 67.9 | Low | 19 Ų | 19 | 88.8 Ų | 88.8 | 13% | 0.128 | 43% | 0.43 | C | S | . | . | trans | -83.6 | -2 | 176.9 | 69 | 0 | 0 | 0 | 0 | 113.2 | H20 R57 K67 | H20-C22 PolarHBondContact O-N 2.95Å; C22-R57 PolarHBondContact O-NH1 3.17Å; C22-K67 PolarHBondContact N-O 3.47Å; C22-K67 PolarHBondContact SG-O 3.45Å | ||
| 23 | V | 79.9 | Confident | 69.2 | Low | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -72.4 | 131.8 | -179.6 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | C21 Q25 C26 I55 V68 H72 F99 W101 | C21-V23 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 2.94Å; V23-C26 HydrophobicContact CB-CB 3.95Å; V23-C26 HydrophobicContact CG1-CB 4.35Å; V23-C26 VanDerWaalsContact O-CB 3.3Å; V23-C26 WeakPolarHBondContact O-CB 3.32Å; V23-C26 PolarHBondContact O-N 3.02Å; V23-C26 VanDerWaalsContact O-N 3.16Å; V23-I55 HydrophobicContact CG2-CD1 4.41Å; V23-I55 HydrophobicContact CG2-CG1 4.3Å; V23-V68 HydrophobicContact CG2-CG1 3.85Å; V23-V68 HydrophobicContact CG2-CG2 4.31Å; V23-H72 WeakPolarHBondContact CB-NE2 3.42Å; V23-F99 HydrophobicContact CG1-CD1 3.67Å; V23-F99 HydrophobicContact CG1-CE1 3.63Å; V23-F99 HydrophobicContact CG2-CE1 4.1Å; V23-W101 HydrophobicContact CG1-CH2 3.63Å; V23-W101 HydrophobicContact CG1-CZ2 4.32Å |
| 24 | P | 71.8 | Confident | 70.4 | Confident | 25 Ų | 25 | 80 Ų | 80 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 139.9 | 174.9 | -24.8 | 30 | 0 | 0 | 0 | 112.4 | C26 R57 W101 | P24-C26 PolarHBondContact O-N 3.39Å; P24-R57 HydrophobicContact CG-CG 4.04Å; P24-W101 HydrophobicContact CB-CH2 4.09Å; P24-W101 HydrophobicContact CB-CZ3 4.22Å; P24-W101 HydrophobicContact CG-CH2 4.13Å |
| 25 | Q | 68.9 | Low | 71.5 | Confident | 168 Ų | 168 | 80.4 Ų | 80.4 | 79% | 0.785 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 4.7 | 179.6 | -55.1 | 175.6 | -11.4 | 0 | 0 | 115.4 | V23 | V23-Q25 PolarHBondContact O-N 2.94Š|
| 26 | C | 78.1 | Confident | 72.7 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | trans | -91 | 115.5 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | C21 V23 P24 A28 H72 | C21-C26 HydrophobicContact CB-CB 4.18Å; C21-C26 VanDerWaalsContact SG-SG 3.68Å; V23-C26 HydrophobicContact CB-CB 3.95Å; V23-C26 HydrophobicContact CG1-CB 4.35Å; V23-C26 VanDerWaalsContact O-CB 3.3Å; V23-C26 WeakPolarHBondContact O-CB 3.32Å; V23-C26 PolarHBondContact O-N 3.02Å; V23-C26 VanDerWaalsContact O-N 3.16Å; P24-C26 PolarHBondContact O-N 3.39Å; C26-A28 VanDerWaalsContact C-N 3.31Å; C26-A28 VanDerWaalsContact SG-CB 3.54Å; C26-H72 PolarHBondContact SG-NE2 3.08Å | ||
| 27 | T | 78.9 | Confident | 74.1 | Confident | 139 Ų | 139 | 68.9 Ų | 68.9 | 85% | 0.853 | 36% | 0.361 | S | S | * | . | trans | -90.8 | 8.2 | 177.8 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | S29 | T27-S29 PolarHBondContact O-N 3.12Š| ||
| 28 | A | 79.9 | Confident | 75.2 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 12% | 0.116 | 34% | 0.335 | C | S | . | . | trans | -64.5 | 127.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C21 C26 L36 C69 L71 | C21-A28 HydrophobicContact CB-CB 4.19Å; C21-A28 PolarHBondContact N-O 3.37Å; C26-A28 VanDerWaalsContact C-N 3.31Å; C26-A28 VanDerWaalsContact SG-CB 3.54Å; A28-L36 HydrophobicContact CB-CD1 3.88Å; A28-C69 HydrophobicContact CB-CB 4.2Å; A28-L71 HydrophobicContact CB-CD1 4.5Å | ||
| 29 | S | 77.3 | Confident | 75.7 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -137.1 | 141.7 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | E19 H20 T27 K31 Y32 N33 | E19-S29 CarbonylContact O-C 3.51Å; E19-S29 WeakPolarHBondContact O-CA 3.47Å; E19-S29 PolarHBondContact O-OG 3.12Å; H20-S29 PolarHBondContact CE1-OG 2.76Å; H20-S29 PolarHBondContact ND1-OG 3.18Å; T27-S29 PolarHBondContact O-N 3.12Å; S29-K31 PolarHBondContact O-N 2.53Å; S29-K31 PolarHBondContact OG-N 3.31Å; S29-Y32 PolarHBondContact O-N 2.75Å; S29-N33 PolarHBondContact O-N 2.79Å; S29-N33 VanDerWaalsContact O-N 3.11Å |
| 30 | S | 74.8 | Confident | 75.8 | Confident | 31 Ų | 31 | 59 Ų | 59 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.2 | 176.5 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | E19 F38 | E19-S30 PolarHBondContact N-OG 3.33Å; E19-S30 PolarHBondContact O-N 3.34Å; S30-F38 VanDerWaalsContact CB-CE2 3.46Å; S30-F38 VanDerWaalsContact N-CZ 3.26Å |
| 31 | K | 68.1 | Low | 75.7 | Confident | 110 Ų | 110 | 55.2 Ų | 55.2 | 48% | 0.478 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -41.9 | 172.9 | -172.3 | 175.2 | -177.7 | -173.6 | 0 | 113 | H18 S29 | H18-K31 HydrophobicContact CB-CB 4.08Å; H18-K31 WeakPolarHBondContact ND1-CB 3.18Å; H18-K31 WeakPolarHBondContact NE2-CD 3.26Å; S29-K31 PolarHBondContact O-N 2.53Å; S29-K31 PolarHBondContact OG-N 3.31Å |
| 32 | Y | 64.3 | Low | 75.5 | Confident | 180 Ų | 180 | 55.8 Ų | 55.8 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -12 | -172.1 | -58.6 | -73.8 | 0 | 0 | 0 | 112.5 | S29 | S29-Y32 PolarHBondContact O-N 2.75Š|
| 33 | N | 64.6 | Low | 75.2 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | trans | -141.3 | 98 | 179 | -164.3 | -21.7 | 0 | 0 | 0 | 112 | S29 L35 L36 | S29-N33 PolarHBondContact O-N 2.79Å; S29-N33 VanDerWaalsContact O-N 3.11Å; N33-L35 VanDerWaalsContact C-N 3.28Å; N33-L35 PolarHBondContact O-N 3.08Å; N33-L35 PolarHBondContact OD1-N 3.14Å; N33-L35 VanDerWaalsContact OD1-N 3.16Å; N33-L36 HydrophobicContact CB-CD1 4.02Å; N33-L36 HydrophobicContact CB-CG 4.25Å; N33-L36 WeakPolarHBondContact ND2-CD1 3.32Å | ||
| 34 | G | 65.3 | Low | 75.1 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 81% | 0.814 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 35 | L | 69.9 | Low | 75.2 | Confident | 136 Ų | 136 | 69 Ų | 69 | 71% | 0.712 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.3 | -179.8 | -63.7 | 173.9 | 0 | 0 | 0 | 113.1 | N33 | N33-L35 VanDerWaalsContact C-N 3.28Å; N33-L35 PolarHBondContact O-N 3.08Å; N33-L35 PolarHBondContact OD1-N 3.14Å; N33-L35 VanDerWaalsContact OD1-N 3.16Å |
| 36 | L | 76.7 | Confident | 75.5 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | trans | -88 | 135.6 | 177.7 | -64.9 | 179.3 | 0 | 0 | 0 | 111 | A28 N33 F38 L71 | A28-L36 HydrophobicContact CB-CD1 3.88Å; N33-L36 HydrophobicContact CB-CD1 4.02Å; N33-L36 HydrophobicContact CB-CG 4.25Å; N33-L36 WeakPolarHBondContact ND2-CD1 3.32Å; L36-F38 HydrophobicContact CB-CE2 4.01Å; L36-F38 HydrophobicContact CB-CZ 4.46Å; L36-L71 HydrophobicContact CD1-CD1 4.02Å; L36-L71 HydrophobicContact CD1-CG 4.35Å; L36-L71 HydrophobicContact CD2-CD1 4.24Å; L36-L71 HydrophobicContact CD2-CD2 3.98Å; L36-L71 HydrophobicContact CD2-CG 3.72Å | ||
| 37 | S | 79.8 | Confident | 75.4 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | trans | -94.8 | 142.5 | 168.1 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | H39 C69 S70 R88 | S37-H39 WeakPolarHBondContact CB-NE2 3.12Å; S37-H39 PolarHBondContact OG-CE1 3.02Å; S37-H39 PolarHBondContact OG-NE2 3.22Å; S37-C69 CarbonylContact O-C 3.53Å; S37-C69 WeakPolarHBondContact O-CA 3.16Å; S37-S70 PolarHBondContact N-OG 3.22Å; S37-S70 PolarHBondContact O-N 3.31Å; S37-S70 WeakPolarHBondContact OG-CB 3.34Å; S37-R88 VanDerWaalsContact CB-O 3.32Å; S37-R88 WeakPolarHBondContact CB-O 3.45Å; S37-R88 PolarHBondContact OG-O 3.12Å | ||
| 38 | F | 82.3 | Confident | 75.4 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 9% | 0.088 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.8 | 179.7 | -69.2 | -98.3 | 0 | 0 | 0 | 109.1 | E19 C21 S30 L36 K67 C69 | E19-F38 HydrophobicContact CB-CB 4.05Å; E19-F38 HydrophobicContact CB-CD1 3.93Å; E19-F38 HydrophobicContact CB-CD2 4.14Å; E19-F38 HydrophobicContact CB-CE1 4.45Å; E19-F38 HydrophobicContact CB-CG 3.76Å; E19-F38 WeakPolarHBondContact OE2-CB 3.37Å; C21-F38 HydrophobicContact CB-CE1 4.39Å; S30-F38 VanDerWaalsContact CB-CE2 3.46Å; S30-F38 VanDerWaalsContact N-CZ 3.26Å; L36-F38 HydrophobicContact CB-CE2 4.01Å; L36-F38 HydrophobicContact CB-CZ 4.46Å; F38-K67 HydrophobicContact CB-CB 3.97Å; F38-K67 HydrophobicContact CB-CG 4.32Å; F38-K67 HydrophobicContact CD1-CB 4.29Å; F38-C69 HydrophobicContact CD1-CB 4.06Å; F38-C69 HydrophobicContact CE1-CB 3.83Å; F38-C69 HydrophobicContact CZ-CB 4.24Å |
| 39 | H | 83.4 | Confident | 75.2 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 12% | 0.12 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.6 | -170.5 | -58.7 | -70.8 | 0 | 0 | 0 | 110.6 | S37 W51 K67 V68 R88 V90 | S37-H39 WeakPolarHBondContact CB-NE2 3.12Å; S37-H39 PolarHBondContact OG-CE1 3.02Å; S37-H39 PolarHBondContact OG-NE2 3.22Å; H39-W51 HydrophobicContact CB-CH2 4.24Å; H39-K67 CarbonylContact O-C 3.54Å; H39-K67 VanDerWaalsContact O-CA 3.28Å; H39-K67 WeakPolarHBondContact O-CA 3.3Å; H39-V68 PolarHBondContact N-O 2.96Å; H39-V68 PolarHBondContact O-N 2.91Å; H39-R88 PolarHBondContact CE1-O 3.17Å; H39-R88 VanDerWaalsContact CE1-O 3.26Å; H39-V90 HydrophobicContact CB-CG2 4.28Å; H39-V90 VanDerWaalsContact CD2-CG2 3.41Å; H39-V90 WeakPolarHBondContact CD2-CG2 3.4Å |
| 40 | G | 81.3 | Confident | 75.2 | Confident | 31 Ų | 31 | 77.4 Ų | 77.4 | 32% | 0.32 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 161.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 41 | F | 80.6 | Confident | 75.4 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -63 | 139.3 | 175.8 | -77.1 | -99.3 | 0 | 0 | 0 | 110.9 | R48 W51 L52 I55 L62 V68 | F41-R48 HydrophobicContact CB-CG 4.43Å; F41-R48 HydrophobicContact CD1-CG 4.23Å; F41-W51 HydrophobicContact CD1-CB 4.1Å; F41-W51 HydrophobicContact CD1-CE3 4.11Å; F41-W51 HydrophobicContact CE1-CB 3.92Å; F41-W51 HydrophobicContact CE1-CE3 4.26Å; F41-W51 HydrophobicContact CG-CE3 4.5Å; F41-L52 HydrophobicContact CE1-CD2 4.15Å; F41-L52 HydrophobicContact CE1-CG 4.33Å; F41-I55 HydrophobicContact CE1-CD1 4.19Å; F41-I55 HydrophobicContact CZ-CD1 3.9Å; F41-L62 HydrophobicContact CD1-CD1 4.24Å; F41-L62 HydrophobicContact CD1-CD2 4.26Å; F41-L62 HydrophobicContact CD2-CD2 3.85Å; F41-L62 HydrophobicContact CE1-CD1 4.39Å; F41-L62 HydrophobicContact CE1-CD2 3.88Å; F41-L62 HydrophobicContact CE2-CD2 3.47Å; F41-L62 VanDerWaalsContact CE2-CD2 3.47Å; F41-L62 HydrophobicContact CG-CD1 4.45Å; F41-L62 HydrophobicContact CG-CD2 4.24Å; F41-L62 HydrophobicContact CZ-CD2 3.48Å; F41-L62 VanDerWaalsContact CZ-CD2 3.48Å; F41-V68 HydrophobicContact CE2-CG2 4.37Å; F41-V68 HydrophobicContact CZ-CG2 4.3Å |
| 42 | P | 80.1 | Confident | 75.8 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 148.1 | 177.1 | -24.6 | 34.8 | 0 | 0 | 0 | 113 | H44 L47 W51 | P42-H44 VanDerWaalsContact C-N 3.28Å; P42-H44 PolarHBondContact O-N 3.23Å; P42-L47 HydrophobicContact CB-CB 4.27Å; P42-L47 HydrophobicContact CB-CD2 3.77Å; P42-L47 HydrophobicContact CB-CG 4.16Å; P42-L47 HydrophobicContact CG-CB 4.44Å; P42-L47 HydrophobicContact CG-CD2 3.64Å; P42-L47 HydrophobicContact CG-CG 3.87Å; P42-W51 HydrophobicContact CG-CD2 4.24Å; P42-W51 HydrophobicContact CG-CH2 4.43Å; P42-W51 HydrophobicContact CG-CZ2 3.95Å |
| 43 | S | 73.4 | Confident | 76.3 | Confident | 125 Ų | 125 | 69.2 Ų | 69.2 | 87% | 0.874 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -70.5 | -23.8 | 174.2 | -49.2 | 0 | 0 | 0 | 0 | 113 | ||
| 44 | H | 76.8 | Confident | 76.6 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -72.2 | 123.4 | -179.7 | -165.3 | -80.8 | 0 | 0 | 0 | 110.8 | P42 E46 L47 R48 | P42-H44 VanDerWaalsContact C-N 3.28Å; P42-H44 PolarHBondContact O-N 3.23Å; H44-E46 IonicContact CE1-OE2 3.63Å; H44-E46 PolarHBondContact ND1-N 3.26Å; H44-E46 PolarHBondContact O-N 2.65Å; H44-L47 HydrophobicContact CB-CB 4.26Å; H44-L47 PolarHBondContact O-N 2.8Å; H44-R48 WeakPolarHBondContact O-CB 3.4Å; H44-R48 PolarHBondContact O-N 3.13Å |
| 45 | P | 74.9 | Confident | 77 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | -169.7 | 20.6 | -31.3 | 0 | 0 | 0 | 113 | R48 R49 | P45-R48 PolarHBondContact O-N 2.77Å; P45-R49 PolarHBondContact O-N 3.4Å |
| 46 | E | 74.8 | Confident | 76.8 | Confident | 124 Ų | 124 | 63.7 Ų | 63.7 | 58% | 0.579 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.4 | -36.1 | -179.8 | -59.8 | -178.9 | 165.8 | 0 | 0 | 114 | H44 R49 R50 | H44-E46 IonicContact CE1-OE2 3.63Å; H44-E46 PolarHBondContact ND1-N 3.26Å; H44-E46 PolarHBondContact O-N 2.65Å; E46-R49 PolarHBondContact O-N 2.93Å; E46-R50 PolarHBondContact O-N 2.81Å |
| 47 | L | 77.1 | Confident | 76 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.2 | -36.9 | 179.3 | -170.9 | 65.6 | 0 | 0 | 0 | 110 | P42 H44 R49 R50 W51 V95 | P42-L47 HydrophobicContact CB-CB 4.27Å; P42-L47 HydrophobicContact CB-CD2 3.77Å; P42-L47 HydrophobicContact CB-CG 4.16Å; P42-L47 HydrophobicContact CG-CB 4.44Å; P42-L47 HydrophobicContact CG-CD2 3.64Å; P42-L47 HydrophobicContact CG-CG 3.87Å; H44-L47 HydrophobicContact CB-CB 4.26Å; H44-L47 PolarHBondContact O-N 2.8Å; L47-R49 VanDerWaalsContact C-N 3.35Å; L47-R50 PolarHBondContact O-N 2.83Å; L47-W51 PolarHBondContact O-N 3.12Å; L47-V95 HydrophobicContact CD1-CG2 3.65Å |
| 48 | R | 78.2 | Confident | 74.6 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 40% | 0.404 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 170.8 | -176.4 | 175.3 | 176.7 | 176.5 | -1.8 | 111.8 | F41 H44 P45 W51 L52 | F41-R48 HydrophobicContact CB-CG 4.43Å; F41-R48 HydrophobicContact CD1-CG 4.23Å; H44-R48 WeakPolarHBondContact O-CB 3.4Å; H44-R48 PolarHBondContact O-N 3.13Å; P45-R48 PolarHBondContact O-N 2.77Å; R48-W51 PolarHBondContact O-N 3.2Å; R48-L52 WeakPolarHBondContact O-CG 3.46Å; R48-L52 PolarHBondContact O-N 3.26Å; R48-L52 VanDerWaalsContact O-N 3.08Å |
| 49 | R | 74.9 | Confident | 73.3 | Confident | 167 Ų | 167 | 84.1 Ų | 84.1 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 174.2 | -166.3 | -178.7 | 73.5 | 86.2 | -3.3 | 111.5 | P45 E46 L47 W51 L52 V53 | P45-R49 PolarHBondContact O-N 3.4Å; E46-R49 PolarHBondContact O-N 2.93Å; L47-R49 VanDerWaalsContact C-N 3.35Å; R49-W51 PolarHBondContact O-N 3.09Å; R49-L52 PolarHBondContact O-N 3.28Å; R49-V53 WeakPolarHBondContact O-CG2 3.22Å; R49-V53 PolarHBondContact O-N 2.84Å |
| 50 | R | 77.2 | Confident | 72.3 | Confident | 116 Ų | 116 | 85.1 Ų | 85.1 | 44% | 0.438 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 176 | -77.7 | -175.7 | -81.8 | 167.1 | -10.6 | 112.8 | E46 L47 L52 V53 T54 V95 | E46-R50 PolarHBondContact O-N 2.81Å; L47-R50 PolarHBondContact O-N 2.83Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 2.88Å; R50-V53 PolarHBondContact O-N 2.9Å; R50-T54 WeakPolarHBondContact O-CG2 3.3Å; R50-T54 PolarHBondContact O-N 2.68Å; R50-T54 PolarHBondContact O-OG1 3.35Å; R50-V95 HydrophobicContact CB-CG1 4.38Å; R50-V95 HydrophobicContact CB-CG2 4.28Å |
| 51 | W | 80.3 | Confident | 71.3 | Confident | 5 Ų | 5 | 92.8 Ų | 92.8 | 2% | 0.019 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 175.9 | -76.5 | 38.3 | 0 | 0 | 0 | 112.6 | H39 F41 P42 L47 R48 R49 T54 I55 V68 F73 V90 A94 P96 | H39-W51 HydrophobicContact CB-CH2 4.24Å; F41-W51 HydrophobicContact CD1-CB 4.1Å; F41-W51 HydrophobicContact CD1-CE3 4.11Å; F41-W51 HydrophobicContact CE1-CB 3.92Å; F41-W51 HydrophobicContact CE1-CE3 4.26Å; F41-W51 HydrophobicContact CG-CE3 4.5Å; P42-W51 HydrophobicContact CG-CD2 4.24Å; P42-W51 HydrophobicContact CG-CH2 4.43Å; P42-W51 HydrophobicContact CG-CZ2 3.95Å; L47-W51 PolarHBondContact O-N 3.12Å; R48-W51 PolarHBondContact O-N 3.2Å; R49-W51 PolarHBondContact O-N 3.09Å; W51-T54 PolarHBondContact O-OG1 3.08Å; W51-I55 WeakPolarHBondContact O-CB 3.49Å; W51-I55 VanDerWaalsContact O-CD1 3.25Å; W51-I55 WeakPolarHBondContact O-CD1 3.46Å; W51-I55 WeakPolarHBondContact O-CG1 3.39Å; W51-I55 PolarHBondContact O-N 3.41Å; W51-V68 HydrophobicContact CE3-CG2 4.12Å; W51-V68 HydrophobicContact CZ3-CB 4.18Å; W51-V68 HydrophobicContact CZ3-CG2 4.1Å; W51-F73 HydrophobicContact CH2-CE1 4Å; W51-F73 HydrophobicContact CH2-CE2 4.44Å; W51-F73 AromaticContact CH2-CZ 3.41Å; W51-F73 HydrophobicContact CH2-CZ 3.41Å; W51-F73 VanDerWaalsContact CH2-CZ 3.41Å; W51-F73 AromaticContact CZ2-CE1 3.66Å; W51-F73 HydrophobicContact CZ2-CE1 3.66Å; W51-F73 AromaticContact CZ2-CZ 3.57Å; W51-F73 HydrophobicContact CZ2-CZ 3.57Å; W51-F73 AromaticContact CZ3-CZ 3.99Å; W51-F73 HydrophobicContact CZ3-CZ 3.99Å; W51-V90 HydrophobicContact CZ2-CG1 4.43Å; W51-A94 PolarHBondContact NE1-O 2.77Å; W51-P96 HydrophobicContact CD2-CG 4.18Å; W51-P96 HydrophobicContact CG-CG 4.26Å |
| 52 | L | 76.6 | Confident | 70.6 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 29% | 0.288 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.8 | -77.8 | 172.7 | 0 | 0 | 0 | 112.3 | F41 R48 R49 R50 I55 R56 L60 L62 | F41-L52 HydrophobicContact CE1-CD2 4.15Å; F41-L52 HydrophobicContact CE1-CG 4.33Å; R48-L52 WeakPolarHBondContact O-CG 3.46Å; R48-L52 PolarHBondContact O-N 3.26Å; R48-L52 VanDerWaalsContact O-N 3.08Å; R49-L52 PolarHBondContact O-N 3.28Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 2.88Å; L52-I55 PolarHBondContact O-N 3.09Å; L52-R56 PolarHBondContact O-N 3.17Å; L52-L60 HydrophobicContact CD2-CD2 4.48Å; L52-L62 HydrophobicContact CD1-CD1 3.84Å; L52-L62 HydrophobicContact CD2-CD1 3.74Å; L52-L62 HydrophobicContact CD2-CD2 4.02Å; L52-L62 HydrophobicContact CD2-CG 3.95Å; L52-L62 HydrophobicContact CG-CD1 4.07Å |
| 53 | V | 73.4 | Confident | 69.9 | Low | 90 Ų | 90 | 95.9 Ų | 95.9 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | R49 R50 I55 R56 | R49-V53 WeakPolarHBondContact O-CG2 3.22Å; R49-V53 PolarHBondContact O-N 2.84Å; R50-V53 PolarHBondContact O-N 2.9Å; V53-I55 PolarHBondContact O-N 3.28Å; V53-R56 PolarHBondContact O-N 2.99Å |
| 54 | T | 70.8 | Confident | 69.3 | Low | 39 Ų | 39 | 97.8 Ų | 97.8 | 24% | 0.239 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.3 | -30.9 | -178.2 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | R50 W51 R56 V95 P96 W101 | R50-T54 WeakPolarHBondContact O-CG2 3.3Å; R50-T54 PolarHBondContact O-N 2.68Å; R50-T54 PolarHBondContact O-OG1 3.35Å; W51-T54 PolarHBondContact O-OG1 3.08Å; T54-R56 PolarHBondContact O-N 3.41Å; T54-V95 HydrophobicContact CG2-CG1 3.87Å; T54-P96 PolarHBondContact OG1-O 3.1Å; T54-W101 PolarHBondContact O-NE1 3.29Å |
| 55 | I | 73.9 | Confident | 68.8 | Low | 2 Ų | 2 | 100.5 Ų | 100.5 | 1% | 0.01 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -75 | -11.8 | 177.7 | -66.1 | 168.8 | 0 | 0 | 0 | 112.2 | V23 F41 W51 L52 V53 V68 F99 | V23-I55 HydrophobicContact CG2-CD1 4.41Å; V23-I55 HydrophobicContact CG2-CG1 4.3Å; F41-I55 HydrophobicContact CE1-CD1 4.19Å; F41-I55 HydrophobicContact CZ-CD1 3.9Å; W51-I55 WeakPolarHBondContact O-CB 3.49Å; W51-I55 VanDerWaalsContact O-CD1 3.25Å; W51-I55 WeakPolarHBondContact O-CD1 3.46Å; W51-I55 WeakPolarHBondContact O-CG1 3.39Å; W51-I55 PolarHBondContact O-N 3.41Å; L52-I55 PolarHBondContact O-N 3.09Å; V53-I55 PolarHBondContact O-N 3.28Å; I55-V68 HydrophobicContact CD1-CG2 3.79Å; I55-F99 HydrophobicContact CG1-CE1 4.11Å; I55-F99 HydrophobicContact CG1-CZ 4Å |
| 56 | R | 65.8 | Low | 69.1 | Low | 119 Ų | 119 | 96.6 Ų | 96.6 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 61.6 | 175.3 | -66 | -170.4 | 178.2 | 177.7 | 0.5 | 113.9 | L52 V53 T54 | L52-R56 PolarHBondContact O-N 3.17Å; V53-R56 PolarHBondContact O-N 2.99Å; T54-R56 PolarHBondContact O-N 3.41Å |
| 57 | R | 60 | Low | 69.6 | Low | 108 Ų | 108 | 93.1 Ų | 93.1 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | trans | -130.2 | 114.8 | 168.8 | -83.5 | -171.6 | 164.9 | 141.2 | 3 | 111.6 | C22 P24 K59 L60 | C22-R57 PolarHBondContact O-NH1 3.17Å; P24-R57 HydrophobicContact CG-CG 4.04Å; R57-K59 VanDerWaalsContact C-N 3.25Å; R57-K59 PolarHBondContact O-N 3.03Å; R57-L60 HydrophobicContact CB-CB 3.96Å | ||
| 58 | D | 51.3 | Low | 69.8 | Low | 171 Ų | 171 | 92.3 Ų | 92.3 | 91% | 0.914 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.4 | 179.7 | -64.4 | -24.3 | 0 | 0 | 0 | 113.8 | ||
| 59 | K | 54 | Low | 70.1 | Confident | 203 Ų | 203 | 87.2 Ų | 87.2 | 88% | 0.883 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | 37.6 | -175.6 | -60.4 | -174.8 | -177.1 | 178.1 | 0 | 114.6 | R57 K61 | R57-K59 VanDerWaalsContact C-N 3.25Å; R57-K59 PolarHBondContact O-N 3.03Å; K59-K61 PolarHBondContact O-N 3.22Å |
| 60 | L | 63.2 | Low | 70.5 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | trans | -82.4 | 115 | 175.6 | -168.7 | 83.9 | 0 | 0 | 0 | 111.3 | L52 R57 L62 | L52-L60 HydrophobicContact CD2-CD2 4.48Å; R57-L60 HydrophobicContact CB-CB 3.96Å; L60-L62 HydrophobicContact CD2-CD2 3.5Å; L60-L62 VanDerWaalsContact CD2-CD2 3.5Å; L60-L62 HydrophobicContact CD2-CG 4.26Å; L60-L62 HydrophobicContact CG-CD2 4.49Å; L60-L62 PolarHBondContact O-N 2.98Å; L60-L62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | K | 60.1 | Low | 70.6 | Confident | 192 Ų | 192 | 78.9 Ų | 78.9 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | trans | -74.4 | 98.8 | 165.7 | -67.9 | -173.7 | -179.6 | -177.7 | 0 | 109.2 | K59 T63 | K59-K61 PolarHBondContact O-N 3.22Å; K61-T63 PolarHBondContact O-N 3.43Å | ||
| 62 | L | 65.6 | Low | 70.7 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | trans | -65.1 | 117.4 | 175.8 | -74.7 | -180 | 0 | 0 | 0 | 110.8 | F41 L52 L60 | F41-L62 HydrophobicContact CD1-CD1 4.24Å; F41-L62 HydrophobicContact CD1-CD2 4.26Å; F41-L62 HydrophobicContact CD2-CD2 3.85Å; F41-L62 HydrophobicContact CE1-CD1 4.39Å; F41-L62 HydrophobicContact CE1-CD2 3.88Å; F41-L62 HydrophobicContact CE2-CD2 3.47Å; F41-L62 VanDerWaalsContact CE2-CD2 3.47Å; F41-L62 HydrophobicContact CG-CD1 4.45Å; F41-L62 HydrophobicContact CG-CD2 4.24Å; F41-L62 HydrophobicContact CZ-CD2 3.48Å; F41-L62 VanDerWaalsContact CZ-CD2 3.48Å; L52-L62 HydrophobicContact CD1-CD1 3.84Å; L52-L62 HydrophobicContact CD2-CD1 3.74Å; L52-L62 HydrophobicContact CD2-CD2 4.02Å; L52-L62 HydrophobicContact CD2-CG 3.95Å; L52-L62 HydrophobicContact CG-CD1 4.07Å; L60-L62 HydrophobicContact CD2-CD2 3.5Å; L60-L62 VanDerWaalsContact CD2-CD2 3.5Å; L60-L62 HydrophobicContact CD2-CG 4.26Å; L60-L62 HydrophobicContact CG-CD2 4.49Å; L60-L62 PolarHBondContact O-N 2.98Å; L60-L62 VanDerWaalsContact O-N 3.13Å | ||
| 63 | T | 65.7 | Low | 71 | Confident | 84 Ų | 84 | 76.9 Ų | 76.9 | 52% | 0.515 | 38% | 0.375 | S | S | . | . | trans | -101.4 | 161.6 | 168.5 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | K61 H65 S66 | K61-T63 PolarHBondContact O-N 3.43Å; T63-H65 PolarHBondContact O-N 3.04Å; T63-S66 PolarHBondContact N-OG 3.49Å; T63-S66 VanDerWaalsContact O-CB 3.28Å; T63-S66 WeakPolarHBondContact O-CB 3.23Å; T63-S66 PolarHBondContact O-N 3.41Å; T63-S66 PolarHBondContact O-OG 3.07Å; T63-S66 PolarHBondContact OG1-OG 3.26Å | ||
| 64 | L | 60.2 | Low | 71 | Confident | 166 Ų | 166 | 74 Ų | 74 | 87% | 0.869 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.4 | 174.5 | -77 | 152.2 | 0 | 0 | 0 | 113.5 | ||
| 65 | H | 68 | Low | 71 | Confident | 160 Ų | 160 | 77.5 Ų | 77.5 | 74% | 0.741 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -0.5 | 179.3 | -55.5 | -69.6 | 0 | 0 | 0 | 113.7 | T63 K67 | T63-H65 PolarHBondContact O-N 3.04Å; H65-K67 PolarHBondContact O-N 3.39Å |
| 66 | S | 80.2 | Confident | 70.9 | Confident | 16 Ų | 16 | 82.4 Ų | 82.4 | 11% | 0.112 | 41% | 0.407 | C | S | . | . | trans | -71.6 | 113.9 | 177.2 | -61 | 0 | 0 | 0 | 0 | 110 | T63 | T63-S66 PolarHBondContact N-OG 3.49Å; T63-S66 VanDerWaalsContact O-CB 3.28Å; T63-S66 WeakPolarHBondContact O-CB 3.23Å; T63-S66 PolarHBondContact O-N 3.41Å; T63-S66 PolarHBondContact O-OG 3.07Å; T63-S66 PolarHBondContact OG1-OG 3.26Å | ||
| 67 | K | 84.5 | Confident | 71.1 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 22% | 0.217 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.9 | -178.9 | -56.5 | -59.6 | -175.2 | -169.1 | 0 | 111.9 | C21 C22 F38 H39 H65 | C21-K67 CarbonylContact C-O 3.56Å; C21-K67 WeakPolarHBondContact CA-O 3.16Å; C22-K67 PolarHBondContact N-O 3.47Å; C22-K67 PolarHBondContact SG-O 3.45Å; F38-K67 HydrophobicContact CB-CB 3.97Å; F38-K67 HydrophobicContact CB-CG 4.32Å; F38-K67 HydrophobicContact CD1-CB 4.29Å; H39-K67 CarbonylContact O-C 3.54Å; H39-K67 VanDerWaalsContact O-CA 3.28Å; H39-K67 WeakPolarHBondContact O-CA 3.3Å; H65-K67 PolarHBondContact O-N 3.39Å |
| 68 | V | 83.2 | Confident | 71.8 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.6 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | V23 H39 F41 W51 I55 H72 F73 P96 | V23-V68 HydrophobicContact CG2-CG1 3.85Å; V23-V68 HydrophobicContact CG2-CG2 4.31Å; H39-V68 PolarHBondContact N-O 2.96Å; H39-V68 PolarHBondContact O-N 2.91Å; F41-V68 HydrophobicContact CE2-CG2 4.37Å; F41-V68 HydrophobicContact CZ-CG2 4.3Å; W51-V68 HydrophobicContact CE3-CG2 4.12Å; W51-V68 HydrophobicContact CZ3-CB 4.18Å; W51-V68 HydrophobicContact CZ3-CG2 4.1Å; I55-V68 HydrophobicContact CD1-CG2 3.79Å; V68-H72 HydrophobicContact CG1-CB 4.02Å; V68-F73 HydrophobicContact CB-CE2 4.41Å; V68-F73 HydrophobicContact CG1-CE2 3.83Å; V68-F73 HydrophobicContact CG1-CZ 4.29Å; V68-P96 HydrophobicContact CG1-CB 4.43Å |
| 69 | C | 83.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 156.9 | 180 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | C21 A28 S37 F38 L71 H72 | C21-C69 HydrophobicContact CB-CB 4.17Å; C21-C69 PolarHBondContact SG-N 3.47Å; C21-C69 VanDerWaalsContact SG-N 3.37Å; C21-C69 VanDerWaalsContact SG-SG 3.67Å; A28-C69 HydrophobicContact CB-CB 4.2Å; S37-C69 CarbonylContact O-C 3.53Å; S37-C69 WeakPolarHBondContact O-CA 3.16Å; F38-C69 HydrophobicContact CD1-CB 4.06Å; F38-C69 HydrophobicContact CE1-CB 3.83Å; F38-C69 HydrophobicContact CZ-CB 4.24Å; C69-L71 PolarHBondContact O-N 3.44Å; C69-H72 PolarHBondContact O-N 2.8Å; C69-H72 VanDerWaalsContact SG-CD2 3.55Å |
| 70 | S | 82 | Confident | 73.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -59.7 | -14.5 | -179 | 46.3 | 0 | 0 | 0 | 0 | 115.8 | S37 H72 F73 | S37-S70 PolarHBondContact N-OG 3.22Å; S37-S70 PolarHBondContact O-N 3.31Å; S37-S70 WeakPolarHBondContact OG-CB 3.34Å; S70-H72 PolarHBondContact O-N 3.3Å; S70-F73 PolarHBondContact O-N 3.17Å |
| 71 | L | 81.1 | Confident | 73.5 | Confident | 100 Ų | 100 | 69.3 Ų | 69.3 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -65.1 | -23.1 | 177.2 | -68.9 | 170.8 | 0 | 0 | 0 | 113 | A28 L36 C69 F73 | A28-L71 HydrophobicContact CB-CD1 4.5Å; L36-L71 HydrophobicContact CD1-CD1 4.02Å; L36-L71 HydrophobicContact CD1-CG 4.35Å; L36-L71 HydrophobicContact CD2-CD1 4.24Å; L36-L71 HydrophobicContact CD2-CD2 3.98Å; L36-L71 HydrophobicContact CD2-CG 3.72Å; C69-L71 PolarHBondContact O-N 3.44Å; L71-F73 VanDerWaalsContact C-N 3.29Å |
| 72 | H | 82.2 | Confident | 73.2 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 6% | 0.06 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -87 | -0.8 | -178.1 | -61.8 | -63.9 | 0 | 0 | 0 | 113.5 | V23 C26 V68 C69 S70 P96 V97 L98 F99 | V23-H72 WeakPolarHBondContact CB-NE2 3.42Å; C26-H72 PolarHBondContact SG-NE2 3.08Å; V68-H72 HydrophobicContact CG1-CB 4.02Å; C69-H72 PolarHBondContact O-N 2.8Å; C69-H72 VanDerWaalsContact SG-CD2 3.55Å; S70-H72 PolarHBondContact O-N 3.3Å; H72-P96 HydrophobicContact CB-CB 3.79Å; H72-P96 CarbonylContact O-C 3.6Å; H72-P96 WeakPolarHBondContact O-CA 3.32Å; H72-P96 WeakPolarHBondContact O-CB 3.33Å; H72-V97 PolarHBondContact O-N 3.14Å; H72-L98 PolarHBondContact ND1-O 2.64Å; H72-L98 PolarHBondContact O-N 2.81Å; H72-L98 VanDerWaalsContact O-N 3.12Å; H72-F99 HydrophobicContact CB-CE1 4.37Å; H72-F99 AromaticContact ND1-CD1 3.75Å; H72-F99 AromaticContact ND1-CE1 3.91Å |
| 73 | F | 82.1 | Confident | 72.7 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 2% | 0.022 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -112 | 141.6 | 178.5 | -61.2 | -89.5 | 0 | 0 | 0 | 109.4 | W51 V68 S70 L71 Q77 L78 V90 P96 | W51-F73 HydrophobicContact CH2-CE1 4Å; W51-F73 HydrophobicContact CH2-CE2 4.44Å; W51-F73 AromaticContact CH2-CZ 3.41Å; W51-F73 HydrophobicContact CH2-CZ 3.41Å; W51-F73 VanDerWaalsContact CH2-CZ 3.41Å; W51-F73 AromaticContact CZ2-CE1 3.66Å; W51-F73 HydrophobicContact CZ2-CE1 3.66Å; W51-F73 AromaticContact CZ2-CZ 3.57Å; W51-F73 HydrophobicContact CZ2-CZ 3.57Å; W51-F73 AromaticContact CZ3-CZ 3.99Å; W51-F73 HydrophobicContact CZ3-CZ 3.99Å; V68-F73 HydrophobicContact CB-CE2 4.41Å; V68-F73 HydrophobicContact CG1-CE2 3.83Å; V68-F73 HydrophobicContact CG1-CZ 4.29Å; S70-F73 PolarHBondContact O-N 3.17Å; L71-F73 VanDerWaalsContact C-N 3.29Å; F73-Q77 HydrophobicContact CB-CB 4.4Å; F73-L78 HydrophobicContact CB-CD1 4.44Å; F73-L78 HydrophobicContact CB-CD2 3.94Å; F73-L78 HydrophobicContact CB-CG 4.09Å; F73-L78 HydrophobicContact CG-CD2 4.35Å; F73-V90 HydrophobicContact CD1-CG1 4Å; F73-V90 HydrophobicContact CD1-CG2 4.04Å; F73-V90 HydrophobicContact CD2-CG2 4.02Å; F73-V90 HydrophobicContact CE1-CG1 3.78Å; F73-V90 HydrophobicContact CE1-CG2 3.99Å; F73-V90 HydrophobicContact CE2-CG2 3.97Å; F73-V90 HydrophobicContact CG-CG2 4.05Å; F73-V90 HydrophobicContact CZ-CG1 4.39Å; F73-V90 HydrophobicContact CZ-CG2 3.97Å; F73-P96 HydrophobicContact CD1-CB 4.35Å; F73-P96 HydrophobicContact CE1-CB 3.93Å; F73-P96 HydrophobicContact CE1-CG 4.28Å; F73-P96 HydrophobicContact CE2-CB 4.25Å; F73-P96 HydrophobicContact CZ-CB 3.86Å; F73-P96 HydrophobicContact CZ-CG 4.14Å |
| 74 | T | 74.4 | Confident | 71.7 | Confident | 30 Ų | 30 | 74 Ų | 74 | 18% | 0.184 | 41% | 0.406 | C | S | . | . | trans | -69.7 | 150.7 | 173.4 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | D76 Q77 V97 L98 | T74-D76 WeakPolarHBondContact CB-OD1 3.17Å; T74-D76 PolarHBondContact O-N 2.8Å; T74-D76 VanDerWaalsContact O-N 3.12Å; T74-D76 PolarHBondContact OG1-OD1 3.23Å; T74-Q77 WeakPolarHBondContact O-CB 3.23Å; T74-Q77 PolarHBondContact O-N 2.89Å; T74-Q77 VanDerWaalsContact OG1-CD 3.31Å; T74-Q77 VanDerWaalsContact OG1-CG 3.3Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.49Å; T74-V97 HydrophobicContact CG2-CG2 3.73Å; T74-L98 HydrophobicContact CG2-CD1 4.01Å; T74-L98 HydrophobicContact CG2-CD2 3.91Å; T74-L98 HydrophobicContact CG2-CG 3.93Å | ||
| 75 | P | 69.3 | Low | 71.4 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -56.7 | -29.4 | -176.3 | -27.1 | 35.4 | 0 | 0 | 0 | 114.4 | Q77 L78 | P75-Q77 VanDerWaalsContact C-N 3.29Å; P75-Q77 PolarHBondContact O-N 3.35Å; P75-L78 PolarHBondContact O-N 2.81Å |
| 76 | D | 72.2 | Confident | 70.8 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -70.8 | -20.3 | 175.5 | 63.8 | -61.8 | 0 | 0 | 0 | 113.4 | T74 L78 K91 | T74-D76 WeakPolarHBondContact CB-OD1 3.17Å; T74-D76 PolarHBondContact O-N 2.8Å; T74-D76 VanDerWaalsContact O-N 3.12Å; T74-D76 PolarHBondContact OG1-OD1 3.23Å; D76-L78 VanDerWaalsContact C-N 3.35Å; D76-K91 WeakPolarHBondContact O-CD 3.38Å; D76-K91 WeakPolarHBondContact O-CE 3.32Å; D76-K91 PolarHBondContact O-NZ 3.36Å |
| 77 | Q | 69.9 | Low | 69.9 | Low | 38 Ų | 38 | 71 Ų | 71 | 18% | 0.178 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -88.3 | -4.5 | 175.9 | -67.7 | 179.6 | -12.9 | 0 | 0 | 113.2 | F73 T74 P75 K91 A94 V95 | F73-Q77 HydrophobicContact CB-CB 4.4Å; T74-Q77 WeakPolarHBondContact O-CB 3.23Å; T74-Q77 PolarHBondContact O-N 2.89Å; T74-Q77 VanDerWaalsContact OG1-CD 3.31Å; T74-Q77 VanDerWaalsContact OG1-CG 3.3Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.49Å; P75-Q77 VanDerWaalsContact C-N 3.29Å; P75-Q77 PolarHBondContact O-N 3.35Å; Q77-K91 PolarHBondContact O-N 2.93Å; Q77-A94 HydrophobicContact CB-CB 3.91Å; Q77-A94 HydrophobicContact CG-CB 4.13Å; Q77-V95 PolarHBondContact OE1-O 2.91Å; Q77-V95 VanDerWaalsContact OE1-O 3.06Å |
| 78 | L | 74.9 | Confident | 69.1 | Low | 24 Ų | 24 | 74.2 Ų | 74.2 | 13% | 0.126 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128 | -179.5 | -62.2 | 174 | 0 | 0 | 0 | 110.6 | F73 P75 D76 V90 | F73-L78 HydrophobicContact CB-CD1 4.44Å; F73-L78 HydrophobicContact CB-CD2 3.94Å; F73-L78 HydrophobicContact CB-CG 4.09Å; F73-L78 HydrophobicContact CG-CD2 4.35Å; P75-L78 PolarHBondContact O-N 2.81Å; D76-L78 VanDerWaalsContact C-N 3.35Å; L78-V90 HydrophobicContact CD2-CG2 3.72Å |
| 79 | L | 71.8 | Confident | 68.5 | Low | 85 Ų | 85 | 80.2 Ų | 80.2 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 127.1 | 170 | -64.8 | 171.9 | 0 | 0 | 0 | 109.2 | R88 M89 K91 | L79-R88 WeakPolarHBondContact O-CA 3.39Å; L79-M89 HydrophobicContact CB-CB 4.43Å; L79-M89 WeakPolarHBondContact CB-O 3.47Å; L79-M89 PolarHBondContact N-O 2.89Å; L79-M89 PolarHBondContact O-N 2.85Å; L79-K91 HydrophobicContact CD1-CG 4.32Å; L79-K91 HydrophobicContact CD2-CD 4.33Å; L79-K91 HydrophobicContact CD2-CG 3.73Å; L79-K91 HydrophobicContact CG-CG 3.68Å |
| 80 | Q | 66.3 | Low | 68.2 | Low | 175 Ų | 175 | 81.6 Ų | 81.6 | 82% | 0.818 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 144.1 | 172 | -66.1 | -170.4 | 16.6 | 0 | 0 | 110.4 | ||
| 81 | P | 65.8 | Low | 67.9 | Low | 52 Ų | 52 | 85.8 Ų | 85.8 | 34% | 0.338 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 138.5 | -178.8 | -4.8 | 20 | 0 | 0 | 0 | 111.1 | A83 G86 R88 | P81-A83 PolarHBondContact O-N 2.85Å; P81-G86 VanDerWaalsContact CB-C 3.46Å; P81-G86 WeakPolarHBondContact CB-O 3.35Å; P81-G86 WeakPolarHBondContact CG-O 3.4Å; P81-R88 HydrophobicContact CG-CG 4.41Å |
| 82 | K | 55.2 | Low | 67.2 | Low | 225 Ų | 225 | 93.3 Ų | 93.3 | 98% | 0.978 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -73.7 | -3.1 | 178.2 | -65 | -174.6 | 178 | -175.2 | 0 | 114.3 | ||
| 83 | A | 53.7 | Low | 66.4 | Low | 71 Ų | 71 | 94.7 Ų | 94.7 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -138.9 | 147.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P81 G85 G86 | P81-A83 PolarHBondContact O-N 2.85Å; A83-G85 PolarHBondContact O-N 3.22Å; A83-G86 PolarHBondContact O-N 2.79Å |
| 84 | A | 45.9 | Very low | 66.1 | Low | 120 Ų | 120 | 95 Ų | 95 | 99% | 0.992 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 101.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 85 | G | 53.6 | Low | 66.2 | Low | 84 Ų | 84 | 94.5 Ų | 94.5 | 87% | 0.866 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.1 | -0.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A83 | A83-G85 PolarHBondContact O-N 3.22Š|
| 86 | G | 55.8 | Low | 66.6 | Low | 38 Ų | 38 | 89.1 Ų | 89.1 | 39% | 0.392 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 154.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P81 A83 | P81-G86 VanDerWaalsContact CB-C 3.46Å; P81-G86 WeakPolarHBondContact CB-O 3.35Å; P81-G86 WeakPolarHBondContact CG-O 3.4Å; A83-G86 PolarHBondContact O-N 2.79Å |
| 87 | R | 59.5 | Low | 66.8 | Low | 157 Ų | 157 | 87.2 Ų | 87.2 | 59% | 0.592 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 141.5 | 175 | -60 | -177.4 | -166.6 | -179.7 | 7.3 | 109.9 | ||
| 88 | R | 69.7 | Low | 66.8 | Low | 117 Ų | 117 | 89.1 Ų | 89.1 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 141 | 168.8 | -61.1 | -177.4 | -126.9 | -149.4 | 1.7 | 108.7 | S37 H39 L79 P81 | S37-R88 VanDerWaalsContact CB-O 3.32Å; S37-R88 WeakPolarHBondContact CB-O 3.45Å; S37-R88 PolarHBondContact OG-O 3.12Å; H39-R88 PolarHBondContact CE1-O 3.17Å; H39-R88 VanDerWaalsContact CE1-O 3.26Å; L79-R88 WeakPolarHBondContact O-CA 3.39Å; P81-R88 HydrophobicContact CG-CG 4.41Å |
| 89 | M | 69.4 | Low | 66.8 | Low | 126 Ų | 126 | 88.7 Ų | 88.7 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.1 | 179.6 | -67.9 | -177.5 | 69.7 | 0 | 0 | 110.2 | L79 | L79-M89 HydrophobicContact CB-CB 4.43Å; L79-M89 WeakPolarHBondContact CB-O 3.47Å; L79-M89 PolarHBondContact N-O 2.89Å; L79-M89 PolarHBondContact O-N 2.85Å |
| 90 | V | 78.3 | Confident | 66.2 | Low | 29 Ų | 29 | 88.9 Ų | 88.9 | 18% | 0.176 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.2 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | H39 W51 F73 L78 A94 | H39-V90 HydrophobicContact CB-CG2 4.28Å; H39-V90 VanDerWaalsContact CD2-CG2 3.41Å; H39-V90 WeakPolarHBondContact CD2-CG2 3.4Å; W51-V90 HydrophobicContact CZ2-CG1 4.43Å; F73-V90 HydrophobicContact CD1-CG1 4Å; F73-V90 HydrophobicContact CD1-CG2 4.04Å; F73-V90 HydrophobicContact CD2-CG2 4.02Å; F73-V90 HydrophobicContact CE1-CG1 3.78Å; F73-V90 HydrophobicContact CE1-CG2 3.99Å; F73-V90 HydrophobicContact CE2-CG2 3.97Å; F73-V90 HydrophobicContact CG-CG2 4.05Å; F73-V90 HydrophobicContact CZ-CG1 4.39Å; F73-V90 HydrophobicContact CZ-CG2 3.97Å; L78-V90 HydrophobicContact CD2-CG2 3.72Å; V90-A94 HydrophobicContact CG1-CB 3.48Å; V90-A94 VanDerWaalsContact CG1-CB 3.48Å |
| 91 | K | 74.6 | Confident | 66 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 42% | 0.417 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 147.9 | 175.8 | -73.6 | -178.9 | 178.8 | 174.3 | 0 | 110.7 | D76 Q77 L79 G93 A94 | D76-K91 WeakPolarHBondContact O-CD 3.38Å; D76-K91 WeakPolarHBondContact O-CE 3.32Å; D76-K91 PolarHBondContact O-NZ 3.36Å; Q77-K91 PolarHBondContact O-N 2.93Å; L79-K91 HydrophobicContact CD1-CG 4.32Å; L79-K91 HydrophobicContact CD2-CD 4.33Å; L79-K91 HydrophobicContact CD2-CG 3.73Å; L79-K91 HydrophobicContact CG-CG 3.68Å; K91-G93 PolarHBondContact O-N 3Å; K91-A94 HydrophobicContact CB-CB 4.44Å; K91-A94 WeakPolarHBondContact O-CB 3.24Å; K91-A94 PolarHBondContact O-N 2.82Å; K91-A94 VanDerWaalsContact O-N 3.15Å |
| 92 | R | 66.2 | Low | 65.5 | Low | 259 Ų | 259 | 83 Ų | 83 | 98% | 0.977 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 125.4 | 175.5 | -64.7 | -171.9 | -155.9 | -141.6 | 5.2 | 109.1 | ||
| 93 | G | 67 | Low | 65.2 | Low | 42 Ų | 42 | 81 Ų | 81 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -3.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | K91 | K91-G93 PolarHBondContact O-N 3Š|
| 94 | A | 75.1 | Confident | 64.5 | Low | 10 Ų | 10 | 84.1 Ų | 84.1 | 8% | 0.083 | 46% | 0.459 | C | S | . | . | trans | -71 | 148.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W51 Q77 V90 K91 | W51-A94 PolarHBondContact NE1-O 2.77Å; Q77-A94 HydrophobicContact CB-CB 3.91Å; Q77-A94 HydrophobicContact CG-CB 4.13Å; V90-A94 HydrophobicContact CG1-CB 3.48Å; V90-A94 VanDerWaalsContact CG1-CB 3.48Å; K91-A94 HydrophobicContact CB-CB 4.44Å; K91-A94 WeakPolarHBondContact O-CB 3.24Å; K91-A94 PolarHBondContact O-N 2.82Å; K91-A94 VanDerWaalsContact O-N 3.15Å | ||
| 95 | V | 76.8 | Confident | 63.9 | Low | 20 Ų | 20 | 83.5 Ų | 83.5 | 12% | 0.121 | 45% | 0.448 | C | S | . | . | trans | -127.1 | 133.7 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | L47 R50 T54 Q77 V97 | L47-V95 HydrophobicContact CD1-CG2 3.65Å; R50-V95 HydrophobicContact CB-CG1 4.38Å; R50-V95 HydrophobicContact CB-CG2 4.28Å; T54-V95 HydrophobicContact CG2-CG1 3.87Å; Q77-V95 PolarHBondContact OE1-O 2.91Å; Q77-V95 VanDerWaalsContact OE1-O 3.06Å; V95-V97 PolarHBondContact O-N 3.36Å | ||
| 96 | P | 77.8 | Confident | 62.9 | Low | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | trans | -64.8 | 130.4 | 175.7 | 26.7 | -32.4 | 0 | 0 | 0 | 109.2 | W51 T54 V68 H72 F73 F99 | W51-P96 HydrophobicContact CD2-CG 4.18Å; W51-P96 HydrophobicContact CG-CG 4.26Å; T54-P96 PolarHBondContact OG1-O 3.1Å; V68-P96 HydrophobicContact CG1-CB 4.43Å; H72-P96 HydrophobicContact CB-CB 3.79Å; H72-P96 CarbonylContact O-C 3.6Å; H72-P96 WeakPolarHBondContact O-CA 3.32Å; H72-P96 WeakPolarHBondContact O-CB 3.33Å; F73-P96 HydrophobicContact CD1-CB 4.35Å; F73-P96 HydrophobicContact CE1-CB 3.93Å; F73-P96 HydrophobicContact CE1-CG 4.28Å; F73-P96 HydrophobicContact CE2-CB 4.25Å; F73-P96 HydrophobicContact CZ-CB 3.86Å; F73-P96 HydrophobicContact CZ-CG 4.14Å; P96-F99 HydrophobicContact CB-CE2 4.28Å; P96-F99 HydrophobicContact CB-CZ 3.76Å; P96-F99 HydrophobicContact CG-CZ 4.02Å; P96-F99 WeakPolarHBondContact O-CE2 3.45Å | ||
| 97 | V | 74.8 | Confident | 61.8 | Low | 64 Ų | 64 | 90.6 Ų | 90.6 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | trans | -127.9 | -15.3 | -174.4 | -70.4 | 0 | 0 | 0 | 0 | 113 | H72 T74 V95 F99 | H72-V97 PolarHBondContact O-N 3.14Å; T74-V97 HydrophobicContact CG2-CG2 3.73Å; V95-V97 PolarHBondContact O-N 3.36Å; V97-F99 PolarHBondContact O-N 3.07Å | ||
| 98 | L | 70.4 | Confident | 60.5 | Low | 77 Ų | 77 | 88.1 Ų | 88.1 | 40% | 0.403 | 46% | 0.46 | S | S | . | . | trans | -93 | 99.2 | -177.5 | -60 | 178.3 | 0 | 0 | 0 | 110.1 | H72 T74 | H72-L98 PolarHBondContact ND1-O 2.64Å; H72-L98 PolarHBondContact O-N 2.81Å; H72-L98 VanDerWaalsContact O-N 3.12Å; T74-L98 HydrophobicContact CG2-CD1 4.01Å; T74-L98 HydrophobicContact CG2-CD2 3.91Å; T74-L98 HydrophobicContact CG2-CG 3.93Å | ||
| 99 | F | 74.6 | Confident | 58.8 | Low | 15 Ų | 15 | 88.1 Ų | 88.1 | 7% | 0.066 | 48% | 0.475 | C | S | . | . | trans | -131.7 | 151.3 | 177 | -57.7 | -80.6 | 0 | 0 | 0 | 111.7 | V23 I55 H72 P96 V97 W101 S102 | V23-F99 HydrophobicContact CG1-CD1 3.67Å; V23-F99 HydrophobicContact CG1-CE1 3.63Å; V23-F99 HydrophobicContact CG2-CE1 4.1Å; I55-F99 HydrophobicContact CG1-CE1 4.11Å; I55-F99 HydrophobicContact CG1-CZ 4Å; H72-F99 HydrophobicContact CB-CE1 4.37Å; H72-F99 AromaticContact ND1-CD1 3.75Å; H72-F99 AromaticContact ND1-CE1 3.91Å; P96-F99 HydrophobicContact CB-CE2 4.28Å; P96-F99 HydrophobicContact CB-CZ 3.76Å; P96-F99 HydrophobicContact CG-CZ 4.02Å; P96-F99 WeakPolarHBondContact O-CE2 3.45Å; V97-F99 PolarHBondContact O-N 3.07Å; F99-W101 HydrophobicContact CB-CD2 3.67Å; F99-W101 HydrophobicContact CB-CE3 4.14Å; F99-W101 HydrophobicContact CB-CG 4.11Å; F99-W101 HydrophobicContact CB-CH2 4.14Å; F99-W101 HydrophobicContact CB-CZ2 3.66Å; F99-W101 HydrophobicContact CB-CZ3 4.36Å; F99-W101 AromaticContact CD1-CE2 3.85Å; F99-W101 AromaticContact CD1-CH2 3.6Å; F99-W101 HydrophobicContact CD1-CH2 3.6Å; F99-W101 AromaticContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ3 4.5Å; F99-W101 HydrophobicContact CD2-CZ2 4.4Å; F99-W101 HydrophobicContact CE1-CH2 4.37Å; F99-W101 AromaticContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CG-CD2 4.41Å; F99-W101 AromaticContact CG-CE2 3.62Å; F99-W101 HydrophobicContact CG-CH2 4.17Å; F99-W101 AromaticContact CG-CZ2 3.5Å; F99-W101 HydrophobicContact CG-CZ2 3.5Å; F99-W101 AromaticContact CG-NE1 3.79Å; F99-W101 PolarHBondContact O-N 2.86Å; F99-W101 VanDerWaalsContact O-N 3.08Å; F99-S102 PolarHBondContact N-OG 3.09Å; F99-S102 PolarHBondContact O-N 2.85Å; F99-S102 PolarHBondContact O-OG 3.09Å | ||
| 100 | P | 58.9 | Low | 57.1 | Low | 89 Ų | 89 | 93.9 Ų | 93.9 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.2 | 174.3 | -25.1 | 33.8 | 0 | 0 | 0 | 113.9 | ||
| 101 | W | 63.6 | Low | 55 | Low | 35 Ų | 35 | 97.5 Ų | 97.5 | 13% | 0.133 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 1.5 | 179.5 | 56.1 | 83.8 | 0 | 0 | 0 | 114.9 | V23 P24 T54 F99 H103 Q104 | V23-W101 HydrophobicContact CG1-CH2 3.63Å; V23-W101 HydrophobicContact CG1-CZ2 4.32Å; P24-W101 HydrophobicContact CB-CH2 4.09Å; P24-W101 HydrophobicContact CB-CZ3 4.22Å; P24-W101 HydrophobicContact CG-CH2 4.13Å; T54-W101 PolarHBondContact O-NE1 3.29Å; F99-W101 HydrophobicContact CB-CD2 3.67Å; F99-W101 HydrophobicContact CB-CE3 4.14Å; F99-W101 HydrophobicContact CB-CG 4.11Å; F99-W101 HydrophobicContact CB-CH2 4.14Å; F99-W101 HydrophobicContact CB-CZ2 3.66Å; F99-W101 HydrophobicContact CB-CZ3 4.36Å; F99-W101 AromaticContact CD1-CE2 3.85Å; F99-W101 AromaticContact CD1-CH2 3.6Å; F99-W101 HydrophobicContact CD1-CH2 3.6Å; F99-W101 AromaticContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ3 4.5Å; F99-W101 HydrophobicContact CD2-CZ2 4.4Å; F99-W101 HydrophobicContact CE1-CH2 4.37Å; F99-W101 AromaticContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CG-CD2 4.41Å; F99-W101 AromaticContact CG-CE2 3.62Å; F99-W101 HydrophobicContact CG-CH2 4.17Å; F99-W101 AromaticContact CG-CZ2 3.5Å; F99-W101 HydrophobicContact CG-CZ2 3.5Å; F99-W101 AromaticContact CG-NE1 3.79Å; F99-W101 PolarHBondContact O-N 2.86Å; F99-W101 VanDerWaalsContact O-N 3.08Å; W101-H103 PolarHBondContact O-N 3.5Å; W101-Q104 PolarHBondContact O-N 3.16Å |
| 102 | S | 55 | Low | 53.2 | Low | 68 Ų | 68 | 96.4 Ų | 96.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 0.8 | 175.4 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | F99 | F99-S102 PolarHBondContact N-OG 3.09Å; F99-S102 PolarHBondContact O-N 2.85Å; F99-S102 PolarHBondContact O-OG 3.09Å |
| 103 | H | 47.4 | Very low | 51.4 | Low | 185 Ų | 185 | 93.4 Ų | 93.4 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 0 | 166.3 | -81.9 | -81.1 | 0 | 0 | 0 | 114.4 | W101 | W101-H103 PolarHBondContact O-N 3.5Š|
| 104 | Q | 40.2 | Very low | 49.7 | Very low | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -101 | 114.2 | 169.1 | -73 | 174.8 | -8 | 0 | 0 | 108.2 | W101 V106 | W101-Q104 PolarHBondContact O-N 3.16Å; Q104-V106 PolarHBondContact O-N 3.33Å |
| 105 | S | 32.2 | Very low | 47.6 | Very low | 108 Ų | 108 | 108.9 Ų | 108.9 | 76% | 0.755 | 60% | 0.595 | S | S | * | * | trans | -41.1 | 121.1 | -179.2 | 43.9 | 0 | 0 | 0 | 0 | 112 | Q107 | S105-Q107 PolarHBondContact O-N 3.27Š| ||
| 106 | V | 34 | Very low | 45.4 | Very low | 108 Ų | 108 | 114 Ų | 114 | 66% | 0.655 | 63% | 0.628 | S | S | * | * | trans | -75.3 | 108.9 | 155.1 | 171.8 | 0 | 0 | 0 | 0 | 104.9 | Q104 | Q104-V106 PolarHBondContact O-N 3.33Š| ||
| 107 | Q | 32.3 | Very low | 43.2 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 135 | 158.4 | -73.4 | -94.8 | -14.8 | 0 | 0 | 107.8 | S105 | S105-Q107 PolarHBondContact O-N 3.27Š|
| 108 | P | 32.4 | Very low | 41.1 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144.4 | 178.6 | 23.7 | -30.5 | 0 | 0 | 0 | 110 | R110 | P108-R110 PolarHBondContact O-N 3.48Š|
| 109 | P | 33 | Very low | 39.2 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 126.1 | 175.3 | -14.9 | 27.4 | 0 | 0 | 0 | 109.4 | A111 | P109-A111 PolarHBondContact O-N 2.81Š|
| 110 | R | 34.1 | Very low | 37.3 | Very low | 247 Ų | 247 | 137.9 Ų | 137.9 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.5 | 160.9 | -81.2 | -179.6 | 174.8 | 172.6 | -2.6 | 107.7 | P108 | P108-R110 PolarHBondContact O-N 3.48Š|
| 111 | A | 34.1 | Very low | 36.1 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -64.7 | 132.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P109 | P109-A111 PolarHBondContact O-N 2.81Š|
| 112 | G | 36.6 | Very low | 35.4 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 103.9 | 72.4 | 157 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 113 | Q | 30.2 | Very low | 34.4 | Very low | 196 Ų | 196 | 149 Ų | 149 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 103.4 | 141.3 | -73.2 | -168.1 | -43.9 | 0 | 0 | 107.6 | ||||
| 114 | Q | 31.2 | Very low | 33.7 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 138.6 | 166.1 | -81.8 | 173.3 | -43.4 | 0 | 0 | 108.9 | ||
| 115 | E | 30.2 | Very low | 33.6 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 152.8 | 176.8 | -74.8 | 179.3 | 146 | 0 | 0 | 111.9 | ||
| 116 | P | 29.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 119.4 | 174.8 | 31.1 | -28.3 | 0 | 0 | 0 | 110.2 | ||
| 117 | E | 31.4 | Very low | 33.7 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 151.4 | 161.4 | -84.5 | -168.4 | 157.2 | 0 | 0 | 111.8 | ||
| 118 | S | 32.2 | Very low | 33.8 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 147.5 | -164.3 | 42.4 | 0 | 0 | 0 | 0 | 118 | ||
| 119 | R | 30.8 | Very low | 34.4 | Very low | 234 Ų | 234 | 149.2 Ų | 149.2 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 145.3 | 159.9 | -69.6 | -179.5 | 175.3 | 177.6 | -2.5 | 111.9 | ||
| 120 | P | 33.8 | Very low | 35 | Very low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | -113.9 | 154.7 | 126.7 | 3.5 | 17 | 0 | 0 | 0 | 111.2 | |||||
| 121 | D | 34.3 | Very low | 35.2 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | trans | -73.8 | 176.7 | -174.9 | -110.1 | -16.6 | 0 | 0 | 0 | 114 | ||||
| 122 | P | 48.2 | Very low | 35.4 | Very low | 104 Ų | 104 | 142 Ų | 142 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | trans | -91.6 | 147.5 | -147.3 | 37.2 | -34.9 | 0 | 0 | 0 | 114.2 | ||||
| 123 | D | 33.9 | Very low | 35.2 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -177.2 | 142.2 | 140 | -106.4 | -25 | 0 | 0 | 0 | 112.1 | ||||
| 124 | G | 33.2 | Very low | 35.6 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 101.2 | 91.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 125 | R | 37.7 | Very low | 36.1 | Very low | 251 Ų | 251 | 142.3 Ų | 142.3 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | 17.5 | 124.2 | 142.1 | -58.6 | 175.5 | -178.7 | -178.2 | -0.5 | 119.3 | ||||
| 126 | A | 32.1 | Very low | 36.8 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | 158.2 | 126.7 | 109.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 127 | A | 35.3 | Very low | 37.3 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 51 | 123 | 142.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 128 | D | 35.9 | Very low | 38.2 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 162.6 | 164.6 | -64.1 | -49.3 | 0 | 0 | 0 | 114.2 | ||||
| 129 | P | 44.8 | Very low | 39.1 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -139.7 | 168.1 | 122.3 | 31.4 | -13.2 | 0 | 0 | 0 | 115.4 | |||||
| 130 | P | 45 | Very low | 40.2 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -108 | 156.4 | -144.8 | 38.9 | -32.5 | 0 | 0 | 0 | 117.2 | ||||
| 131 | V | 38.8 | Very low | 41.1 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | 65.6 | 121.3 | 137.9 | -179.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 132 | G | 38.2 | Very low | 42.1 | Very low | 57 Ų | 57 | 137.6 Ų | 137.6 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | 125.5 | 107.3 | 118 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 133 | F | 32.6 | Very low | 42.7 | Very low | 220 Ų | 220 | 138.6 Ų | 138.6 | 97% | 0.965 | 80% | 0.795 | S | S | * | * | trans | -160 | 142.2 | 140.3 | -111.3 | -80.7 | 0 | 0 | 0 | 111.2 | ||||
| 134 | S | 39.3 | Very low | 43.8 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 136.4 | -162.4 | -165.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 135 | L | 40.5 | Very low | 45 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -69.1 | 123.9 | 160.9 | -102.5 | 137.3 | 0 | 0 | 0 | 109.6 | ||||
| 136 | L | 45.7 | Very low | 46 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | -105.9 | 108.5 | 152.9 | -112.5 | 79.8 | 0 | 0 | 0 | 106.2 | H138 | L136-H138 PolarHBondContact O-N 2.99Š| ||
| 137 | D | 39.9 | Very low | 47.4 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -67 | 119.3 | 169.7 | -92.7 | -29.1 | 0 | 0 | 0 | 109 | ||||
| 138 | H | 49.6 | Very low | 48.6 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 70% | 0.704 | 72% | 0.724 | S | S | * | * | trans | -97.3 | 116.1 | 164.5 | -78.3 | -62 | 0 | 0 | 0 | 108.6 | L136 Y140 | L136-H138 PolarHBondContact O-N 2.99Å; H138-Y140 PolarHBondContact O-N 2.91Å | ||
| 139 | D | 52.5 | Low | 49.8 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | -63 | 97.1 | 177 | -172 | 2.9 | 0 | 0 | 0 | 110.8 | C141 | D139-C141 PolarHBondContact OD1-N 3.15Š| ||
| 140 | Y | 53.1 | Low | 51 | Low | 222 Ų | 222 | 124.4 Ų | 124.4 | 87% | 0.871 | 70% | 0.699 | S | S | * | * | trans | -97.4 | 21.7 | -179.6 | -136.3 | -84.9 | 0 | 0 | 0 | 112.3 | H138 | H138-Y140 PolarHBondContact O-N 2.91Š| ||
| 141 | C | 52.4 | Low | 52.3 | Low | 107 Ų | 107 | 122.5 Ų | 122.5 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | trans | -118.1 | 52 | -174.7 | -71.5 | 0 | 0 | 0 | 0 | 113.1 | D139 | D139-C141 PolarHBondContact OD1-N 3.15Š| ||
| 142 | S | 56.4 | Low | 53.9 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | trans | -91.3 | 97.7 | 159 | -53.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 143 | V | 59.5 | Low | 55.7 | Low | 126 Ų | 126 | 116.3 Ų | 116.3 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 127.3 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | E145 | V143-E145 PolarHBondContact O-N 2.65Š|
| 144 | P | 57.4 | Low | 57.9 | Low | 75 Ų | 75 | 111.1 Ų | 111.1 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 139.5 | 175.5 | -21.5 | 30.9 | 0 | 0 | 0 | 110.5 | L149 | P144-L149 HydrophobicContact CB-CD1 4.38Å; P144-L149 HydrophobicContact CB-CG 4.34Å |
| 145 | E | 58.7 | Low | 59.9 | Low | 138 Ų | 138 | 111.7 Ų | 111.7 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -60 | 143.2 | 178.5 | -87.5 | -155.6 | 151.3 | 0 | 0 | 110.5 | V143 A147 D148 | V143-E145 PolarHBondContact O-N 2.65Å; E145-A147 PolarHBondContact O-N 3.48Å; E145-D148 PolarHBondContact O-N 2.89Å |
| 146 | P | 59.5 | Low | 61.7 | Low | 96 Ų | 96 | 108.8 Ų | 108.8 | 62% | 0.623 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54 | -30.3 | -177.1 | -25.3 | 32.6 | 0 | 0 | 0 | 113.9 | L149 D150 | P146-L149 PolarHBondContact O-N 3.38Å; P146-D150 PolarHBondContact O-N 3.34Å; P146-D150 VanDerWaalsContact O-N 3.13Å |
| 147 | A | 60.1 | Low | 63.6 | Low | 57 Ų | 57 | 107.1 Ų | 107.1 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68 | -33.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E145 T151 | E145-A147 PolarHBondContact O-N 3.48Å; A147-T151 WeakPolarHBondContact O-CB 3.48Å; A147-T151 PolarHBondContact O-N 3.32Å; A147-T151 VanDerWaalsContact O-N 3.07Å; A147-T151 PolarHBondContact O-OG1 2.94Å |
| 148 | D | 60.4 | Low | 65.8 | Low | 105 Ų | 105 | 104 Ų | 104 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.1 | -33.6 | 179.1 | -66.6 | -31.2 | 0 | 0 | 0 | 111.2 | E145 A152 | E145-D148 PolarHBondContact O-N 2.89Å; D148-A152 WeakPolarHBondContact O-CB 3.31Å; D148-A152 PolarHBondContact O-N 3.32Å; D148-A152 VanDerWaalsContact O-N 3.08Å |
| 149 | L | 61.4 | Low | 67.5 | Low | 102 Ų | 102 | 101.5 Ų | 101.5 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.7 | -40.6 | 174.9 | -76.3 | 163.3 | 0 | 0 | 0 | 112.1 | P144 P146 G153 | P144-L149 HydrophobicContact CB-CD1 4.38Å; P144-L149 HydrophobicContact CB-CG 4.34Å; P146-L149 PolarHBondContact O-N 3.38Å; L149-G153 PolarHBondContact O-N 3.13Å |
| 150 | D | 69.6 | Low | 69 | Low | 110 Ų | 110 | 100.4 Ų | 100.4 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.9 | -37.7 | 176.9 | -77.9 | -13.1 | 0 | 0 | 0 | 111.8 | P146 G153 N154 | P146-D150 PolarHBondContact O-N 3.34Å; P146-D150 VanDerWaalsContact O-N 3.13Å; D150-G153 PolarHBondContact O-N 3.31Å; D150-N154 VanDerWaalsContact O-CG 3.24Å; D150-N154 PolarHBondContact O-N 3.12Å; D150-N154 PolarHBondContact O-ND2 3.38Å; D150-N154 VanDerWaalsContact O-ND2 3.17Å |
| 151 | T | 71.8 | Confident | 70.6 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 45% | 0.448 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65 | -46.8 | 176 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | A147 G153 N154 E155 | A147-T151 WeakPolarHBondContact O-CB 3.48Å; A147-T151 PolarHBondContact O-N 3.32Å; A147-T151 VanDerWaalsContact O-N 3.07Å; A147-T151 PolarHBondContact O-OG1 2.94Å; T151-G153 VanDerWaalsContact C-N 3.29Å; T151-G153 PolarHBondContact O-N 3.29Å; T151-N154 PolarHBondContact O-N 2.93Å; T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 2.94Å |
| 152 | A | 73.2 | Confident | 72.3 | Confident | 43 Ų | 43 | 95.5 Ų | 95.5 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -31.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D148 N156 | D148-A152 WeakPolarHBondContact O-CB 3.31Å; D148-A152 PolarHBondContact O-N 3.32Å; D148-A152 VanDerWaalsContact O-N 3.08Å; A152-N156 WeakPolarHBondContact O-CB 3.39Å; A152-N156 PolarHBondContact O-N 3.02Å; A152-N156 PolarHBondContact O-ND2 3.47Å |
| 153 | G | 76.6 | Confident | 73.4 | Confident | 33 Ų | 33 | 95.1 Ų | 95.1 | 34% | 0.34 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L149 D150 T151 N156 E157 | L149-G153 PolarHBondContact O-N 3.13Å; D150-G153 PolarHBondContact O-N 3.31Å; T151-G153 VanDerWaalsContact C-N 3.29Å; T151-G153 PolarHBondContact O-N 3.29Å; G153-N156 PolarHBondContact O-N 3.04Å; G153-E157 PolarHBondContact O-N 3.27Å |
| 154 | N | 77.4 | Confident | 74.4 | Confident | 111 Ų | 111 | 96 Ų | 96 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 178.6 | -67.7 | -29.2 | 0 | 0 | 0 | 111.9 | D150 T151 N156 E157 T158 | D150-N154 VanDerWaalsContact O-CG 3.24Å; D150-N154 PolarHBondContact O-N 3.12Å; D150-N154 PolarHBondContact O-ND2 3.38Å; D150-N154 VanDerWaalsContact O-ND2 3.17Å; T151-N154 PolarHBondContact O-N 2.93Å; N154-N156 VanDerWaalsContact C-N 3.3Å; N154-N156 PolarHBondContact O-N 2.96Å; N154-E157 PolarHBondContact O-N 3.18Å; N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 3.43Å |
| 155 | E | 81.7 | Confident | 75.3 | Confident | 115 Ų | 115 | 97.9 Ų | 97.9 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 174.9 | -72.7 | 178.5 | 179.3 | 0 | 0 | 111.6 | T151 E157 T158 L159 | T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 2.94Å; E155-E157 PolarHBondContact O-N 3.45Å; E155-T158 WeakPolarHBondContact CA-OG1 3.32Å; E155-T158 PolarHBondContact O-N 2.97Å; E155-T158 PolarHBondContact O-OG1 3.46Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 VanDerWaalsContact O-CG 3.31Å; E155-L159 WeakPolarHBondContact O-CG 3.29Å; E155-L159 PolarHBondContact O-N 3.23Å |
| 156 | N | 78.6 | Confident | 76.2 | Confident | 87 Ų | 87 | 95.6 Ų | 95.6 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176 | -86.9 | -59.8 | 0 | 0 | 0 | 113 | A152 G153 N154 K160 | A152-N156 WeakPolarHBondContact O-CB 3.39Å; A152-N156 PolarHBondContact O-N 3.02Å; A152-N156 PolarHBondContact O-ND2 3.47Å; G153-N156 PolarHBondContact O-N 3.04Å; N154-N156 VanDerWaalsContact C-N 3.3Å; N154-N156 PolarHBondContact O-N 2.96Å; N156-K160 WeakPolarHBondContact O-CB 3.44Å; N156-K160 WeakPolarHBondContact O-CG 3.4Å; N156-K160 PolarHBondContact O-N 2.9Å |
| 157 | E | 85.3 | Confident | 76.8 | Confident | 101 Ų | 101 | 94.3 Ų | 94.3 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 175 | -68.2 | -53.1 | 134.2 | 0 | 0 | 111.5 | G153 N154 E155 L159 K160 E161 | G153-E157 PolarHBondContact O-N 3.27Å; N154-E157 PolarHBondContact O-N 3.18Å; E155-E157 PolarHBondContact O-N 3.45Å; E157-L159 PolarHBondContact O-N 3.46Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.35Å; E157-K160 IonicContact OE1-NZ 3.86Å; E157-K160 PolarHBondContact OE1-NZ 3.23Å; E157-E161 PolarHBondContact O-N 3.3Å |
| 158 | T | 86.5 | Confident | 77 | Confident | 85 Ų | 85 | 98 Ų | 98 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.4 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | N154 E155 E161 E162 | N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 3.43Å; E155-T158 WeakPolarHBondContact CA-OG1 3.32Å; E155-T158 PolarHBondContact O-N 2.97Å; E155-T158 PolarHBondContact O-OG1 3.46Å; T158-E161 PolarHBondContact O-N 2.98Å; T158-E162 WeakPolarHBondContact O-CB 3.45Å; T158-E162 PolarHBondContact O-N 3.34Å |
| 159 | L | 84.8 | Confident | 76.9 | Confident | 98 Ų | 98 | 99.5 Ų | 99.5 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 176.2 | -72.1 | 171.1 | 0 | 0 | 0 | 111.8 | E155 E157 E162 I163 | E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 VanDerWaalsContact O-CG 3.31Å; E155-L159 WeakPolarHBondContact O-CG 3.29Å; E155-L159 PolarHBondContact O-N 3.23Å; E157-L159 PolarHBondContact O-N 3.46Å; L159-E162 PolarHBondContact O-N 3.43Å; L159-I163 VanDerWaalsContact O-CB 3.29Å; L159-I163 WeakPolarHBondContact O-CB 3.38Å; L159-I163 WeakPolarHBondContact O-CD1 3.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 3.02Å |
| 160 | K | 85.2 | Confident | 76.8 | Confident | 116 Ų | 116 | 101.6 Ų | 101.6 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 173.7 | -78.5 | 169.6 | -170 | 171.7 | 0 | 111.9 | N156 E157 K164 | N156-K160 WeakPolarHBondContact O-CB 3.44Å; N156-K160 WeakPolarHBondContact O-CG 3.4Å; N156-K160 PolarHBondContact O-N 2.9Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.35Å; E157-K160 IonicContact OE1-NZ 3.86Å; E157-K160 PolarHBondContact OE1-NZ 3.23Å; K160-K164 VanDerWaalsContact O-CB 3.25Å; K160-K164 WeakPolarHBondContact O-CB 3.3Å; K160-K164 PolarHBondContact O-N 2.97Å |
| 161 | E | 85.9 | Confident | 76.2 | Confident | 139 Ų | 139 | 103 Ų | 103 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -42.7 | 176.7 | -72.6 | -172.2 | 157.7 | 0 | 0 | 111.8 | E157 T158 K164 K165 | E157-E161 PolarHBondContact O-N 3.3Å; T158-E161 PolarHBondContact O-N 2.98Å; E161-K164 WeakPolarHBondContact O-CB 3.36Å; E161-K164 PolarHBondContact O-N 2.91Å; E161-K165 PolarHBondContact O-N 3.13Å |
| 162 | E | 87.8 | Confident | 75.4 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 41% | 0.407 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 177.3 | -174.4 | 58.3 | -152.4 | 0 | 0 | 111.6 | T158 L159 K164 K165 Q166 | T158-E162 WeakPolarHBondContact O-CB 3.45Å; T158-E162 PolarHBondContact O-N 3.34Å; L159-E162 PolarHBondContact O-N 3.43Å; E162-K164 VanDerWaalsContact C-N 3.3Å; E162-K164 PolarHBondContact O-N 3.15Å; E162-K165 PolarHBondContact O-N 3.48Å; E162-Q166 WeakPolarHBondContact O-CG 3.37Å; E162-Q166 PolarHBondContact O-N 3.05Å; E162-Q166 PolarHBondContact OE1-NE2 3.1Å |
| 163 | I | 80.3 | Confident | 74.5 | Confident | 100 Ų | 100 | 108.3 Ų | 108.3 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 173.3 | -72.1 | 167.7 | 0 | 0 | 0 | 110.6 | L159 K165 Q166 V167 | L159-I163 VanDerWaalsContact O-CB 3.29Å; L159-I163 WeakPolarHBondContact O-CB 3.38Å; L159-I163 WeakPolarHBondContact O-CD1 3.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 3.02Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 3.14Å; I163-Q166 PolarHBondContact O-N 3.01Å; I163-V167 HydrophobicContact CG2-CG2 4.2Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.22Å; I163-V167 WeakPolarHBondContact O-CG2 3.31Å; I163-V167 PolarHBondContact O-N 2.81Å |
| 164 | K | 79.7 | Confident | 73.5 | Confident | 146 Ų | 146 | 112 Ų | 112 | 64% | 0.635 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.1 | -43.5 | 177.7 | -176.2 | -177.2 | 175.8 | -170.3 | 0 | 111.2 | K160 E161 E162 V167 E168 | K160-K164 VanDerWaalsContact O-CB 3.25Å; K160-K164 WeakPolarHBondContact O-CB 3.3Å; K160-K164 PolarHBondContact O-N 2.97Å; E161-K164 WeakPolarHBondContact O-CB 3.36Å; E161-K164 PolarHBondContact O-N 2.91Å; E162-K164 VanDerWaalsContact C-N 3.3Å; E162-K164 PolarHBondContact O-N 3.15Å; K164-V167 PolarHBondContact O-N 3.14Å; K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 2.89Å |
| 165 | K | 77.3 | Confident | 73.2 | Confident | 113 Ų | 113 | 110.4 Ų | 110.4 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.8 | -46.7 | 177 | -172.9 | -175.4 | 172.6 | -164.5 | 0 | 111.9 | E161 E162 I163 V167 E168 E169 | E161-K165 PolarHBondContact O-N 3.13Å; E162-K165 PolarHBondContact O-N 3.48Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 3.14Å; K165-V167 VanDerWaalsContact C-N 3.33Å; K165-V167 PolarHBondContact O-N 3.35Å; K165-E168 WeakPolarHBondContact O-CB 3.35Å; K165-E168 PolarHBondContact O-N 3.17Å; K165-E168 VanDerWaalsContact O-N 3.09Å; K165-E169 WeakPolarHBondContact CE-OE1 3.34Å; K165-E169 PolarHBondContact O-N 3.49Å |
| 166 | Q | 77.8 | Confident | 73.3 | Confident | 90 Ų | 90 | 105.9 Ų | 105.9 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 176.8 | -69.8 | -179.8 | 13.8 | 0 | 0 | 112.5 | E162 I163 E168 E169 L170 | E162-Q166 WeakPolarHBondContact O-CG 3.37Å; E162-Q166 PolarHBondContact O-N 3.05Å; E162-Q166 PolarHBondContact OE1-NE2 3.1Å; I163-Q166 PolarHBondContact O-N 3.01Å; Q166-E168 VanDerWaalsContact C-N 3.3Å; Q166-E168 PolarHBondContact O-N 3.42Å; Q166-E169 PolarHBondContact O-N 3.31Å; Q166-L170 VanDerWaalsContact O-CB 3.32Å; Q166-L170 WeakPolarHBondContact O-CB 3.3Å; Q166-L170 VanDerWaalsContact O-CG 3.25Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 2.88Å |
| 167 | V | 71.3 | Confident | 73.8 | Confident | 69 Ų | 69 | 102 Ų | 102 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -32.2 | 173.3 | 167 | 0 | 0 | 0 | 0 | 111.8 | I163 K164 K165 K171 | I163-V167 HydrophobicContact CG2-CG2 4.2Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.22Å; I163-V167 WeakPolarHBondContact O-CG2 3.31Å; I163-V167 PolarHBondContact O-N 2.81Å; K164-V167 PolarHBondContact O-N 3.14Å; K165-V167 VanDerWaalsContact C-N 3.33Å; K165-V167 PolarHBondContact O-N 3.35Å; V167-K171 VanDerWaalsContact O-CG 3.27Å; V167-K171 WeakPolarHBondContact O-CG 3.49Å; V167-K171 PolarHBondContact O-N 3.31Å |
| 168 | E | 63.7 | Low | 74 | Confident | 134 Ų | 134 | 97.3 Ų | 97.3 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.8 | -37.2 | 176.7 | -159.9 | 148 | -149.9 | 0 | 0 | 111.6 | K164 K165 Q166 | K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 2.89Å; K165-E168 WeakPolarHBondContact O-CB 3.35Å; K165-E168 PolarHBondContact O-N 3.17Å; K165-E168 VanDerWaalsContact O-N 3.09Å; Q166-E168 VanDerWaalsContact C-N 3.3Å; Q166-E168 PolarHBondContact O-N 3.42Å |
| 169 | E | 58.7 | Low | 73.9 | Confident | 137 Ų | 137 | 99.7 Ų | 99.7 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70 | -34.5 | 173.2 | -72.4 | 174.7 | -176.7 | 0 | 0 | 113.2 | K165 Q166 | K165-E169 WeakPolarHBondContact CE-OE1 3.34Å; K165-E169 PolarHBondContact O-N 3.49Å; Q166-E169 PolarHBondContact O-N 3.31Å |
| 170 | L | 60.3 | Low | 74 | Confident | 147 Ų | 147 | 103 Ų | 103 | 77% | 0.77 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -85.5 | -8.7 | 178.8 | -69 | 170.7 | 0 | 0 | 0 | 114 | Q166 I172 | Q166-L170 VanDerWaalsContact O-CB 3.32Å; Q166-L170 WeakPolarHBondContact O-CB 3.3Å; Q166-L170 VanDerWaalsContact O-CG 3.25Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 2.88Å; L170-I172 PolarHBondContact O-N 2.95Å |
| 171 | K | 55.8 | Low | 74.1 | Confident | 139 Ų | 139 | 97.7 Ų | 97.7 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | trans | -73.8 | 105.2 | 170.1 | -87.9 | 170 | -176 | 173.3 | 0 | 109 | V167 P173 | V167-K171 VanDerWaalsContact O-CG 3.27Å; V167-K171 WeakPolarHBondContact O-CG 3.49Å; V167-K171 PolarHBondContact O-N 3.31Å; K171-P173 WeakPolarHBondContact O-CD 3.46Å; K171-P173 VanDerWaalsContact O-N 3.16Å | ||
| 172 | I | 55 | Low | 74 | Confident | 152 Ų | 152 | 95 Ų | 95 | 78% | 0.779 | 48% | 0.478 | S | S | * | . | trans | -49.9 | 123.5 | 153.6 | -58.2 | 170.3 | 0 | 0 | 0 | 105.9 | L170 S174 | L170-I172 PolarHBondContact O-N 2.95Å; I172-S174 PolarHBondContact O-N 3.41Å | ||
| 173 | P | 54.7 | Low | 73.7 | Confident | 75 Ų | 75 | 94.6 Ų | 94.6 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | trans | -49.4 | 120.2 | -178.2 | -26.2 | 31.5 | 0 | 0 | 0 | 109.5 | K171 S175 | K171-P173 WeakPolarHBondContact O-CD 3.46Å; K171-P173 VanDerWaalsContact O-N 3.16Å; P173-S175 PolarHBondContact O-N 3.37Å; P173-S175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | S | 56.8 | Low | 74.2 | Confident | 110 Ų | 110 | 91.4 Ų | 91.4 | 77% | 0.769 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -66.2 | -16.8 | -177.2 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | I172 Q267 | I172-S174 PolarHBondContact O-N 3.41Å; S174-Q267 PolarHBondContact O-NE2 2.65Å |
| 175 | S | 70.1 | Confident | 74.8 | Confident | 79 Ų | 79 | 88.1 Ų | 88.1 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -100 | 131.7 | 174 | 49 | 0 | 0 | 0 | 0 | 110.8 | P173 G177 | P173-S175 PolarHBondContact O-N 3.37Å; P173-S175 VanDerWaalsContact O-N 3.16Å; S175-G177 PolarHBondContact O-N 2.83Å |
| 176 | F | 83.8 | Confident | 75.6 | Confident | 19 Ų | 19 | 88.9 Ų | 88.9 | 8% | 0.083 | 48% | 0.484 | C | S | . | . | trans | -68.7 | 126.7 | 170.2 | -173.3 | -86.6 | 0 | 0 | 0 | 109.3 | F181 M251 R265 F266 | F176-F181 HydrophobicContact CE1-CE2 4.42Å; F176-F181 HydrophobicContact CE2-CZ 4.25Å; F176-F181 HydrophobicContact CZ-CE2 4.05Å; F176-F181 AromaticContact CZ-CZ 3.76Å; F176-F181 HydrophobicContact CZ-CZ 3.76Å; F176-M251 HydrophobicContact CE1-CE 3.77Å; F176-M251 HydrophobicContact CE1-SD 3.7Å; F176-M251 HydrophobicContact CZ-CE 3.69Å; F176-M251 HydrophobicContact CZ-SD 4.07Å; F176-R265 WeakPolarHBondContact CB-O 3.31Å; F176-R265 HydrophobicContact CD1-CB 4.02Å; F176-R265 HydrophobicContact CD2-CB 4.35Å; F176-R265 HydrophobicContact CE1-CB 4.25Å; F176-R265 HydrophobicContact CG-CB 4.1Å; F176-F266 AromaticContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD2 4.01Å; F176-F266 AromaticContact CD1-CE1 3.71Å; F176-F266 HydrophobicContact CD1-CE1 3.71Å; F176-F266 AromaticContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CG 4.1Å; F176-F266 AromaticContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CE1-CD2 4.31Å; F176-F266 HydrophobicContact CE1-CE1 4.13Å; F176-F266 AromaticContact CE1-CE2 3.68Å; F176-F266 HydrophobicContact CE1-CE2 3.68Å; F176-F266 AromaticContact CE1-CZ 3.59Å; F176-F266 HydrophobicContact CE1-CZ 3.59Å; F176-F266 WeakPolarHBondContact O-CD1 3.25Å | ||
| 177 | G | 88.1 | Confident | 76.3 | Confident | 6 Ų | 6 | 87.9 Ų | 87.9 | 6% | 0.062 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -170 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S175 Q179 R180 D244 | S175-G177 PolarHBondContact O-N 2.83Å; G177-Q179 PolarHBondContact O-N 3.21Å; G177-Q179 VanDerWaalsContact O-N 3.15Å; G177-R180 VanDerWaalsContact O-CB 3.27Å; G177-R180 WeakPolarHBondContact O-CB 3.27Å; G177-R180 PolarHBondContact O-N 2.83Å; G177-D244 VanDerWaalsContact CA-OD1 3.23Å; G177-D244 WeakPolarHBondContact CA-OD1 3.33Å |
| 178 | L | 89.6 | Confident | 77.4 | Confident | 3 Ų | 3 | 84.6 Ų | 84.6 | 2% | 0.016 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -57.8 | -33 | -173.7 | -175.4 | 69.1 | 0 | 0 | 0 | 112.8 | R180 F181 I188 Y197 F200 L201 I243 D244 L247 | L178-R180 PolarHBondContact O-N 3.28Å; L178-F181 PolarHBondContact O-N 3Å; L178-I188 HydrophobicContact CD1-CD1 3.78Å; L178-Y197 HydrophobicContact CD1-CE2 3.93Å; L178-Y197 HydrophobicContact CD2-CE2 4.24Å; L178-Y197 HydrophobicContact CG-CE2 3.73Å; L178-F200 HydrophobicContact CD1-CD1 3.89Å; L178-F200 HydrophobicContact CD1-CE1 3.73Å; L178-F200 HydrophobicContact CD1-CZ 4.33Å; L178-F200 HydrophobicContact CD2-CD1 3.91Å; L178-F200 HydrophobicContact CD2-CE1 3.69Å; L178-F200 HydrophobicContact CG-CE1 4.35Å; L178-L201 HydrophobicContact CD2-CD2 3.82Å; L178-I243 HydrophobicContact CD2-CD1 3.4Å; L178-I243 HydrophobicContact CD2-CG1 3.8Å; L178-D244 PolarHBondContact N-OD1 2.95Å; L178-L247 HydrophobicContact CB-CD2 4.06Å; L178-L247 HydrophobicContact CD1-CD1 4.23Å; L178-L247 HydrophobicContact CD1-CD2 4.33Å |
| 179 | Q | 86.4 | Confident | 78.9 | Confident | 134 Ų | 134 | 83.2 Ų | 83.2 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -54.9 | -27.1 | 178.1 | -67.1 | -62.8 | -25.2 | 0 | 0 | 113.1 | G177 F181 V182 | G177-Q179 PolarHBondContact O-N 3.21Å; G177-Q179 VanDerWaalsContact O-N 3.15Å; Q179-F181 PolarHBondContact O-N 3.43Å; Q179-V182 WeakPolarHBondContact O-CB 3.26Å; Q179-V182 VanDerWaalsContact O-CG2 3.26Å; Q179-V182 WeakPolarHBondContact O-CG2 3.5Å; Q179-V182 PolarHBondContact O-N 2.9Å |
| 180 | R | 86.1 | Confident | 80.6 | Confident | 167 Ų | 167 | 81.4 Ų | 81.4 | 63% | 0.63 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -64.3 | -25.4 | 177.8 | -175.4 | 172.1 | -179.9 | 149.6 | 1.8 | 113.5 | G177 L178 | G177-R180 VanDerWaalsContact O-CB 3.27Å; G177-R180 WeakPolarHBondContact O-CB 3.27Å; G177-R180 PolarHBondContact O-N 2.83Å; L178-R180 PolarHBondContact O-N 3.28Å |
| 181 | F | 87.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 76.2 Ų | 76.2 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -102.5 | 8.7 | -175.2 | -55.6 | -62.7 | 0 | 0 | 0 | 112.5 | F176 L178 Q179 G183 S184 D187 I188 Y191 Y197 L247 | F176-F181 HydrophobicContact CE1-CE2 4.42Å; F176-F181 HydrophobicContact CE2-CZ 4.25Å; F176-F181 HydrophobicContact CZ-CE2 4.05Å; F176-F181 AromaticContact CZ-CZ 3.76Å; F176-F181 HydrophobicContact CZ-CZ 3.76Å; L178-F181 PolarHBondContact O-N 3Å; Q179-F181 PolarHBondContact O-N 3.43Å; F181-G183 PolarHBondContact O-N 3.38Å; F181-S184 PolarHBondContact O-N 3.4Å; F181-D187 HydrophobicContact CD1-CB 3.54Å; F181-D187 HydrophobicContact CE1-CB 4.06Å; F181-D187 HydrophobicContact CG-CB 4.42Å; F181-I188 HydrophobicContact CB-CD1 3.5Å; F181-I188 VanDerWaalsContact CB-CD1 3.5Å; F181-I188 HydrophobicContact CB-CG1 3.88Å; F181-I188 HydrophobicContact CD2-CD1 4.45Å; F181-I188 HydrophobicContact CG-CD1 4.24Å; F181-Y191 HydrophobicContact CD1-CD2 4.3Å; F181-Y191 AromaticContact CE1-CD2 3.55Å; F181-Y191 HydrophobicContact CE1-CD2 3.55Å; F181-Y191 AromaticContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE1-CE2 3.5Å; F181-Y191 VanDerWaalsContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE2-CD2 4.27Å; F181-Y191 AromaticContact CZ-CD2 3.52Å; F181-Y191 HydrophobicContact CZ-CD2 3.52Å; F181-Y191 AromaticContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CG 4.35Å; F181-Y197 WeakPolarHBondContact O-CD2 3.29Å; F181-L247 HydrophobicContact CD2-CD1 4.47Å; F181-L247 HydrophobicContact CD2-CD2 4.23Å; F181-L247 HydrophobicContact CE2-CD1 4.4Å; F181-L247 HydrophobicContact CE2-CD2 4.04Å |
| 182 | V | 83.6 | Confident | 84.2 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 122.7 | 173 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | Q179 Y197 | Q179-V182 WeakPolarHBondContact O-CB 3.26Å; Q179-V182 VanDerWaalsContact O-CG2 3.26Å; Q179-V182 WeakPolarHBondContact O-CG2 3.5Å; Q179-V182 PolarHBondContact O-N 2.9Å; V182-Y197 HydrophobicContact CB-CE2 4.43Å; V182-Y197 HydrophobicContact CG2-CE1 4.16Å; V182-Y197 HydrophobicContact CG2-CE2 3.74Å; V182-Y197 WeakPolarHBondContact CG2-OH 3.29Å |
| 183 | G | 80.4 | Confident | 86.1 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 81% | 0.814 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F181 | F181-G183 PolarHBondContact O-N 3.38Š|
| 184 | S | 91.2 | Very high | 88 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | trans | -123.8 | 92.5 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | F181 D186 D187 I188 | F181-S184 PolarHBondContact O-N 3.4Å; S184-D186 PolarHBondContact O-N 3.47Å; S184-D187 VanDerWaalsContact CB-OD2 3.27Å; S184-D187 WeakPolarHBondContact CB-OD2 3.35Å; S184-D187 PolarHBondContact O-N 3.09Å; S184-D187 WeakPolarHBondContact OG-CB 3.33Å; S184-D187 PolarHBondContact OG-N 3.1Å; S184-D187 PolarHBondContact OG-OD2 3.36Å; S184-I188 PolarHBondContact O-N 3.36Å | ||
| 185 | D | 92.8 | Very high | 89.8 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -30.8 | 176 | -77.5 | -19.1 | 0 | 0 | 0 | 111.7 | I188 R189 S196 Y197 | D185-I188 PolarHBondContact O-N 2.91Å; D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.26Å; D185-R189 PolarHBondContact O-N 2.75Å; D185-S196 VanDerWaalsContact CG-CB 3.47Å; D185-S196 VanDerWaalsContact OD1-CA 3.26Å; D185-S196 WeakPolarHBondContact OD1-CA 3.47Å; D185-S196 VanDerWaalsContact OD1-CB 3.28Å; D185-S196 WeakPolarHBondContact OD1-CB 3.46Å; D185-S196 WeakPolarHBondContact OD2-CB 3.4Å; D185-Y197 PolarHBondContact OD1-N 2.92Å |
| 186 | D | 93.8 | Very high | 90.9 | Very high | 129 Ų | 129 | 54.7 Ų | 54.7 | 69% | 0.69 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 176.1 | -73 | -23.9 | 0 | 0 | 0 | 112 | S184 R189 F190 | S184-D186 PolarHBondContact O-N 3.47Å; D186-R189 PolarHBondContact O-N 2.86Å; D186-F190 WeakPolarHBondContact O-CB 3.48Å; D186-F190 PolarHBondContact O-N 3.49Å |
| 187 | D | 93 | Very high | 91.2 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 177.2 | -71.1 | -45.4 | 0 | 0 | 0 | 111.4 | F181 S184 R189 F190 Y191 | F181-D187 HydrophobicContact CD1-CB 3.54Å; F181-D187 HydrophobicContact CE1-CB 4.06Å; F181-D187 HydrophobicContact CG-CB 4.42Å; S184-D187 VanDerWaalsContact CB-OD2 3.27Å; S184-D187 WeakPolarHBondContact CB-OD2 3.35Å; S184-D187 PolarHBondContact O-N 3.09Å; S184-D187 WeakPolarHBondContact OG-CB 3.33Å; S184-D187 PolarHBondContact OG-N 3.1Å; S184-D187 PolarHBondContact OG-OD2 3.36Å; D187-R189 VanDerWaalsContact C-N 3.34Å; D187-R189 PolarHBondContact O-N 3.01Å; D187-F190 PolarHBondContact O-N 3.06Å; D187-Y191 HydrophobicContact CB-CD2 4.44Å; D187-Y191 WeakPolarHBondContact O-CB 3.47Å; D187-Y191 VanDerWaalsContact O-CD2 3.25Å; D187-Y191 WeakPolarHBondContact O-CD2 3.43Å; D187-Y191 PolarHBondContact O-N 2.97Å |
| 188 | I | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.9 | -72 | -66 | 0 | 0 | 0 | 110.8 | L178 F181 S184 D185 F190 Y191 T192 F194 Y197 F200 | L178-I188 HydrophobicContact CD1-CD1 3.78Å; F181-I188 HydrophobicContact CB-CD1 3.5Å; F181-I188 VanDerWaalsContact CB-CD1 3.5Å; F181-I188 HydrophobicContact CB-CG1 3.88Å; F181-I188 HydrophobicContact CD2-CD1 4.45Å; F181-I188 HydrophobicContact CG-CD1 4.24Å; S184-I188 PolarHBondContact O-N 3.36Å; D185-I188 PolarHBondContact O-N 2.91Å; I188-F190 VanDerWaalsContact C-N 3.32Å; I188-F190 PolarHBondContact O-N 2.99Å; I188-Y191 PolarHBondContact O-N 2.91Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.41Å; I188-T192 WeakPolarHBondContact O-CA 3.41Å; I188-T192 WeakPolarHBondContact O-CB 3.38Å; I188-T192 PolarHBondContact O-N 3.16Å; I188-T192 PolarHBondContact O-OG1 3.19Å; I188-F194 HydrophobicContact CG2-CB 4.19Å; I188-Y197 HydrophobicContact CD1-CD2 3.62Å; I188-Y197 HydrophobicContact CD1-CE2 4.2Å; I188-Y197 HydrophobicContact CG1-CD2 3.65Å; I188-Y197 HydrophobicContact CG1-CG 4.28Å; I188-F200 HydrophobicContact CG2-CB 4.28Å |
| 189 | R | 94.8 | Very high | 91.6 | Very high | 105 Ų | 105 | 65.3 Ų | 65.3 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.3 | -176.1 | 178.5 | 176 | 161.2 | 6.6 | 111.4 | D185 D186 D187 R193 F194 E195 | D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.26Å; D185-R189 PolarHBondContact O-N 2.75Å; D186-R189 PolarHBondContact O-N 2.86Å; D187-R189 VanDerWaalsContact C-N 3.34Å; D187-R189 PolarHBondContact O-N 3.01Å; R189-R193 WeakPolarHBondContact O-CA 3.39Å; R189-R193 PolarHBondContact O-N 2.79Å; R189-R193 PolarHBondContact O-NE 3.32Å; R189-R193 VanDerWaalsContact O-NE 3.13Å; R189-F194 WeakPolarHBondContact CA-O 3.37Å; R189-F194 WeakPolarHBondContact CB-O 3.44Å; R189-F194 PolarHBondContact N-O 3.23Å; R189-E195 IonicContact CZ-OE1 2.63Å; R189-E195 IonicContact CZ-OE2 3.2Å; R189-E195 VanDerWaalsContact CZ-OE2 3.29Å; R189-E195 IonicContact NE-OE2 3.76Å; R189-E195 IonicContact NH1-OE1 3.99Å; R189-E195 PolarHBondContact NH1-OE1 3.04Å; R189-E195 IonicContact NH1-OE2 2.97Å; R189-E195 PolarHBondContact NH1-OE2 2.92Å; R189-E195 IonicContact NH2-OE2 3.92Å |
| 190 | F | 94.8 | Very high | 92 | Very high | 99 Ų | 99 | 58.9 Ų | 58.9 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -51.3 | 176.1 | 179.1 | -95.2 | 0 | 0 | 0 | 111.7 | D186 D187 I188 R193 A255 | D186-F190 WeakPolarHBondContact O-CB 3.48Å; D186-F190 PolarHBondContact O-N 3.49Å; D187-F190 PolarHBondContact O-N 3.06Å; I188-F190 VanDerWaalsContact C-N 3.32Å; I188-F190 PolarHBondContact O-N 2.99Å; F190-R193 PolarHBondContact O-NH2 3.34Å; F190-A255 HydrophobicContact CE1-CB 4.02Å; F190-A255 HydrophobicContact CZ-CB 4.37Å |
| 191 | Y | 95.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.1 | -17.9 | -172.9 | -75.7 | -58.6 | 0 | 0 | 0 | 114.9 | F181 D187 I188 Q250 M251 A254 A255 L257 | F181-Y191 HydrophobicContact CD1-CD2 4.3Å; F181-Y191 AromaticContact CE1-CD2 3.55Å; F181-Y191 HydrophobicContact CE1-CD2 3.55Å; F181-Y191 AromaticContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE1-CE2 3.5Å; F181-Y191 VanDerWaalsContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE2-CD2 4.27Å; F181-Y191 AromaticContact CZ-CD2 3.52Å; F181-Y191 HydrophobicContact CZ-CD2 3.52Å; F181-Y191 AromaticContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CG 4.35Å; D187-Y191 HydrophobicContact CB-CD2 4.44Å; D187-Y191 WeakPolarHBondContact O-CB 3.47Å; D187-Y191 VanDerWaalsContact O-CD2 3.25Å; D187-Y191 WeakPolarHBondContact O-CD2 3.43Å; D187-Y191 PolarHBondContact O-N 2.97Å; I188-Y191 PolarHBondContact O-N 2.91Å; Y191-Q250 CarbonylContact O-C 3.45Å; Y191-M251 HydrophobicContact CD1-CE 3.77Å; Y191-M251 HydrophobicContact CD1-CG 3.76Å; Y191-M251 HydrophobicContact CD1-SD 4.29Å; Y191-M251 HydrophobicContact CE1-CE 3.83Å; Y191-M251 HydrophobicContact CG-CE 4.47Å; Y191-M251 HydrophobicContact CG-CG 4.06Å; Y191-M251 VanDerWaalsContact O-CA 3.31Å; Y191-M251 WeakPolarHBondContact O-CA 3.23Å; Y191-M251 PolarHBondContact O-N 2.91Å; Y191-A254 WeakPolarHBondContact O-CB 3.47Å; Y191-A255 HydrophobicContact CD1-CB 4.12Å; Y191-L257 HydrophobicContact CE1-CD1 4.22Å |
| 192 | T | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -133.4 | -9.4 | -171.7 | 77.1 | 0 | 0 | 0 | 0 | 115.4 | I188 F194 F200 L247 Q250 Q476 | I188-T192 WeakPolarHBondContact CG2-OG1 3.41Å; I188-T192 WeakPolarHBondContact O-CA 3.41Å; I188-T192 WeakPolarHBondContact O-CB 3.38Å; I188-T192 PolarHBondContact O-N 3.16Å; I188-T192 PolarHBondContact O-OG1 3.19Å; T192-F194 WeakPolarHBondContact O-CD2 3.28Å; T192-F194 PolarHBondContact O-N 2.82Å; T192-F194 VanDerWaalsContact O-N 3.13Å; T192-F194 PolarHBondContact OG1-N 2.97Å; T192-F200 HydrophobicContact CG2-CD2 3.82Å; T192-F200 HydrophobicContact CG2-CE2 3.72Å; T192-L247 HydrophobicContact CG2-CD1 3.68Å; T192-Q250 HydrophobicContact CG2-CB 4.02Å; T192-Q250 PolarHBondContact O-NE2 2.91Å; T192-Q476 PolarHBondContact O-NE2 3.28Å; T192-Q476 VanDerWaalsContact O-NE2 3.12Å |
| 193 | R | 95 | Very high | 93.3 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 13% | 0.125 | 27% | 0.272 | C | S | . | . | trans | 62.4 | -3.1 | -169.3 | -59.6 | -64.1 | 101.9 | 149.5 | 10.7 | 115.5 | R189 F190 A254 E446 Q476 | R189-R193 WeakPolarHBondContact O-CA 3.39Å; R189-R193 PolarHBondContact O-N 2.79Å; R189-R193 PolarHBondContact O-NE 3.32Å; R189-R193 VanDerWaalsContact O-NE 3.13Å; F190-R193 PolarHBondContact O-NH2 3.34Å; R193-A254 HydrophobicContact CG-CB 3.72Å; R193-E446 PolarHBondContact NH1-O 2.65Å; R193-Q476 HydrophobicContact CB-CG 4.22Å; R193-Q476 WeakPolarHBondContact O-CB 3.43Å | ||
| 194 | F | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -69.9 | 133.6 | 171.1 | -74.9 | -95.8 | 0 | 0 | 0 | 110.2 | I188 R189 T192 S196 L199 F200 F203 L472 Y475 Q476 | I188-F194 HydrophobicContact CG2-CB 4.19Å; R189-F194 WeakPolarHBondContact CA-O 3.37Å; R189-F194 WeakPolarHBondContact CB-O 3.44Å; R189-F194 PolarHBondContact N-O 3.23Å; T192-F194 WeakPolarHBondContact O-CD2 3.28Å; T192-F194 PolarHBondContact O-N 2.82Å; T192-F194 VanDerWaalsContact O-N 3.13Å; T192-F194 PolarHBondContact OG1-N 2.97Å; F194-S196 PolarHBondContact O-N 3.17Å; F194-S196 VanDerWaalsContact O-N 3.1Å; F194-L199 HydrophobicContact CD1-CB 4.05Å; F194-F200 HydrophobicContact CB-CB 4.09Å; F194-F200 HydrophobicContact CD1-CB 4.46Å; F194-F200 HydrophobicContact CD2-CB 4.39Å; F194-F200 AromaticContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CE2 4.47Å; F194-F200 HydrophobicContact CD2-CG 4.48Å; F194-F200 AromaticContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CG-CB 4.06Å; F194-F200 HydrophobicContact CG-CD2 4.17Å; F194-F203 HydrophobicContact CE1-CB 3.62Å; F194-F203 HydrophobicContact CE1-CD1 4.38Å; F194-F203 AromaticContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE2-CD1 4.39Å; F194-F203 HydrophobicContact CZ-CB 3.78Å; F194-F203 AromaticContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD2 4.32Å; F194-F203 HydrophobicContact CZ-CE1 4.31Å; F194-F203 AromaticContact CZ-CG 3.65Å; F194-F203 HydrophobicContact CZ-CG 3.65Å; F194-L472 HydrophobicContact CZ-CD2 4.5Å; F194-Y475 WeakPolarHBondContact CD1-O 2.99Å; F194-Y475 WeakPolarHBondContact CE1-O 3.41Å; F194-Q476 CarbonylContact C-O 3.54Å; F194-Q476 WeakPolarHBondContact CA-O 3.32Å; F194-Q476 HydrophobicContact CD1-CG 4.18Å; F194-Q476 HydrophobicContact CD2-CG 3.79Å; F194-Q476 HydrophobicContact CE1-CG 4.13Å; F194-Q476 HydrophobicContact CE2-CG 3.74Å; F194-Q476 HydrophobicContact CG-CG 4.02Å; F194-Q476 HydrophobicContact CZ-CG 3.91Å | ||
| 195 | E | 93.3 | Very high | 94.1 | Very high | 53 Ų | 53 | 56.8 Ų | 56.8 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -61.7 | -22.2 | -176.1 | -171.4 | 66.7 | -161.9 | 0 | 0 | 113 | R189 L199 Q476 | R189-E195 IonicContact CZ-OE1 2.63Å; R189-E195 IonicContact CZ-OE2 3.2Å; R189-E195 VanDerWaalsContact CZ-OE2 3.29Å; R189-E195 IonicContact NE-OE2 3.76Å; R189-E195 IonicContact NH1-OE1 3.99Å; R189-E195 PolarHBondContact NH1-OE1 3.04Å; R189-E195 IonicContact NH1-OE2 2.97Å; R189-E195 PolarHBondContact NH1-OE2 2.92Å; R189-E195 IonicContact NH2-OE2 3.92Å; E195-L199 HydrophobicContact CB-CD1 3.89Å; E195-Q476 PolarHBondContact N-O 3.4Å |
| 196 | S | 93.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -153.6 | 159.1 | 177.4 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | D185 F194 R198 L199 F200 | D185-S196 VanDerWaalsContact CG-CB 3.47Å; D185-S196 VanDerWaalsContact OD1-CA 3.26Å; D185-S196 WeakPolarHBondContact OD1-CA 3.47Å; D185-S196 VanDerWaalsContact OD1-CB 3.28Å; D185-S196 WeakPolarHBondContact OD1-CB 3.46Å; D185-S196 WeakPolarHBondContact OD2-CB 3.4Å; F194-S196 PolarHBondContact O-N 3.17Å; F194-S196 VanDerWaalsContact O-N 3.1Å; S196-R198 PolarHBondContact O-N 3.24Å; S196-L199 PolarHBondContact O-N 3.11Å; S196-L199 VanDerWaalsContact O-N 3.12Å; S196-L199 WeakPolarHBondContact OG-CG 3.2Å; S196-L199 PolarHBondContact OG-N 3.3Å; S196-F200 PolarHBondContact O-N 3.1Å |
| 197 | Y | 91.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.5 | -39.6 | 171.4 | -170.4 | -89.4 | 0 | 0 | 0 | 111.5 | L178 F181 V182 D185 I188 F200 L201 | L178-Y197 HydrophobicContact CD1-CE2 3.93Å; L178-Y197 HydrophobicContact CD2-CE2 4.24Å; L178-Y197 HydrophobicContact CG-CE2 3.73Å; F181-Y197 WeakPolarHBondContact O-CD2 3.29Å; V182-Y197 HydrophobicContact CB-CE2 4.43Å; V182-Y197 HydrophobicContact CG2-CE1 4.16Å; V182-Y197 HydrophobicContact CG2-CE2 3.74Å; V182-Y197 WeakPolarHBondContact CG2-OH 3.29Å; D185-Y197 PolarHBondContact OD1-N 2.92Å; I188-Y197 HydrophobicContact CD1-CD2 3.62Å; I188-Y197 HydrophobicContact CD1-CE2 4.2Å; I188-Y197 HydrophobicContact CG1-CD2 3.65Å; I188-Y197 HydrophobicContact CG1-CG 4.28Å; Y197-F200 PolarHBondContact O-N 2.87Å; Y197-L201 HydrophobicContact CD1-CD1 3.84Å; Y197-L201 HydrophobicContact CD1-CG 4.08Å; Y197-L201 HydrophobicContact CE1-CD1 3.34Å; Y197-L201 HydrophobicContact CE1-CD2 4.33Å; Y197-L201 HydrophobicContact CE1-CG 3.73Å; Y197-L201 PolarHBondContact O-N 3.41Å |
| 198 | R | 92.1 | Very high | 94.1 | Very high | 175 Ų | 175 | 53.6 Ų | 53.6 | 66% | 0.66 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.8 | -45 | 178.7 | -170 | -179.8 | 74.8 | 105.7 | -0.3 | 112.3 | S196 F200 L201 M202 | S196-R198 PolarHBondContact O-N 3.24Å; R198-F200 VanDerWaalsContact C-N 3.35Å; R198-L201 PolarHBondContact O-N 3.13Å; R198-M202 VanDerWaalsContact O-CG 3.31Å; R198-M202 WeakPolarHBondContact O-CG 3.39Å; R198-M202 PolarHBondContact O-N 2.96Å |
| 199 | L | 93 | Very high | 93.8 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 179.3 | -73.5 | 175.7 | 0 | 0 | 0 | 111.7 | F194 E195 S196 L201 M202 F203 | F194-L199 HydrophobicContact CD1-CB 4.05Å; E195-L199 HydrophobicContact CB-CD1 3.89Å; S196-L199 PolarHBondContact O-N 3.11Å; S196-L199 VanDerWaalsContact O-N 3.12Å; S196-L199 WeakPolarHBondContact OG-CG 3.2Å; S196-L199 PolarHBondContact OG-N 3.3Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.85Å; L199-M202 PolarHBondContact O-N 2.92Å; L199-F203 PolarHBondContact O-N 3.12Å |
| 200 | F | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 173.1 | -176.5 | -85.1 | 0 | 0 | 0 | 111.4 | L178 I188 T192 F194 S196 Y197 R198 M202 F203 W204 I243 L246 L247 Q250 | L178-F200 HydrophobicContact CD1-CD1 3.89Å; L178-F200 HydrophobicContact CD1-CE1 3.73Å; L178-F200 HydrophobicContact CD1-CZ 4.33Å; L178-F200 HydrophobicContact CD2-CD1 3.91Å; L178-F200 HydrophobicContact CD2-CE1 3.69Å; L178-F200 HydrophobicContact CG-CE1 4.35Å; I188-F200 HydrophobicContact CG2-CB 4.28Å; T192-F200 HydrophobicContact CG2-CD2 3.82Å; T192-F200 HydrophobicContact CG2-CE2 3.72Å; F194-F200 HydrophobicContact CB-CB 4.09Å; F194-F200 HydrophobicContact CD1-CB 4.46Å; F194-F200 HydrophobicContact CD2-CB 4.39Å; F194-F200 AromaticContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CE2 4.47Å; F194-F200 HydrophobicContact CD2-CG 4.48Å; F194-F200 AromaticContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CG-CB 4.06Å; F194-F200 HydrophobicContact CG-CD2 4.17Å; S196-F200 PolarHBondContact O-N 3.1Å; Y197-F200 PolarHBondContact O-N 2.87Å; R198-F200 VanDerWaalsContact C-N 3.35Å; F200-M202 PolarHBondContact O-N 2.81Å; F200-F203 PolarHBondContact O-N 3.28Å; F200-W204 PolarHBondContact O-N 3.34Å; F200-I243 HydrophobicContact CE1-CG1 4.15Å; F200-L246 HydrophobicContact CE1-CD2 4.41Å; F200-L246 HydrophobicContact CE2-CD2 4.34Å; F200-L246 HydrophobicContact CE2-CG 4.4Å; F200-L246 HydrophobicContact CZ-CD2 3.83Å; F200-L246 HydrophobicContact CZ-CG 3.98Å; F200-L247 HydrophobicContact CZ-CB 4.45Å; F200-Q250 HydrophobicContact CE2-CG 4.08Å |
| 201 | L | 93.9 | Very high | 93.2 | Very high | 40 Ų | 40 | 49.7 Ų | 49.7 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -35.6 | 176.5 | -75.4 | -172 | 0 | 0 | 0 | 113.6 | L178 Y197 R198 L199 F203 W204 R205 I243 | L178-L201 HydrophobicContact CD2-CD2 3.82Å; Y197-L201 HydrophobicContact CD1-CD1 3.84Å; Y197-L201 HydrophobicContact CD1-CG 4.08Å; Y197-L201 HydrophobicContact CE1-CD1 3.34Å; Y197-L201 HydrophobicContact CE1-CD2 4.33Å; Y197-L201 HydrophobicContact CE1-CG 3.73Å; Y197-L201 PolarHBondContact O-N 3.41Å; R198-L201 PolarHBondContact O-N 3.13Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.85Å; L201-F203 VanDerWaalsContact C-N 3.35Å; L201-W204 WeakPolarHBondContact O-CB 3.5Å; L201-W204 PolarHBondContact O-N 3.41Å; L201-R205 WeakPolarHBondContact O-CG 3.4Å; L201-R205 PolarHBondContact O-N 3.42Å; L201-I243 HydrophobicContact CD2-CD1 3.81Å |
| 202 | M | 94.2 | Very high | 92.3 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 47% | 0.473 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.2 | -73.6 | -62.8 | -61.3 | 0 | 0 | 111.2 | R198 L199 F200 R205 L206 | R198-M202 VanDerWaalsContact O-CG 3.31Å; R198-M202 WeakPolarHBondContact O-CG 3.39Å; R198-M202 PolarHBondContact O-N 2.96Å; L199-M202 PolarHBondContact O-N 2.92Å; F200-M202 PolarHBondContact O-N 2.81Å; M202-R205 PolarHBondContact O-N 3.49Å; M202-L206 PolarHBondContact O-N 2.98Å |
| 203 | F | 95.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 173.2 | 179.3 | -104.9 | 0 | 0 | 0 | 111.8 | F194 L199 F200 L201 R205 L206 I207 L246 L284 L288 L472 Y475 | F194-F203 HydrophobicContact CE1-CB 3.62Å; F194-F203 HydrophobicContact CE1-CD1 4.38Å; F194-F203 AromaticContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE2-CD1 4.39Å; F194-F203 HydrophobicContact CZ-CB 3.78Å; F194-F203 AromaticContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD2 4.32Å; F194-F203 HydrophobicContact CZ-CE1 4.31Å; F194-F203 AromaticContact CZ-CG 3.65Å; F194-F203 HydrophobicContact CZ-CG 3.65Å; L199-F203 PolarHBondContact O-N 3.12Å; F200-F203 PolarHBondContact O-N 3.28Å; L201-F203 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 3.07Å; F203-L206 WeakPolarHBondContact O-CB 3.05Å; F203-L206 PolarHBondContact O-N 2.86Å; F203-L206 VanDerWaalsContact O-N 3.17Å; F203-I207 HydrophobicContact CD1-CD1 4.21Å; F203-I207 HydrophobicContact CE1-CD1 3.67Å; F203-I207 HydrophobicContact CE1-CG2 4.49Å; F203-I207 HydrophobicContact CE2-CG2 4.09Å; F203-I207 HydrophobicContact CZ-CD1 4.09Å; F203-I207 HydrophobicContact CZ-CG2 4.06Å; F203-I207 PolarHBondContact O-N 2.74Å; F203-L246 HydrophobicContact CD1-CD2 4.32Å; F203-L246 HydrophobicContact CE1-CD2 4.36Å; F203-L284 HydrophobicContact CE1-CD2 4.37Å; F203-L284 HydrophobicContact CZ-CD2 4.02Å; F203-L288 HydrophobicContact CE2-CD2 4.29Å; F203-L472 HydrophobicContact CE1-CD2 3.92Å; F203-L472 HydrophobicContact CE2-CD2 4.01Å; F203-L472 HydrophobicContact CZ-CD2 3.5Å; F203-L472 VanDerWaalsContact CZ-CD2 3.5Å; F203-Y475 AromaticContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD2 4.32Å; F203-Y475 HydrophobicContact CD2-CE1 4.34Å; F203-Y475 AromaticContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CE2-CD1 4.24Å; F203-Y475 HydrophobicContact CE2-CD2 4.1Å; F203-Y475 HydrophobicContact CE2-CE2 4.41Å; F203-Y475 HydrophobicContact CE2-CG 4.01Å |
| 204 | W | 95 | Very high | 90.5 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 8% | 0.08 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.9 | -51.1 | 173.9 | 172.4 | -105 | 0 | 0 | 0 | 111.9 | F200 L201 L206 I207 E208 V211 P242 I243 L246 W280 | F200-W204 PolarHBondContact O-N 3.34Å; L201-W204 WeakPolarHBondContact O-CB 3.5Å; L201-W204 PolarHBondContact O-N 3.41Å; W204-L206 PolarHBondContact O-N 2.76Å; W204-I207 HydrophobicContact CE3-CG1 4.41Å; W204-I207 WeakPolarHBondContact O-CG1 3.49Å; W204-I207 PolarHBondContact O-N 2.94Å; W204-I207 VanDerWaalsContact O-N 3.08Å; W204-E208 HydrophobicContact CD2-CB 4.24Å; W204-E208 HydrophobicContact CH2-CB 4.35Å; W204-E208 HydrophobicContact CZ2-CB 3.76Å; W204-E208 HydrophobicContact CZ2-CG 3.66Å; W204-E208 PolarHBondContact NE1-OE1 2.83Å; W204-E208 VanDerWaalsContact O-CB 3.23Å; W204-E208 WeakPolarHBondContact O-CB 3.25Å; W204-E208 PolarHBondContact O-N 3.11Å; W204-V211 HydrophobicContact CH2-CG1 4.45Å; W204-V211 HydrophobicContact CH2-CG2 4.08Å; W204-V211 HydrophobicContact CZ3-CG2 4.16Å; W204-P242 HydrophobicContact CH2-CB 3.56Å; W204-P242 HydrophobicContact CZ2-CB 4.3Å; W204-P242 HydrophobicContact CZ3-CB 4.39Å; W204-I243 HydrophobicContact CB-CD1 4.22Å; W204-I243 HydrophobicContact CB-CG1 4.5Å; W204-I243 HydrophobicContact CD2-CB 3.85Å; W204-I243 HydrophobicContact CD2-CD1 3.82Å; W204-I243 HydrophobicContact CD2-CG1 3.61Å; W204-I243 HydrophobicContact CE3-CB 4Å; W204-I243 HydrophobicContact CE3-CG1 3.87Å; W204-I243 HydrophobicContact CG-CD1 3.57Å; W204-I243 HydrophobicContact CG-CG1 3.86Å; W204-I243 HydrophobicContact CH2-CB 4.15Å; W204-I243 HydrophobicContact CZ2-CB 3.94Å; W204-I243 HydrophobicContact CZ3-CB 4.12Å; W204-I243 HydrophobicContact CZ3-CG1 4.46Å; W204-L246 HydrophobicContact CE3-CD2 3.75Å; W204-L246 HydrophobicContact CZ3-CB 4.4Å; W204-L246 HydrophobicContact CZ3-CD2 4.32Å; W204-W280 AromaticContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CZ2 4.44Å |
| 205 | R | 94.6 | Very high | 89 | Confident | 159 Ų | 159 | 68 Ų | 68 | 60% | 0.6 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.3 | -31.2 | 180 | -72.5 | 171.7 | -178.5 | 175.4 | -0.2 | 113.4 | L201 M202 F203 P209 | L201-R205 WeakPolarHBondContact O-CG 3.4Å; L201-R205 PolarHBondContact O-N 3.42Å; M202-R205 PolarHBondContact O-N 3.49Å; F203-R205 PolarHBondContact O-N 3.07Å; R205-P209 WeakPolarHBondContact O-CD 3.08Å |
| 206 | L | 92.8 | Very high | 87.8 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 176.9 | -179.4 | 65.3 | 0 | 0 | 0 | 111.4 | M202 F203 W204 Y475 | M202-L206 PolarHBondContact O-N 2.98Å; F203-L206 WeakPolarHBondContact O-CB 3.05Å; F203-L206 PolarHBondContact O-N 2.86Å; F203-L206 VanDerWaalsContact O-N 3.17Å; W204-L206 PolarHBondContact O-N 2.76Å; L206-Y475 HydrophobicContact CD2-CE1 3.84Å |
| 207 | I | 93.1 | Very high | 85.4 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -99 | -28.9 | -170.6 | 73 | 176.4 | 0 | 0 | 0 | 113.1 | F203 W204 P209 S210 V211 L246 W280 Y283 L284 L287 | F203-I207 HydrophobicContact CD1-CD1 4.21Å; F203-I207 HydrophobicContact CE1-CD1 3.67Å; F203-I207 HydrophobicContact CE1-CG2 4.49Å; F203-I207 HydrophobicContact CE2-CG2 4.09Å; F203-I207 HydrophobicContact CZ-CD1 4.09Å; F203-I207 HydrophobicContact CZ-CG2 4.06Å; F203-I207 PolarHBondContact O-N 2.74Å; W204-I207 HydrophobicContact CE3-CG1 4.41Å; W204-I207 WeakPolarHBondContact O-CG1 3.49Å; W204-I207 PolarHBondContact O-N 2.94Å; W204-I207 VanDerWaalsContact O-N 3.08Å; I207-P209 VanDerWaalsContact C-N 3.3Å; I207-P209 VanDerWaalsContact O-N 3.11Å; I207-S210 PolarHBondContact O-N 2.96Å; I207-S210 PolarHBondContact O-OG 3.31Å; I207-V211 HydrophobicContact CG1-CG2 4.31Å; I207-V211 PolarHBondContact O-N 2.91Å; I207-L246 HydrophobicContact CD1-CD2 4.07Å; I207-W280 HydrophobicContact CD1-CZ3 4Å; I207-Y283 HydrophobicContact CD1-CE1 4.33Å; I207-Y283 PolarHBondContact O-OH 3.28Å; I207-Y283 VanDerWaalsContact O-OH 3.07Å; I207-L284 HydrophobicContact CD1-CD2 4.19Å; I207-L287 HydrophobicContact CB-CD2 3.79Å; I207-L287 HydrophobicContact CG2-CD2 3.47Å; I207-L287 VanDerWaalsContact CG2-CD2 3.47Å |
| 208 | E | 92.3 | Very high | 83 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -43.3 | -44.9 | -178.6 | 172.8 | 176.6 | -128.2 | 0 | 0 | 113.8 | W204 S210 V211 | W204-E208 HydrophobicContact CD2-CB 4.24Å; W204-E208 HydrophobicContact CH2-CB 4.35Å; W204-E208 HydrophobicContact CZ2-CB 3.76Å; W204-E208 HydrophobicContact CZ2-CG 3.66Å; W204-E208 PolarHBondContact NE1-OE1 2.83Å; W204-E208 VanDerWaalsContact O-CB 3.23Å; W204-E208 WeakPolarHBondContact O-CB 3.25Å; W204-E208 PolarHBondContact O-N 3.11Å; E208-S210 PolarHBondContact O-N 2.87Å; E208-V211 PolarHBondContact O-N 3.4Å; E208-V211 VanDerWaalsContact O-N 3.14Å |
| 209 | P | 90.1 | Very high | 80.5 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.3 | -11.1 | 178.5 | -22.7 | 34.8 | 0 | 0 | 0 | 114.8 | R205 I207 H212 | R205-P209 WeakPolarHBondContact O-CD 3.08Å; I207-P209 VanDerWaalsContact C-N 3.3Å; I207-P209 VanDerWaalsContact O-N 3.11Å; P209-H212 PolarHBondContact O-CE1 3.14Å; P209-H212 PolarHBondContact O-ND1 3.49Å; P209-H212 VanDerWaalsContact O-ND1 3.1Å |
| 210 | S | 88.4 | Confident | 77.8 | Confident | 26 Ų | 26 | 74.6 Ų | 74.6 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -113.8 | -8.1 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | I207 E208 H212 K213 Y283 | I207-S210 PolarHBondContact O-N 2.96Å; I207-S210 PolarHBondContact O-OG 3.31Å; E208-S210 PolarHBondContact O-N 2.87Å; S210-H212 VanDerWaalsContact C-N 3.27Å; S210-H212 PolarHBondContact O-N 2.91Å; S210-K213 WeakPolarHBondContact O-CB 3.4Å; S210-K213 PolarHBondContact O-N 2.77Å; S210-K213 VanDerWaalsContact O-N 3.09Å; S210-Y283 PolarHBondContact OG-OH 3.15Å |
| 211 | V | 87.4 | Confident | 75 | Confident | 10 Ų | 10 | 79 Ų | 79 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.7 | -31.8 | -179.2 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | W204 I207 E208 K213 M214 P242 W280 Y283 | W204-V211 HydrophobicContact CH2-CG1 4.45Å; W204-V211 HydrophobicContact CH2-CG2 4.08Å; W204-V211 HydrophobicContact CZ3-CG2 4.16Å; I207-V211 HydrophobicContact CG1-CG2 4.31Å; I207-V211 PolarHBondContact O-N 2.91Å; E208-V211 PolarHBondContact O-N 3.4Å; E208-V211 VanDerWaalsContact O-N 3.14Å; V211-K213 PolarHBondContact O-N 2.94Å; V211-K213 VanDerWaalsContact O-N 3.16Å; V211-M214 HydrophobicContact CG1-CE 4.07Å; V211-M214 WeakPolarHBondContact O-CB 3.27Å; V211-M214 PolarHBondContact O-N 2.63Å; V211-M214 VanDerWaalsContact O-N 3.1Å; V211-P242 HydrophobicContact CG1-CB 3.91Å; V211-W280 HydrophobicContact CG1-CH2 3.95Å; V211-W280 HydrophobicContact CG1-CZ2 4.03Å; V211-W280 HydrophobicContact CG2-CH2 3.83Å; V211-W280 HydrophobicContact CG2-CZ3 4.49Å; V211-Y283 HydrophobicContact CG2-CE1 4.04Å; V211-Y283 WeakPolarHBondContact CG2-OH 3.35Å |
| 212 | H | 77 | Confident | 72.4 | Confident | 143 Ų | 143 | 86 Ų | 86 | 66% | 0.662 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.9 | 176.4 | 66.8 | -97.3 | 0 | 0 | 0 | 113.8 | P209 S210 M214 | P209-H212 PolarHBondContact O-CE1 3.14Å; P209-H212 PolarHBondContact O-ND1 3.49Å; P209-H212 VanDerWaalsContact O-ND1 3.1Å; S210-H212 VanDerWaalsContact C-N 3.27Å; S210-H212 PolarHBondContact O-N 2.91Å; H212-M214 VanDerWaalsContact C-N 3.27Å |
| 213 | K | 72.4 | Confident | 69.8 | Low | 153 Ų | 153 | 90.2 Ų | 90.2 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.6 | 177.3 | -56.7 | -179.1 | -179.7 | 176.6 | 0 | 112.8 | S210 V211 I215 | S210-K213 WeakPolarHBondContact O-CB 3.4Å; S210-K213 PolarHBondContact O-N 2.77Å; S210-K213 VanDerWaalsContact O-N 3.09Å; V211-K213 PolarHBondContact O-N 2.94Å; V211-K213 VanDerWaalsContact O-N 3.16Å; K213-I215 PolarHBondContact O-N 2.89Å; K213-I215 VanDerWaalsContact O-N 3.16Å |
| 214 | M | 80.4 | Confident | 66.8 | Low | 18 Ų | 18 | 95.7 Ų | 95.7 | 9% | 0.089 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -65.8 | 111.1 | 178.5 | -168.2 | -172.4 | -77.7 | 0 | 0 | 109 | V211 H212 R216 L279 W280 Y283 | V211-M214 HydrophobicContact CG1-CE 4.07Å; V211-M214 WeakPolarHBondContact O-CB 3.27Å; V211-M214 PolarHBondContact O-N 2.63Å; V211-M214 VanDerWaalsContact O-N 3.1Å; H212-M214 VanDerWaalsContact C-N 3.27Å; M214-R216 PolarHBondContact O-N 3.1Å; M214-L279 HydrophobicContact CG-CD1 3.69Å; M214-L279 HydrophobicContact CG-CD2 3.68Å; M214-L279 HydrophobicContact CG-CG 3.48Å; M214-L279 VanDerWaalsContact CG-CG 3.48Å; M214-L279 HydrophobicContact SD-CB 4.5Å; M214-L279 HydrophobicContact SD-CD1 4.29Å; M214-L279 HydrophobicContact SD-CD2 3.28Å; M214-L279 WeakPolarHBondContact SD-CD2 3.49Å; M214-L279 HydrophobicContact SD-CG 3.39Å; M214-L279 WeakPolarHBondContact SD-CG 3.44Å; M214-W280 HydrophobicContact CE-CD2 3.9Å; M214-W280 HydrophobicContact CE-CE3 4.1Å; M214-W280 HydrophobicContact CE-CG 4.43Å; M214-W280 HydrophobicContact CE-CH2 4Å; M214-W280 HydrophobicContact CE-CZ2 3.84Å; M214-W280 HydrophobicContact CE-CZ3 4.14Å; M214-Y283 HydrophobicContact CE-CD1 3.38Å; M214-Y283 HydrophobicContact CE-CD2 3.96Å; M214-Y283 HydrophobicContact CE-CE1 3.99Å; M214-Y283 HydrophobicContact CE-CG 3.34Å |
| 215 | I | 63 | Low | 64.2 | Low | 140 Ų | 140 | 100 Ų | 100 | 72% | 0.718 | 57% | 0.567 | S | S | * | * | trans | -68.2 | 98.4 | -179.3 | -58.3 | 174.9 | 0 | 0 | 0 | 108.4 | K213 S217 L279 | K213-I215 PolarHBondContact O-N 2.89Å; K213-I215 VanDerWaalsContact O-N 3.16Å; I215-S217 PolarHBondContact O-N 3.5Å; I215-S217 VanDerWaalsContact O-N 3.1Å; I215-L279 WeakPolarHBondContact O-CD1 3.13Å | ||
| 216 | R | 67.9 | Low | 61.3 | Low | 110 Ų | 110 | 101 Ų | 101 | 42% | 0.415 | 58% | 0.579 | S | S | . | * | trans | -78.4 | 92.9 | 171.6 | -70.7 | 172.9 | 174 | -170.5 | -10.5 | 107 | M214 S218 E245 L279 | M214-R216 PolarHBondContact O-N 3.1Å; R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.93Å; R216-E245 IonicContact CZ-OE1 3.37Å; R216-E245 IonicContact NH2-OE1 3.67Å; R216-E245 PolarHBondContact NH2-OE1 3.47Å; R216-E245 IonicContact NH2-OE2 3.15Å; R216-E245 PolarHBondContact NH2-OE2 2.94Å; R216-L279 HydrophobicContact CG-CD2 3.77Å | ||
| 217 | S | 44.6 | Very low | 58.5 | Low | 85 Ų | 85 | 100.3 Ų | 100.3 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | trans | -61.2 | 91.8 | 173 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | I215 G219 R275 | I215-S217 PolarHBondContact O-N 3.5Å; I215-S217 VanDerWaalsContact O-N 3.1Å; S217-G219 PolarHBondContact O-N 3.32Å; S217-R275 PolarHBondContact O-NH1 2.85Å; S217-R275 VanDerWaalsContact O-NH1 3.08Å; S217-R275 PolarHBondContact O-NH2 3.25Å | ||
| 218 | S | 41.1 | Very low | 56.1 | Low | 92 Ų | 92 | 104 Ų | 104 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | trans | -65.1 | 108.5 | 159.4 | 41.7 | 0 | 0 | 0 | 0 | 106 | R216 A220 | R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.93Å; S218-A220 PolarHBondContact O-N 2.97Å | ||
| 219 | G | 38.9 | Very low | 53.1 | Low | 68 Ų | 68 | 105.5 Ų | 105.5 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -59.1 | 132.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S217 | S217-G219 PolarHBondContact O-N 3.32Š|
| 220 | A | 36.3 | Very low | 50.6 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | trans | 77.8 | 79.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S218 | S218-A220 PolarHBondContact O-N 2.97Š| ||
| 221 | A | 37.4 | Very low | 48 | Very low | 93 Ų | 93 | 111 Ų | 111 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | trans | -165 | 68.9 | 146 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 222 | E | 38.1 | Very low | 45.3 | Very low | 186 Ų | 186 | 121.6 Ų | 121.6 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | trans | -139.6 | 124 | 156.7 | -82.4 | -176.3 | 178.9 | 0 | 0 | 102.9 | ||||
| 223 | E | 40.4 | Very low | 43.2 | Very low | 185 Ų | 185 | 119.2 Ų | 119.2 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | cis | -148.4 | 137.6 | 9.6 | -64 | 168.5 | 135.1 | 0 | 0 | 107.2 | ||||
| 224 | S | 32.7 | Very low | 41.2 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -163.2 | 99.1 | 143.7 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | E226 | S224-E226 PolarHBondContact O-N 3.38Š| ||
| 225 | S | 38.5 | Very low | 39.1 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -61.8 | 117.2 | 156.7 | 157.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 226 | E | 35.1 | Very low | 37.9 | Very low | 180 Ų | 180 | 123.3 Ų | 123.3 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | 177.7 | 139.4 | 121.5 | -96.1 | 175.7 | -172.6 | 0 | 0 | 112.9 | S224 | S224-E226 PolarHBondContact O-N 3.38Š| |||
| 227 | A | 34.3 | Very low | 36.8 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 62.9 | 93.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 228 | G | 41.6 | Very low | 37.2 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | 41.5 | 88.6 | 127.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 229 | T | 29.6 | Very low | 38.8 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -151.2 | 125.4 | 136.8 | -51.1 | 0 | 0 | 0 | 0 | 107.6 | V231 | T229-V231 VanDerWaalsContact C-N 3.26Å; T229-V231 PolarHBondContact O-N 3.45Å | ||
| 230 | A | 38.3 | Very low | 41.1 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | -64.9 | 87 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R232 | A230-R232 PolarHBondContact O-N 3.27Š| ||
| 231 | V | 32.2 | Very low | 43.6 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -70.6 | 101.1 | 165.3 | 179.3 | 0 | 0 | 0 | 0 | 105.7 | T229 S233 | T229-V231 VanDerWaalsContact C-N 3.26Å; T229-V231 PolarHBondContact O-N 3.45Å; V231-S233 PolarHBondContact O-N 2.86Å | ||
| 232 | R | 32.1 | Very low | 46.3 | Very low | 231 Ų | 231 | 125.8 Ų | 125.8 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -45.4 | 114.3 | 165.6 | -87.2 | 174.5 | 162.4 | 169.3 | -5.5 | 107.9 | A230 T234 | A230-R232 PolarHBondContact O-N 3.27Å; R232-T234 PolarHBondContact O-N 3Å | ||
| 233 | S | 32.4 | Very low | 48.9 | Very low | 94 Ų | 94 | 118.5 Ų | 118.5 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | trans | -44.3 | 103.8 | 165.7 | 168 | 0 | 0 | 0 | 0 | 108.8 | V231 H235 | V231-S233 PolarHBondContact O-N 2.86Å; S233-H235 VanDerWaalsContact C-N 3.31Å; S233-H235 PolarHBondContact O-N 2.82Å | ||
| 234 | T | 30 | Very low | 51.5 | Low | 120 Ų | 120 | 110.8 Ų | 110.8 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | trans | -69.2 | 97.9 | 162.6 | 46 | 0 | 0 | 0 | 0 | 105.5 | R232 T236 | R232-T234 PolarHBondContact O-N 3Å; T234-T236 PolarHBondContact O-N 3.22Å | ||
| 235 | H | 36.4 | Very low | 54.5 | Low | 172 Ų | 172 | 105.4 Ų | 105.4 | 80% | 0.796 | 61% | 0.607 | S | S | * | * | trans | -48.3 | 106.9 | 165.1 | -85.6 | -83.9 | 0 | 0 | 0 | 108.1 | S233 K237 | S233-H235 VanDerWaalsContact C-N 3.31Å; S233-H235 PolarHBondContact O-N 2.82Å; H235-K237 PolarHBondContact O-N 2.85Å | ||
| 236 | T | 37.4 | Very low | 57.2 | Low | 105 Ų | 105 | 100.2 Ų | 100.2 | 64% | 0.644 | 57% | 0.571 | S | S | * | * | trans | -66.4 | 118.8 | 171.7 | 45.8 | 0 | 0 | 0 | 0 | 107 | T234 D238 | T234-T236 PolarHBondContact O-N 3.22Å; T236-D238 PolarHBondContact O-N 3.02Å | ||
| 237 | K | 44.7 | Very low | 60.2 | Low | 211 Ų | 211 | 91.6 Ų | 91.6 | 92% | 0.917 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 10.1 | 178.7 | -103.3 | 177.4 | 173.4 | 178.5 | 0 | 114.1 | H235 | H235-K237 PolarHBondContact O-N 2.85Š|
| 238 | D | 54.1 | Low | 63.1 | Low | 142 Ų | 142 | 87 Ų | 87 | 76% | 0.759 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 7.1 | -163.6 | -60.2 | -26.8 | 0 | 0 | 0 | 114.3 | T236 | T236-D238 PolarHBondContact O-N 3.02Š|
| 239 | S | 73.4 | Confident | 65.7 | Low | 65 Ų | 65 | 83.2 Ų | 83.2 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 124.8 | 174.9 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 240 | L | 87.4 | Confident | 69 | Low | 25 Ų | 25 | 77.1 Ų | 77.1 | 13% | 0.131 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.9 | 171.5 | -168.9 | 61.5 | 0 | 0 | 0 | 110.2 | D244 E245 L248 F266 I276 | L240-D244 HydrophobicContact CD1-CB 3.59Å; L240-D244 HydrophobicContact CD2-CB 4.01Å; L240-D244 HydrophobicContact CG-CB 3.62Å; L240-E245 HydrophobicContact CB-CG 4Å; L240-E245 HydrophobicContact CD2-CG 3.98Å; L240-E245 HydrophobicContact CG-CG 4.09Å; L240-L248 HydrophobicContact CD2-CD1 4.36Å; L240-F266 HydrophobicContact CD1-CD1 3.9Å; L240-F266 HydrophobicContact CD2-CB 4.39Å; L240-F266 HydrophobicContact CD2-CD1 3.64Å; L240-F266 HydrophobicContact CD2-CE1 4.16Å; L240-F266 HydrophobicContact CD2-CG 4.19Å; L240-F266 HydrophobicContact CG-CD1 4.43Å; L240-I276 HydrophobicContact CD2-CD1 4.42Å |
| 241 | Q | 89.7 | Confident | 71.7 | Confident | 120 Ų | 120 | 72.3 Ų | 72.3 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 142.3 | 176 | -65.5 | -62.3 | -65.2 | 0 | 0 | 109.7 | I243 D244 E245 | Q241-I243 HydrophobicContact CB-CG2 4.3Å; Q241-I243 PolarHBondContact O-N 2.63Å; Q241-I243 VanDerWaalsContact O-N 3.12Å; Q241-D244 HydrophobicContact CB-CB 4.47Å; Q241-D244 CarbonylContact O-C 3.6Å; Q241-D244 WeakPolarHBondContact O-CA 3.21Å; Q241-D244 WeakPolarHBondContact O-CB 3.36Å; Q241-D244 PolarHBondContact O-N 3.26Å; Q241-E245 PolarHBondContact O-N 3Å |
| 242 | P | 93.3 | Very high | 74.7 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 26% | 0.26 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54 | -34.9 | -178.6 | -32.1 | 39.1 | 0 | 0 | 0 | 115 | W204 V211 D244 E245 L246 W280 | W204-P242 HydrophobicContact CH2-CB 3.56Å; W204-P242 HydrophobicContact CZ2-CB 4.3Å; W204-P242 HydrophobicContact CZ3-CB 4.39Å; V211-P242 HydrophobicContact CG1-CB 3.91Å; P242-D244 VanDerWaalsContact C-N 3.33Å; P242-E245 WeakPolarHBondContact O-CB 3.09Å; P242-E245 PolarHBondContact O-N 2.86Å; P242-L246 PolarHBondContact O-N 3.1Å; P242-W280 HydrophobicContact CB-CZ2 4.5Å; P242-W280 WeakPolarHBondContact O-CZ2 3.3Å |
| 243 | I | 94.1 | Very high | 77.6 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68 | -33.3 | 175.7 | -165.2 | 172.2 | 0 | 0 | 0 | 112.8 | L178 F200 L201 W204 Q241 L246 L247 | L178-I243 HydrophobicContact CD2-CD1 3.4Å; L178-I243 HydrophobicContact CD2-CG1 3.8Å; F200-I243 HydrophobicContact CE1-CG1 4.15Å; L201-I243 HydrophobicContact CD2-CD1 3.81Å; W204-I243 HydrophobicContact CB-CD1 4.22Å; W204-I243 HydrophobicContact CB-CG1 4.5Å; W204-I243 HydrophobicContact CD2-CB 3.85Å; W204-I243 HydrophobicContact CD2-CD1 3.82Å; W204-I243 HydrophobicContact CD2-CG1 3.61Å; W204-I243 HydrophobicContact CE3-CB 4Å; W204-I243 HydrophobicContact CE3-CG1 3.87Å; W204-I243 HydrophobicContact CG-CD1 3.57Å; W204-I243 HydrophobicContact CG-CG1 3.86Å; W204-I243 HydrophobicContact CH2-CB 4.15Å; W204-I243 HydrophobicContact CZ2-CB 3.94Å; W204-I243 HydrophobicContact CZ3-CB 4.12Å; W204-I243 HydrophobicContact CZ3-CG1 4.46Å; Q241-I243 HydrophobicContact CB-CG2 4.3Å; Q241-I243 PolarHBondContact O-N 2.63Å; Q241-I243 VanDerWaalsContact O-N 3.12Å; I243-L246 PolarHBondContact O-N 3.07Å; I243-L247 PolarHBondContact O-N 2.8Å |
| 244 | D | 94.3 | Very high | 80.6 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.3 | -30.1 | 175 | -66.8 | -39.7 | 0 | 0 | 0 | 111.2 | G177 L178 L240 Q241 P242 L247 L248 F266 | G177-D244 VanDerWaalsContact CA-OD1 3.23Å; G177-D244 WeakPolarHBondContact CA-OD1 3.33Å; L178-D244 PolarHBondContact N-OD1 2.95Å; L240-D244 HydrophobicContact CD1-CB 3.59Å; L240-D244 HydrophobicContact CD2-CB 4.01Å; L240-D244 HydrophobicContact CG-CB 3.62Å; Q241-D244 HydrophobicContact CB-CB 4.47Å; Q241-D244 CarbonylContact O-C 3.6Å; Q241-D244 WeakPolarHBondContact O-CA 3.21Å; Q241-D244 WeakPolarHBondContact O-CB 3.36Å; Q241-D244 PolarHBondContact O-N 3.26Å; P242-D244 VanDerWaalsContact C-N 3.33Å; D244-L247 WeakPolarHBondContact O-CB 3.33Å; D244-L247 PolarHBondContact O-N 2.78Å; D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 PolarHBondContact O-N 3.07Å; D244-F266 HydrophobicContact CB-CE1 4.23Å |
| 245 | E | 95.1 | Very high | 83.7 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 168.6 | -63.7 | 179.6 | -174.6 | 0 | 0 | 111.4 | R216 L240 Q241 P242 L247 L248 F249 I276 W280 | R216-E245 IonicContact CZ-OE1 3.37Å; R216-E245 IonicContact NH2-OE1 3.67Å; R216-E245 PolarHBondContact NH2-OE1 3.47Å; R216-E245 IonicContact NH2-OE2 3.15Å; R216-E245 PolarHBondContact NH2-OE2 2.94Å; L240-E245 HydrophobicContact CB-CG 4Å; L240-E245 HydrophobicContact CD2-CG 3.98Å; L240-E245 HydrophobicContact CG-CG 4.09Å; Q241-E245 PolarHBondContact O-N 3Å; P242-E245 WeakPolarHBondContact O-CB 3.09Å; P242-E245 PolarHBondContact O-N 2.86Å; E245-L247 VanDerWaalsContact C-N 3.34Å; E245-L248 WeakPolarHBondContact O-CB 3.48Å; E245-L248 PolarHBondContact O-N 3.03Å; E245-F249 PolarHBondContact O-N 3.17Å; E245-I276 HydrophobicContact CB-CG2 3.85Å; E245-I276 HydrophobicContact CG-CD1 4.03Å; E245-I276 HydrophobicContact CG-CG1 4.25Å; E245-I276 HydrophobicContact CG-CG2 4.3Å; E245-W280 HydrophobicContact CB-CZ2 4.23Å; E245-W280 PolarHBondContact OE2-NE1 2.89Å; E245-W280 VanDerWaalsContact OE2-NE1 3.1Å |
| 246 | L | 96.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 172.1 | 174.6 | 64.2 | 0 | 0 | 0 | 111 | F200 F203 W204 I207 P242 I243 L248 F249 Q250 W280 L284 | F200-L246 HydrophobicContact CE1-CD2 4.41Å; F200-L246 HydrophobicContact CE2-CD2 4.34Å; F200-L246 HydrophobicContact CE2-CG 4.4Å; F200-L246 HydrophobicContact CZ-CD2 3.83Å; F200-L246 HydrophobicContact CZ-CG 3.98Å; F203-L246 HydrophobicContact CD1-CD2 4.32Å; F203-L246 HydrophobicContact CE1-CD2 4.36Å; W204-L246 HydrophobicContact CE3-CD2 3.75Å; W204-L246 HydrophobicContact CZ3-CB 4.4Å; W204-L246 HydrophobicContact CZ3-CD2 4.32Å; I207-L246 HydrophobicContact CD1-CD2 4.07Å; P242-L246 PolarHBondContact O-N 3.1Å; I243-L246 PolarHBondContact O-N 3.07Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.45Å; L246-F249 PolarHBondContact O-N 3.06Å; L246-Q250 HydrophobicContact CD1-CG 4.15Å; L246-Q250 HydrophobicContact CG-CG 4.38Å; L246-Q250 WeakPolarHBondContact O-CB 3.28Å; L246-Q250 WeakPolarHBondContact O-CG 3.26Å; L246-Q250 PolarHBondContact O-N 3.05Å; L246-W280 HydrophobicContact CB-CD2 4.4Å; L246-W280 HydrophobicContact CB-CE3 4.13Å; L246-W280 HydrophobicContact CB-CH2 3.83Å; L246-W280 HydrophobicContact CB-CZ2 4.05Å; L246-W280 HydrophobicContact CB-CZ3 3.85Å; L246-W280 HydrophobicContact CD1-CD2 4.48Å; L246-W280 HydrophobicContact CD1-CE3 3.66Å; L246-W280 HydrophobicContact CD1-CZ3 3.69Å; L246-W280 HydrophobicContact CG-CE3 4.47Å; L246-W280 HydrophobicContact CG-CZ3 4.21Å; L246-L284 HydrophobicContact CD1-CD1 4.18Å |
| 247 | L | 96.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 175.1 | 175.1 | 66.2 | 0 | 0 | 0 | 111.3 | L178 F181 T192 F200 I243 D244 E245 F249 Q250 M251 F266 | L178-L247 HydrophobicContact CB-CD2 4.06Å; L178-L247 HydrophobicContact CD1-CD1 4.23Å; L178-L247 HydrophobicContact CD1-CD2 4.33Å; F181-L247 HydrophobicContact CD2-CD1 4.47Å; F181-L247 HydrophobicContact CD2-CD2 4.23Å; F181-L247 HydrophobicContact CE2-CD1 4.4Å; F181-L247 HydrophobicContact CE2-CD2 4.04Å; T192-L247 HydrophobicContact CG2-CD1 3.68Å; F200-L247 HydrophobicContact CZ-CB 4.45Å; I243-L247 PolarHBondContact O-N 2.8Å; D244-L247 WeakPolarHBondContact O-CB 3.33Å; D244-L247 PolarHBondContact O-N 2.78Å; E245-L247 VanDerWaalsContact C-N 3.34Å; L247-F249 PolarHBondContact O-N 2.73Å; L247-Q250 PolarHBondContact O-N 3.4Å; L247-M251 HydrophobicContact CD1-CG 4.21Å; L247-M251 HydrophobicContact CD1-SD 4.24Å; L247-M251 HydrophobicContact CG-CG 4.4Å; L247-M251 HydrophobicContact CG-SD 3.99Å; L247-M251 WeakPolarHBondContact O-CB 3.47Å; L247-M251 VanDerWaalsContact O-CG 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.15Å; L247-M251 PolarHBondContact O-N 2.76Å; L247-F266 HydrophobicContact CD2-CE1 4.32Å; L247-F266 HydrophobicContact CD2-CZ 4.11Å; L247-F266 HydrophobicContact CG-CZ 4.14Å |
| 248 | L | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 175.6 | -175.1 | 160.3 | 0 | 0 | 0 | 111.2 | L240 D244 E245 L246 Q250 M251 Y252 L262 F266 I268 A273 I276 I277 | L240-L248 HydrophobicContact CD2-CD1 4.36Å; D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 PolarHBondContact O-N 3.07Å; E245-L248 WeakPolarHBondContact O-CB 3.48Å; E245-L248 PolarHBondContact O-N 3.03Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.45Å; L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 PolarHBondContact O-N 2.99Å; L248-M251 PolarHBondContact O-N 3.17Å; L248-Y252 PolarHBondContact O-N 3.13Å; L248-L262 HydrophobicContact CD1-CB 4.41Å; L248-L262 HydrophobicContact CD2-CB 4.44Å; L248-L262 HydrophobicContact CD2-CD1 4Å; L248-L262 HydrophobicContact CG-CB 4.17Å; L248-L262 HydrophobicContact CG-CD1 4.35Å; L248-L262 HydrophobicContact CG-CD2 4.31Å; L248-F266 HydrophobicContact CB-CD2 4.21Å; L248-F266 HydrophobicContact CB-CE1 4.35Å; L248-F266 HydrophobicContact CB-CE2 3.72Å; L248-F266 HydrophobicContact CB-CZ 3.79Å; L248-F266 HydrophobicContact CD1-CB 4.4Å; L248-F266 HydrophobicContact CD1-CD2 3.72Å; L248-F266 HydrophobicContact CD1-CE2 4.11Å; L248-F266 HydrophobicContact CD1-CG 4.03Å; L248-F266 HydrophobicContact CG-CD2 4.01Å; L248-F266 HydrophobicContact CG-CE2 3.89Å; L248-F266 HydrophobicContact CG-CZ 4.45Å; L248-I268 HydrophobicContact CD1-CD1 3.65Å; L248-A273 HydrophobicContact CD1-CB 4.46Å; L248-I276 HydrophobicContact CD1-CD1 4.33Å; L248-I276 HydrophobicContact CD1-CG2 4.5Å; L248-I276 HydrophobicContact CD2-CG2 3.95Å; L248-I277 HydrophobicContact CD2-CD1 4.11Å; L248-I277 HydrophobicContact CD2-CG1 3.69Å |
| 249 | F | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 176 | 173.1 | -96 | 0 | 0 | 0 | 112.1 | E245 L246 L247 Y252 L253 W280 A281 L284 L465 V468 | E245-F249 PolarHBondContact O-N 3.17Å; L246-F249 PolarHBondContact O-N 3.06Å; L247-F249 PolarHBondContact O-N 2.73Å; F249-Y252 WeakPolarHBondContact O-CB 3.41Å; F249-Y252 PolarHBondContact O-N 3.3Å; F249-L253 HydrophobicContact CE1-CD2 4.21Å; F249-L253 HydrophobicContact CZ-CD2 4.36Å; F249-L253 PolarHBondContact O-N 2.98Å; F249-W280 HydrophobicContact CB-CB 3.79Å; F249-W280 HydrophobicContact CB-CG 4.19Å; F249-W280 HydrophobicContact CD1-CB 4.38Å; F249-W280 HydrophobicContact CD2-CB 3.76Å; F249-W280 HydrophobicContact CE2-CB 4.49Å; F249-W280 HydrophobicContact CG-CB 3.69Å; F249-A281 HydrophobicContact CE2-CB 3.87Å; F249-A281 HydrophobicContact CZ-CB 4.49Å; F249-L284 HydrophobicContact CD1-CD1 3.74Å; F249-L284 HydrophobicContact CE1-CD1 3.43Å; F249-L284 VanDerWaalsContact CE1-CD1 3.43Å; F249-L284 HydrophobicContact CZ-CD1 4.2Å; F249-L465 HydrophobicContact CE2-CD2 3.81Å; F249-L465 HydrophobicContact CZ-CD2 4.12Å; F249-V468 HydrophobicContact CE1-CG1 4Å; F249-V468 HydrophobicContact CZ-CG1 3.96Å |
| 250 | Q | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 177.3 | -71.8 | -59.2 | 105.3 | 0 | 0 | 111.7 | Y191 T192 F200 L246 L247 L248 Y252 L253 A254 | Y191-Q250 CarbonylContact O-C 3.45Å; T192-Q250 HydrophobicContact CG2-CB 4.02Å; T192-Q250 PolarHBondContact O-NE2 2.91Å; F200-Q250 HydrophobicContact CE2-CG 4.08Å; L246-Q250 HydrophobicContact CD1-CG 4.15Å; L246-Q250 HydrophobicContact CG-CG 4.38Å; L246-Q250 WeakPolarHBondContact O-CB 3.28Å; L246-Q250 WeakPolarHBondContact O-CG 3.26Å; L246-Q250 PolarHBondContact O-N 3.05Å; L247-Q250 PolarHBondContact O-N 3.4Å; L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 PolarHBondContact O-N 2.99Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 3.28Å; Q250-L253 PolarHBondContact O-N 3.39Å; Q250-A254 WeakPolarHBondContact O-CB 3.23Å; Q250-A254 PolarHBondContact O-N 2.78Å |
| 251 | M | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 175.1 | -73.8 | 176.3 | 66.1 | 0 | 0 | 112.3 | F176 Y191 L247 L248 A255 G256 L257 L262 F266 | F176-M251 HydrophobicContact CE1-CE 3.77Å; F176-M251 HydrophobicContact CE1-SD 3.7Å; F176-M251 HydrophobicContact CZ-CE 3.69Å; F176-M251 HydrophobicContact CZ-SD 4.07Å; Y191-M251 HydrophobicContact CD1-CE 3.77Å; Y191-M251 HydrophobicContact CD1-CG 3.76Å; Y191-M251 HydrophobicContact CD1-SD 4.29Å; Y191-M251 HydrophobicContact CE1-CE 3.83Å; Y191-M251 HydrophobicContact CG-CE 4.47Å; Y191-M251 HydrophobicContact CG-CG 4.06Å; Y191-M251 VanDerWaalsContact O-CA 3.31Å; Y191-M251 WeakPolarHBondContact O-CA 3.23Å; Y191-M251 PolarHBondContact O-N 2.91Å; L247-M251 HydrophobicContact CD1-CG 4.21Å; L247-M251 HydrophobicContact CD1-SD 4.24Å; L247-M251 HydrophobicContact CG-CG 4.4Å; L247-M251 HydrophobicContact CG-SD 3.99Å; L247-M251 WeakPolarHBondContact O-CB 3.47Å; L247-M251 VanDerWaalsContact O-CG 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.15Å; L247-M251 PolarHBondContact O-N 2.76Å; L248-M251 PolarHBondContact O-N 3.17Å; M251-A255 WeakPolarHBondContact O-CA 3.37Å; M251-A255 WeakPolarHBondContact O-CB 3.45Å; M251-A255 PolarHBondContact O-N 2.96Å; M251-A255 VanDerWaalsContact O-N 3.13Å; M251-G256 PolarHBondContact O-N 3.21Å; M251-L257 HydrophobicContact CB-CD1 4.15Å; M251-L257 HydrophobicContact CE-CD1 3.4Å; M251-L257 VanDerWaalsContact CE-CD1 3.4Å; M251-L262 HydrophobicContact CB-CD2 3.8Å; M251-L262 HydrophobicContact CE-CD2 4.16Å; M251-F266 HydrophobicContact CE-CE2 4.45Å; M251-F266 HydrophobicContact SD-CE2 3.87Å; M251-F266 HydrophobicContact SD-CZ 3.88Å |
| 252 | Y | 94.5 | Very high | 94.1 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 172.7 | 176.1 | -103.5 | 0 | 0 | 0 | 111.6 | L248 F249 Q250 G256 L257 E259 L262 I277 L449 M458 L465 | L248-Y252 PolarHBondContact O-N 3.13Å; F249-Y252 WeakPolarHBondContact O-CB 3.41Å; F249-Y252 PolarHBondContact O-N 3.3Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 3.28Å; Y252-G256 WeakPolarHBondContact O-CA 3.4Å; Y252-G256 PolarHBondContact O-N 2.95Å; Y252-L257 VanDerWaalsContact CD2-O 3.27Å; Y252-L257 WeakPolarHBondContact CD2-O 3.38Å; Y252-E259 HydrophobicContact CE2-CG 4.5Å; Y252-L262 HydrophobicContact CD2-CD1 4.03Å; Y252-L262 HydrophobicContact CG-CD1 4.37Å; Y252-I277 HydrophobicContact CD1-CD1 4.42Å; Y252-I277 HydrophobicContact CD1-CG1 4.34Å; Y252-I277 HydrophobicContact CD1-CG2 3.67Å; Y252-I277 HydrophobicContact CD2-CD1 3.58Å; Y252-I277 HydrophobicContact CD2-CG1 4.31Å; Y252-I277 HydrophobicContact CE1-CG2 3.44Å; Y252-I277 VanDerWaalsContact CE1-CG2 3.44Å; Y252-I277 HydrophobicContact CE2-CD1 3.86Å; Y252-I277 HydrophobicContact CE2-CG2 4.4Å; Y252-I277 HydrophobicContact CG-CD1 3.85Å; Y252-I277 HydrophobicContact CG-CG1 4.07Å; Y252-I277 HydrophobicContact CG-CG2 4.21Å; Y252-L449 HydrophobicContact CD1-CD2 4.35Å; Y252-L449 HydrophobicContact CE1-CD1 4.28Å; Y252-L449 HydrophobicContact CE1-CD2 3.95Å; Y252-M458 HydrophobicContact CE1-CE 4.07Å; Y252-M458 WeakPolarHBondContact OH-CE 3.28Å; Y252-M458 PolarHBondContact OH-SD 2.98Å; Y252-L465 HydrophobicContact CE1-CD1 4.37Å; Y252-L465 HydrophobicContact CE1-CD2 4.39Å |
| 253 | L | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73 | -54.2 | -177.6 | -174.6 | 62.9 | 0 | 0 | 0 | 112.6 | F249 Q250 N447 L449 F450 A469 L472 | F249-L253 HydrophobicContact CE1-CD2 4.21Å; F249-L253 HydrophobicContact CZ-CD2 4.36Å; F249-L253 PolarHBondContact O-N 2.98Å; Q250-L253 PolarHBondContact O-N 3.39Å; L253-N447 HydrophobicContact CG-CB 4.46Å; L253-N447 WeakPolarHBondContact O-CB 3.22Å; L253-L449 HydrophobicContact CD1-CB 4.36Å; L253-L449 HydrophobicContact CD1-CD2 3.71Å; L253-L449 VanDerWaalsContact O-CB 3.3Å; L253-L449 WeakPolarHBondContact O-CB 3.47Å; L253-L449 PolarHBondContact O-N 2.97Å; L253-F450 HydrophobicContact CD1-CE2 4.2Å; L253-F450 HydrophobicContact CD1-CZ 3.93Å; L253-A469 HydrophobicContact CD1-CB 4.26Å; L253-A469 HydrophobicContact CD2-CB 4.08Å; L253-L472 HydrophobicContact CD2-CD1 4.14Å |
| 254 | A | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.5 | -49.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y191 R193 Q250 N447 K448 | Y191-A254 WeakPolarHBondContact O-CB 3.47Å; R193-A254 HydrophobicContact CG-CB 3.72Å; Q250-A254 WeakPolarHBondContact O-CB 3.23Å; Q250-A254 PolarHBondContact O-N 2.78Å; A254-N447 WeakPolarHBondContact CA-OD1 3.42Å; A254-K448 WeakPolarHBondContact O-CB 3.41Å; A254-K448 VanDerWaalsContact O-CG 3.28Å; A254-K448 WeakPolarHBondContact O-CG 3.12Å; A254-K448 PolarHBondContact O-N 3.45Å |
| 255 | A | 94.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 27.5 Ų | 27.5 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -96.8 | -5.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | F190 Y191 M251 L257 | F190-A255 HydrophobicContact CE1-CB 4.02Å; F190-A255 HydrophobicContact CZ-CB 4.37Å; Y191-A255 HydrophobicContact CD1-CB 4.12Å; M251-A255 WeakPolarHBondContact O-CA 3.37Å; M251-A255 WeakPolarHBondContact O-CB 3.45Å; M251-A255 PolarHBondContact O-N 2.96Å; M251-A255 VanDerWaalsContact O-N 3.13Å; A255-L257 HydrophobicContact CB-CD1 4.5Å; A255-L257 HydrophobicContact CB-CD2 4.38Å; A255-L257 HydrophobicContact CB-CG 3.97Å; A255-L257 PolarHBondContact O-N 3.5Å |
| 256 | G | 91.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 18% | 0.175 | 15% | 0.153 | C | C | . | . | trans | 67.6 | 22.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M251 Y252 Q258 | M251-G256 PolarHBondContact O-N 3.21Å; Y252-G256 WeakPolarHBondContact O-CA 3.4Å; Y252-G256 PolarHBondContact O-N 2.95Å; G256-Q258 PolarHBondContact O-NE2 3.23Å | ||
| 257 | L | 92.6 | Very high | 93.5 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | trans | -67.7 | 137.5 | -176.7 | -60.8 | -175.8 | 0 | 0 | 0 | 110.6 | Y191 M251 Y252 A255 L262 | Y191-L257 HydrophobicContact CE1-CD1 4.22Å; M251-L257 HydrophobicContact CB-CD1 4.15Å; M251-L257 HydrophobicContact CE-CD1 3.4Å; M251-L257 VanDerWaalsContact CE-CD1 3.4Å; Y252-L257 VanDerWaalsContact CD2-O 3.27Å; Y252-L257 WeakPolarHBondContact CD2-O 3.38Å; A255-L257 HydrophobicContact CB-CD1 4.5Å; A255-L257 HydrophobicContact CB-CD2 4.38Å; A255-L257 HydrophobicContact CB-CG 3.97Å; A255-L257 PolarHBondContact O-N 3.5Å; L257-L262 HydrophobicContact CB-CD1 4.35Å; L257-L262 HydrophobicContact CB-CD2 3.9Å; L257-L262 HydrophobicContact CB-CG 3.96Å; L257-L262 HydrophobicContact CD1-CD2 3.95Å | ||
| 258 | Q | 89.9 | Confident | 93.3 | Very high | 118 Ų | 118 | 36 Ų | 36 | 55% | 0.551 | 19% | 0.192 | S | C | * | . | trans | -76.3 | 151.4 | -178.6 | -59 | -60.3 | -66.4 | 0 | 0 | 111 | G256 G260 D261 L262 | G256-Q258 PolarHBondContact O-NE2 3.23Å; Q258-G260 PolarHBondContact O-N 3.25Å; Q258-G260 VanDerWaalsContact O-N 3.09Å; Q258-D261 WeakPolarHBondContact O-CB 3.39Å; Q258-D261 PolarHBondContact O-N 3.33Å; Q258-L262 PolarHBondContact O-N 3.21Å; Q258-L262 VanDerWaalsContact O-N 3.07Å | ||
| 259 | E | 90.1 | Very high | 93 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.4 | -37.9 | -178 | -59.6 | -175.8 | 165.8 | 0 | 0 | 113 | Y252 L262 A263 S274 I277 | Y252-E259 HydrophobicContact CE2-CG 4.5Å; E259-L262 PolarHBondContact O-N 3.43Å; E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 3.2Å; E259-S274 WeakPolarHBondContact OE1-CB 3.18Å; E259-S274 PolarHBondContact OE1-OG 3.38Å; E259-S274 WeakPolarHBondContact OE2-CB 3.44Å; E259-S274 PolarHBondContact OE2-OG 3.23Å; E259-I277 HydrophobicContact CG-CD1 3.88Å |
| 260 | G | 89.9 | Confident | 92.7 | Very high | 46 Ų | 46 | 44.6 Ų | 44.6 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.8 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q258 N264 | Q258-G260 PolarHBondContact O-N 3.25Å; Q258-G260 VanDerWaalsContact O-N 3.09Å; G260-N264 PolarHBondContact O-N 3.33Å |
| 261 | D | 93.1 | Very high | 92.3 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 33% | 0.326 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.3 | -44.5 | 174.9 | -179.9 | 71.4 | 0 | 0 | 0 | 110.4 | Q258 A263 N264 R265 | Q258-D261 WeakPolarHBondContact O-CB 3.39Å; Q258-D261 PolarHBondContact O-N 3.33Å; D261-A263 PolarHBondContact O-N 3.27Å; D261-N264 PolarHBondContact O-N 3.18Å; D261-R265 WeakPolarHBondContact O-CG 3.25Å; D261-R265 PolarHBondContact O-N 3.4Å; D261-R265 IonicContact OD1-NE 2.74Å; D261-R265 IonicContact OD1-NH2 2.92Å; D261-R265 IonicContact OD2-CZ 3.76Å; D261-R265 IonicContact OD2-NE 3.67Å; D261-R265 PolarHBondContact OD2-NE 3.4Å; D261-R265 IonicContact OD2-NH2 3.66Å |
| 262 | L | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 175.1 | -66 | 169.5 | 0 | 0 | 0 | 111.3 | L248 M251 Y252 L257 Q258 E259 N264 R265 F266 I277 | L248-L262 HydrophobicContact CD1-CB 4.41Å; L248-L262 HydrophobicContact CD2-CB 4.44Å; L248-L262 HydrophobicContact CD2-CD1 4Å; L248-L262 HydrophobicContact CG-CB 4.17Å; L248-L262 HydrophobicContact CG-CD1 4.35Å; L248-L262 HydrophobicContact CG-CD2 4.31Å; M251-L262 HydrophobicContact CB-CD2 3.8Å; M251-L262 HydrophobicContact CE-CD2 4.16Å; Y252-L262 HydrophobicContact CD2-CD1 4.03Å; Y252-L262 HydrophobicContact CG-CD1 4.37Å; L257-L262 HydrophobicContact CB-CD1 4.35Å; L257-L262 HydrophobicContact CB-CD2 3.9Å; L257-L262 HydrophobicContact CB-CG 3.96Å; L257-L262 HydrophobicContact CD1-CD2 3.95Å; Q258-L262 PolarHBondContact O-N 3.21Å; Q258-L262 VanDerWaalsContact O-N 3.07Å; E259-L262 PolarHBondContact O-N 3.43Å; L262-N264 VanDerWaalsContact C-N 3.31Å; L262-N264 PolarHBondContact O-N 3.4Å; L262-R265 PolarHBondContact O-N 2.84Å; L262-F266 HydrophobicContact CD2-CE2 4.23Å; L262-F266 WeakPolarHBondContact O-CD2 3.35Å; L262-F266 PolarHBondContact O-N 3.15Å; L262-I277 HydrophobicContact CD1-CD1 4.11Å |
| 263 | A | 93 | Very high | 91.9 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.3 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E259 D261 Q267 I268 P270 A273 | E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 3.2Å; D261-A263 PolarHBondContact O-N 3.27Å; A263-Q267 WeakPolarHBondContact O-CA 3.45Å; A263-Q267 PolarHBondContact O-N 2.74Å; A263-I268 CarbonylContact C-O 3.42Å; A263-I268 WeakPolarHBondContact CB-O 3.47Å; A263-I268 PolarHBondContact O-N 3.02Å; A263-I268 VanDerWaalsContact O-O 3.08Å; A263-P270 HydrophobicContact CB-CB 4.26Å; A263-P270 HydrophobicContact CB-CG 3.95Å; A263-A273 HydrophobicContact CB-CB 4.2Å |
| 264 | N | 92.9 | Very high | 91.8 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.3 | -50.6 | 176.7 | -172.4 | -50.8 | 0 | 0 | 0 | 111.6 | G260 D261 L262 F266 Q267 | G260-N264 PolarHBondContact O-N 3.33Å; D261-N264 PolarHBondContact O-N 3.18Å; L262-N264 VanDerWaalsContact C-N 3.31Å; L262-N264 PolarHBondContact O-N 3.4Å; N264-F266 PolarHBondContact O-N 3.06Å; N264-Q267 PolarHBondContact O-N 2.94Å; N264-Q267 VanDerWaalsContact O-N 3.14Å |
| 265 | R | 93 | Very high | 91.5 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.1 | -52.8 | -178.8 | -73.2 | 175.1 | -175.3 | -91.4 | -6 | 111.7 | F176 D261 L262 Q267 | F176-R265 WeakPolarHBondContact CB-O 3.31Å; F176-R265 HydrophobicContact CD1-CB 4.02Å; F176-R265 HydrophobicContact CD2-CB 4.35Å; F176-R265 HydrophobicContact CE1-CB 4.25Å; F176-R265 HydrophobicContact CG-CB 4.1Å; D261-R265 WeakPolarHBondContact O-CG 3.25Å; D261-R265 PolarHBondContact O-N 3.4Å; D261-R265 IonicContact OD1-NE 2.74Å; D261-R265 IonicContact OD1-NH2 2.92Å; D261-R265 IonicContact OD2-CZ 3.76Å; D261-R265 IonicContact OD2-NE 3.67Å; D261-R265 PolarHBondContact OD2-NE 3.4Å; D261-R265 IonicContact OD2-NH2 3.66Å; L262-R265 PolarHBondContact O-N 2.84Å; R265-Q267 PolarHBondContact O-N 3.49Å |
| 266 | F | 92.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.4 | -177.6 | -70.9 | -88.2 | 0 | 0 | 0 | 113.5 | F176 L240 D244 L247 L248 M251 L262 N264 I268 | F176-F266 AromaticContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD2 4.01Å; F176-F266 AromaticContact CD1-CE1 3.71Å; F176-F266 HydrophobicContact CD1-CE1 3.71Å; F176-F266 AromaticContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CG 4.1Å; F176-F266 AromaticContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CE1-CD2 4.31Å; F176-F266 HydrophobicContact CE1-CE1 4.13Å; F176-F266 AromaticContact CE1-CE2 3.68Å; F176-F266 HydrophobicContact CE1-CE2 3.68Å; F176-F266 AromaticContact CE1-CZ 3.59Å; F176-F266 HydrophobicContact CE1-CZ 3.59Å; F176-F266 WeakPolarHBondContact O-CD1 3.25Å; L240-F266 HydrophobicContact CD1-CD1 3.9Å; L240-F266 HydrophobicContact CD2-CB 4.39Å; L240-F266 HydrophobicContact CD2-CD1 3.64Å; L240-F266 HydrophobicContact CD2-CE1 4.16Å; L240-F266 HydrophobicContact CD2-CG 4.19Å; L240-F266 HydrophobicContact CG-CD1 4.43Å; D244-F266 HydrophobicContact CB-CE1 4.23Å; L247-F266 HydrophobicContact CD2-CE1 4.32Å; L247-F266 HydrophobicContact CD2-CZ 4.11Å; L247-F266 HydrophobicContact CG-CZ 4.14Å; L248-F266 HydrophobicContact CB-CD2 4.21Å; L248-F266 HydrophobicContact CB-CE1 4.35Å; L248-F266 HydrophobicContact CB-CE2 3.72Å; L248-F266 HydrophobicContact CB-CZ 3.79Å; L248-F266 HydrophobicContact CD1-CB 4.4Å; L248-F266 HydrophobicContact CD1-CD2 3.72Å; L248-F266 HydrophobicContact CD1-CE2 4.11Å; L248-F266 HydrophobicContact CD1-CG 4.03Å; L248-F266 HydrophobicContact CG-CD2 4.01Å; L248-F266 HydrophobicContact CG-CE2 3.89Å; L248-F266 HydrophobicContact CG-CZ 4.45Å; M251-F266 HydrophobicContact CE-CE2 4.45Å; M251-F266 HydrophobicContact SD-CE2 3.87Å; M251-F266 HydrophobicContact SD-CZ 3.88Å; L262-F266 HydrophobicContact CD2-CE2 4.23Å; L262-F266 WeakPolarHBondContact O-CD2 3.35Å; L262-F266 PolarHBondContact O-N 3.15Å; N264-F266 PolarHBondContact O-N 3.06Å; F266-I268 HydrophobicContact CB-CD1 4.28Å; F266-I268 HydrophobicContact CB-CG1 4.13Å; F266-I268 HydrophobicContact CB-CG2 4.49Å; F266-I268 PolarHBondContact O-N 3.12Å |
| 267 | Q | 90.4 | Very high | 91.5 | Very high | 145 Ų | 145 | 56.8 Ų | 56.8 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 39.1 | -178.9 | -57.8 | 175.2 | 27 | 0 | 0 | 113.2 | S174 A263 N264 R265 | S174-Q267 PolarHBondContact O-NE2 2.65Å; A263-Q267 WeakPolarHBondContact O-CA 3.45Å; A263-Q267 PolarHBondContact O-N 2.74Å; N264-Q267 PolarHBondContact O-N 2.94Å; N264-Q267 VanDerWaalsContact O-N 3.14Å; R265-Q267 PolarHBondContact O-N 3.49Å |
| 268 | I | 91.1 | Very high | 91.4 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | trans | -115.1 | 164.6 | 177.2 | 62.1 | 176 | 0 | 0 | 0 | 110.7 | L248 A263 F266 T272 A273 I276 | L248-I268 HydrophobicContact CD1-CD1 3.65Å; A263-I268 CarbonylContact C-O 3.42Å; A263-I268 WeakPolarHBondContact CB-O 3.47Å; A263-I268 PolarHBondContact O-N 3.02Å; A263-I268 VanDerWaalsContact O-O 3.08Å; F266-I268 HydrophobicContact CB-CD1 4.28Å; F266-I268 HydrophobicContact CB-CG1 4.13Å; F266-I268 HydrophobicContact CB-CG2 4.49Å; F266-I268 PolarHBondContact O-N 3.12Å; I268-T272 HydrophobicContact CB-CG2 4.4Å; I268-T272 HydrophobicContact CD1-CG2 4.25Å; I268-A273 HydrophobicContact CD1-CB 3.94Å; I268-A273 HydrophobicContact CG1-CB 4.42Å; I268-I276 HydrophobicContact CD1-CD1 3.75Å | ||
| 269 | H | 90.9 | Very high | 91.5 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | trans | -70.6 | 145 | 175.1 | -169.1 | -96 | 0 | 0 | 0 | 111.2 | S271 T272 A273 | H269-S271 VanDerWaalsContact C-N 3.27Å; H269-S271 PolarHBondContact CE1-OG 3.33Å; H269-S271 PolarHBondContact ND1-N 3.36Å; H269-S271 PolarHBondContact ND1-OG 3.01Å; H269-S271 PolarHBondContact O-N 2.79Å; H269-T272 WeakPolarHBondContact O-CA 3.31Å; H269-T272 VanDerWaalsContact O-CB 3.23Å; H269-T272 WeakPolarHBondContact O-CB 3.49Å; H269-T272 PolarHBondContact O-N 3.13Å; H269-A273 PolarHBondContact O-N 2.88Å | ||
| 270 | P | 90.1 | Very high | 91.7 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.5 | -38 | 177.8 | -29.2 | 36 | 0 | 0 | 0 | 114.6 | A263 T272 A273 S274 | A263-P270 HydrophobicContact CB-CB 4.26Å; A263-P270 HydrophobicContact CB-CG 3.95Å; P270-T272 VanDerWaalsContact C-N 3.27Å; P270-T272 PolarHBondContact O-N 2.89Å; P270-A273 PolarHBondContact O-N 3.48Å; P270-S274 PolarHBondContact O-N 2.83Å |
| 271 | S | 89.1 | Confident | 91.9 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.3 | -30.9 | 174.5 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | H269 R275 | H269-S271 VanDerWaalsContact C-N 3.27Å; H269-S271 PolarHBondContact CE1-OG 3.33Å; H269-S271 PolarHBondContact ND1-N 3.36Å; H269-S271 PolarHBondContact ND1-OG 3.01Å; H269-S271 PolarHBondContact O-N 2.79Å; S271-R275 WeakPolarHBondContact O-CB 3.35Å; S271-R275 WeakPolarHBondContact O-CD 3.4Å; S271-R275 WeakPolarHBondContact O-CG 3.32Å; S271-R275 PolarHBondContact O-N 2.89Å |
| 272 | T | 90.8 | Very high | 91.8 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.5 | -44.4 | 173.6 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | I268 H269 P270 S274 R275 I276 | I268-T272 HydrophobicContact CB-CG2 4.4Å; I268-T272 HydrophobicContact CD1-CG2 4.25Å; H269-T272 WeakPolarHBondContact O-CA 3.31Å; H269-T272 VanDerWaalsContact O-CB 3.23Å; H269-T272 WeakPolarHBondContact O-CB 3.49Å; H269-T272 PolarHBondContact O-N 3.13Å; P270-T272 VanDerWaalsContact C-N 3.27Å; P270-T272 PolarHBondContact O-N 2.89Å; T272-S274 PolarHBondContact O-N 3.43Å; T272-R275 PolarHBondContact O-N 3.24Å; T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 VanDerWaalsContact O-CG1 3.29Å; T272-I276 WeakPolarHBondContact O-CG1 3.38Å; T272-I276 PolarHBondContact O-N 3.32Å |
| 273 | A | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L248 A263 I268 H269 P270 R275 I276 I277 | L248-A273 HydrophobicContact CD1-CB 4.46Å; A263-A273 HydrophobicContact CB-CB 4.2Å; I268-A273 HydrophobicContact CD1-CB 3.94Å; I268-A273 HydrophobicContact CG1-CB 4.42Å; H269-A273 PolarHBondContact O-N 2.88Å; P270-A273 PolarHBondContact O-N 3.48Å; A273-R275 PolarHBondContact O-N 3.23Å; A273-I276 PolarHBondContact O-N 3.24Å; A273-I277 WeakPolarHBondContact O-CD1 3.28Å; A273-I277 WeakPolarHBondContact O-CG1 3.32Å; A273-I277 PolarHBondContact O-N 2.9Å |
| 274 | S | 91 | Very high | 91.9 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.8 | -166 | 0 | 0 | 0 | 0 | 112.2 | E259 P270 T272 I276 I277 C278 | E259-S274 WeakPolarHBondContact OE1-CB 3.18Å; E259-S274 PolarHBondContact OE1-OG 3.38Å; E259-S274 WeakPolarHBondContact OE2-CB 3.44Å; E259-S274 PolarHBondContact OE2-OG 3.23Å; P270-S274 PolarHBondContact O-N 2.83Å; T272-S274 PolarHBondContact O-N 3.43Å; S274-I276 PolarHBondContact O-N 3.44Å; S274-I277 PolarHBondContact O-N 3.22Å; S274-C278 PolarHBondContact O-N 3.24Å; S274-C278 PolarHBondContact O-SG 2.92Å |
| 275 | R | 90 | Very high | 91.9 | Very high | 130 Ų | 130 | 46.8 Ų | 46.8 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 174.3 | -76.6 | 167.5 | 58.5 | 95.5 | 4 | 112.1 | S217 S271 T272 A273 C278 L279 | S217-R275 PolarHBondContact O-NH1 2.85Å; S217-R275 VanDerWaalsContact O-NH1 3.08Å; S217-R275 PolarHBondContact O-NH2 3.25Å; S271-R275 WeakPolarHBondContact O-CB 3.35Å; S271-R275 WeakPolarHBondContact O-CD 3.4Å; S271-R275 WeakPolarHBondContact O-CG 3.32Å; S271-R275 PolarHBondContact O-N 2.89Å; T272-R275 PolarHBondContact O-N 3.24Å; A273-R275 PolarHBondContact O-N 3.23Å; R275-C278 PolarHBondContact O-N 3.34Å; R275-L279 WeakPolarHBondContact O-CB 3.39Å; R275-L279 PolarHBondContact O-N 2.98Å |
| 276 | I | 92.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 176.5 | -73.2 | 165.3 | 0 | 0 | 0 | 109.8 | L240 E245 L248 I268 T272 A273 S274 C278 L279 W280 | L240-I276 HydrophobicContact CD2-CD1 4.42Å; E245-I276 HydrophobicContact CB-CG2 3.85Å; E245-I276 HydrophobicContact CG-CD1 4.03Å; E245-I276 HydrophobicContact CG-CG1 4.25Å; E245-I276 HydrophobicContact CG-CG2 4.3Å; L248-I276 HydrophobicContact CD1-CD1 4.33Å; L248-I276 HydrophobicContact CD1-CG2 4.5Å; L248-I276 HydrophobicContact CD2-CG2 3.95Å; I268-I276 HydrophobicContact CD1-CD1 3.75Å; T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 VanDerWaalsContact O-CG1 3.29Å; T272-I276 WeakPolarHBondContact O-CG1 3.38Å; T272-I276 PolarHBondContact O-N 3.32Å; A273-I276 PolarHBondContact O-N 3.24Å; S274-I276 PolarHBondContact O-N 3.44Å; I276-C278 PolarHBondContact O-N 3.39Å; I276-L279 PolarHBondContact O-N 2.75Å; I276-W280 WeakPolarHBondContact O-CB 3.43Å; I276-W280 VanDerWaalsContact O-CD1 3.26Å; I276-W280 PolarHBondContact O-N 3Å |
| 277 | I | 92.5 | Very high | 92 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | -179.3 | -70.5 | 159.7 | 0 | 0 | 0 | 111.3 | L248 Y252 E259 L262 A273 S274 A281 | L248-I277 HydrophobicContact CD2-CD1 4.11Å; L248-I277 HydrophobicContact CD2-CG1 3.69Å; Y252-I277 HydrophobicContact CD1-CD1 4.42Å; Y252-I277 HydrophobicContact CD1-CG1 4.34Å; Y252-I277 HydrophobicContact CD1-CG2 3.67Å; Y252-I277 HydrophobicContact CD2-CD1 3.58Å; Y252-I277 HydrophobicContact CD2-CG1 4.31Å; Y252-I277 HydrophobicContact CE1-CG2 3.44Å; Y252-I277 VanDerWaalsContact CE1-CG2 3.44Å; Y252-I277 HydrophobicContact CE2-CD1 3.86Å; Y252-I277 HydrophobicContact CE2-CG2 4.4Å; Y252-I277 HydrophobicContact CG-CD1 3.85Å; Y252-I277 HydrophobicContact CG-CG1 4.07Å; Y252-I277 HydrophobicContact CG-CG2 4.21Å; E259-I277 HydrophobicContact CG-CD1 3.88Å; L262-I277 HydrophobicContact CD1-CD1 4.11Å; A273-I277 WeakPolarHBondContact O-CD1 3.28Å; A273-I277 WeakPolarHBondContact O-CG1 3.32Å; A273-I277 PolarHBondContact O-N 2.9Å; S274-I277 PolarHBondContact O-N 3.22Å; I277-A281 VanDerWaalsContact O-CB 3.3Å; I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 3.23Å |
| 278 | C | 90.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 41.6 Ų | 41.6 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 178.5 | -70.9 | 0 | 0 | 0 | 0 | 112 | S274 R275 I276 W280 A281 D282 | S274-C278 PolarHBondContact O-N 3.24Å; S274-C278 PolarHBondContact O-SG 2.92Å; R275-C278 PolarHBondContact O-N 3.34Å; I276-C278 PolarHBondContact O-N 3.39Å; C278-W280 PolarHBondContact O-N 3.3Å; C278-A281 PolarHBondContact O-N 3.05Å; C278-D282 WeakPolarHBondContact O-CB 3.3Å; C278-D282 PolarHBondContact O-N 2.94Å |
| 279 | L | 91.7 | Very high | 92 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | -177.8 | -171.5 | 69.8 | 0 | 0 | 0 | 112 | M214 I215 R216 R275 I276 D282 Y283 | M214-L279 HydrophobicContact CG-CD1 3.69Å; M214-L279 HydrophobicContact CG-CD2 3.68Å; M214-L279 HydrophobicContact CG-CG 3.48Å; M214-L279 VanDerWaalsContact CG-CG 3.48Å; M214-L279 HydrophobicContact SD-CB 4.5Å; M214-L279 HydrophobicContact SD-CD1 4.29Å; M214-L279 HydrophobicContact SD-CD2 3.28Å; M214-L279 WeakPolarHBondContact SD-CD2 3.49Å; M214-L279 HydrophobicContact SD-CG 3.39Å; M214-L279 WeakPolarHBondContact SD-CG 3.44Å; I215-L279 WeakPolarHBondContact O-CD1 3.13Å; R216-L279 HydrophobicContact CG-CD2 3.77Å; R275-L279 WeakPolarHBondContact O-CB 3.39Å; R275-L279 PolarHBondContact O-N 2.98Å; I276-L279 PolarHBondContact O-N 2.75Å; L279-D282 PolarHBondContact O-N 3.49Å; L279-Y283 VanDerWaalsContact O-CB 3.25Å; L279-Y283 WeakPolarHBondContact O-CB 3.15Å; L279-Y283 PolarHBondContact O-N 3.43Å |
| 280 | W | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.8 | -35.5 | 176.3 | -82.3 | 88.1 | 0 | 0 | 0 | 112.5 | W204 I207 V211 M214 P242 E245 L246 F249 I276 C278 Y283 L284 | W204-W280 AromaticContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CZ2 4.44Å; I207-W280 HydrophobicContact CD1-CZ3 4Å; V211-W280 HydrophobicContact CG1-CH2 3.95Å; V211-W280 HydrophobicContact CG1-CZ2 4.03Å; V211-W280 HydrophobicContact CG2-CH2 3.83Å; V211-W280 HydrophobicContact CG2-CZ3 4.49Å; M214-W280 HydrophobicContact CE-CD2 3.9Å; M214-W280 HydrophobicContact CE-CE3 4.1Å; M214-W280 HydrophobicContact CE-CG 4.43Å; M214-W280 HydrophobicContact CE-CH2 4Å; M214-W280 HydrophobicContact CE-CZ2 3.84Å; M214-W280 HydrophobicContact CE-CZ3 4.14Å; P242-W280 HydrophobicContact CB-CZ2 4.5Å; P242-W280 WeakPolarHBondContact O-CZ2 3.3Å; E245-W280 HydrophobicContact CB-CZ2 4.23Å; E245-W280 PolarHBondContact OE2-NE1 2.89Å; E245-W280 VanDerWaalsContact OE2-NE1 3.1Å; L246-W280 HydrophobicContact CB-CD2 4.4Å; L246-W280 HydrophobicContact CB-CE3 4.13Å; L246-W280 HydrophobicContact CB-CH2 3.83Å; L246-W280 HydrophobicContact CB-CZ2 4.05Å; L246-W280 HydrophobicContact CB-CZ3 3.85Å; L246-W280 HydrophobicContact CD1-CD2 4.48Å; L246-W280 HydrophobicContact CD1-CE3 3.66Å; L246-W280 HydrophobicContact CD1-CZ3 3.69Å; L246-W280 HydrophobicContact CG-CE3 4.47Å; L246-W280 HydrophobicContact CG-CZ3 4.21Å; F249-W280 HydrophobicContact CB-CB 3.79Å; F249-W280 HydrophobicContact CB-CG 4.19Å; F249-W280 HydrophobicContact CD1-CB 4.38Å; F249-W280 HydrophobicContact CD2-CB 3.76Å; F249-W280 HydrophobicContact CE2-CB 4.49Å; F249-W280 HydrophobicContact CG-CB 3.69Å; I276-W280 WeakPolarHBondContact O-CB 3.43Å; I276-W280 VanDerWaalsContact O-CD1 3.26Å; I276-W280 PolarHBondContact O-N 3Å; C278-W280 PolarHBondContact O-N 3.3Å; W280-Y283 AromaticContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CE1 4.36Å; W280-Y283 HydrophobicContact CH2-CE1 4.42Å; W280-Y283 AromaticContact CZ3-CD1 3.85Å; W280-Y283 HydrophobicContact CZ3-CD1 3.85Å; W280-Y283 AromaticContact CZ3-CE1 3.8Å; W280-Y283 HydrophobicContact CZ3-CE1 3.8Å; W280-L284 HydrophobicContact CE3-CD1 4.29Å; W280-L284 HydrophobicContact CE3-CG 4.23Å; W280-L284 VanDerWaalsContact O-CB 3.29Å; W280-L284 WeakPolarHBondContact O-CB 3.34Å; W280-L284 WeakPolarHBondContact O-CG 3.14Å; W280-L284 PolarHBondContact O-N 3.03Å |
| 281 | A | 93.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F249 I277 C278 Y285 L465 | F249-A281 HydrophobicContact CE2-CB 3.87Å; F249-A281 HydrophobicContact CZ-CB 4.49Å; I277-A281 VanDerWaalsContact O-CB 3.3Å; I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 3.23Å; C278-A281 PolarHBondContact O-N 3.05Å; A281-Y285 WeakPolarHBondContact O-CB 3.5Å; A281-Y285 PolarHBondContact O-N 3.47Å; A281-L465 HydrophobicContact CB-CD2 3.94Å |
| 282 | D | 92 | Very high | 91.8 | Very high | 59 Ų | 59 | 44 Ų | 44 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 178.7 | -73.7 | -19.1 | 0 | 0 | 0 | 111.7 | C278 L279 Y285 S286 K464 | C278-D282 WeakPolarHBondContact O-CB 3.3Å; C278-D282 PolarHBondContact O-N 2.94Å; L279-D282 PolarHBondContact O-N 3.49Å; D282-Y285 PolarHBondContact O-N 2.94Å; D282-S286 WeakPolarHBondContact O-CB 3.49Å; D282-S286 PolarHBondContact O-N 3.27Å; D282-S286 PolarHBondContact O-OG 2.88Å; D282-K464 WeakPolarHBondContact OD1-CD 3.36Å; D282-K464 WeakPolarHBondContact OD1-CE 3.41Å; D282-K464 IonicContact OD1-NZ 2.65Å; D282-K464 PolarHBondContact OD1-NZ 3.15Å; D282-K464 IonicContact OD2-NZ 2.79Å |
| 283 | Y | 93.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 179.8 | 168.1 | -105.6 | 0 | 0 | 0 | 112.3 | I207 S210 V211 M214 L279 W280 Y285 S286 L287 | I207-Y283 HydrophobicContact CD1-CE1 4.33Å; I207-Y283 PolarHBondContact O-OH 3.28Å; I207-Y283 VanDerWaalsContact O-OH 3.07Å; S210-Y283 PolarHBondContact OG-OH 3.15Å; V211-Y283 HydrophobicContact CG2-CE1 4.04Å; V211-Y283 WeakPolarHBondContact CG2-OH 3.35Å; M214-Y283 HydrophobicContact CE-CD1 3.38Å; M214-Y283 HydrophobicContact CE-CD2 3.96Å; M214-Y283 HydrophobicContact CE-CE1 3.99Å; M214-Y283 HydrophobicContact CE-CG 3.34Å; L279-Y283 VanDerWaalsContact O-CB 3.25Å; L279-Y283 WeakPolarHBondContact O-CB 3.15Å; L279-Y283 PolarHBondContact O-N 3.43Å; W280-Y283 AromaticContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CE1 4.36Å; W280-Y283 HydrophobicContact CH2-CE1 4.42Å; W280-Y283 AromaticContact CZ3-CD1 3.85Å; W280-Y283 HydrophobicContact CZ3-CD1 3.85Å; W280-Y283 AromaticContact CZ3-CE1 3.8Å; W280-Y283 HydrophobicContact CZ3-CE1 3.8Å; Y283-Y285 VanDerWaalsContact C-N 3.32Å; Y283-Y285 PolarHBondContact O-N 3.31Å; Y283-S286 PolarHBondContact O-N 3.24Å; Y283-L287 HydrophobicContact CE1-CD2 4.09Å; Y283-L287 WeakPolarHBondContact O-CB 3.32Å; Y283-L287 PolarHBondContact O-N 3.43Å |
| 284 | L | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 179 | -71 | 173.8 | 0 | 0 | 0 | 111.6 | F203 I207 L246 F249 W280 L288 V468 | F203-L284 HydrophobicContact CE1-CD2 4.37Å; F203-L284 HydrophobicContact CZ-CD2 4.02Å; I207-L284 HydrophobicContact CD1-CD2 4.19Å; L246-L284 HydrophobicContact CD1-CD1 4.18Å; F249-L284 HydrophobicContact CD1-CD1 3.74Å; F249-L284 HydrophobicContact CE1-CD1 3.43Å; F249-L284 VanDerWaalsContact CE1-CD1 3.43Å; F249-L284 HydrophobicContact CZ-CD1 4.2Å; W280-L284 HydrophobicContact CE3-CD1 4.29Å; W280-L284 HydrophobicContact CE3-CG 4.23Å; W280-L284 VanDerWaalsContact O-CB 3.29Å; W280-L284 WeakPolarHBondContact O-CB 3.34Å; W280-L284 WeakPolarHBondContact O-CG 3.14Å; W280-L284 PolarHBondContact O-N 3.03Å; L284-L288 HydrophobicContact CB-CD1 4.39Å; L284-L288 WeakPolarHBondContact O-CB 3.38Å; L284-L288 VanDerWaalsContact O-CG 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 2.85Å; L284-V468 HydrophobicContact CB-CG1 3.9Å; L284-V468 HydrophobicContact CB-CG2 3.86Å; L284-V468 HydrophobicContact CD1-CG1 4.03Å |
| 285 | Y | 94.6 | Very high | 92.2 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 30% | 0.302 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 174.7 | 178.5 | -97.5 | 0 | 0 | 0 | 111.2 | A281 D282 Y283 G289 K464 T467 | A281-Y285 WeakPolarHBondContact O-CB 3.5Å; A281-Y285 PolarHBondContact O-N 3.47Å; D282-Y285 PolarHBondContact O-N 2.94Å; Y283-Y285 VanDerWaalsContact C-N 3.32Å; Y283-Y285 PolarHBondContact O-N 3.31Å; Y285-G289 VanDerWaalsContact O-CA 3.31Å; Y285-G289 WeakPolarHBondContact O-CA 3.44Å; Y285-G289 PolarHBondContact O-N 2.8Å; Y285-K464 HydrophobicContact CD1-CG 4.17Å; Y285-K464 HydrophobicContact CD2-CB 3.93Å; Y285-K464 HydrophobicContact CD2-CG 3.95Å; Y285-K464 HydrophobicContact CE1-CG 4.48Å; Y285-K464 HydrophobicContact CE2-CG 4.26Å; Y285-K464 HydrophobicContact CG-CB 4.07Å; Y285-K464 HydrophobicContact CG-CG 3.89Å; Y285-T467 HydrophobicContact CD2-CG2 3.96Å; Y285-T467 HydrophobicContact CE2-CG2 3.8Å |
| 286 | S | 92.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 45 Ų | 45 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.8 | -45.5 | 176.8 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | D282 Y283 S290 | D282-S286 WeakPolarHBondContact O-CB 3.49Å; D282-S286 PolarHBondContact O-N 3.27Å; D282-S286 PolarHBondContact O-OG 2.88Å; Y283-S286 PolarHBondContact O-N 3.24Å; S286-S290 VanDerWaalsContact O-CB 3.24Å; S286-S290 WeakPolarHBondContact O-CB 3.48Å; S286-S290 PolarHBondContact O-N 3.49Å; S286-S290 PolarHBondContact O-OG 2.93Å |
| 287 | L | 93.2 | Very high | 92.4 | Very high | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -57.7 | -178.4 | 179.5 | 68.7 | 0 | 0 | 0 | 111 | I207 Y283 G289 S290 | I207-L287 HydrophobicContact CB-CD2 3.79Å; I207-L287 HydrophobicContact CG2-CD2 3.47Å; I207-L287 VanDerWaalsContact CG2-CD2 3.47Å; Y283-L287 HydrophobicContact CE1-CD2 4.09Å; Y283-L287 WeakPolarHBondContact O-CB 3.32Å; Y283-L287 PolarHBondContact O-N 3.43Å; L287-G289 VanDerWaalsContact C-N 3.34Å; L287-G289 PolarHBondContact O-N 2.79Å; L287-S290 PolarHBondContact O-N 2.79Å; L287-S290 PolarHBondContact O-OG 3.49Å |
| 288 | L | 93.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.2 | -33.1 | -176.8 | -58.4 | 176.2 | 0 | 0 | 0 | 111.5 | F203 L284 S290 L291 L471 L472 Y475 | F203-L288 HydrophobicContact CE2-CD2 4.29Å; L284-L288 HydrophobicContact CB-CD1 4.39Å; L284-L288 WeakPolarHBondContact O-CB 3.38Å; L284-L288 VanDerWaalsContact O-CG 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 2.85Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 3.31Å; L288-L291 HydrophobicContact CD2-CD1 4.09Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 PolarHBondContact O-N 3.41Å; L288-L471 HydrophobicContact CB-CB 4.02Å; L288-L471 HydrophobicContact CB-CD1 3.55Å; L288-L471 HydrophobicContact CB-CG 4.41Å; L288-L471 HydrophobicContact CD1-CB 3.95Å; L288-L472 HydrophobicContact CD1-CD2 4.03Å; L288-L472 HydrophobicContact CD1-CG 4.09Å; L288-Y475 HydrophobicContact CD2-CE2 3.97Å |
| 289 | G | 89.2 | Confident | 92.5 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 52% | 0.515 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.7 | -22.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y285 L287 L291 | Y285-G289 VanDerWaalsContact O-CA 3.31Å; Y285-G289 WeakPolarHBondContact O-CA 3.44Å; Y285-G289 PolarHBondContact O-N 2.8Å; L287-G289 VanDerWaalsContact C-N 3.34Å; L287-G289 PolarHBondContact O-N 2.79Å; G289-L291 VanDerWaalsContact C-N 3.28Å |
| 290 | S | 90.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 48.6 Ų | 48.6 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -14.7 | 172.7 | 73.3 | 0 | 0 | 0 | 0 | 113.5 | S286 L287 L288 | S286-S290 VanDerWaalsContact O-CB 3.24Å; S286-S290 WeakPolarHBondContact O-CB 3.48Å; S286-S290 PolarHBondContact O-N 3.49Å; S286-S290 PolarHBondContact O-OG 2.93Å; L287-S290 PolarHBondContact O-N 2.79Å; L287-S290 PolarHBondContact O-OG 3.49Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 3.31Å |
| 291 | L | 88.6 | Confident | 92.5 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.366 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -73.2 | 131.3 | 176.5 | -58.8 | 176.2 | 0 | 0 | 0 | 109.6 | L288 G289 I293 Y475 | L288-L291 HydrophobicContact CD2-CD1 4.09Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 PolarHBondContact O-N 3.41Å; G289-L291 VanDerWaalsContact C-N 3.28Å; L291-I293 VanDerWaalsContact C-N 3.28Å; L291-I293 HydrophobicContact CB-CG2 4.04Å; L291-I293 PolarHBondContact O-N 3.17Å; L291-Y475 VanDerWaalsContact CD1-OH 3.29Å; L291-Y475 WeakPolarHBondContact CD1-OH 3.5Å |
| 292 | C | 87.1 | Confident | 92.5 | Very high | 118 Ų | 118 | 57.6 Ų | 57.6 | 80% | 0.797 | 34% | 0.342 | S | S | * | . | trans | -72.6 | 88.6 | 168.1 | -166.9 | 0 | 0 | 0 | 0 | 108.9 | W294 | C292-W294 VanDerWaalsContact C-N 3.32Š| ||
| 293 | I | 92.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | trans | -83.8 | -9.3 | 179.3 | 56.6 | 160.8 | 0 | 0 | 0 | 113.3 | L291 I295 T360 L471 | L291-I293 VanDerWaalsContact C-N 3.28Å; L291-I293 HydrophobicContact CB-CG2 4.04Å; L291-I293 PolarHBondContact O-N 3.17Å; I293-I295 PolarHBondContact O-N 2.98Å; I293-T360 WeakPolarHBondContact O-CA 3.49Å; I293-T360 WeakPolarHBondContact O-CB 3.44Å; I293-L471 HydrophobicContact CD1-CD2 3.45Å; I293-L471 VanDerWaalsContact CD1-CD2 3.45Å; I293-L471 HydrophobicContact CG2-CD2 4.45Å | ||
| 294 | W | 94.9 | Very high | 92.4 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 13% | 0.125 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 120.8 | 172.8 | -172 | -102.7 | 0 | 0 | 0 | 108.8 | C292 Q315 V316 F361 L381 R384 L385 M389 | C292-W294 VanDerWaalsContact C-N 3.32Å; W294-Q315 HydrophobicContact CH2-CG 3.91Å; W294-Q315 HydrophobicContact CZ2-CG 3.69Å; W294-V316 HydrophobicContact CH2-CB 4.27Å; W294-V316 HydrophobicContact CH2-CG1 4.12Å; W294-V316 HydrophobicContact CZ3-CB 4.4Å; W294-V316 HydrophobicContact CZ3-CG2 4.45Å; W294-F361 HydrophobicContact CZ3-CB 4.39Å; W294-L381 HydrophobicContact CH2-CD1 3.8Å; W294-L381 HydrophobicContact CZ3-CD1 3.58Å; W294-R384 HydrophobicContact CD2-CB 4.36Å; W294-R384 HydrophobicContact CH2-CB 4.32Å; W294-R384 HydrophobicContact CZ2-CB 3.92Å; W294-L385 HydrophobicContact CH2-CD2 4Å; W294-L385 HydrophobicContact CZ2-CD2 4.2Å; W294-M389 HydrophobicContact CZ2-SD 4.41Å |
| 295 | I | 93.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 63 Ų | 63 | 22% | 0.221 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -94 | 137.1 | -174.6 | -56.7 | 175.3 | 0 | 0 | 0 | 108.8 | I293 A299 I300 Q315 A354 A358 T360 | I293-I295 PolarHBondContact O-N 2.98Å; I295-A299 HydrophobicContact CG2-CB 3.69Å; I295-I300 HydrophobicContact CB-CD1 3.93Å; I295-I300 HydrophobicContact CB-CG1 4.05Å; I295-I300 HydrophobicContact CD1-CD1 4.17Å; I295-I300 HydrophobicContact CG2-CD1 3.92Å; I295-I300 HydrophobicContact CG2-CG1 3.82Å; I295-Q315 PolarHBondContact O-NE2 3.41Å; I295-A354 HydrophobicContact CD1-CB 4.45Å; I295-A358 HydrophobicContact CD1-CB 4.49Å; I295-T360 HydrophobicContact CB-CG2 4.48Å; I295-T360 HydrophobicContact CD1-CG2 3.58Å; I295-T360 HydrophobicContact CG1-CG2 3.77Å |
| 296 | D | 93.6 | Very high | 92.1 | Very high | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -62 | 147.1 | 175.9 | -64.5 | -45.2 | 0 | 0 | 0 | 112.2 | D298 A299 I300 | D296-D298 VanDerWaalsContact C-N 3.26Å; D296-D298 PolarHBondContact O-N 3.37Å; D296-A299 PolarHBondContact O-N 3.11Å; D296-I300 PolarHBondContact O-N 2.79Å |
| 297 | A | 92.6 | Very high | 92 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.7 | -36.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I300 R301 Q315 M389 | A297-I300 PolarHBondContact O-N 3.22Å; A297-R301 WeakPolarHBondContact O-CB 3.26Å; A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.4Å; A297-R301 PolarHBondContact O-N 3.08Å; A297-Q315 VanDerWaalsContact CA-OE1 3.31Å; A297-M389 HydrophobicContact CB-CE 3.96Å; A297-M389 HydrophobicContact CB-CG 4.49Å |
| 298 | D | 92.8 | Very high | 91.9 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 62% | 0.62 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 175 | -74.1 | -50.5 | 0 | 0 | 0 | 112.7 | D296 R301 A302 | D296-D298 VanDerWaalsContact C-N 3.26Å; D296-D298 PolarHBondContact O-N 3.37Å; D298-R301 VanDerWaalsContact CG-NH2 3.28Å; D298-R301 PolarHBondContact O-N 3.15Å; D298-R301 IonicContact OD1-CZ 3.55Å; D298-R301 IonicContact OD1-NE 3.65Å; D298-R301 IonicContact OD1-NH2 3.76Å; D298-R301 PolarHBondContact OD1-NH2 2.75Å; D298-R301 IonicContact OD2-NH2 2.63Å; D298-A302 WeakPolarHBondContact O-CB 3.44Å; D298-A302 PolarHBondContact O-N 3.38Å |
| 299 | A | 93.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 72.7 Ų | 72.7 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I295 D296 A302 Q303 | I295-A299 HydrophobicContact CG2-CB 3.69Å; D296-A299 PolarHBondContact O-N 3.11Å; A299-A302 PolarHBondContact O-N 3.49Å; A299-Q303 PolarHBondContact O-N 2.91Å |
| 300 | I | 93.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 171.6 | -66.6 | -74.9 | 0 | 0 | 0 | 110.5 | I295 D296 A297 A302 Q303 L304 T314 A354 P355 | I295-I300 HydrophobicContact CB-CD1 3.93Å; I295-I300 HydrophobicContact CB-CG1 4.05Å; I295-I300 HydrophobicContact CD1-CD1 4.17Å; I295-I300 HydrophobicContact CG2-CD1 3.92Å; I295-I300 HydrophobicContact CG2-CG1 3.82Å; D296-I300 PolarHBondContact O-N 2.79Å; A297-I300 PolarHBondContact O-N 3.22Å; I300-A302 VanDerWaalsContact C-N 3.3Å; I300-A302 PolarHBondContact O-N 3Å; I300-Q303 CarbonylContact O-C 3.48Å; I300-Q303 PolarHBondContact O-N 3.08Å; I300-Q303 VanDerWaalsContact O-N 3.12Å; I300-L304 PolarHBondContact O-N 3.32Å; I300-T314 WeakPolarHBondContact CG2-O 3.41Å; I300-A354 HydrophobicContact CD1-CB 3.47Å; I300-A354 VanDerWaalsContact CD1-CB 3.47Å; I300-P355 HydrophobicContact CG2-CG 4Å |
| 301 | R | 92.3 | Very high | 91.9 | Very high | 103 Ų | 103 | 70.5 Ų | 70.5 | 39% | 0.389 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 179.3 | -75.9 | -174.4 | -70.1 | -101.6 | 9.2 | 112.3 | A297 D298 Q303 L304 | A297-R301 WeakPolarHBondContact O-CB 3.26Å; A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.4Å; A297-R301 PolarHBondContact O-N 3.08Å; D298-R301 VanDerWaalsContact CG-NH2 3.28Å; D298-R301 PolarHBondContact O-N 3.15Å; D298-R301 IonicContact OD1-CZ 3.55Å; D298-R301 IonicContact OD1-NE 3.65Å; D298-R301 IonicContact OD1-NH2 3.76Å; D298-R301 PolarHBondContact OD1-NH2 2.75Å; D298-R301 IonicContact OD2-NH2 2.63Å; R301-Q303 PolarHBondContact O-N 3.05Å; R301-L304 WeakPolarHBondContact O-CB 3.47Å; R301-L304 PolarHBondContact O-N 3.39Å |
| 302 | A | 93 | Very high | 92.1 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.4 | -25.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D298 A299 I300 | D298-A302 WeakPolarHBondContact O-CB 3.44Å; D298-A302 PolarHBondContact O-N 3.38Å; A299-A302 PolarHBondContact O-N 3.49Å; I300-A302 VanDerWaalsContact C-N 3.3Å; I300-A302 PolarHBondContact O-N 3Å |
| 303 | Q | 91.2 | Very high | 92.5 | Very high | 123 Ų | 123 | 66.9 Ų | 66.9 | 58% | 0.575 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 20 | -178.6 | -61.6 | -177.9 | -1.8 | 0 | 0 | 112.5 | A299 I300 R301 P305 | A299-Q303 PolarHBondContact O-N 2.91Å; I300-Q303 CarbonylContact O-C 3.48Å; I300-Q303 PolarHBondContact O-N 3.08Å; I300-Q303 VanDerWaalsContact O-N 3.12Å; R301-Q303 PolarHBondContact O-N 3.05Å; Q303-P305 WeakPolarHBondContact O-CD 3.27Å |
| 304 | L | 92.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 64.9 Ų | 64.9 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | trans | -68.4 | 123 | -175.2 | -170.1 | 73.2 | 0 | 0 | 0 | 110.5 | I300 R301 F308 P312 P355 | I300-L304 PolarHBondContact O-N 3.32Å; R301-L304 WeakPolarHBondContact O-CB 3.47Å; R301-L304 PolarHBondContact O-N 3.39Å; L304-F308 HydrophobicContact CD1-CB 3.66Å; L304-F308 HydrophobicContact CD1-CG 4.16Å; L304-F308 HydrophobicContact CD2-CB 4.06Å; L304-F308 HydrophobicContact CG-CB 3.8Å; L304-P312 HydrophobicContact CD2-CB 4.38Å; L304-P355 HydrophobicContact CD1-CB 3.7Å; L304-P355 HydrophobicContact CD1-CG 3.78Å | ||
| 305 | P | 92.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | trans | -66.9 | 152.1 | 176.4 | -19 | 31.8 | 0 | 0 | 0 | 112.2 | Q303 D307 F308 H356 | Q303-P305 WeakPolarHBondContact O-CD 3.27Å; P305-D307 PolarHBondContact O-N 3.29Å; P305-D307 VanDerWaalsContact O-N 3.12Å; P305-F308 HydrophobicContact CB-CD2 4.1Å; P305-F308 HydrophobicContact CG-CD2 4.13Å; P305-F308 HydrophobicContact CG-CE2 4.39Å; P305-F308 WeakPolarHBondContact O-CB 3.34Å; P305-F308 PolarHBondContact O-N 2.82Å; P305-H356 HydrophobicContact CG-CB 4.31Å | ||
| 306 | E | 90.7 | Very high | 92.7 | Very high | 118 Ų | 118 | 61.4 Ų | 61.4 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -62.6 | -25 | -175.4 | -59.5 | -70.4 | -146.5 | 0 | 0 | 113.9 | F308 R309 | E306-F308 PolarHBondContact O-N 2.88Å; E306-R309 WeakPolarHBondContact O-CB 3.2Å; E306-R309 WeakPolarHBondContact O-CD 3.49Å; E306-R309 WeakPolarHBondContact O-CG 3.44Å; E306-R309 PolarHBondContact O-N 3.44Å; E306-R309 IonicContact OE1-CZ 2.77Å; E306-R309 IonicContact OE1-NE 3.65Å; E306-R309 IonicContact OE1-NH2 2.63Å; E306-R309 PolarHBondContact OE1-NH2 2.95Å; E306-R309 IonicContact OE2-CZ 3.54Å; E306-R309 IonicContact OE2-NE 2.94Å; E306-R309 PolarHBondContact OE2-NE 3.44Å; E306-R309 IonicContact OE2-NH2 3.47Å; E306-R309 PolarHBondContact OE2-NH2 2.88Å |
| 307 | D | 89.9 | Confident | 92.8 | Very high | 114 Ų | 114 | 55.7 Ų | 55.7 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -65 | -21 | 175.5 | -63.1 | -32.3 | 0 | 0 | 0 | 112.3 | P305 L433 | P305-D307 PolarHBondContact O-N 3.29Å; P305-D307 VanDerWaalsContact O-N 3.12Å; D307-L433 HydrophobicContact CB-CD2 3.64Å |
| 308 | F | 91.9 | Very high | 93 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -93.4 | 10.2 | 177.5 | -69.1 | -95.9 | 0 | 0 | 0 | 113.7 | L304 P305 E306 D310 F311 T314 I317 P355 M392 L433 H436 | L304-F308 HydrophobicContact CD1-CB 3.66Å; L304-F308 HydrophobicContact CD1-CG 4.16Å; L304-F308 HydrophobicContact CD2-CB 4.06Å; L304-F308 HydrophobicContact CG-CB 3.8Å; P305-F308 HydrophobicContact CB-CD2 4.1Å; P305-F308 HydrophobicContact CG-CD2 4.13Å; P305-F308 HydrophobicContact CG-CE2 4.39Å; P305-F308 WeakPolarHBondContact O-CB 3.34Å; P305-F308 PolarHBondContact O-N 2.82Å; E306-F308 PolarHBondContact O-N 2.88Å; F308-D310 PolarHBondContact O-N 2.93Å; F308-D310 VanDerWaalsContact O-N 3.12Å; F308-F311 CarbonylContact O-C 3.42Å; F308-F311 WeakPolarHBondContact O-CA 3.44Å; F308-F311 PolarHBondContact O-N 2.88Å; F308-T314 HydrophobicContact CD1-CG2 4.27Å; F308-T314 HydrophobicContact CE1-CG2 4.22Å; F308-I317 HydrophobicContact CE1-CD1 3.74Å; F308-I317 HydrophobicContact CE1-CG1 4.29Å; F308-I317 HydrophobicContact CZ-CD1 3.48Å; F308-I317 VanDerWaalsContact CZ-CD1 3.48Å; F308-I317 HydrophobicContact CZ-CG1 4.49Å; F308-P355 HydrophobicContact CD1-CB 4.07Å; F308-P355 HydrophobicContact CD1-CG 4.4Å; F308-P355 HydrophobicContact CD2-CB 3.87Å; F308-P355 HydrophobicContact CE1-CB 4.06Å; F308-P355 HydrophobicContact CE1-CG 4.43Å; F308-P355 HydrophobicContact CE2-CB 3.84Å; F308-P355 HydrophobicContact CG-CB 4Å; F308-P355 HydrophobicContact CZ-CB 3.96Å; F308-M392 HydrophobicContact CD1-CE 4.47Å; F308-M392 HydrophobicContact CE1-CE 4.19Å; F308-L433 HydrophobicContact CD1-CD1 3.88Å; F308-L433 HydrophobicContact CD1-CD2 4.37Å; F308-L433 HydrophobicContact CD2-CD2 4.04Å; F308-L433 HydrophobicContact CE1-CB 3.98Å; F308-L433 HydrophobicContact CE1-CD1 3.94Å; F308-L433 HydrophobicContact CE1-CD2 4.13Å; F308-L433 HydrophobicContact CE1-CG 4.23Å; F308-L433 HydrophobicContact CE2-CD2 3.79Å; F308-L433 HydrophobicContact CG-CD1 4.34Å; F308-L433 HydrophobicContact CG-CD2 4.3Å; F308-L433 HydrophobicContact CZ-CB 4Å; F308-L433 HydrophobicContact CZ-CD1 4.45Å; F308-L433 HydrophobicContact CZ-CD2 3.8Å; F308-L433 HydrophobicContact CZ-CG 4.29Å; F308-H436 AromaticContact CE2-CE1 3.84Å |
| 309 | R | 89.7 | Confident | 92.8 | Very high | 170 Ų | 170 | 50 Ų | 50 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -36.7 | 177.5 | -82.1 | 171.3 | -179.2 | -172.3 | 4.3 | 113.9 | E306 F311 | E306-R309 WeakPolarHBondContact O-CB 3.2Å; E306-R309 WeakPolarHBondContact O-CD 3.49Å; E306-R309 WeakPolarHBondContact O-CG 3.44Å; E306-R309 PolarHBondContact O-N 3.44Å; E306-R309 IonicContact OE1-CZ 2.77Å; E306-R309 IonicContact OE1-NE 3.65Å; E306-R309 IonicContact OE1-NH2 2.63Å; E306-R309 PolarHBondContact OE1-NH2 2.95Å; E306-R309 IonicContact OE2-CZ 3.54Å; E306-R309 IonicContact OE2-NE 2.94Å; E306-R309 PolarHBondContact OE2-NE 3.44Å; E306-R309 IonicContact OE2-NH2 3.47Å; E306-R309 PolarHBondContact OE2-NH2 2.88Å; R309-F311 PolarHBondContact O-N 3.05Å |
| 310 | D | 90.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 49.6 Ų | 49.6 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -7.9 | 177.9 | -62 | -63.7 | 0 | 0 | 0 | 113.6 | F308 K429 | F308-D310 PolarHBondContact O-N 2.93Å; F308-D310 VanDerWaalsContact O-N 3.12Å; D310-K429 IonicContact OD1-NZ 2.93Å; D310-K429 PolarHBondContact OD1-NZ 3.31Å; D310-K429 VanDerWaalsContact OD2-CD 3.32Å; D310-K429 WeakPolarHBondContact OD2-CD 3.49Å; D310-K429 WeakPolarHBondContact OD2-CE 3.44Å; D310-K429 IonicContact OD2-NZ 2.78Å; D310-K429 PolarHBondContact OD2-NZ 3.37Å |
| 311 | F | 92.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | trans | -137.1 | 56.7 | -175 | -50.4 | -84.9 | 0 | 0 | 0 | 111.4 | F308 R309 D313 T314 M392 Y408 Q426 K429 V430 L433 | F308-F311 CarbonylContact O-C 3.42Å; F308-F311 WeakPolarHBondContact O-CA 3.44Å; F308-F311 PolarHBondContact O-N 2.88Å; R309-F311 PolarHBondContact O-N 3.05Å; F311-D313 PolarHBondContact O-N 3.45Å; F311-T314 VanDerWaalsContact CB-OG1 3.23Å; F311-T314 WeakPolarHBondContact CB-OG1 3.25Å; F311-T314 WeakPolarHBondContact O-CB 3.43Å; F311-T314 PolarHBondContact O-N 2.9Å; F311-T314 VanDerWaalsContact O-N 3.12Å; F311-T314 PolarHBondContact O-OG1 3.49Å; F311-M392 HydrophobicContact CB-CE 4.32Å; F311-M392 HydrophobicContact CD1-CE 4.27Å; F311-M392 HydrophobicContact CD2-CE 4.32Å; F311-M392 HydrophobicContact CG-CE 4.05Å; F311-Y408 HydrophobicContact CB-CD2 4.32Å; F311-Y408 HydrophobicContact CB-CE2 3.89Å; F311-Y408 AromaticContact CD1-CD1 3.56Å; F311-Y408 HydrophobicContact CD1-CD1 3.56Å; F311-Y408 AromaticContact CD1-CD2 3.87Å; F311-Y408 HydrophobicContact CD1-CD2 3.87Å; F311-Y408 AromaticContact CD1-CE1 3.5Å; F311-Y408 HydrophobicContact CD1-CE1 3.5Å; F311-Y408 VanDerWaalsContact CD1-CE1 3.5Å; F311-Y408 AromaticContact CD1-CE2 3.81Å; F311-Y408 HydrophobicContact CD1-CE2 3.81Å; F311-Y408 AromaticContact CD1-CG 3.73Å; F311-Y408 HydrophobicContact CD1-CG 3.73Å; F311-Y408 AromaticContact CD1-CZ 3.62Å; F311-Y408 AromaticContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CE1 4.01Å; F311-Y408 HydrophobicContact CE1-CG 4.21Å; F311-Y408 HydrophobicContact CG-CE2 4.35Å; F311-Q426 HydrophobicContact CE1-CG 4.42Å; F311-Q426 HydrophobicContact CZ-CG 4.28Å; F311-K429 HydrophobicContact CE2-CB 3.92Å; F311-K429 HydrophobicContact CZ-CB 4.08Å; F311-V430 HydrophobicContact CE1-CG2 3.62Å; F311-V430 HydrophobicContact CE2-CG2 4.49Å; F311-V430 HydrophobicContact CZ-CG2 3.53Å; F311-L433 HydrophobicContact CD2-CD1 3.35Å; F311-L433 HydrophobicContact CE2-CD1 3.57Å; F311-L433 HydrophobicContact CG-CD1 4.33Å | ||
| 312 | P | 92.9 | Very high | 92.2 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18 | -166.4 | 29.7 | -37.6 | 0 | 0 | 0 | 115.1 | L304 | L304-P312 HydrophobicContact CD2-CB 4.38Š|
| 313 | D | 94.5 | Very high | 91.8 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 3.6 | 178.9 | 53.4 | -13.9 | 0 | 0 | 0 | 112.9 | F311 Q315 A390 K406 Y408 | F311-D313 PolarHBondContact O-N 3.45Å; D313-Q315 PolarHBondContact O-N 3.42Å; D313-A390 HydrophobicContact CB-CB 4.17Å; D313-A390 WeakPolarHBondContact O-CB 3.44Å; D313-A390 PolarHBondContact O-N 2.87Å; D313-K406 WeakPolarHBondContact OD2-CD 3.41Å; D313-K406 IonicContact OD2-NZ 3.75Å; D313-Y408 VanDerWaalsContact OD1-CE2 3.22Å; D313-Y408 WeakPolarHBondContact OD1-CE2 3.23Å; D313-Y408 VanDerWaalsContact OD1-CZ 3.28Å; D313-Y408 PolarHBondContact OD1-OH 3.45Å; D313-Y408 PolarHBondContact OD2-OH 3.39Å |
| 314 | T | 95.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 107.9 | -179 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | I300 F308 F311 I317 P355 M392 | I300-T314 WeakPolarHBondContact CG2-O 3.41Å; F308-T314 HydrophobicContact CD1-CG2 4.27Å; F308-T314 HydrophobicContact CE1-CG2 4.22Å; F311-T314 VanDerWaalsContact CB-OG1 3.23Å; F311-T314 WeakPolarHBondContact CB-OG1 3.25Å; F311-T314 WeakPolarHBondContact O-CB 3.43Å; F311-T314 PolarHBondContact O-N 2.9Å; F311-T314 VanDerWaalsContact O-N 3.12Å; F311-T314 PolarHBondContact O-OG1 3.49Å; T314-I317 HydrophobicContact CG2-CG1 4.27Å; T314-P355 HydrophobicContact CG2-CG 4.1Å; T314-P355 WeakPolarHBondContact O-CG 3.49Å; T314-M392 HydrophobicContact CG2-CB 4.2Å; T314-M392 HydrophobicContact CG2-CE 4.39Å |
| 315 | Q | 95.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -44.2 | 176.8 | 178.6 | 61.6 | 27.3 | 0 | 0 | 111.4 | W294 I295 A297 D313 L385 M389 A390 | W294-Q315 HydrophobicContact CH2-CG 3.91Å; W294-Q315 HydrophobicContact CZ2-CG 3.69Å; I295-Q315 PolarHBondContact O-NE2 3.41Å; A297-Q315 VanDerWaalsContact CA-OE1 3.31Å; D313-Q315 PolarHBondContact O-N 3.42Å; Q315-L385 HydrophobicContact CG-CD2 4.38Å; Q315-M389 HydrophobicContact CB-CB 3.93Å; Q315-M389 HydrophobicContact CB-CG 4.05Å; Q315-M389 HydrophobicContact CB-SD 4.22Å; Q315-M389 HydrophobicContact CG-CB 4.47Å; Q315-M389 HydrophobicContact CG-CG 4.17Å; Q315-M389 HydrophobicContact CG-SD 3.73Å; Q315-A390 PolarHBondContact N-O 3.26Å |
| 316 | V | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 140 | -172.7 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | W294 V318 L385 V391 M392 | W294-V316 HydrophobicContact CH2-CB 4.27Å; W294-V316 HydrophobicContact CH2-CG1 4.12Å; W294-V316 HydrophobicContact CZ3-CB 4.4Å; W294-V316 HydrophobicContact CZ3-CG2 4.45Å; V316-V318 HydrophobicContact CG1-CG2 4.17Å; V316-V318 HydrophobicContact CG2-CG2 4.4Å; V316-L385 HydrophobicContact CG1-CD2 4.11Å; V316-V391 HydrophobicContact CG1-CB 4.3Å; V316-V391 HydrophobicContact CG1-CG2 3.78Å; V316-V391 WeakPolarHBondContact O-CA 3.25Å; V316-M392 PolarHBondContact O-N 2.94Å |
| 317 | I | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.5 | 172 | -46.1 | 166.7 | 0 | 0 | 0 | 107 | F308 T314 V353 M392 H436 V437 | F308-I317 HydrophobicContact CE1-CD1 3.74Å; F308-I317 HydrophobicContact CE1-CG1 4.29Å; F308-I317 HydrophobicContact CZ-CD1 3.48Å; F308-I317 VanDerWaalsContact CZ-CD1 3.48Å; F308-I317 HydrophobicContact CZ-CG1 4.49Å; T314-I317 HydrophobicContact CG2-CG1 4.27Å; I317-V353 PolarHBondContact N-O 3.01Å; I317-V353 PolarHBondContact O-N 2.91Å; I317-M392 CarbonylContact C-O 3.58Å; I317-M392 WeakPolarHBondContact CA-O 3.44Å; I317-M392 HydrophobicContact CB-CB 4.49Å; I317-M392 HydrophobicContact CG1-CB 4.3Å; I317-M392 HydrophobicContact CG2-CB 4.26Å; I317-M392 HydrophobicContact CG2-CG 4.37Å; I317-M392 HydrophobicContact CG2-SD 4.46Å; I317-H436 HydrophobicContact CD1-CB 3.91Å; I317-V437 HydrophobicContact CB-CB 4.29Å; I317-V437 HydrophobicContact CG2-CB 3.84Å; I317-V437 HydrophobicContact CG2-CG1 3.6Å |
| 318 | V | 95 | Very high | 87 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.3 | -171 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | V316 L350 M351 F376 L381 V391 M392 V393 F397 | V316-V318 HydrophobicContact CG1-CG2 4.17Å; V316-V318 HydrophobicContact CG2-CG2 4.4Å; V318-L350 HydrophobicContact CG1-CD1 3.35Å; V318-L350 HydrophobicContact CG1-CD2 4.02Å; V318-L350 HydrophobicContact CG1-CG 3.66Å; V318-M351 WeakPolarHBondContact CA-O 3.47Å; V318-F376 HydrophobicContact CG1-CD2 4.43Å; V318-F376 HydrophobicContact CG2-CE2 4.33Å; V318-L381 HydrophobicContact CG2-CD2 3.66Å; V318-V391 HydrophobicContact CG2-CG2 3.59Å; V318-M392 PolarHBondContact N-O 3.44Å; V318-V393 HydrophobicContact CB-CG1 4.2Å; V318-V393 HydrophobicContact CG2-CG1 4.49Å; V318-F397 HydrophobicContact CG1-CE1 4.15Å; V318-F397 HydrophobicContact CG1-CZ 4.12Å |
| 319 | G | 90.3 | Very high | 85.1 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 156.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | M351 | G319-M351 PolarHBondContact N-O 2.92Å; G319-M351 PolarHBondContact O-N 3.19Å |
| 320 | C | 89.8 | Confident | 83.3 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 110.4 | G349 D372 L375 F397 | C320-G349 CarbonylContact C-O 3.54Å; C320-G349 WeakPolarHBondContact CA-O 3.36Å; C320-D372 PolarHBondContact SG-OD1 3.14Å; C320-L375 VanDerWaalsContact SG-CD2 3.56Å; C320-F397 WeakPolarHBondContact SG-CZ 3.28Å |
| 321 | S | 87.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140 | 166.4 | -164.5 | 0 | 0 | 0 | 0 | 110 | R348 G349 K445 | S321-R348 CarbonylContact O-C 3.51Å; S321-R348 VanDerWaalsContact O-CA 3.32Å; S321-R348 WeakPolarHBondContact O-CA 3.35Å; S321-G349 PolarHBondContact N-O 2.92Å; S321-G349 PolarHBondContact O-N 3.49Å; S321-K445 WeakPolarHBondContact OG-CE 3.3Å |
| 322 | E | 88.4 | Confident | 79.4 | Confident | 99 Ų | 99 | 41.8 Ų | 41.8 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.4 | 177.2 | -49.3 | -164.3 | 147.5 | 0 | 0 | 109.5 | V346 M347 R348 | E322-V346 HydrophobicContact CB-CG1 3.98Å; E322-M347 CarbonylContact C-O 3.56Å; E322-M347 WeakPolarHBondContact CA-O 3.49Å; E322-R348 HydrophobicContact CG-CG 4.11Å; E322-R348 IonicContact OE1-CZ 2.73Å; E322-R348 IonicContact OE1-NE 3.55Å |
| 323 | L | 85.5 | Confident | 77 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 142.4 | 176.7 | -57 | -179.9 | 0 | 0 | 0 | 109.5 | V346 M347 L365 F450 I454 I462 F466 | L323-V346 CarbonylContact O-C 3.59Å; L323-V346 WeakPolarHBondContact O-CA 3.12Å; L323-M347 PolarHBondContact N-O 3.09Å; L323-M347 PolarHBondContact O-N 2.7Å; L323-L365 HydrophobicContact CD1-CD1 3.75Å; L323-L365 HydrophobicContact CD1-CD2 3.97Å; L323-F450 HydrophobicContact CD1-CD1 4.31Å; L323-F450 HydrophobicContact CD1-CE1 4.41Å; L323-F450 HydrophobicContact CD2-CB 3.82Å; L323-F450 HydrophobicContact CD2-CD1 3.83Å; L323-F450 HydrophobicContact CD2-CD2 4.44Å; L323-F450 HydrophobicContact CD2-CG 3.77Å; L323-I454 HydrophobicContact CB-CD1 4.33Å; L323-I462 HydrophobicContact CD1-CD1 4.26Å; L323-I462 HydrophobicContact CD1-CG1 4.2Å; L323-F466 HydrophobicContact CD1-CB 4.07Å; L323-F466 HydrophobicContact CD1-CD2 3.69Å; L323-F466 HydrophobicContact CD1-CE2 4.41Å; L323-F466 HydrophobicContact CD1-CG 4.03Å; L323-F466 HydrophobicContact CD2-CD2 4.28Å; L323-F466 HydrophobicContact CG-CD2 4.29Å |
| 324 | R | 83.4 | Confident | 74.6 | Confident | 148 Ų | 148 | 52.6 Ų | 52.6 | 56% | 0.558 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.6 | 176.7 | -59.8 | -172.5 | -170.3 | 109.9 | -0.1 | 110.5 | I454 | R324-I454 PolarHBondContact O-N 2.68Å |
| 325 | C | 76.3 | Confident | 71.9 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.6 | -177.9 | -61.9 | 0 | 0 | 0 | 0 | 111 | Q344 C345 | C325-Q344 WeakPolarHBondContact O-CA 3.31Å; C325-C345 PolarHBondContact N-O 3.32Å; C325-C345 PolarHBondContact O-N 2.68Å |
| 326 | Q | 72.9 | Confident | 69.3 | Low | 92 Ų | 92 | 64.2 Ų | 64.2 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 132.9 | 167.1 | -67.1 | -174.9 | -8.9 | 0 | 0 | 109 | P328 V453 I454 | Q326-P328 WeakPolarHBondContact O-CD 3.45Å; Q326-V453 HydrophobicContact CB-CG1 4.32Å; Q326-V453 HydrophobicContact CG-CB 4.33Å; Q326-V453 HydrophobicContact CG-CG1 3.47Å; Q326-V453 VanDerWaalsContact CG-CG1 3.47Å; Q326-I454 WeakPolarHBondContact CG-O 3.33Å; Q326-I454 PolarHBondContact N-O 3.32Å |
| 327 | T | 64.1 | Low | 67 | Low | 33 Ų | 33 | 72 Ų | 72 | 20% | 0.202 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 124.8 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | A331 L332 S343 | T327-A331 HydrophobicContact CG2-CB 3.95Å; T327-L332 HydrophobicContact CG2-CD2 3.93Å; T327-L332 HydrophobicContact CG2-CG 4.36Å; T327-S343 WeakPolarHBondContact CB-O 3.36Å; T327-S343 PolarHBondContact N-O 3.02Å; T327-S343 VanDerWaalsContact OG1-C 3.25Å; T327-S343 PolarHBondContact OG1-O 3.04Å; T327-S343 PolarHBondContact OG1-OG 2.76Å |
| 328 | P | 58.9 | Low | 64.2 | Low | 51 Ų | 51 | 77 Ų | 77 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 141.6 | 176.2 | 23 | -29.7 | 0 | 0 | 0 | 110.1 | Q326 S330 A331 | Q326-P328 WeakPolarHBondContact O-CD 3.45Å; P328-S330 PolarHBondContact O-N 3.2Å; P328-A331 HydrophobicContact CG-CB 4.16Å; P328-A331 PolarHBondContact O-N 2.98Å |
| 329 | A | 52.6 | Low | 61.3 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 55% | 0.554 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -58.4 | -26.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L332 F333 | A329-L332 WeakPolarHBondContact O-CB 3.48Å; A329-L332 PolarHBondContact O-N 3.29Å; A329-F333 WeakPolarHBondContact O-CD2 3.43Å; A329-F333 VanDerWaalsContact O-CE2 3.27Å; A329-F333 WeakPolarHBondContact O-CE2 3.36Å |
| 330 | S | 52.5 | Low | 58.9 | Low | 85 Ų | 85 | 92 Ų | 92 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -68.1 | -28.9 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | P328 L332 | P328-S330 PolarHBondContact O-N 3.2Å; S330-L332 VanDerWaalsContact C-N 3.3Å |
| 331 | A | 49.8 | Very low | 56.6 | Low | 48 Ų | 48 | 94.6 Ų | 94.6 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -78.4 | -16.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T327 P328 F333 | T327-A331 HydrophobicContact CG2-CB 3.95Å; P328-A331 HydrophobicContact CG-CB 4.16Å; P328-A331 PolarHBondContact O-N 2.98Å; A331-F333 PolarHBondContact O-N 2.87Å |
| 332 | L | 50.6 | Low | 54.7 | Low | 86 Ų | 86 | 104.7 Ų | 104.7 | 45% | 0.45 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -73.9 | -13.4 | 177.3 | -60.2 | 175.5 | 0 | 0 | 0 | 113.1 | T327 A329 S330 H334 S343 | T327-L332 HydrophobicContact CG2-CD2 3.93Å; T327-L332 HydrophobicContact CG2-CG 4.36Å; A329-L332 WeakPolarHBondContact O-CB 3.48Å; A329-L332 PolarHBondContact O-N 3.29Å; S330-L332 VanDerWaalsContact C-N 3.3Å; L332-H334 VanDerWaalsContact C-N 3.35Å; L332-S343 WeakPolarHBondContact CD2-OG 3.46Å |
| 333 | F | 42 | Very low | 53.3 | Low | 169 Ų | 169 | 102.1 Ų | 102.1 | 74% | 0.741 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -81.7 | -9 | -179.7 | -65 | -74.1 | 0 | 0 | 0 | 114 | A329 A331 | A329-F333 WeakPolarHBondContact O-CD2 3.43Å; A329-F333 VanDerWaalsContact O-CE2 3.27Å; A329-F333 WeakPolarHBondContact O-CE2 3.36Å; A331-F333 PolarHBondContact O-N 2.87Å |
| 334 | H | 43.3 | Very low | 52.5 | Low | 171 Ų | 171 | 107.8 Ų | 107.8 | 79% | 0.792 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -103.4 | -6.5 | 179.4 | -74 | -65.5 | 0 | 0 | 0 | 114.5 | L332 | L332-H334 VanDerWaalsContact C-N 3.35Š|
| 335 | T | 39.2 | Very low | 52.2 | Low | 104 Ų | 104 | 102.6 Ų | 102.6 | 64% | 0.638 | 56% | 0.564 | S | S | * | * | trans | -103.3 | 81.3 | 174.5 | 41.7 | 0 | 0 | 0 | 0 | 110 | M337 | T335-M337 PolarHBondContact O-N 3.45Š| ||
| 336 | D | 41.8 | Very low | 52.7 | Low | 143 Ų | 143 | 104.6 Ų | 104.6 | 77% | 0.765 | 58% | 0.576 | S | S | * | * | trans | -63.8 | 124.3 | 159.4 | -87.2 | -34.5 | 0 | 0 | 0 | 108.7 | ||||
| 337 | M | 47.4 | Very low | 53.5 | Low | 164 Ų | 164 | 102.3 Ų | 102.3 | 81% | 0.808 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 75.8 | 67.3 | 164.7 | -51.5 | -62.6 | 103.5 | 0 | 0 | 118.4 | T335 | T335-M337 PolarHBondContact O-N 3.45Š|
| 338 | S | 36.5 | Very low | 54.8 | Low | 105 Ų | 105 | 102.4 Ų | 102.4 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | trans | -166.5 | 115.2 | 140 | -178.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 339 | S | 35.3 | Very low | 56.4 | Low | 100 Ų | 100 | 100 Ų | 100 | 70% | 0.699 | 55% | 0.547 | S | S | * | . | trans | 51.5 | 133.6 | 150.5 | 75.7 | 0 | 0 | 0 | 0 | 121.7 | S341 | S339-S341 VanDerWaalsContact C-N 3.33Å; S339-S341 PolarHBondContact O-N 2.87Å | ||
| 340 | K | 39.2 | Very low | 58.4 | Low | 224 Ų | 224 | 96.8 Ų | 96.8 | 97% | 0.974 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -63 | 74.8 | 177.1 | -64.9 | 168.2 | 177 | 171.5 | 0 | 113.2 | ||
| 341 | S | 40.2 | Very low | 60.4 | Low | 86 Ų | 86 | 92.8 Ų | 92.8 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | trans | -125.5 | 137.8 | 157.8 | 78.8 | 0 | 0 | 0 | 0 | 108.7 | S339 S343 | S339-S341 VanDerWaalsContact C-N 3.33Å; S339-S341 PolarHBondContact O-N 2.87Å; S341-S343 PolarHBondContact O-N 3.46Å | ||
| 342 | K | 47.9 | Very low | 62.6 | Low | 212 Ų | 212 | 90.5 Ų | 90.5 | 92% | 0.922 | 47% | 0.473 | S | S | * | . | trans | -62.9 | 91.7 | 167.7 | -70.7 | 176.8 | 178 | 179.9 | 0 | 106.3 | Q344 | K342-Q344 PolarHBondContact O-N 3.17Š| ||
| 343 | S | 60 | Low | 64.7 | Low | 46 Ų | 46 | 86.4 Ų | 86.4 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 126.2 | -170.7 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | T327 L332 S341 | T327-S343 WeakPolarHBondContact CB-O 3.36Å; T327-S343 PolarHBondContact N-O 3.02Å; T327-S343 VanDerWaalsContact OG1-C 3.25Å; T327-S343 PolarHBondContact OG1-O 3.04Å; T327-S343 PolarHBondContact OG1-OG 2.76Å; L332-S343 WeakPolarHBondContact CD2-OG 3.46Å; S341-S343 PolarHBondContact O-N 3.46Å |
| 344 | Q | 68.3 | Low | 67.2 | Low | 121 Ų | 121 | 78.3 Ų | 78.3 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 140.2 | 169.1 | -65.8 | 173.5 | -3.2 | 0 | 0 | 107 | C325 K342 V453 | C325-Q344 WeakPolarHBondContact O-CA 3.31Å; K342-Q344 PolarHBondContact O-N 3.17Å; Q344-V453 HydrophobicContact CG-CG1 4.32Å |
| 345 | C | 78 | Confident | 69.6 | Low | 40 Ų | 40 | 70.2 Ų | 70.2 | 27% | 0.27 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.3 | 172 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | C325 | C325-C345 PolarHBondContact N-O 3.32Å; C325-C345 PolarHBondContact O-N 2.68Å |
| 346 | V | 86.3 | Confident | 72.1 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 30% | 0.303 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.4 | 173.1 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | E322 L323 R348 G368 | E322-V346 HydrophobicContact CB-CG1 3.98Å; L323-V346 CarbonylContact O-C 3.59Å; L323-V346 WeakPolarHBondContact O-CA 3.12Å; V346-R348 HydrophobicContact CG1-CG 4.44Å; V346-G368 WeakPolarHBondContact O-CA 3.46Å; V346-G368 PolarHBondContact O-N 2.81Å |
| 347 | M | 89.1 | Confident | 74.4 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 22% | 0.217 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 140.5 | 169.7 | -62.4 | -170.3 | 83.7 | 0 | 0 | 109.8 | E322 L323 L365 Y366 I462 | E322-M347 CarbonylContact C-O 3.56Å; E322-M347 WeakPolarHBondContact CA-O 3.49Å; L323-M347 PolarHBondContact N-O 3.09Å; L323-M347 PolarHBondContact O-N 2.7Å; M347-L365 HydrophobicContact CB-CB 4.3Å; M347-L365 HydrophobicContact CE-CB 3.64Å; M347-L365 HydrophobicContact CE-CD1 4.42Å; M347-L365 HydrophobicContact SD-CB 4.47Å; M347-L365 HydrophobicContact SD-CD1 4.34Å; M347-Y366 CarbonylContact C-O 3.52Å; M347-Y366 WeakPolarHBondContact CA-O 3.39Å; M347-I462 HydrophobicContact CE-CG2 4.44Å; M347-I462 HydrophobicContact SD-CG2 3.83Å |
| 348 | R | 90.9 | Very high | 76.5 | Confident | 35 Ų | 35 | 54 Ų | 54 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.1 | -178.5 | -68 | 174.2 | 75.8 | 163.6 | 8.6 | 110.6 | S321 E322 V346 L365 Y366 G368 V370 D372 L375 | S321-R348 CarbonylContact O-C 3.51Å; S321-R348 VanDerWaalsContact O-CA 3.32Å; S321-R348 WeakPolarHBondContact O-CA 3.35Å; E322-R348 HydrophobicContact CG-CG 4.11Å; E322-R348 IonicContact OE1-CZ 2.73Å; E322-R348 IonicContact OE1-NE 3.55Å; V346-R348 HydrophobicContact CG1-CG 4.44Å; R348-L365 CarbonylContact O-C 3.59Å; R348-L365 WeakPolarHBondContact O-CA 3.34Å; R348-Y366 PolarHBondContact N-O 3.33Å; R348-Y366 PolarHBondContact O-N 3.13Å; R348-G368 WeakPolarHBondContact CD-O 3.36Å; R348-G368 PolarHBondContact NH1-O 3Å; R348-V370 PolarHBondContact NH1-O 2.9Å; R348-D372 IonicContact CZ-OD1 3.53Å; R348-D372 VanDerWaalsContact NH2-CG 3.35Å; R348-D372 IonicContact NH2-OD1 3.79Å; R348-D372 PolarHBondContact NH2-OD1 3.21Å; R348-D372 IonicContact NH2-OD2 3.57Å; R348-L375 HydrophobicContact CB-CD2 4.14Å |
| 349 | G | 92.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | C320 S321 | C320-G349 CarbonylContact C-O 3.54Å; C320-G349 WeakPolarHBondContact CA-O 3.36Å; S321-G349 PolarHBondContact N-O 2.92Å; S321-G349 PolarHBondContact O-N 3.49Å |
| 350 | L | 94.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137.7 | 173.5 | -161.8 | 75.1 | 0 | 0 | 0 | 109.8 | V318 F361 S363 L375 F376 S379 L381 F397 | V318-L350 HydrophobicContact CG1-CD1 3.35Å; V318-L350 HydrophobicContact CG1-CD2 4.02Å; V318-L350 HydrophobicContact CG1-CG 3.66Å; L350-F361 HydrophobicContact CD2-CE1 4.13Å; L350-S363 WeakPolarHBondContact CB-OG 3.4Å; L350-S363 PolarHBondContact N-OG 3.47Å; L350-S363 PolarHBondContact O-N 3.16Å; L350-L375 HydrophobicContact CB-CD2 4.34Å; L350-L375 HydrophobicContact CB-CG 4.16Å; L350-L375 HydrophobicContact CD1-CD2 4.26Å; L350-L375 HydrophobicContact CD1-CG 4.31Å; L350-F376 HydrophobicContact CD2-CB 4.5Å; L350-F376 HydrophobicContact CD2-CD2 4.14Å; L350-S379 WeakPolarHBondContact CD2-OG 3.46Å; L350-L381 HydrophobicContact CD2-CB 4.48Å; L350-L381 HydrophobicContact CD2-CD2 4.09Å; L350-F397 HydrophobicContact CD1-CE1 3.71Å; L350-F397 HydrophobicContact CD1-CZ 3.86Å |
| 351 | M | 95 | Very high | 84.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.5 | 174.5 | -173.6 | -170.5 | -67.6 | 0 | 0 | 109.9 | V318 G319 V353 V359 F361 V440 V444 C470 | V318-M351 WeakPolarHBondContact CA-O 3.47Å; G319-M351 PolarHBondContact N-O 2.92Å; G319-M351 PolarHBondContact O-N 3.19Å; M351-V353 HydrophobicContact CG-CG2 4.12Å; M351-V353 HydrophobicContact SD-CG2 3.91Å; M351-V359 HydrophobicContact CG-CG1 4.21Å; M351-V359 HydrophobicContact SD-CG2 4.08Å; M351-F361 WeakPolarHBondContact CA-O 3.25Å; M351-V440 HydrophobicContact CE-CG1 4.48Å; M351-V440 HydrophobicContact SD-CB 4.31Å; M351-V440 HydrophobicContact SD-CG1 3.51Å; M351-V440 VanDerWaalsContact SD-CG1 3.51Å; M351-V444 HydrophobicContact CE-CB 4.41Å; M351-V444 HydrophobicContact CE-CG2 3.57Å; M351-C470 HydrophobicContact CE-CB 4.04Å; M351-C470 WeakPolarHBondContact CE-SG 3.29Å |
| 352 | G | 95.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T360 F361 | G352-T360 PolarHBondContact O-N 3.3Å; G352-F361 PolarHBondContact N-O 2.96Å; G352-F361 PolarHBondContact O-N 3.26Å |
| 353 | V | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.1 | -179.5 | 178.6 | 0 | 0 | 0 | 0 | 109 | I317 M351 A358 V437 V440 | I317-V353 PolarHBondContact N-O 3.01Å; I317-V353 PolarHBondContact O-N 2.91Å; M351-V353 HydrophobicContact CG-CG2 4.12Å; M351-V353 HydrophobicContact SD-CG2 3.91Å; V353-A358 CarbonylContact C-O 3.14Å; V353-A358 VanDerWaalsContact CA-O 3.3Å; V353-A358 WeakPolarHBondContact CA-O 3.39Å; V353-V437 HydrophobicContact CB-CB 4.32Å; V353-V437 HydrophobicContact CB-CG2 4.25Å; V353-V437 HydrophobicContact CG2-CB 4.27Å; V353-V437 HydrophobicContact CG2-CG2 3.78Å; V353-V440 HydrophobicContact CG1-CG2 3.85Å; V353-V440 HydrophobicContact CG2-CB 3.94Å; V353-V440 HydrophobicContact CG2-CG1 3.9Å; V353-V440 HydrophobicContact CG2-CG2 4.06Å |
| 354 | A | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -64 | 156.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | I295 I300 H356 G357 A358 T360 | I295-A354 HydrophobicContact CD1-CB 4.45Å; I300-A354 HydrophobicContact CD1-CB 3.47Å; I300-A354 VanDerWaalsContact CD1-CB 3.47Å; A354-H356 PolarHBondContact O-N 3.32Å; A354-H356 VanDerWaalsContact O-N 3.13Å; A354-G357 WeakPolarHBondContact O-CA 3.33Å; A354-G357 PolarHBondContact O-N 3.07Å; A354-A358 HydrophobicContact CB-CB 4.48Å; A354-A358 PolarHBondContact N-O 3.25Å; A354-T360 HydrophobicContact CB-CG2 3.75Å | ||
| 355 | P | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37.9 | 177.3 | -29.6 | 36.4 | 0 | 0 | 0 | 114.6 | I300 L304 F308 T314 G357 H436 | I300-P355 HydrophobicContact CG2-CG 4Å; L304-P355 HydrophobicContact CD1-CB 3.7Å; L304-P355 HydrophobicContact CD1-CG 3.78Å; F308-P355 HydrophobicContact CD1-CB 4.07Å; F308-P355 HydrophobicContact CD1-CG 4.4Å; F308-P355 HydrophobicContact CD2-CB 3.87Å; F308-P355 HydrophobicContact CE1-CB 4.06Å; F308-P355 HydrophobicContact CE1-CG 4.43Å; F308-P355 HydrophobicContact CE2-CB 3.84Å; F308-P355 HydrophobicContact CG-CB 4Å; F308-P355 HydrophobicContact CZ-CB 3.96Å; T314-P355 HydrophobicContact CG2-CG 4.1Å; T314-P355 WeakPolarHBondContact O-CG 3.49Å; P355-G357 PolarHBondContact O-N 2.98Å; P355-H436 PolarHBondContact O-ND1 3.31Å; P355-H436 VanDerWaalsContact O-ND1 3.17Å |
| 356 | H | 90.2 | Very high | 93 | Very high | 41 Ų | 41 | 17.8 Ų | 17.8 | 19% | 0.19 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 4.1 | 176.3 | 62.2 | -105.2 | 0 | 0 | 0 | 114.3 | P305 A354 A358 | P305-H356 HydrophobicContact CG-CB 4.31Å; A354-H356 PolarHBondContact O-N 3.32Å; A354-H356 VanDerWaalsContact O-N 3.13Å; H356-A358 VanDerWaalsContact NE2-CB 3.32Å; H356-A358 WeakPolarHBondContact NE2-CB 3.2Å |
| 357 | G | 90.7 | Very high | 93 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 8% | 0.082 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 94.5 | 3.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117 | A354 P355 | A354-G357 WeakPolarHBondContact O-CA 3.33Å; A354-G357 PolarHBondContact O-N 3.07Å; P355-G357 PolarHBondContact O-N 2.98Å |
| 358 | A | 92.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 20 Ų | 20 | 19% | 0.19 | 11% | 0.11 | C | C | . | . | trans | -77 | 139.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I295 V353 A354 H356 T360 | I295-A358 HydrophobicContact CD1-CB 4.49Å; V353-A358 CarbonylContact C-O 3.14Å; V353-A358 VanDerWaalsContact CA-O 3.3Å; V353-A358 WeakPolarHBondContact CA-O 3.39Å; A354-A358 HydrophobicContact CB-CB 4.48Å; A354-A358 PolarHBondContact N-O 3.25Å; H356-A358 VanDerWaalsContact NE2-CB 3.32Å; H356-A358 WeakPolarHBondContact NE2-CB 3.2Å; A358-T360 PolarHBondContact O-N 3.48Å | ||
| 359 | V | 95 | Very high | 92.5 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 117.5 | 168 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | M351 V362 V440 V473 N474 | M351-V359 HydrophobicContact CG-CG1 4.21Å; M351-V359 HydrophobicContact SD-CG2 4.08Å; V359-V362 HydrophobicContact CG1-CG2 3.64Å; V359-V440 HydrophobicContact CG2-CG1 3.43Å; V359-V440 VanDerWaalsContact CG2-CG1 3.43Å; V359-V473 HydrophobicContact CG2-CB 4.41Å; V359-N474 WeakPolarHBondContact CB-OD1 3.46Å; V359-N474 PolarHBondContact N-OD1 3.14Å; V359-N474 PolarHBondContact O-ND2 3.03Å |
| 360 | T | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -8.8 | -178.5 | 57 | 0 | 0 | 0 | 0 | 113.3 | I293 I295 G352 A354 A358 | I293-T360 WeakPolarHBondContact O-CA 3.49Å; I293-T360 WeakPolarHBondContact O-CB 3.44Å; I295-T360 HydrophobicContact CB-CG2 4.48Å; I295-T360 HydrophobicContact CD1-CG2 3.58Å; I295-T360 HydrophobicContact CG1-CG2 3.77Å; G352-T360 PolarHBondContact O-N 3.3Å; A354-T360 HydrophobicContact CB-CG2 3.75Å; A358-T360 PolarHBondContact O-N 3.48Å |
| 361 | F | 95.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 141.2 | 177.4 | -177.8 | -91 | 0 | 0 | 0 | 111.9 | W294 L350 M351 G352 S379 L381 | W294-F361 HydrophobicContact CZ3-CB 4.39Å; L350-F361 HydrophobicContact CD2-CE1 4.13Å; M351-F361 WeakPolarHBondContact CA-O 3.25Å; G352-F361 PolarHBondContact N-O 2.96Å; G352-F361 PolarHBondContact O-N 3.26Å; F361-S379 WeakPolarHBondContact CZ-O 3.34Å; F361-L381 HydrophobicContact CB-CD1 4.24Å; F361-L381 HydrophobicContact CD1-CB 4.33Å; F361-L381 HydrophobicContact CD1-CD1 4.22Å; F361-L381 HydrophobicContact CD1-CD2 4.24Å; F361-L381 HydrophobicContact CD2-CB 4.49Å; F361-L381 HydrophobicContact CD2-CD1 3.85Å; F361-L381 HydrophobicContact CE1-CB 3.91Å; F361-L381 HydrophobicContact CE1-CD2 4.47Å; F361-L381 HydrophobicContact CE2-CB 4.06Å; F361-L381 HydrophobicContact CE2-CD1 4.23Å; F361-L381 HydrophobicContact CG-CD1 3.84Å; F361-L381 HydrophobicContact CZ-CB 3.76Å |
| 362 | V | 95.3 | Very high | 91.9 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 16% | 0.158 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 127 | 173.4 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | V359 F466 T467 C470 L471 | V359-V362 HydrophobicContact CG1-CG2 3.64Å; V362-F466 HydrophobicContact CG1-CD1 4.35Å; V362-F466 HydrophobicContact CG1-CE1 3.99Å; V362-T467 HydrophobicContact CG1-CG2 4.41Å; V362-C470 HydrophobicContact CB-CB 4.44Å; V362-C470 HydrophobicContact CG1-CB 3.95Å; V362-C470 HydrophobicContact CG2-CB 3.55Å; V362-L471 HydrophobicContact CG2-CD2 4.05Å; V362-L471 HydrophobicContact CG2-CG 4.49Å |
| 363 | S | 94.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 166 | 174.8 | 78 | 0 | 0 | 0 | 0 | 112.1 | L350 | L350-S363 WeakPolarHBondContact CB-OG 3.4Å; L350-S363 PolarHBondContact N-OG 3.47Å; L350-S363 PolarHBondContact O-N 3.16Å |
| 364 | S | 92.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 160.6 | 158.1 | -65 | 0 | 0 | 0 | 0 | 111.3 | Y366 N463 | S364-Y366 WeakPolarHBondContact O-CD2 3.31Å; S364-Y366 WeakPolarHBondContact O-CE2 3.41Å; S364-N463 WeakPolarHBondContact CA-OD1 3.35Å |
| 365 | L | 91.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 137.1 | 173.1 | -66.9 | 171.9 | 0 | 0 | 0 | 111.1 | L323 M347 R348 I462 N463 F466 | L323-L365 HydrophobicContact CD1-CD1 3.75Å; L323-L365 HydrophobicContact CD1-CD2 3.97Å; M347-L365 HydrophobicContact CB-CB 4.3Å; M347-L365 HydrophobicContact CE-CB 3.64Å; M347-L365 HydrophobicContact CE-CD1 4.42Å; M347-L365 HydrophobicContact SD-CB 4.47Å; M347-L365 HydrophobicContact SD-CD1 4.34Å; R348-L365 CarbonylContact O-C 3.59Å; R348-L365 WeakPolarHBondContact O-CA 3.34Å; L365-I462 HydrophobicContact CD1-CB 4.49Å; L365-I462 HydrophobicContact CD1-CG1 3.94Å; L365-I462 HydrophobicContact CD1-CG2 4.04Å; L365-N463 PolarHBondContact N-OD1 3.12Å; L365-F466 HydrophobicContact CD1-CB 3.91Å; L365-F466 HydrophobicContact CD1-CD1 4.42Å; L365-F466 HydrophobicContact CD1-CG 4.25Å; L365-F466 HydrophobicContact CD2-CB 4.46Å; L365-F466 HydrophobicContact CD2-CD1 3.58Å; L365-F466 HydrophobicContact CD2-CD2 4.41Å; L365-F466 HydrophobicContact CD2-CE1 3.83Å; L365-F466 HydrophobicContact CD2-CG 3.88Å; L365-F466 HydrophobicContact CD2-CZ 4.34Å; L365-F466 HydrophobicContact CG-CB 4.34Å; L365-F466 HydrophobicContact CG-CD1 3.92Å; L365-F466 HydrophobicContact CG-CG 4.23Å |
| 366 | Y | 90.1 | Very high | 91.5 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 167 | 177.6 | -61.3 | -97.1 | 0 | 0 | 0 | 110.5 | M347 R348 S364 L375 R378 | M347-Y366 CarbonylContact C-O 3.52Å; M347-Y366 WeakPolarHBondContact CA-O 3.39Å; R348-Y366 PolarHBondContact N-O 3.33Å; R348-Y366 PolarHBondContact O-N 3.13Å; S364-Y366 WeakPolarHBondContact O-CD2 3.31Å; S364-Y366 WeakPolarHBondContact O-CE2 3.41Å; Y366-L375 HydrophobicContact CD2-CD1 3.13Å; Y366-L375 HydrophobicContact CE2-CD1 3.66Å; Y366-L375 HydrophobicContact CG-CD1 3.8Å; Y366-R378 HydrophobicContact CE1-CB 3.81Å; Y366-R378 PolarHBondContact OH-O 3.03Å |
| 367 | E | 86.3 | Confident | 91.6 | Very high | 122 Ų | 122 | 34 Ų | 34 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 143.8 | 174.5 | -163 | -170.4 | 138 | 0 | 0 | 111.3 | S369 V370 | E367-S369 PolarHBondContact O-N 3.13Å; E367-S369 VanDerWaalsContact O-N 3.11Å; E367-S369 PolarHBondContact OE1-OG 3Å; E367-V370 WeakPolarHBondContact O-CB 3.17Å; E367-V370 WeakPolarHBondContact O-CG2 3.39Å; E367-V370 PolarHBondContact O-N 3.44Å |
| 368 | G | 84 | Confident | 91.7 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V346 R348 V370 | V346-G368 WeakPolarHBondContact O-CA 3.46Å; V346-G368 PolarHBondContact O-N 2.81Å; R348-G368 WeakPolarHBondContact CD-O 3.36Å; R348-G368 PolarHBondContact NH1-O 3Å; G368-V370 PolarHBondContact O-N 3.39Å |
| 369 | S | 86.4 | Confident | 91.8 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 62% | 0.622 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.9 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | E367 | E367-S369 PolarHBondContact O-N 3.13Å; E367-S369 VanDerWaalsContact O-N 3.11Å; E367-S369 PolarHBondContact OE1-OG 3Å |
| 370 | V | 88.3 | Confident | 91.7 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -69.7 | 132 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | R348 E367 G368 E374 L375 | R348-V370 PolarHBondContact NH1-O 2.9Å; E367-V370 WeakPolarHBondContact O-CB 3.17Å; E367-V370 WeakPolarHBondContact O-CG2 3.39Å; E367-V370 PolarHBondContact O-N 3.44Å; G368-V370 PolarHBondContact O-N 3.39Å; V370-E374 HydrophobicContact CG1-CB 3.77Å; V370-E374 HydrophobicContact CG1-CG 3.76Å; V370-L375 HydrophobicContact CG1-CB 4.05Å |
| 371 | S | 90.8 | Very high | 91.6 | Very high | 64 Ų | 64 | 41 Ų | 41 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | trans | -70.9 | 158.3 | 177.5 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | T373 E374 L375 | S371-T373 VanDerWaalsContact C-N 3.29Å; S371-T373 PolarHBondContact O-N 3.17Å; S371-E374 PolarHBondContact O-N 3.22Å; S371-E374 WeakPolarHBondContact OG-CB 3.25Å; S371-E374 PolarHBondContact OG-N 3.16Å; S371-L375 VanDerWaalsContact O-CB 3.27Å; S371-L375 WeakPolarHBondContact O-CB 3.45Å; S371-L375 PolarHBondContact O-N 2.98Å | ||
| 372 | D | 91.3 | Very high | 91.5 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 17% | 0.171 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 178.3 | -72.9 | -38.8 | 0 | 0 | 0 | 112.5 | C320 R348 F376 F397 | C320-D372 PolarHBondContact SG-OD1 3.14Å; R348-D372 IonicContact CZ-OD1 3.53Å; R348-D372 VanDerWaalsContact NH2-CG 3.35Å; R348-D372 IonicContact NH2-OD1 3.79Å; R348-D372 PolarHBondContact NH2-OD1 3.21Å; R348-D372 IonicContact NH2-OD2 3.57Å; D372-F376 WeakPolarHBondContact O-CB 3.16Å; D372-F376 PolarHBondContact O-N 3.36Å; D372-F397 HydrophobicContact CB-CD1 3.79Å; D372-F397 HydrophobicContact CB-CD2 4.01Å; D372-F397 HydrophobicContact CB-CE1 3.71Å; D372-F397 HydrophobicContact CB-CE2 3.95Å; D372-F397 HydrophobicContact CB-CG 3.96Å; D372-F397 HydrophobicContact CB-CZ 3.82Å; D372-F397 WeakPolarHBondContact O-CD1 3.41Å; D372-F397 WeakPolarHBondContact O-CE1 3.5Å |
| 373 | T | 90.4 | Very high | 91.3 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 16% | 0.16 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | S371 L375 F376 L377 L398 I399 | S371-T373 VanDerWaalsContact C-N 3.29Å; S371-T373 PolarHBondContact O-N 3.17Å; T373-L375 VanDerWaalsContact C-N 3.34Å; T373-F376 WeakPolarHBondContact O-CB 3.15Å; T373-F376 PolarHBondContact O-N 2.73Å; T373-L377 HydrophobicContact CG2-CD1 4.47Å; T373-L377 WeakPolarHBondContact O-CG 3.29Å; T373-L377 PolarHBondContact O-N 3.02Å; T373-L398 WeakPolarHBondContact CG2-O 3.35Å; T373-L398 PolarHBondContact OG1-N 2.98Å; T373-I399 HydrophobicContact CG2-CG2 4.05Å |
| 374 | E | 92 | Very high | 91.2 | Very high | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | -179.7 | -176.9 | 66.1 | -173.3 | 0 | 0 | 111.1 | V370 S371 F376 L377 R378 | V370-E374 HydrophobicContact CG1-CB 3.77Å; V370-E374 HydrophobicContact CG1-CG 3.76Å; S371-E374 PolarHBondContact O-N 3.22Å; S371-E374 WeakPolarHBondContact OG-CB 3.25Å; S371-E374 PolarHBondContact OG-N 3.16Å; E374-F376 VanDerWaalsContact C-N 3.33Å; E374-F376 PolarHBondContact O-N 3.32Å; E374-L377 PolarHBondContact O-N 2.95Å; E374-R378 HydrophobicContact CG-CG 4.38Å; E374-R378 WeakPolarHBondContact O-CB 3.29Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 3.14Å; E374-R378 IonicContact OE1-CZ 3.26Å; E374-R378 IonicContact OE1-NE 3.92Å; E374-R378 PolarHBondContact OE1-NE 3.44Å; E374-R378 IonicContact OE1-NH2 3.7Å; E374-R378 PolarHBondContact OE1-NH2 2.99Å |
| 375 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.9 | 178.4 | 60.9 | 0 | 0 | 0 | 111.1 | C320 R348 L350 Y366 V370 S371 T373 S379 | C320-L375 VanDerWaalsContact SG-CD2 3.56Å; R348-L375 HydrophobicContact CB-CD2 4.14Å; L350-L375 HydrophobicContact CB-CD2 4.34Å; L350-L375 HydrophobicContact CB-CG 4.16Å; L350-L375 HydrophobicContact CD1-CD2 4.26Å; L350-L375 HydrophobicContact CD1-CG 4.31Å; Y366-L375 HydrophobicContact CD2-CD1 3.13Å; Y366-L375 HydrophobicContact CE2-CD1 3.66Å; Y366-L375 HydrophobicContact CG-CD1 3.8Å; V370-L375 HydrophobicContact CG1-CB 4.05Å; S371-L375 VanDerWaalsContact O-CB 3.27Å; S371-L375 WeakPolarHBondContact O-CB 3.45Å; S371-L375 PolarHBondContact O-N 2.98Å; T373-L375 VanDerWaalsContact C-N 3.34Å; L375-S379 VanDerWaalsContact O-CB 3.3Å; L375-S379 WeakPolarHBondContact O-CB 3.32Å; L375-S379 PolarHBondContact O-N 3.19Å |
| 376 | F | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 175.1 | -177.7 | -84.4 | 0 | 0 | 0 | 111.6 | V318 L350 D372 T373 E374 S379 L381 A382 L385 V391 F397 I399 V403 | V318-F376 HydrophobicContact CG1-CD2 4.43Å; V318-F376 HydrophobicContact CG2-CE2 4.33Å; L350-F376 HydrophobicContact CD2-CB 4.5Å; L350-F376 HydrophobicContact CD2-CD2 4.14Å; D372-F376 WeakPolarHBondContact O-CB 3.16Å; D372-F376 PolarHBondContact O-N 3.36Å; T373-F376 WeakPolarHBondContact O-CB 3.15Å; T373-F376 PolarHBondContact O-N 2.73Å; E374-F376 VanDerWaalsContact C-N 3.33Å; E374-F376 PolarHBondContact O-N 3.32Å; F376-S379 PolarHBondContact O-N 3.32Å; F376-S379 PolarHBondContact O-OG 2.94Å; F376-L381 HydrophobicContact CD2-CD2 4.19Å; F376-L381 HydrophobicContact CE2-CB 4.44Å; F376-L381 HydrophobicContact CE2-CD2 3.62Å; F376-L381 HydrophobicContact CE2-CG 4.09Å; F376-L381 HydrophobicContact CZ-CD2 4.31Å; F376-L381 HydrophobicContact CZ-CG 4.28Å; F376-A382 HydrophobicContact CE1-CB 3.89Å; F376-L385 HydrophobicContact CZ-CD1 3.81Å; F376-V391 HydrophobicContact CE2-CG2 4.27Å; F376-F397 HydrophobicContact CB-CD1 4.14Å; F376-F397 HydrophobicContact CB-CE1 4.24Å; F376-F397 HydrophobicContact CD2-CD1 4.45Å; F376-I399 HydrophobicContact CB-CG2 4.12Å; F376-I399 HydrophobicContact CD1-CB 4.45Å; F376-I399 HydrophobicContact CD1-CD1 4.26Å; F376-I399 HydrophobicContact CD1-CG2 3.82Å; F376-I399 HydrophobicContact CD2-CD1 4.09Å; F376-I399 HydrophobicContact CE1-CD1 3.97Å; F376-I399 HydrophobicContact CE1-CG2 4.44Å; F376-I399 HydrophobicContact CE2-CD1 3.76Å; F376-I399 HydrophobicContact CG-CD1 4.33Å; F376-I399 HydrophobicContact CG-CG2 3.94Å; F376-I399 HydrophobicContact CZ-CD1 3.7Å; F376-V403 HydrophobicContact CE1-CG1 3.54Å; F376-V403 HydrophobicContact CZ-CG1 4.06Å |
| 377 | L | 92.8 | Very high | 91.3 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 37% | 0.366 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 179.9 | -71.4 | 176.9 | 0 | 0 | 0 | 112.4 | T373 E374 S379 G380 C402 | T373-L377 HydrophobicContact CG2-CD1 4.47Å; T373-L377 WeakPolarHBondContact O-CG 3.29Å; T373-L377 PolarHBondContact O-N 3.02Å; E374-L377 PolarHBondContact O-N 2.95Å; L377-S379 PolarHBondContact O-N 3.29Å; L377-G380 PolarHBondContact O-N 3.36Å; L377-C402 HydrophobicContact CD2-CB 4.06Å |
| 378 | R | 93.5 | Very high | 91.6 | Very high | 142 Ų | 142 | 56.3 Ų | 56.3 | 54% | 0.536 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69 | -22.6 | -179.5 | -70.8 | -170.3 | -174.7 | -165.6 | 6.3 | 113.9 | Y366 E374 G380 | Y366-R378 HydrophobicContact CE1-CB 3.81Å; Y366-R378 PolarHBondContact OH-O 3.03Å; E374-R378 HydrophobicContact CG-CG 4.38Å; E374-R378 WeakPolarHBondContact O-CB 3.29Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 3.14Å; E374-R378 IonicContact OE1-CZ 3.26Å; E374-R378 IonicContact OE1-NE 3.92Å; E374-R378 PolarHBondContact OE1-NE 3.44Å; E374-R378 IonicContact OE1-NH2 3.7Å; E374-R378 PolarHBondContact OE1-NH2 2.99Å; R378-G380 PolarHBondContact O-N 3.17Å |
| 379 | S | 93.6 | Very high | 92.1 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24 | -178.4 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | L350 F361 L375 F376 L377 L381 | L350-S379 WeakPolarHBondContact CD2-OG 3.46Å; F361-S379 WeakPolarHBondContact CZ-O 3.34Å; L375-S379 VanDerWaalsContact O-CB 3.3Å; L375-S379 WeakPolarHBondContact O-CB 3.32Å; L375-S379 PolarHBondContact O-N 3.19Å; F376-S379 PolarHBondContact O-N 3.32Å; F376-S379 PolarHBondContact O-OG 2.94Å; L377-S379 PolarHBondContact O-N 3.29Å; S379-L381 VanDerWaalsContact C-N 3.31Å; S379-L381 WeakPolarHBondContact OG-CB 3.41Å; S379-L381 PolarHBondContact OG-N 3.24Å; S379-L381 VanDerWaalsContact OG-N 3.15Å |
| 380 | G | 92.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 10.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | L377 R378 A382 | L377-G380 PolarHBondContact O-N 3.36Å; R378-G380 PolarHBondContact O-N 3.17Å; G380-A382 VanDerWaalsContact C-N 3.33Å |
| 381 | L | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -67.3 | -34.8 | 174 | -179.2 | 56.5 | 0 | 0 | 0 | 112 | W294 V318 L350 F361 F376 S379 D383 R384 L385 | W294-L381 HydrophobicContact CH2-CD1 3.8Å; W294-L381 HydrophobicContact CZ3-CD1 3.58Å; V318-L381 HydrophobicContact CG2-CD2 3.66Å; L350-L381 HydrophobicContact CD2-CB 4.48Å; L350-L381 HydrophobicContact CD2-CD2 4.09Å; F361-L381 HydrophobicContact CB-CD1 4.24Å; F361-L381 HydrophobicContact CD1-CB 4.33Å; F361-L381 HydrophobicContact CD1-CD1 4.22Å; F361-L381 HydrophobicContact CD1-CD2 4.24Å; F361-L381 HydrophobicContact CD2-CB 4.49Å; F361-L381 HydrophobicContact CD2-CD1 3.85Å; F361-L381 HydrophobicContact CE1-CB 3.91Å; F361-L381 HydrophobicContact CE1-CD2 4.47Å; F361-L381 HydrophobicContact CE2-CB 4.06Å; F361-L381 HydrophobicContact CE2-CD1 4.23Å; F361-L381 HydrophobicContact CG-CD1 3.84Å; F361-L381 HydrophobicContact CZ-CB 3.76Å; F376-L381 HydrophobicContact CD2-CD2 4.19Å; F376-L381 HydrophobicContact CE2-CB 4.44Å; F376-L381 HydrophobicContact CE2-CD2 3.62Å; F376-L381 HydrophobicContact CE2-CG 4.09Å; F376-L381 HydrophobicContact CZ-CD2 4.31Å; F376-L381 HydrophobicContact CZ-CG 4.28Å; S379-L381 VanDerWaalsContact C-N 3.31Å; S379-L381 WeakPolarHBondContact OG-CB 3.41Å; S379-L381 PolarHBondContact OG-N 3.24Å; S379-L381 VanDerWaalsContact OG-N 3.15Å; L381-D383 PolarHBondContact O-N 3.47Å; L381-R384 PolarHBondContact O-N 2.84Å; L381-R384 VanDerWaalsContact O-N 3.09Å; L381-L385 HydrophobicContact CG-CD1 4.45Å | ||
| 382 | A | 93 | Very high | 93 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -56.2 | -38 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F376 G380 R384 L385 V403 | F376-A382 HydrophobicContact CE1-CB 3.89Å; G380-A382 VanDerWaalsContact C-N 3.33Å; A382-R384 PolarHBondContact O-N 3.47Å; A382-L385 PolarHBondContact O-N 3.07Å; A382-V403 HydrophobicContact CB-CG1 4.32Å |
| 383 | D | 92.1 | Very high | 93.1 | Very high | 147 Ų | 147 | 46.4 Ų | 46.4 | 79% | 0.786 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -68.4 | -16 | -177.9 | -57.3 | -35.5 | 0 | 0 | 0 | 113.3 | L381 | L381-D383 PolarHBondContact O-N 3.47Š|
| 384 | R | 91.9 | Very high | 92.8 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -94.7 | -9.2 | 179.8 | -59 | -179.5 | -179.5 | -111.5 | 0.3 | 113.3 | W294 L381 A382 | W294-R384 HydrophobicContact CD2-CB 4.36Å; W294-R384 HydrophobicContact CH2-CB 4.32Å; W294-R384 HydrophobicContact CZ2-CB 3.92Å; L381-R384 PolarHBondContact O-N 2.84Å; L381-R384 VanDerWaalsContact O-N 3.09Å; A382-R384 PolarHBondContact O-N 3.47Å |
| 385 | L | 93.1 | Very high | 92.3 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | trans | -97.3 | 124.6 | -175.2 | -66.3 | 169 | 0 | 0 | 0 | 110.7 | W294 Q315 V316 F376 L381 A382 M389 V391 C405 | W294-L385 HydrophobicContact CH2-CD2 4Å; W294-L385 HydrophobicContact CZ2-CD2 4.2Å; Q315-L385 HydrophobicContact CG-CD2 4.38Å; V316-L385 HydrophobicContact CG1-CD2 4.11Å; F376-L385 HydrophobicContact CZ-CD1 3.81Å; L381-L385 HydrophobicContact CG-CD1 4.45Å; A382-L385 PolarHBondContact O-N 3.07Å; L385-M389 HydrophobicContact CD2-SD 4.28Å; L385-V391 HydrophobicContact CD1-CB 4.11Å; L385-V391 HydrophobicContact CD1-CG1 4.34Å; L385-V391 HydrophobicContact CD1-CG2 4.48Å; L385-C405 HydrophobicContact CB-CB 4.14Å | ||
| 386 | T | 92.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | trans | -99 | 167.8 | 176.8 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | D388 M389 C405 | T386-D388 WeakPolarHBondContact CB-OD1 3.27Å; T386-D388 PolarHBondContact O-N 3.09Å; T386-D388 PolarHBondContact OG1-OD1 3.23Å; T386-M389 HydrophobicContact CG2-CE 4.48Å; T386-M389 PolarHBondContact O-N 3.12Å; T386-M389 VanDerWaalsContact O-N 3.14Å; T386-M389 VanDerWaalsContact OG1-CE 3.26Å; T386-M389 WeakPolarHBondContact OG1-CE 3.42Å; T386-M389 WeakPolarHBondContact OG1-CG 3.27Å; T386-M389 PolarHBondContact OG1-SD 2.95Å; T386-C405 WeakPolarHBondContact O-CB 3.32Å | ||
| 387 | E | 91.9 | Very high | 91.3 | Very high | 146 Ų | 146 | 50.5 Ų | 50.5 | 68% | 0.682 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.5 | -175.7 | -71.9 | 175.1 | -167 | 0 | 0 | 113.7 | K404 | E387-K404 HydrophobicContact CG-CB 3.8Å; E387-K404 HydrophobicContact CG-CD 4.44Å |
| 388 | D | 91.8 | Very high | 91 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.8 | 177.5 | 67.1 | -49.1 | 0 | 0 | 0 | 113.8 | T386 | T386-D388 WeakPolarHBondContact CB-OD1 3.27Å; T386-D388 PolarHBondContact O-N 3.09Å; T386-D388 PolarHBondContact OG1-OD1 3.23Å |
| 389 | M | 94.8 | Very high | 90.7 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | trans | -95 | 161.7 | 177.7 | -66.3 | 174.1 | -174.1 | 0 | 0 | 111.7 | W294 A297 Q315 L385 T386 C405 K406 | W294-M389 HydrophobicContact CZ2-SD 4.41Å; A297-M389 HydrophobicContact CB-CE 3.96Å; A297-M389 HydrophobicContact CB-CG 4.49Å; Q315-M389 HydrophobicContact CB-CB 3.93Å; Q315-M389 HydrophobicContact CB-CG 4.05Å; Q315-M389 HydrophobicContact CB-SD 4.22Å; Q315-M389 HydrophobicContact CG-CB 4.47Å; Q315-M389 HydrophobicContact CG-CG 4.17Å; Q315-M389 HydrophobicContact CG-SD 3.73Å; L385-M389 HydrophobicContact CD2-SD 4.28Å; T386-M389 HydrophobicContact CG2-CE 4.48Å; T386-M389 PolarHBondContact O-N 3.12Å; T386-M389 VanDerWaalsContact O-N 3.14Å; T386-M389 VanDerWaalsContact OG1-CE 3.26Å; T386-M389 WeakPolarHBondContact OG1-CE 3.42Å; T386-M389 WeakPolarHBondContact OG1-CG 3.27Å; T386-M389 PolarHBondContact OG1-SD 2.95Å; M389-C405 VanDerWaalsContact O-CB 3.3Å; M389-C405 WeakPolarHBondContact O-CB 3.46Å; M389-K406 PolarHBondContact O-N 3.22Å; M389-K406 VanDerWaalsContact O-N 3.08Å | ||
| 390 | A | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D313 Q315 K406 Y408 | D313-A390 HydrophobicContact CB-CB 4.17Å; D313-A390 WeakPolarHBondContact O-CB 3.44Å; D313-A390 PolarHBondContact O-N 2.87Å; Q315-A390 PolarHBondContact N-O 3.26Å; A390-K406 CarbonylContact C-O 3.21Å; A390-K406 VanDerWaalsContact CA-O 3.23Å; A390-K406 WeakPolarHBondContact CA-O 3.35Å; A390-K406 HydrophobicContact CB-CB 3.84Å; A390-K406 HydrophobicContact CB-CD 4.36Å; A390-K406 HydrophobicContact CB-CG 4.42Å; A390-Y408 HydrophobicContact CB-CD2 3.71Å; A390-Y408 HydrophobicContact CB-CE2 3.34Å |
| 391 | V | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.4 | 172.3 | 64 | 0 | 0 | 0 | 0 | 110 | V316 V318 F376 L385 V393 I399 K406 V407 Y408 | V316-V391 HydrophobicContact CG1-CB 4.3Å; V316-V391 HydrophobicContact CG1-CG2 3.78Å; V316-V391 WeakPolarHBondContact O-CA 3.25Å; V318-V391 HydrophobicContact CG2-CG2 3.59Å; F376-V391 HydrophobicContact CE2-CG2 4.27Å; L385-V391 HydrophobicContact CD1-CB 4.11Å; L385-V391 HydrophobicContact CD1-CG1 4.34Å; L385-V391 HydrophobicContact CD1-CG2 4.48Å; V391-V393 HydrophobicContact CG1-CG1 4.42Å; V391-V393 HydrophobicContact CG2-CG1 3.79Å; V391-I399 HydrophobicContact CG1-CD1 3.85Å; V391-K406 PolarHBondContact N-O 3.47Å; V391-V407 HydrophobicContact CG1-CB 4.42Å; V391-V407 HydrophobicContact CG1-CG1 4.38Å; V391-V407 HydrophobicContact CG1-CG2 3.9Å; V391-V407 WeakPolarHBondContact O-CA 3.27Å; V391-Y408 PolarHBondContact O-N 2.76Å |
| 392 | M | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.4 | 176.1 | -172.4 | 177.4 | -66.1 | 0 | 0 | 110.3 | F308 F311 T314 V316 I317 V318 Y408 V430 L433 | F308-M392 HydrophobicContact CD1-CE 4.47Å; F308-M392 HydrophobicContact CE1-CE 4.19Å; F311-M392 HydrophobicContact CB-CE 4.32Å; F311-M392 HydrophobicContact CD1-CE 4.27Å; F311-M392 HydrophobicContact CD2-CE 4.32Å; F311-M392 HydrophobicContact CG-CE 4.05Å; T314-M392 HydrophobicContact CG2-CB 4.2Å; T314-M392 HydrophobicContact CG2-CE 4.39Å; V316-M392 PolarHBondContact O-N 2.94Å; I317-M392 CarbonylContact C-O 3.58Å; I317-M392 WeakPolarHBondContact CA-O 3.44Å; I317-M392 HydrophobicContact CB-CB 4.49Å; I317-M392 HydrophobicContact CG1-CB 4.3Å; I317-M392 HydrophobicContact CG2-CB 4.26Å; I317-M392 HydrophobicContact CG2-CG 4.37Å; I317-M392 HydrophobicContact CG2-SD 4.46Å; V318-M392 PolarHBondContact N-O 3.44Å; M392-Y408 WeakPolarHBondContact CA-O 3.44Å; M392-Y408 HydrophobicContact CE-CD2 4.43Å; M392-V430 HydrophobicContact CG-CG1 3.96Å; M392-V430 HydrophobicContact SD-CG1 4.09Å; M392-L433 HydrophobicContact CE-CB 4.2Å; M392-L433 HydrophobicContact CE-CD1 3.9Å; M392-L433 HydrophobicContact SD-CB 3.75Å |
| 393 | V | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -135.1 | 168.9 | -170.1 | -58.7 | 0 | 0 | 0 | 0 | 113 | V318 V391 F397 I399 V407 Y408 C409 P410 | V318-V393 HydrophobicContact CB-CG1 4.2Å; V318-V393 HydrophobicContact CG2-CG1 4.49Å; V391-V393 HydrophobicContact CG1-CG1 4.42Å; V391-V393 HydrophobicContact CG2-CG1 3.79Å; V393-F397 HydrophobicContact CB-CB 3.67Å; V393-F397 HydrophobicContact CB-CD2 3.99Å; V393-F397 HydrophobicContact CB-CG 3.88Å; V393-F397 HydrophobicContact CG1-CB 4.22Å; V393-F397 HydrophobicContact CG1-CG 4.32Å; V393-F397 HydrophobicContact CG2-CB 3.67Å; V393-F397 HydrophobicContact CG2-CG 4.43Å; V393-I399 HydrophobicContact CG1-CD1 3.76Å; V393-V407 HydrophobicContact CG2-CG1 3.73Å; V393-Y408 PolarHBondContact N-O 3.21Å; V393-C409 HydrophobicContact CG2-CB 3.82Å; V393-P410 WeakPolarHBondContact O-CD 3.23Å | ||
| 394 | D | 85.1 | Confident | 89 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | trans | -76.4 | 165 | 169.4 | -143.9 | -24.7 | 0 | 0 | 0 | 112.4 | G396 F397 C409 R434 | D394-G396 PolarHBondContact O-N 2.86Å; D394-G396 VanDerWaalsContact O-N 3.09Å; D394-F397 HydrophobicContact CB-CD2 3.78Å; D394-F397 HydrophobicContact CB-CE2 4Å; D394-F397 PolarHBondContact O-N 2.87Å; D394-C409 PolarHBondContact O-SG 2.81Å; D394-C409 VanDerWaalsContact O-SG 3.36Å; D394-R434 IonicContact OD1-CZ 2.61Å; D394-R434 IonicContact OD1-NE 3.77Å; D394-R434 IonicContact OD1-NH1 2.65Å; D394-R434 IonicContact OD1-NH2 3.55Å; D394-R434 IonicContact OD2-CZ 3.15Å; D394-R434 IonicContact OD2-NH1 3.57Å; D394-R434 PolarHBondContact OD2-NH1 3.31Å; D394-R434 IonicContact OD2-NH2 3.22Å; D394-R434 PolarHBondContact OD2-NH2 3.5Å | ||
| 395 | K | 80.4 | Confident | 89 | Confident | 77 Ų | 77 | 50.1 Ų | 50.1 | 34% | 0.335 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.1 | 170 | -66 | -175.9 | 177.1 | -179.6 | 0 | 113.4 | F397 P410 P411 F412 | K395-F397 PolarHBondContact O-N 3.27Å; K395-P410 HydrophobicContact CD-CB 4.36Å; K395-P410 HydrophobicContact CG-CB 3.83Å; K395-P410 HydrophobicContact CG-CG 4.09Å; K395-P411 WeakPolarHBondContact CE-O 3.41Å; K395-F412 WeakPolarHBondContact O-CZ 3.48Å |
| 396 | G | 81.6 | Confident | 89 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D394 L398 | D394-G396 PolarHBondContact O-N 2.86Å; D394-G396 VanDerWaalsContact O-N 3.09Å; G396-L398 PolarHBondContact O-N 3.29Å |
| 397 | F | 85.1 | Confident | 89 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | trans | -93.7 | 95.6 | -176.2 | -68.3 | -95.7 | 0 | 0 | 0 | 111.4 | V318 C320 L350 D372 F376 V393 D394 K395 I399 | V318-F397 HydrophobicContact CG1-CE1 4.15Å; V318-F397 HydrophobicContact CG1-CZ 4.12Å; C320-F397 WeakPolarHBondContact SG-CZ 3.28Å; L350-F397 HydrophobicContact CD1-CE1 3.71Å; L350-F397 HydrophobicContact CD1-CZ 3.86Å; D372-F397 HydrophobicContact CB-CD1 3.79Å; D372-F397 HydrophobicContact CB-CD2 4.01Å; D372-F397 HydrophobicContact CB-CE1 3.71Å; D372-F397 HydrophobicContact CB-CE2 3.95Å; D372-F397 HydrophobicContact CB-CG 3.96Å; D372-F397 HydrophobicContact CB-CZ 3.82Å; D372-F397 WeakPolarHBondContact O-CD1 3.41Å; D372-F397 WeakPolarHBondContact O-CE1 3.5Å; F376-F397 HydrophobicContact CB-CD1 4.14Å; F376-F397 HydrophobicContact CB-CE1 4.24Å; F376-F397 HydrophobicContact CD2-CD1 4.45Å; V393-F397 HydrophobicContact CB-CB 3.67Å; V393-F397 HydrophobicContact CB-CD2 3.99Å; V393-F397 HydrophobicContact CB-CG 3.88Å; V393-F397 HydrophobicContact CG1-CB 4.22Å; V393-F397 HydrophobicContact CG1-CG 4.32Å; V393-F397 HydrophobicContact CG2-CB 3.67Å; V393-F397 HydrophobicContact CG2-CG 4.43Å; D394-F397 HydrophobicContact CB-CD2 3.78Å; D394-F397 HydrophobicContact CB-CE2 4Å; D394-F397 PolarHBondContact O-N 2.87Å; K395-F397 PolarHBondContact O-N 3.27Å; F397-I399 VanDerWaalsContact C-N 3.25Å; F397-I399 HydrophobicContact CB-CG1 4.43Å; F397-I399 HydrophobicContact CB-CG2 4.41Å; F397-I399 PolarHBondContact O-N 2.59Å; F397-I399 VanDerWaalsContact O-N 3.09Å | ||
| 398 | L | 86.6 | Confident | 89 | Confident | 107 Ų | 107 | 46.4 Ų | 46.4 | 56% | 0.56 | 27% | 0.271 | S | S | * | . | trans | -85.5 | 62.5 | 174.6 | -63.3 | 177.6 | 0 | 0 | 0 | 111 | T373 G396 F412 | T373-L398 WeakPolarHBondContact CG2-O 3.35Å; T373-L398 PolarHBondContact OG1-N 2.98Å; G396-L398 PolarHBondContact O-N 3.29Å; L398-F412 HydrophobicContact CD2-CE2 3.48Å; L398-F412 VanDerWaalsContact CD2-CE2 3.48Å; L398-F412 HydrophobicContact CD2-CZ 3.57Å; L398-F412 HydrophobicContact CG-CZ 4.5Å | ||
| 399 | I | 88.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -104.2 | -4 | -172.8 | 61.4 | 165.8 | 0 | 0 | 0 | 114.5 | T373 F376 V391 V393 F397 G401 C402 V403 V407 | T373-I399 HydrophobicContact CG2-CG2 4.05Å; F376-I399 HydrophobicContact CB-CG2 4.12Å; F376-I399 HydrophobicContact CD1-CB 4.45Å; F376-I399 HydrophobicContact CD1-CD1 4.26Å; F376-I399 HydrophobicContact CD1-CG2 3.82Å; F376-I399 HydrophobicContact CD2-CD1 4.09Å; F376-I399 HydrophobicContact CE1-CD1 3.97Å; F376-I399 HydrophobicContact CE1-CG2 4.44Å; F376-I399 HydrophobicContact CE2-CD1 3.76Å; F376-I399 HydrophobicContact CG-CD1 4.33Å; F376-I399 HydrophobicContact CG-CG2 3.94Å; F376-I399 HydrophobicContact CZ-CD1 3.7Å; V391-I399 HydrophobicContact CG1-CD1 3.85Å; V393-I399 HydrophobicContact CG1-CD1 3.76Å; F397-I399 VanDerWaalsContact C-N 3.25Å; F397-I399 HydrophobicContact CB-CG1 4.43Å; F397-I399 HydrophobicContact CB-CG2 4.41Å; F397-I399 PolarHBondContact O-N 2.59Å; F397-I399 VanDerWaalsContact O-N 3.09Å; I399-G401 PolarHBondContact O-N 3.06Å; I399-G401 VanDerWaalsContact O-N 3.08Å; I399-C402 WeakPolarHBondContact O-CA 3.3Å; I399-C402 WeakPolarHBondContact O-CB 2.95Å; I399-C402 PolarHBondContact O-N 3.37Å; I399-V403 PolarHBondContact O-N 3.37Å; I399-V407 HydrophobicContact CD1-CG1 4.28Å; I399-V407 HydrophobicContact CD1-CG2 4.31Å; I399-V407 HydrophobicContact CG1-CG1 3.97Å; I399-V407 HydrophobicContact CG1-CG2 4.13Å | ||
| 400 | S | 85.9 | Confident | 88 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 59% | 0.587 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.3 | -174.9 | -55.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 401 | G | 84.2 | Confident | 86.7 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 86% | 0.856 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -0.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I399 | I399-G401 PolarHBondContact O-N 3.06Å; I399-G401 VanDerWaalsContact O-N 3.08Å |
| 402 | C | 84.3 | Confident | 85 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -12.9 | -171.8 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | L377 I399 | L377-C402 HydrophobicContact CD2-CB 4.06Å; I399-C402 WeakPolarHBondContact O-CA 3.3Å; I399-C402 WeakPolarHBondContact O-CB 2.95Å; I399-C402 PolarHBondContact O-N 3.37Å |
| 403 | V | 88.4 | Confident | 83.1 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | trans | -124.6 | 150.4 | 179.8 | -61 | 0 | 0 | 0 | 0 | 110.3 | F376 A382 I399 C405 V407 | F376-V403 HydrophobicContact CE1-CG1 3.54Å; F376-V403 HydrophobicContact CZ-CG1 4.06Å; A382-V403 HydrophobicContact CB-CG1 4.32Å; I399-V403 PolarHBondContact O-N 3.37Å; V403-C405 VanDerWaalsContact CG2-SG 3.57Å; V403-V407 HydrophobicContact CG2-CG2 3.43Å; V403-V407 VanDerWaalsContact CG2-CG2 3.43Å | ||
| 404 | K | 86.6 | Confident | 80.9 | Confident | 167 Ų | 167 | 61.3 Ų | 61.3 | 73% | 0.726 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -83.4 | -19.7 | 177 | -57.6 | -177.1 | 179.4 | -177.8 | 0 | 112.9 | E387 | E387-K404 HydrophobicContact CG-CB 3.8Å; E387-K404 HydrophobicContact CG-CD 4.44Å |
| 405 | C | 92.1 | Very high | 79.1 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -79.3 | 165.5 | -179.2 | 73 | 0 | 0 | 0 | 0 | 111.7 | L385 T386 M389 V403 | L385-C405 HydrophobicContact CB-CB 4.14Å; T386-C405 WeakPolarHBondContact O-CB 3.32Å; M389-C405 VanDerWaalsContact O-CB 3.3Å; M389-C405 WeakPolarHBondContact O-CB 3.46Å; V403-C405 VanDerWaalsContact CG2-SG 3.57Å |
| 406 | K | 92.8 | Very high | 77.9 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141.7 | 174.7 | -169.2 | -178.2 | -168.5 | 178.9 | 0 | 110.7 | D313 M389 A390 V391 Y408 | D313-K406 WeakPolarHBondContact OD2-CD 3.41Å; D313-K406 IonicContact OD2-NZ 3.75Å; M389-K406 PolarHBondContact O-N 3.22Å; M389-K406 VanDerWaalsContact O-N 3.08Å; A390-K406 CarbonylContact C-O 3.21Å; A390-K406 VanDerWaalsContact CA-O 3.23Å; A390-K406 WeakPolarHBondContact CA-O 3.35Å; A390-K406 HydrophobicContact CB-CB 3.84Å; A390-K406 HydrophobicContact CB-CD 4.36Å; A390-K406 HydrophobicContact CB-CG 4.42Å; V391-K406 PolarHBondContact N-O 3.47Å; K406-Y408 HydrophobicContact CD-CE1 3.85Å; K406-Y408 HydrophobicContact CD-CE2 4.25Å; K406-Y408 WeakPolarHBondContact CD-OH 3.27Å; K406-Y408 VanDerWaalsContact CE-OH 3.3Å; K406-Y408 WeakPolarHBondContact CE-OH 3.2Å; K406-Y408 HydrophobicContact CG-CE1 4.4Å; K406-Y408 PolarHBondContact NZ-OH 3.33Å |
| 407 | V | 92.8 | Very high | 76.4 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 17% | 0.17 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.1 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | V391 V393 I399 V403 C409 | V391-V407 HydrophobicContact CG1-CB 4.42Å; V391-V407 HydrophobicContact CG1-CG1 4.38Å; V391-V407 HydrophobicContact CG1-CG2 3.9Å; V391-V407 WeakPolarHBondContact O-CA 3.27Å; V393-V407 HydrophobicContact CG2-CG1 3.73Å; I399-V407 HydrophobicContact CD1-CG1 4.28Å; I399-V407 HydrophobicContact CD1-CG2 4.31Å; I399-V407 HydrophobicContact CG1-CG1 3.97Å; I399-V407 HydrophobicContact CG1-CG2 4.13Å; V403-V407 HydrophobicContact CG2-CG2 3.43Å; V403-V407 VanDerWaalsContact CG2-CG2 3.43Å; V407-C409 HydrophobicContact CG1-CB 4.28Å |
| 408 | Y | 91.1 | Very high | 74.8 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 6% | 0.059 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 104 | 169.5 | -64.4 | -57.2 | 0 | 0 | 0 | 109.7 | F311 D313 A390 V391 M392 V393 K406 | F311-Y408 HydrophobicContact CB-CD2 4.32Å; F311-Y408 HydrophobicContact CB-CE2 3.89Å; F311-Y408 AromaticContact CD1-CD1 3.56Å; F311-Y408 HydrophobicContact CD1-CD1 3.56Å; F311-Y408 AromaticContact CD1-CD2 3.87Å; F311-Y408 HydrophobicContact CD1-CD2 3.87Å; F311-Y408 AromaticContact CD1-CE1 3.5Å; F311-Y408 HydrophobicContact CD1-CE1 3.5Å; F311-Y408 VanDerWaalsContact CD1-CE1 3.5Å; F311-Y408 AromaticContact CD1-CE2 3.81Å; F311-Y408 HydrophobicContact CD1-CE2 3.81Å; F311-Y408 AromaticContact CD1-CG 3.73Å; F311-Y408 HydrophobicContact CD1-CG 3.73Å; F311-Y408 AromaticContact CD1-CZ 3.62Å; F311-Y408 AromaticContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CE1 4.01Å; F311-Y408 HydrophobicContact CE1-CG 4.21Å; F311-Y408 HydrophobicContact CG-CE2 4.35Å; D313-Y408 VanDerWaalsContact OD1-CE2 3.22Å; D313-Y408 WeakPolarHBondContact OD1-CE2 3.23Å; D313-Y408 VanDerWaalsContact OD1-CZ 3.28Å; D313-Y408 PolarHBondContact OD1-OH 3.45Å; D313-Y408 PolarHBondContact OD2-OH 3.39Å; A390-Y408 HydrophobicContact CB-CD2 3.71Å; A390-Y408 HydrophobicContact CB-CE2 3.34Å; V391-Y408 PolarHBondContact O-N 2.76Å; M392-Y408 WeakPolarHBondContact CA-O 3.44Å; M392-Y408 HydrophobicContact CE-CD2 4.43Å; V393-Y408 PolarHBondContact N-O 3.21Å; K406-Y408 HydrophobicContact CD-CE1 3.85Å; K406-Y408 HydrophobicContact CD-CE2 4.25Å; K406-Y408 WeakPolarHBondContact CD-OH 3.27Å; K406-Y408 VanDerWaalsContact CE-OH 3.3Å; K406-Y408 WeakPolarHBondContact CE-OH 3.2Å; K406-Y408 HydrophobicContact CG-CE1 4.4Å; K406-Y408 PolarHBondContact NZ-OH 3.33Å |
| 409 | C | 85.8 | Confident | 73.1 | Confident | 37 Ų | 37 | 80 Ų | 80 | 25% | 0.25 | 45% | 0.451 | C | S | . | . | trans | -128 | 139.1 | 178 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | V393 D394 V407 | V393-C409 HydrophobicContact CG2-CB 3.82Å; D394-C409 PolarHBondContact O-SG 2.81Å; D394-C409 VanDerWaalsContact O-SG 3.36Å; V407-C409 HydrophobicContact CG1-CB 4.28Å | ||
| 410 | P | 79.2 | Confident | 71.8 | Confident | 7 Ų | 7 | 82.8 Ų | 82.8 | 5% | 0.045 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 137.4 | 172.3 | -16.7 | 28.5 | 0 | 0 | 0 | 110.3 | V393 K395 V430 | V393-P410 WeakPolarHBondContact O-CD 3.23Å; K395-P410 HydrophobicContact CD-CB 4.36Å; K395-P410 HydrophobicContact CG-CB 3.83Å; K395-P410 HydrophobicContact CG-CG 4.09Å; P410-V430 HydrophobicContact CG-CB 4.46Å; P410-V430 HydrophobicContact CG-CG1 3.88Å |
| 411 | P | 68.6 | Low | 70.7 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 31% | 0.312 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 145.9 | 179.8 | 23.4 | -33.2 | 0 | 0 | 0 | 112 | K395 L413 M419 A427 | K395-P411 WeakPolarHBondContact CE-O 3.41Å; P411-L413 PolarHBondContact O-N 2.83Å; P411-M419 HydrophobicContact CB-CE 4.05Å; P411-M419 HydrophobicContact CG-CE 4.2Å; P411-A427 HydrophobicContact CG-CB 3.64Å |
| 412 | F | 59.5 | Low | 69.6 | Low | 125 Ų | 125 | 87.2 Ų | 87.2 | 55% | 0.548 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 130.8 | 166.8 | -82 | -90 | 0 | 0 | 0 | 109.2 | K395 L398 S414 | K395-F412 WeakPolarHBondContact O-CZ 3.48Å; L398-F412 HydrophobicContact CD2-CE2 3.48Å; L398-F412 VanDerWaalsContact CD2-CE2 3.48Å; L398-F412 HydrophobicContact CD2-CZ 3.57Å; L398-F412 HydrophobicContact CG-CZ 4.5Å; F412-S414 PolarHBondContact O-N 3.39Å |
| 413 | L | 53.6 | Low | 68.7 | Low | 147 Ų | 147 | 87.7 Ų | 87.7 | 77% | 0.77 | 47% | 0.473 | S | S | * | . | trans | -70.4 | 84.3 | 168.5 | -69.5 | 172.9 | 0 | 0 | 0 | 107.2 | P411 | P411-L413 PolarHBondContact O-N 2.83Š| ||
| 414 | S | 47 | Very low | 68 | Low | 57 Ų | 57 | 89.6 Ų | 89.6 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | trans | -69.8 | 142 | 166.1 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | F412 K416 | F412-S414 PolarHBondContact O-N 3.39Å; S414-K416 PolarHBondContact O-N 3Å | ||
| 415 | P | 47.3 | Very low | 67.5 | Low | 141 Ų | 141 | 86 Ų | 86 | 92% | 0.916 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -73.3 | 31.3 | -178.8 | 30.1 | -34.3 | 0 | 0 | 0 | 112.8 | ||
| 416 | K | 53.8 | Low | 66.7 | Low | 158 Ų | 158 | 90.1 Ų | 90.1 | 69% | 0.687 | 49% | 0.491 | S | S | * | . | trans | -87.8 | 136.3 | 176.3 | -75.7 | -173.1 | 177.1 | -179.6 | 0 | 110.1 | S414 Q418 | S414-K416 PolarHBondContact O-N 3Å; K416-Q418 PolarHBondContact O-N 3.38Å | ||
| 417 | P | 51.3 | Low | 66 | Low | 133 Ų | 133 | 86 Ų | 86 | 86% | 0.864 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -74.8 | 0.6 | -163.6 | -14.3 | 30.3 | 0 | 0 | 0 | 115.8 | ||
| 418 | Q | 51.4 | Low | 65.4 | Low | 179 Ų | 179 | 89.5 Ų | 89.5 | 84% | 0.836 | 49% | 0.491 | S | S | * | . | trans | -145.1 | 87.9 | -174 | -70.7 | 178.3 | -0.5 | 0 | 0 | 110 | K416 | K416-Q418 PolarHBondContact O-N 3.38Š| ||
| 419 | M | 51.6 | Low | 65.1 | Low | 68 Ų | 68 | 92.1 Ų | 92.1 | 34% | 0.335 | 50% | 0.503 | S | S | . | . | trans | -78 | 122.4 | 158.5 | -68.2 | -67.1 | -80.8 | 0 | 0 | 107 | P411 S421 N423 V424 | P411-M419 HydrophobicContact CB-CE 4.05Å; P411-M419 HydrophobicContact CG-CE 4.2Å; M419-S421 PolarHBondContact O-N 3.24Å; M419-N423 HydrophobicContact CE-CB 4.25Å; M419-V424 HydrophobicContact CB-CG2 3.73Å | ||
| 420 | A | 60.6 | Low | 65.1 | Low | 59 Ų | 59 | 90.6 Ų | 90.6 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | trans | -51.1 | 131.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q422 N423 V424 | A420-Q422 PolarHBondContact O-N 3.06Å; A420-N423 PolarHBondContact O-N 3.37Å; A420-V424 PolarHBondContact O-N 3.25Å | ||
| 421 | S | 62.1 | Low | 65.3 | Low | 106 Ų | 106 | 92.5 Ų | 92.5 | 74% | 0.741 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -48.6 | -32 | -175.1 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | M419 V424 L425 | M419-S421 PolarHBondContact O-N 3.24Å; S421-V424 PolarHBondContact O-N 3.18Å; S421-L425 PolarHBondContact O-N 3.25Å; S421-L425 VanDerWaalsContact O-N 3.09Å |
| 422 | Q | 61.4 | Low | 66.1 | Low | 153 Ų | 153 | 99.1 Ų | 99.1 | 72% | 0.715 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -38.3 | 178.3 | -157 | 168.1 | 6.4 | 0 | 0 | 113.6 | A420 V424 L425 Q426 | A420-Q422 PolarHBondContact O-N 3.06Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-L425 PolarHBondContact O-N 2.72Å; Q422-Q426 PolarHBondContact O-N 3.08Å |
| 423 | N | 66.3 | Low | 67.5 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 176.7 | -70.5 | -15.7 | 0 | 0 | 0 | 111.6 | M419 A420 A427 | M419-N423 HydrophobicContact CE-CB 4.25Å; A420-N423 PolarHBondContact O-N 3.37Å; N423-A427 VanDerWaalsContact O-CB 3.31Å; N423-A427 WeakPolarHBondContact O-CB 3.33Å; N423-A427 PolarHBondContact O-N 3.39Å |
| 424 | V | 73.1 | Confident | 69.1 | Low | 60 Ų | 60 | 87.5 Ų | 87.5 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | M419 A420 S421 Q422 A427 Q428 | M419-V424 HydrophobicContact CB-CG2 3.73Å; A420-V424 PolarHBondContact O-N 3.25Å; S421-V424 PolarHBondContact O-N 3.18Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; V424-A427 WeakPolarHBondContact O-CB 2.81Å; V424-A427 PolarHBondContact O-N 2.85Å; V424-Q428 WeakPolarHBondContact O-CG 3.46Å; V424-Q428 PolarHBondContact O-N 3.37Å |
| 425 | L | 77 | Confident | 71 | Confident | 92 Ų | 92 | 87 Ų | 87 | 48% | 0.482 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.5 | -162.5 | 93.9 | 0 | 0 | 0 | 111.6 | S421 Q422 A427 Q428 K429 | S421-L425 PolarHBondContact O-N 3.25Å; S421-L425 VanDerWaalsContact O-N 3.09Å; Q422-L425 PolarHBondContact O-N 2.72Å; L425-A427 PolarHBondContact O-N 3.02Å; L425-Q428 PolarHBondContact O-N 3.37Å; L425-K429 WeakPolarHBondContact O-CG 3.21Å; L425-K429 PolarHBondContact O-N 2.57Å |
| 426 | Q | 75.3 | Confident | 72.8 | Confident | 95 Ų | 95 | 81.3 Ų | 81.3 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 178.5 | -166.8 | 174.4 | 8.6 | 0 | 0 | 111.8 | F311 Q422 Q428 K429 V430 | F311-Q426 HydrophobicContact CE1-CG 4.42Å; F311-Q426 HydrophobicContact CZ-CG 4.28Å; Q422-Q426 PolarHBondContact O-N 3.08Å; Q426-Q428 VanDerWaalsContact C-N 3.33Å; Q426-Q428 PolarHBondContact O-N 3.43Å; Q426-K429 PolarHBondContact O-N 3.37Å; Q426-V430 WeakPolarHBondContact O-CG2 3.34Å; Q426-V430 PolarHBondContact O-N 3.26Å |
| 427 | A | 76.4 | Confident | 74.4 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P411 N423 V424 L425 A431 | P411-A427 HydrophobicContact CG-CB 3.64Å; N423-A427 VanDerWaalsContact O-CB 3.31Å; N423-A427 WeakPolarHBondContact O-CB 3.33Å; N423-A427 PolarHBondContact O-N 3.39Å; V424-A427 WeakPolarHBondContact O-CB 2.81Å; V424-A427 PolarHBondContact O-N 2.85Å; L425-A427 PolarHBondContact O-N 3.02Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.16Å |
| 428 | Q | 80.8 | Confident | 76.3 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.1 | -73.3 | 176.2 | 0.6 | 0 | 0 | 111.8 | V424 L425 Q426 A431 R432 | V424-Q428 WeakPolarHBondContact O-CG 3.46Å; V424-Q428 PolarHBondContact O-N 3.37Å; L425-Q428 PolarHBondContact O-N 3.37Å; Q426-Q428 VanDerWaalsContact C-N 3.33Å; Q426-Q428 PolarHBondContact O-N 3.43Å; Q428-A431 PolarHBondContact O-N 3.19Å; Q428-R432 WeakPolarHBondContact O-CB 3.42Å; Q428-R432 VanDerWaalsContact O-CG 3.27Å; Q428-R432 WeakPolarHBondContact O-CG 3.31Å; Q428-R432 PolarHBondContact O-N 3.41Å |
| 429 | K | 85.5 | Confident | 78.1 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 175.4 | -70.4 | 179.4 | 176.5 | -168.7 | 0 | 111.5 | D310 F311 L425 Q426 A431 R432 L433 | D310-K429 IonicContact OD1-NZ 2.93Å; D310-K429 PolarHBondContact OD1-NZ 3.31Å; D310-K429 VanDerWaalsContact OD2-CD 3.32Å; D310-K429 WeakPolarHBondContact OD2-CD 3.49Å; D310-K429 WeakPolarHBondContact OD2-CE 3.44Å; D310-K429 IonicContact OD2-NZ 2.78Å; D310-K429 PolarHBondContact OD2-NZ 3.37Å; F311-K429 HydrophobicContact CE2-CB 3.92Å; F311-K429 HydrophobicContact CZ-CB 4.08Å; L425-K429 WeakPolarHBondContact O-CG 3.21Å; L425-K429 PolarHBondContact O-N 2.57Å; Q426-K429 PolarHBondContact O-N 3.37Å; K429-A431 VanDerWaalsContact C-N 3.34Å; K429-A431 PolarHBondContact O-N 2.9Å; K429-R432 PolarHBondContact O-N 3.39Å; K429-R432 VanDerWaalsContact O-N 3.17Å; K429-L433 WeakPolarHBondContact O-CG 2.98Å; K429-L433 PolarHBondContact O-N 3.12Å |
| 430 | V | 84.5 | Confident | 80 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 111 | F311 M392 P410 Q426 R432 L433 R434 | F311-V430 HydrophobicContact CE1-CG2 3.62Å; F311-V430 HydrophobicContact CE2-CG2 4.49Å; F311-V430 HydrophobicContact CZ-CG2 3.53Å; M392-V430 HydrophobicContact CG-CG1 3.96Å; M392-V430 HydrophobicContact SD-CG1 4.09Å; P410-V430 HydrophobicContact CG-CB 4.46Å; P410-V430 HydrophobicContact CG-CG1 3.88Å; Q426-V430 WeakPolarHBondContact O-CG2 3.34Å; Q426-V430 PolarHBondContact O-N 3.26Å; V430-R432 VanDerWaalsContact C-N 3.31Å; V430-R432 PolarHBondContact O-N 3.46Å; V430-L433 PolarHBondContact O-N 3.2Å; V430-R434 WeakPolarHBondContact O-CG 3.43Å; V430-R434 PolarHBondContact O-N 3.3Å |
| 431 | A | 83.3 | Confident | 81.3 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | A427 Q428 K429 | A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.16Å; Q428-A431 PolarHBondContact O-N 3.19Å; K429-A431 VanDerWaalsContact C-N 3.34Å; K429-A431 PolarHBondContact O-N 2.9Å |
| 432 | R | 86.4 | Confident | 82.6 | Confident | 187 Ų | 187 | 63.6 Ų | 63.6 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.9 | -43.2 | 174.9 | -75.5 | 174.2 | -176.8 | -135.6 | 2.8 | 112.1 | Q428 K429 V430 R434 V435 | Q428-R432 WeakPolarHBondContact O-CB 3.42Å; Q428-R432 VanDerWaalsContact O-CG 3.27Å; Q428-R432 WeakPolarHBondContact O-CG 3.31Å; Q428-R432 PolarHBondContact O-N 3.41Å; K429-R432 PolarHBondContact O-N 3.39Å; K429-R432 VanDerWaalsContact O-N 3.17Å; V430-R432 VanDerWaalsContact C-N 3.31Å; V430-R432 PolarHBondContact O-N 3.46Å; R432-R434 VanDerWaalsContact C-N 3.29Å; R432-R434 PolarHBondContact O-N 3.47Å; R432-V435 VanDerWaalsContact O-CB 3.25Å; R432-V435 WeakPolarHBondContact O-CB 3.5Å; R432-V435 VanDerWaalsContact O-CG2 3.26Å; R432-V435 WeakPolarHBondContact O-CG2 3.44Å; R432-V435 PolarHBondContact O-N 3.2Å |
| 433 | L | 88.9 | Confident | 84 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.6 | -27.8 | -178.8 | -66 | 175.2 | 0 | 0 | 0 | 112.7 | D307 F308 F311 M392 K429 V430 V435 H436 | D307-L433 HydrophobicContact CB-CD2 3.64Å; F308-L433 HydrophobicContact CD1-CD1 3.88Å; F308-L433 HydrophobicContact CD1-CD2 4.37Å; F308-L433 HydrophobicContact CD2-CD2 4.04Å; F308-L433 HydrophobicContact CE1-CB 3.98Å; F308-L433 HydrophobicContact CE1-CD1 3.94Å; F308-L433 HydrophobicContact CE1-CD2 4.13Å; F308-L433 HydrophobicContact CE1-CG 4.23Å; F308-L433 HydrophobicContact CE2-CD2 3.79Å; F308-L433 HydrophobicContact CG-CD1 4.34Å; F308-L433 HydrophobicContact CG-CD2 4.3Å; F308-L433 HydrophobicContact CZ-CB 4Å; F308-L433 HydrophobicContact CZ-CD1 4.45Å; F308-L433 HydrophobicContact CZ-CD2 3.8Å; F308-L433 HydrophobicContact CZ-CG 4.29Å; F311-L433 HydrophobicContact CD2-CD1 3.35Å; F311-L433 HydrophobicContact CE2-CD1 3.57Å; F311-L433 HydrophobicContact CG-CD1 4.33Å; M392-L433 HydrophobicContact CE-CB 4.2Å; M392-L433 HydrophobicContact CE-CD1 3.9Å; M392-L433 HydrophobicContact SD-CB 3.75Å; K429-L433 WeakPolarHBondContact O-CG 2.98Å; K429-L433 PolarHBondContact O-N 3.12Å; V430-L433 PolarHBondContact O-N 3.2Å; L433-V435 PolarHBondContact O-N 3.26Å; L433-H436 WeakPolarHBondContact O-CB 3.38Å; L433-H436 PolarHBondContact O-CD2 3.11Å; L433-H436 PolarHBondContact O-N 3.16Å; L433-H436 VanDerWaalsContact O-N 3.15Å |
| 434 | R | 87.3 | Confident | 85.2 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.9 | 171.6 | -78.1 | 174.2 | 44.4 | 82.5 | 7.2 | 114.5 | D394 V430 R432 H436 V437 E438 | D394-R434 IonicContact OD1-CZ 2.61Å; D394-R434 IonicContact OD1-NE 3.77Å; D394-R434 IonicContact OD1-NH1 2.65Å; D394-R434 IonicContact OD1-NH2 3.55Å; D394-R434 IonicContact OD2-CZ 3.15Å; D394-R434 IonicContact OD2-NH1 3.57Å; D394-R434 PolarHBondContact OD2-NH1 3.31Å; D394-R434 IonicContact OD2-NH2 3.22Å; D394-R434 PolarHBondContact OD2-NH2 3.5Å; V430-R434 WeakPolarHBondContact O-CG 3.43Å; V430-R434 PolarHBondContact O-N 3.3Å; R432-R434 VanDerWaalsContact C-N 3.29Å; R432-R434 PolarHBondContact O-N 3.47Å; R434-H436 PolarHBondContact O-N 3.48Å; R434-V437 VanDerWaalsContact O-CG1 3.26Å; R434-V437 WeakPolarHBondContact O-CG1 3.36Å; R434-V437 PolarHBondContact O-N 3.29Å; R434-V437 VanDerWaalsContact O-N 3.1Å; R434-E438 IonicContact CZ-OE1 2.7Å; R434-E438 IonicContact NE-OE1 3.96Å; R434-E438 IonicContact NH2-OE1 2.68Å; R434-E438 PolarHBondContact NH2-OE1 3.2Å; R434-E438 PolarHBondContact O-N 3.05Å; R434-E438 VanDerWaalsContact O-N 3.14Å |
| 435 | V | 86 | Confident | 85.9 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.1 | -25.5 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | R432 L433 E438 R439 | R432-V435 VanDerWaalsContact O-CB 3.25Å; R432-V435 WeakPolarHBondContact O-CB 3.5Å; R432-V435 VanDerWaalsContact O-CG2 3.26Å; R432-V435 WeakPolarHBondContact O-CG2 3.44Å; R432-V435 PolarHBondContact O-N 3.2Å; L433-V435 PolarHBondContact O-N 3.26Å; V435-E438 PolarHBondContact O-N 3.31Å; V435-R439 HydrophobicContact CG1-CG 4.05Å; V435-R439 VanDerWaalsContact CG1-NE 3.35Å; V435-R439 WeakPolarHBondContact O-CB 3.21Å; V435-R439 VanDerWaalsContact O-CG 3.23Å; V435-R439 WeakPolarHBondContact O-CG 3.46Å; V435-R439 PolarHBondContact O-N 3.37Å |
| 436 | H | 85.6 | Confident | 86.6 | Confident | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.4 | -56.1 | 174.4 | -70.6 | -119.7 | 0 | 0 | 0 | 111.6 | F308 I317 P355 L433 R434 E438 R439 V440 | F308-H436 AromaticContact CE2-CE1 3.84Å; I317-H436 HydrophobicContact CD1-CB 3.91Å; P355-H436 PolarHBondContact O-ND1 3.31Å; P355-H436 VanDerWaalsContact O-ND1 3.17Å; L433-H436 WeakPolarHBondContact O-CB 3.38Å; L433-H436 PolarHBondContact O-CD2 3.11Å; L433-H436 PolarHBondContact O-N 3.16Å; L433-H436 VanDerWaalsContact O-N 3.15Å; R434-H436 PolarHBondContact O-N 3.48Å; H436-E438 VanDerWaalsContact C-N 3.31Å; H436-E438 PolarHBondContact O-N 2.63Å; H436-R439 PolarHBondContact O-N 3.5Å; H436-V440 WeakPolarHBondContact O-CG2 3.47Å; H436-V440 PolarHBondContact O-N 3.05Å; H436-V440 VanDerWaalsContact O-N 3.13Å |
| 437 | V | 88.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68 | -32.7 | 180 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | I317 V353 R434 V440 T441 | I317-V437 HydrophobicContact CB-CB 4.29Å; I317-V437 HydrophobicContact CG2-CB 3.84Å; I317-V437 HydrophobicContact CG2-CG1 3.6Å; V353-V437 HydrophobicContact CB-CB 4.32Å; V353-V437 HydrophobicContact CB-CG2 4.25Å; V353-V437 HydrophobicContact CG2-CB 4.27Å; V353-V437 HydrophobicContact CG2-CG2 3.78Å; R434-V437 VanDerWaalsContact O-CG1 3.26Å; R434-V437 WeakPolarHBondContact O-CG1 3.36Å; R434-V437 PolarHBondContact O-N 3.29Å; R434-V437 VanDerWaalsContact O-N 3.1Å; V437-V440 PolarHBondContact O-N 3.41Å; V437-T441 VanDerWaalsContact O-CB 3.31Å; V437-T441 WeakPolarHBondContact O-CB 3.12Å; V437-T441 PolarHBondContact O-N 3.06Å; V437-T441 PolarHBondContact O-OG1 2.9Å |
| 438 | E | 89.6 | Confident | 88.1 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.2 | -68.4 | 171.6 | -174.6 | 0 | 0 | 111.6 | R434 V435 H436 T441 Q442 | R434-E438 IonicContact CZ-OE1 2.7Å; R434-E438 IonicContact NE-OE1 3.96Å; R434-E438 IonicContact NH2-OE1 2.68Å; R434-E438 PolarHBondContact NH2-OE1 3.2Å; R434-E438 PolarHBondContact O-N 3.05Å; R434-E438 VanDerWaalsContact O-N 3.14Å; V435-E438 PolarHBondContact O-N 3.31Å; H436-E438 VanDerWaalsContact C-N 3.31Å; H436-E438 PolarHBondContact O-N 2.63Å; E438-T441 PolarHBondContact O-N 3.19Å; E438-Q442 VanDerWaalsContact O-CB 3.31Å; E438-Q442 WeakPolarHBondContact O-CB 3.4Å; E438-Q442 PolarHBondContact O-N 3.47Å |
| 439 | R | 90.1 | Very high | 88.5 | Confident | 125 Ų | 125 | 48.4 Ų | 48.4 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.1 | -75.7 | 175.9 | -171.1 | 161.9 | 8.8 | 112 | V435 H436 Q442 R443 L480 | V435-R439 HydrophobicContact CG1-CG 4.05Å; V435-R439 VanDerWaalsContact CG1-NE 3.35Å; V435-R439 WeakPolarHBondContact O-CB 3.21Å; V435-R439 VanDerWaalsContact O-CG 3.23Å; V435-R439 WeakPolarHBondContact O-CG 3.46Å; V435-R439 PolarHBondContact O-N 3.37Å; H436-R439 PolarHBondContact O-N 3.5Å; R439-Q442 WeakPolarHBondContact O-CB 3.5Å; R439-Q442 PolarHBondContact O-N 3.12Å; R439-R443 WeakPolarHBondContact O-CG 3.3Å; R439-R443 PolarHBondContact O-N 3.29Å; R439-L480 HydrophobicContact CB-CD2 4.06Å |
| 440 | V | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | M351 V353 V359 H436 V437 Q442 R443 V444 V473 L480 | M351-V440 HydrophobicContact CE-CG1 4.48Å; M351-V440 HydrophobicContact SD-CB 4.31Å; M351-V440 HydrophobicContact SD-CG1 3.51Å; M351-V440 VanDerWaalsContact SD-CG1 3.51Å; V353-V440 HydrophobicContact CG1-CG2 3.85Å; V353-V440 HydrophobicContact CG2-CB 3.94Å; V353-V440 HydrophobicContact CG2-CG1 3.9Å; V353-V440 HydrophobicContact CG2-CG2 4.06Å; V359-V440 HydrophobicContact CG2-CG1 3.43Å; V359-V440 VanDerWaalsContact CG2-CG1 3.43Å; H436-V440 WeakPolarHBondContact O-CG2 3.47Å; H436-V440 PolarHBondContact O-N 3.05Å; H436-V440 VanDerWaalsContact O-N 3.13Å; V437-V440 PolarHBondContact O-N 3.41Å; V440-Q442 PolarHBondContact O-N 3.38Å; V440-R443 WeakPolarHBondContact O-CB 3.47Å; V440-R443 PolarHBondContact O-N 3.06Å; V440-R443 VanDerWaalsContact O-N 3.11Å; V440-V444 PolarHBondContact O-N 3Å; V440-V444 VanDerWaalsContact O-N 3.11Å; V440-V473 HydrophobicContact CG1-CG1 4.09Å; V440-L480 HydrophobicContact CG2-CD1 3.44Å; V440-L480 VanDerWaalsContact CG2-CD1 3.44Å |
| 441 | T | 88.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | V437 E438 V444 K445 | V437-T441 VanDerWaalsContact O-CB 3.31Å; V437-T441 WeakPolarHBondContact O-CB 3.12Å; V437-T441 PolarHBondContact O-N 3.06Å; V437-T441 PolarHBondContact O-OG1 2.9Å; E438-T441 PolarHBondContact O-N 3.19Å; T441-V444 PolarHBondContact O-N 3.2Å; T441-K445 WeakPolarHBondContact O-CG 3.34Å; T441-K445 PolarHBondContact O-N 3.34Å; T441-K445 VanDerWaalsContact O-N 3.07Å |
| 442 | Q | 89.3 | Confident | 88.2 | Confident | 103 Ų | 103 | 50.4 Ų | 50.4 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.4 | -174.9 | 58.9 | 27 | 0 | 0 | 111.9 | E438 R439 V440 V444 K445 E446 | E438-Q442 VanDerWaalsContact O-CB 3.31Å; E438-Q442 WeakPolarHBondContact O-CB 3.4Å; E438-Q442 PolarHBondContact O-N 3.47Å; R439-Q442 WeakPolarHBondContact O-CB 3.5Å; R439-Q442 PolarHBondContact O-N 3.12Å; V440-Q442 PolarHBondContact O-N 3.38Å; Q442-V444 VanDerWaalsContact C-N 3.27Å; Q442-V444 PolarHBondContact O-N 3.47Å; Q442-K445 CarbonylContact O-C 3.58Å; Q442-K445 WeakPolarHBondContact O-CA 3.27Å; Q442-K445 WeakPolarHBondContact O-CB 3.36Å; Q442-K445 PolarHBondContact O-N 3.07Å; Q442-E446 WeakPolarHBondContact O-CG 3.44Å; Q442-E446 PolarHBondContact O-N 3.28Å |
| 443 | R | 90.8 | Very high | 87.8 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -38.2 | 174.4 | -71.4 | 171.2 | 176.7 | -175 | -2.2 | 112.3 | R439 V440 E446 V473 K478 | R439-R443 WeakPolarHBondContact O-CG 3.3Å; R439-R443 PolarHBondContact O-N 3.29Å; V440-R443 WeakPolarHBondContact O-CB 3.47Å; V440-R443 PolarHBondContact O-N 3.06Å; V440-R443 VanDerWaalsContact O-N 3.11Å; R443-E446 WeakPolarHBondContact O-CB 2.9Å; R443-E446 PolarHBondContact O-N 3.08Å; R443-V473 HydrophobicContact CB-CG1 4.22Å; R443-V473 HydrophobicContact CB-CG2 4.31Å; R443-K478 PolarHBondContact NH1-O 3.47Å |
| 444 | V | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | M351 V440 T441 Q442 E446 N447 F450 F466 A469 C470 V473 | M351-V444 HydrophobicContact CE-CB 4.41Å; M351-V444 HydrophobicContact CE-CG2 3.57Å; V440-V444 PolarHBondContact O-N 3Å; V440-V444 VanDerWaalsContact O-N 3.11Å; T441-V444 PolarHBondContact O-N 3.2Å; Q442-V444 VanDerWaalsContact C-N 3.27Å; Q442-V444 PolarHBondContact O-N 3.47Å; V444-E446 PolarHBondContact O-N 3.45Å; V444-N447 WeakPolarHBondContact O-CB 3.14Å; V444-N447 PolarHBondContact O-N 3.35Å; V444-N447 PolarHBondContact O-ND2 2.83Å; V444-F450 HydrophobicContact CG1-CD2 4.35Å; V444-F450 HydrophobicContact CG1-CE2 4.17Å; V444-F466 HydrophobicContact CG1-CD2 4.36Å; V444-F466 HydrophobicContact CG1-CE2 4.09Å; V444-A469 HydrophobicContact CG1-CB 4.26Å; V444-C470 HydrophobicContact CG2-CB 4.39Å; V444-V473 HydrophobicContact CG2-CG2 3.61Å |
| 445 | K | 88.3 | Confident | 86.4 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 32% | 0.317 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.3 | -18.9 | 178.2 | -70 | -179.2 | 177.8 | 178.8 | 0 | 114 | S321 T441 Q442 N447 | S321-K445 WeakPolarHBondContact OG-CE 3.3Å; T441-K445 WeakPolarHBondContact O-CG 3.34Å; T441-K445 PolarHBondContact O-N 3.34Å; T441-K445 VanDerWaalsContact O-N 3.07Å; Q442-K445 CarbonylContact O-C 3.58Å; Q442-K445 WeakPolarHBondContact O-CA 3.27Å; Q442-K445 WeakPolarHBondContact O-CB 3.36Å; Q442-K445 PolarHBondContact O-N 3.07Å; K445-N447 PolarHBondContact O-N 3.22Å |
| 446 | E | 90.6 | Very high | 85.3 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.2 | 173 | -74.3 | 172.6 | -164.5 | 0 | 0 | 113.3 | R193 Q442 R443 V444 K448 | R193-E446 PolarHBondContact NH1-O 2.65Å; Q442-E446 WeakPolarHBondContact O-CG 3.44Å; Q442-E446 PolarHBondContact O-N 3.28Å; R443-E446 WeakPolarHBondContact O-CB 2.9Å; R443-E446 PolarHBondContact O-N 3.08Å; V444-E446 PolarHBondContact O-N 3.45Å; E446-K448 PolarHBondContact O-N 3.3Å; E446-K448 VanDerWaalsContact O-N 3.16Å |
| 447 | N | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -66.4 | 110.4 | 169.6 | -68.8 | -75.7 | 0 | 0 | 0 | 109.3 | L253 A254 V444 K445 L449 F450 | L253-N447 HydrophobicContact CG-CB 4.46Å; L253-N447 WeakPolarHBondContact O-CB 3.22Å; A254-N447 WeakPolarHBondContact CA-OD1 3.42Å; V444-N447 WeakPolarHBondContact O-CB 3.14Å; V444-N447 PolarHBondContact O-N 3.35Å; V444-N447 PolarHBondContact O-ND2 2.83Å; K445-N447 PolarHBondContact O-N 3.22Å; N447-L449 PolarHBondContact O-N 2.86Å; N447-F450 HydrophobicContact CB-CD2 3.82Å; N447-F450 HydrophobicContact CB-CE2 4.02Å; N447-F450 PolarHBondContact O-N 3.25Å |
| 448 | K | 91.8 | Very high | 83.2 | Confident | 93 Ų | 93 | 50 Ų | 50 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -61.5 | -17.4 | -174.6 | -63.2 | -56 | -180 | -176.8 | 0 | 113.8 | A254 E446 F450 D451 | A254-K448 WeakPolarHBondContact O-CB 3.41Å; A254-K448 VanDerWaalsContact O-CG 3.28Å; A254-K448 WeakPolarHBondContact O-CG 3.12Å; A254-K448 PolarHBondContact O-N 3.45Å; E446-K448 PolarHBondContact O-N 3.3Å; E446-K448 VanDerWaalsContact O-N 3.16Å; K448-F450 PolarHBondContact O-N 2.86Å; K448-D451 WeakPolarHBondContact CD-OD2 3.46Å; K448-D451 WeakPolarHBondContact CE-OD2 3.5Å; K448-D451 IonicContact NZ-OD2 3.29Å; K448-D451 PolarHBondContact NZ-OD2 2.82Å; K448-D451 PolarHBondContact O-N 2.8Å |
| 449 | L | 89.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -56.6 | -36.7 | 170 | -173.2 | 66.4 | 0 | 0 | 0 | 112.5 | Y252 L253 N447 M458 L465 | Y252-L449 HydrophobicContact CD1-CD2 4.35Å; Y252-L449 HydrophobicContact CE1-CD1 4.28Å; Y252-L449 HydrophobicContact CE1-CD2 3.95Å; L253-L449 HydrophobicContact CD1-CB 4.36Å; L253-L449 HydrophobicContact CD1-CD2 3.71Å; L253-L449 VanDerWaalsContact O-CB 3.3Å; L253-L449 WeakPolarHBondContact O-CB 3.47Å; L253-L449 PolarHBondContact O-N 2.97Å; N447-L449 PolarHBondContact O-N 2.86Å; L449-M458 HydrophobicContact CD1-CE 3.81Å; L449-M458 HydrophobicContact CD2-CE 4.12Å; L449-M458 HydrophobicContact CG-CE 4.38Å; L449-L465 HydrophobicContact CD2-CD1 4.11Å |
| 450 | F | 88.4 | Confident | 80.9 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -89.9 | -8.9 | -177.5 | -55.2 | -46.2 | 0 | 0 | 0 | 114.2 | L253 L323 V444 N447 K448 S452 I454 I462 F466 A469 | L253-F450 HydrophobicContact CD1-CE2 4.2Å; L253-F450 HydrophobicContact CD1-CZ 3.93Å; L323-F450 HydrophobicContact CD1-CD1 4.31Å; L323-F450 HydrophobicContact CD1-CE1 4.41Å; L323-F450 HydrophobicContact CD2-CB 3.82Å; L323-F450 HydrophobicContact CD2-CD1 3.83Å; L323-F450 HydrophobicContact CD2-CD2 4.44Å; L323-F450 HydrophobicContact CD2-CG 3.77Å; V444-F450 HydrophobicContact CG1-CD2 4.35Å; V444-F450 HydrophobicContact CG1-CE2 4.17Å; N447-F450 HydrophobicContact CB-CD2 3.82Å; N447-F450 HydrophobicContact CB-CE2 4.02Å; N447-F450 PolarHBondContact O-N 3.25Å; K448-F450 PolarHBondContact O-N 2.86Å; F450-S452 VanDerWaalsContact C-N 3.34Å; F450-I454 HydrophobicContact CD1-CD1 4.28Å; F450-I462 HydrophobicContact CD1-CD1 4.35Å; F450-I462 HydrophobicContact CE1-CD1 3.86Å; F450-F466 HydrophobicContact CZ-CB 4.5Å; F450-A469 HydrophobicContact CE2-CB 3.54Å; F450-A469 HydrophobicContact CZ-CB 3.89Å |
| 451 | D | 83.6 | Confident | 80.5 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -33.2 | 176.8 | -83.5 | -6 | 0 | 0 | 0 | 112 | K448 | K448-D451 WeakPolarHBondContact CD-OD2 3.46Å; K448-D451 WeakPolarHBondContact CE-OD2 3.5Å; K448-D451 IonicContact NZ-OD2 3.29Å; K448-D451 PolarHBondContact NZ-OD2 2.82Å; K448-D451 PolarHBondContact O-N 2.8Å |
| 452 | S | 75.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -100.2 | 163.3 | -176 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | F450 I454 | F450-S452 VanDerWaalsContact C-N 3.34Å; S452-I454 PolarHBondContact O-N 3.44Å; S452-I454 VanDerWaalsContact O-N 3.12Å |
| 453 | V | 76.6 | Confident | 80.4 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | trans | -69.1 | 112.2 | 177 | -168.5 | 0 | 0 | 0 | 0 | 109.1 | Q326 Q344 | Q326-V453 HydrophobicContact CB-CG1 4.32Å; Q326-V453 HydrophobicContact CG-CB 4.33Å; Q326-V453 HydrophobicContact CG-CG1 3.47Å; Q326-V453 VanDerWaalsContact CG-CG1 3.47Å; Q344-V453 HydrophobicContact CG-CG1 4.32Å | ||
| 454 | I | 76.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -63.8 | 125.6 | -176.3 | -63.2 | 147.8 | 0 | 0 | 0 | 109.9 | L323 R324 Q326 F450 S452 M458 I462 | L323-I454 HydrophobicContact CB-CD1 4.33Å; R324-I454 PolarHBondContact O-N 2.68Å; Q326-I454 WeakPolarHBondContact CG-O 3.33Å; Q326-I454 PolarHBondContact N-O 3.32Å; F450-I454 HydrophobicContact CD1-CD1 4.28Å; S452-I454 PolarHBondContact O-N 3.44Å; S452-I454 VanDerWaalsContact O-N 3.12Å; I454-M458 HydrophobicContact CG2-CB 3.83Å; I454-M458 HydrophobicContact CG2-CE 4.32Å; I454-M458 HydrophobicContact CG2-SD 4.46Å; I454-I462 HydrophobicContact CD1-CD1 3.44Å; I454-I462 VanDerWaalsContact CD1-CD1 3.44Å; I454-I462 HydrophobicContact CD1-CG1 4Å; I454-I462 HydrophobicContact CG1-CD1 4.25Å; I454-I462 HydrophobicContact CG2-CD1 4.26Å |
| 455 | P | 69.8 | Low | 80.6 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 25% | 0.253 | 27% | 0.269 | S | S | . | . | trans | -59.6 | 147.7 | 177.7 | -24 | 33.7 | 0 | 0 | 0 | 113 | S457 M458 | P455-S457 PolarHBondContact O-N 3.13Å; P455-M458 HydrophobicContact CG-SD 4.34Å; P455-M458 WeakPolarHBondContact O-CB 3.5Å; P455-M458 PolarHBondContact O-N 3.23Å | ||
| 456 | S | 63.4 | Low | 80.8 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -62.3 | -26.8 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | M458 A459 | S456-M458 PolarHBondContact O-N 3.24Å; S456-A459 VanDerWaalsContact O-CB 3.31Å; S456-A459 WeakPolarHBondContact O-CB 3.48Å; S456-A459 PolarHBondContact O-N 2.91Å; S456-A459 VanDerWaalsContact O-N 3.14Å |
| 457 | S | 64.4 | Low | 81 | Confident | 109 Ų | 109 | 38.9 Ų | 38.9 | 76% | 0.762 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -61.3 | -23.2 | 173.3 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | P455 | P455-S457 PolarHBondContact O-N 3.13Š|
| 458 | M | 66.9 | Low | 81.2 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -96.8 | -9 | 178.7 | -65.5 | -178.3 | 53 | 0 | 0 | 113.5 | Y252 L449 I454 P455 S456 G460 N461 I462 L465 | Y252-M458 HydrophobicContact CE1-CE 4.07Å; Y252-M458 WeakPolarHBondContact OH-CE 3.28Å; Y252-M458 PolarHBondContact OH-SD 2.98Å; L449-M458 HydrophobicContact CD1-CE 3.81Å; L449-M458 HydrophobicContact CD2-CE 4.12Å; L449-M458 HydrophobicContact CG-CE 4.38Å; I454-M458 HydrophobicContact CG2-CB 3.83Å; I454-M458 HydrophobicContact CG2-CE 4.32Å; I454-M458 HydrophobicContact CG2-SD 4.46Å; P455-M458 HydrophobicContact CG-SD 4.34Å; P455-M458 WeakPolarHBondContact O-CB 3.5Å; P455-M458 PolarHBondContact O-N 3.23Å; S456-M458 PolarHBondContact O-N 3.24Å; M458-G460 PolarHBondContact O-N 3.46Å; M458-G460 VanDerWaalsContact O-N 3.15Å; M458-N461 PolarHBondContact O-N 2.88Å; M458-I462 PolarHBondContact O-N 3.01Å; M458-L465 HydrophobicContact CE-CD1 3.79Å |
| 459 | A | 60.9 | Low | 81.4 | Confident | 42 Ų | 42 | 34.5 Ų | 34.5 | 35% | 0.347 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | S456 N461 I462 | S456-A459 VanDerWaalsContact O-CB 3.31Å; S456-A459 WeakPolarHBondContact O-CB 3.48Å; S456-A459 PolarHBondContact O-N 2.91Å; S456-A459 VanDerWaalsContact O-N 3.14Å; A459-N461 VanDerWaalsContact C-N 3.28Å; A459-N461 PolarHBondContact O-N 3.29Å; A459-I462 VanDerWaalsContact O-CG2 3.25Å; A459-I462 WeakPolarHBondContact O-CG2 3.42Å |
| 460 | G | 68.6 | Low | 81.6 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 73% | 0.732 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M458 | M458-G460 PolarHBondContact O-N 3.46Å; M458-G460 VanDerWaalsContact O-N 3.15Å |
| 461 | N | 82.7 | Confident | 82 | Confident | 45 Ų | 45 | 33.8 Ų | 33.8 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -1.3 | -177 | -72.2 | -22.5 | 0 | 0 | 0 | 113.4 | M458 A459 N463 K464 L465 | M458-N461 PolarHBondContact O-N 2.88Å; A459-N461 VanDerWaalsContact C-N 3.28Å; A459-N461 PolarHBondContact O-N 3.29Å; N461-N463 VanDerWaalsContact C-N 3.27Å; N461-N463 PolarHBondContact O-N 2.97Å; N461-K464 WeakPolarHBondContact O-CB 3.09Å; N461-K464 PolarHBondContact O-N 3.1Å; N461-L465 HydrophobicContact CB-CD1 4.48Å; N461-L465 WeakPolarHBondContact O-CG 3.39Å; N461-L465 PolarHBondContact O-N 3.23Å |
| 462 | I | 87 | Confident | 82.5 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -36 | -173.4 | -169.3 | 53 | 0 | 0 | 0 | 112.8 | L323 M347 L365 F450 I454 M458 A459 K464 L465 F466 | L323-I462 HydrophobicContact CD1-CD1 4.26Å; L323-I462 HydrophobicContact CD1-CG1 4.2Å; M347-I462 HydrophobicContact CE-CG2 4.44Å; M347-I462 HydrophobicContact SD-CG2 3.83Å; L365-I462 HydrophobicContact CD1-CB 4.49Å; L365-I462 HydrophobicContact CD1-CG1 3.94Å; L365-I462 HydrophobicContact CD1-CG2 4.04Å; F450-I462 HydrophobicContact CD1-CD1 4.35Å; F450-I462 HydrophobicContact CE1-CD1 3.86Å; I454-I462 HydrophobicContact CD1-CD1 3.44Å; I454-I462 VanDerWaalsContact CD1-CD1 3.44Å; I454-I462 HydrophobicContact CD1-CG1 4Å; I454-I462 HydrophobicContact CG1-CD1 4.25Å; I454-I462 HydrophobicContact CG2-CD1 4.26Å; M458-I462 PolarHBondContact O-N 3.01Å; A459-I462 VanDerWaalsContact O-CG2 3.25Å; A459-I462 WeakPolarHBondContact O-CG2 3.42Å; I462-K464 VanDerWaalsContact C-N 3.32Å; I462-K464 PolarHBondContact O-N 2.95Å; I462-L465 PolarHBondContact O-N 3.03Å; I462-F466 VanDerWaalsContact O-CB 3.3Å; I462-F466 WeakPolarHBondContact O-CB 3.34Å; I462-F466 PolarHBondContact O-N 3.24Å |
| 463 | N | 89.8 | Confident | 83.4 | Confident | 39 Ų | 39 | 26.9 Ų | 26.9 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 176.1 | -165.2 | 63.6 | 0 | 0 | 0 | 111.7 | S364 L365 N461 T467 | S364-N463 WeakPolarHBondContact CA-OD1 3.35Å; L365-N463 PolarHBondContact N-OD1 3.12Å; N461-N463 VanDerWaalsContact C-N 3.27Å; N461-N463 PolarHBondContact O-N 2.97Å; N463-T467 WeakPolarHBondContact O-CB 3.25Å; N463-T467 PolarHBondContact O-N 3.44Å; N463-T467 PolarHBondContact O-OG1 2.74Å |
| 464 | K | 92.4 | Very high | 84.2 | Confident | 59 Ų | 59 | 27.6 Ų | 27.6 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.6 | -48 | 178.1 | -62.5 | 177.9 | -178.5 | 168.3 | 0 | 110.8 | D282 Y285 N461 I462 F466 T467 V468 | D282-K464 WeakPolarHBondContact OD1-CD 3.36Å; D282-K464 WeakPolarHBondContact OD1-CE 3.41Å; D282-K464 IonicContact OD1-NZ 2.65Å; D282-K464 PolarHBondContact OD1-NZ 3.15Å; D282-K464 IonicContact OD2-NZ 2.79Å; Y285-K464 HydrophobicContact CD1-CG 4.17Å; Y285-K464 HydrophobicContact CD2-CB 3.93Å; Y285-K464 HydrophobicContact CD2-CG 3.95Å; Y285-K464 HydrophobicContact CE1-CG 4.48Å; Y285-K464 HydrophobicContact CE2-CG 4.26Å; Y285-K464 HydrophobicContact CG-CB 4.07Å; Y285-K464 HydrophobicContact CG-CG 3.89Å; N461-K464 WeakPolarHBondContact O-CB 3.09Å; N461-K464 PolarHBondContact O-N 3.1Å; I462-K464 VanDerWaalsContact C-N 3.32Å; I462-K464 PolarHBondContact O-N 2.95Å; K464-F466 PolarHBondContact O-N 3.05Å; K464-T467 PolarHBondContact O-N 2.69Å; K464-V468 WeakPolarHBondContact O-CB 3.38Å; K464-V468 VanDerWaalsContact O-CG2 3.27Å; K464-V468 WeakPolarHBondContact O-CG2 3.39Å; K464-V468 PolarHBondContact O-N 3.22Å |
| 465 | L | 93.3 | Very high | 85 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 179.3 | -69.3 | 169 | 0 | 0 | 0 | 112.1 | F249 Y252 A281 L449 M458 N461 I462 A469 | F249-L465 HydrophobicContact CE2-CD2 3.81Å; F249-L465 HydrophobicContact CZ-CD2 4.12Å; Y252-L465 HydrophobicContact CE1-CD1 4.37Å; Y252-L465 HydrophobicContact CE1-CD2 4.39Å; A281-L465 HydrophobicContact CB-CD2 3.94Å; L449-L465 HydrophobicContact CD2-CD1 4.11Å; M458-L465 HydrophobicContact CE-CD1 3.79Å; N461-L465 HydrophobicContact CB-CD1 4.48Å; N461-L465 WeakPolarHBondContact O-CG 3.39Å; N461-L465 PolarHBondContact O-N 3.23Å; I462-L465 PolarHBondContact O-N 3.03Å; L465-A469 VanDerWaalsContact O-CB 3.32Å; L465-A469 WeakPolarHBondContact O-CB 3.28Å; L465-A469 PolarHBondContact O-N 3.45Å |
| 466 | F | 93.9 | Very high | 86 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -47.5 | 175.6 | 176.8 | -106.7 | 0 | 0 | 0 | 111.6 | L323 V362 L365 V444 F450 I462 K464 V468 A469 C470 | L323-F466 HydrophobicContact CD1-CB 4.07Å; L323-F466 HydrophobicContact CD1-CD2 3.69Å; L323-F466 HydrophobicContact CD1-CE2 4.41Å; L323-F466 HydrophobicContact CD1-CG 4.03Å; L323-F466 HydrophobicContact CD2-CD2 4.28Å; L323-F466 HydrophobicContact CG-CD2 4.29Å; V362-F466 HydrophobicContact CG1-CD1 4.35Å; V362-F466 HydrophobicContact CG1-CE1 3.99Å; L365-F466 HydrophobicContact CD1-CB 3.91Å; L365-F466 HydrophobicContact CD1-CD1 4.42Å; L365-F466 HydrophobicContact CD1-CG 4.25Å; L365-F466 HydrophobicContact CD2-CB 4.46Å; L365-F466 HydrophobicContact CD2-CD1 3.58Å; L365-F466 HydrophobicContact CD2-CD2 4.41Å; L365-F466 HydrophobicContact CD2-CE1 3.83Å; L365-F466 HydrophobicContact CD2-CG 3.88Å; L365-F466 HydrophobicContact CD2-CZ 4.34Å; L365-F466 HydrophobicContact CG-CB 4.34Å; L365-F466 HydrophobicContact CG-CD1 3.92Å; L365-F466 HydrophobicContact CG-CG 4.23Å; V444-F466 HydrophobicContact CG1-CD2 4.36Å; V444-F466 HydrophobicContact CG1-CE2 4.09Å; F450-F466 HydrophobicContact CZ-CB 4.5Å; I462-F466 VanDerWaalsContact O-CB 3.3Å; I462-F466 WeakPolarHBondContact O-CB 3.34Å; I462-F466 PolarHBondContact O-N 3.24Å; K464-F466 PolarHBondContact O-N 3.05Å; F466-V468 PolarHBondContact O-N 3.25Å; F466-A469 PolarHBondContact O-N 3Å; F466-C470 VanDerWaalsContact CZ-SG 3.53Å; F466-C470 PolarHBondContact O-N 3.26Å; F466-C470 PolarHBondContact O-SG 3.01Å |
| 467 | T | 94.8 | Very high | 86.7 | Confident | 15 Ų | 15 | 27.4 Ų | 27.4 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | Y285 V362 N463 K464 A469 C470 L471 | Y285-T467 HydrophobicContact CD2-CG2 3.96Å; Y285-T467 HydrophobicContact CE2-CG2 3.8Å; V362-T467 HydrophobicContact CG1-CG2 4.41Å; N463-T467 WeakPolarHBondContact O-CB 3.25Å; N463-T467 PolarHBondContact O-N 3.44Å; N463-T467 PolarHBondContact O-OG1 2.74Å; K464-T467 PolarHBondContact O-N 2.69Å; T467-A469 VanDerWaalsContact C-N 3.35Å; T467-A469 PolarHBondContact O-N 2.85Å; T467-C470 PolarHBondContact O-N 2.9Å; T467-L471 HydrophobicContact CG2-CD1 3.85Å; T467-L471 HydrophobicContact CG2-CG 4.33Å; T467-L471 VanDerWaalsContact O-CG 3.29Å; T467-L471 WeakPolarHBondContact O-CG 3.44Å; T467-L471 PolarHBondContact O-N 3Å |
| 468 | V | 95.8 | Very high | 87 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 111 | F249 L284 K464 F466 C470 L471 L472 | F249-V468 HydrophobicContact CE1-CG1 4Å; F249-V468 HydrophobicContact CZ-CG1 3.96Å; L284-V468 HydrophobicContact CB-CG1 3.9Å; L284-V468 HydrophobicContact CB-CG2 3.86Å; L284-V468 HydrophobicContact CD1-CG1 4.03Å; K464-V468 WeakPolarHBondContact O-CB 3.38Å; K464-V468 VanDerWaalsContact O-CG2 3.27Å; K464-V468 WeakPolarHBondContact O-CG2 3.39Å; K464-V468 PolarHBondContact O-N 3.22Å; F466-V468 PolarHBondContact O-N 3.25Å; V468-C470 VanDerWaalsContact C-N 3.33Å; V468-C470 PolarHBondContact O-N 2.94Å; V468-L471 PolarHBondContact O-N 3.32Å; V468-L472 HydrophobicContact CG1-CD1 3.63Å; V468-L472 HydrophobicContact CG1-CG 4.1Å; V468-L472 WeakPolarHBondContact O-CB 3.42Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 3.31Å |
| 469 | A | 95.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L253 V444 F450 L465 F466 T467 V473 | L253-A469 HydrophobicContact CD1-CB 4.26Å; L253-A469 HydrophobicContact CD2-CB 4.08Å; V444-A469 HydrophobicContact CG1-CB 4.26Å; F450-A469 HydrophobicContact CE2-CB 3.54Å; F450-A469 HydrophobicContact CZ-CB 3.89Å; L465-A469 VanDerWaalsContact O-CB 3.32Å; L465-A469 WeakPolarHBondContact O-CB 3.28Å; L465-A469 PolarHBondContact O-N 3.45Å; F466-A469 PolarHBondContact O-N 3Å; T467-A469 VanDerWaalsContact C-N 3.35Å; T467-A469 PolarHBondContact O-N 2.85Å; A469-V473 WeakPolarHBondContact O-CG2 3.36Å; A469-V473 PolarHBondContact O-N 3.27Å |
| 470 | C | 94.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.6 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | M351 V362 V444 F466 T467 V468 V473 | M351-C470 HydrophobicContact CE-CB 4.04Å; M351-C470 WeakPolarHBondContact CE-SG 3.29Å; V362-C470 HydrophobicContact CB-CB 4.44Å; V362-C470 HydrophobicContact CG1-CB 3.95Å; V362-C470 HydrophobicContact CG2-CB 3.55Å; V444-C470 HydrophobicContact CG2-CB 4.39Å; F466-C470 VanDerWaalsContact CZ-SG 3.53Å; F466-C470 PolarHBondContact O-N 3.26Å; F466-C470 PolarHBondContact O-SG 3.01Å; T467-C470 PolarHBondContact O-N 2.9Å; V468-C470 VanDerWaalsContact C-N 3.33Å; V468-C470 PolarHBondContact O-N 2.94Å; C470-V473 WeakPolarHBondContact O-CB 3.41Å; C470-V473 PolarHBondContact O-N 3.18Å |
| 471 | L | 95.2 | Very high | 87.2 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -33.5 | -178.1 | -64 | 177.3 | 0 | 0 | 0 | 112.6 | L288 I293 V362 T467 V468 V473 N474 | L288-L471 HydrophobicContact CB-CB 4.02Å; L288-L471 HydrophobicContact CB-CD1 3.55Å; L288-L471 HydrophobicContact CB-CG 4.41Å; L288-L471 HydrophobicContact CD1-CB 3.95Å; I293-L471 HydrophobicContact CD1-CD2 3.45Å; I293-L471 VanDerWaalsContact CD1-CD2 3.45Å; I293-L471 HydrophobicContact CG2-CD2 4.45Å; V362-L471 HydrophobicContact CG2-CD2 4.05Å; V362-L471 HydrophobicContact CG2-CG 4.49Å; T467-L471 HydrophobicContact CG2-CD1 3.85Å; T467-L471 HydrophobicContact CG2-CG 4.33Å; T467-L471 VanDerWaalsContact O-CG 3.29Å; T467-L471 WeakPolarHBondContact O-CG 3.44Å; T467-L471 PolarHBondContact O-N 3Å; V468-L471 PolarHBondContact O-N 3.32Å; L471-V473 PolarHBondContact O-N 3.14Å; L471-N474 PolarHBondContact O-N 3.24Å |
| 472 | L | 95.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -23.8 | 175.9 | -76.9 | 173.4 | 0 | 0 | 0 | 113 | F194 F203 L253 L288 V468 N474 Y475 Q476 | F194-L472 HydrophobicContact CZ-CD2 4.5Å; F203-L472 HydrophobicContact CE1-CD2 3.92Å; F203-L472 HydrophobicContact CE2-CD2 4.01Å; F203-L472 HydrophobicContact CZ-CD2 3.5Å; F203-L472 VanDerWaalsContact CZ-CD2 3.5Å; L253-L472 HydrophobicContact CD2-CD1 4.14Å; L288-L472 HydrophobicContact CD1-CD2 4.03Å; L288-L472 HydrophobicContact CD1-CG 4.09Å; V468-L472 HydrophobicContact CG1-CD1 3.63Å; V468-L472 HydrophobicContact CG1-CG 4.1Å; V468-L472 WeakPolarHBondContact O-CB 3.42Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 3.31Å; L472-N474 PolarHBondContact O-N 2.96Å; L472-N474 VanDerWaalsContact O-N 3.14Å; L472-Y475 PolarHBondContact O-N 2.97Å; L472-Q476 HydrophobicContact CB-CG 4.35Å; L472-Q476 WeakPolarHBondContact O-CB 3.44Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.28Å; L472-Q476 PolarHBondContact O-N 3.32Å |
| 473 | V | 93.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.2 | -33.8 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | V359 V440 R443 V444 A469 C470 L471 Y475 | V359-V473 HydrophobicContact CG2-CB 4.41Å; V440-V473 HydrophobicContact CG1-CG1 4.09Å; R443-V473 HydrophobicContact CB-CG1 4.22Å; R443-V473 HydrophobicContact CB-CG2 4.31Å; V444-V473 HydrophobicContact CG2-CG2 3.61Å; A469-V473 WeakPolarHBondContact O-CG2 3.36Å; A469-V473 PolarHBondContact O-N 3.27Å; C470-V473 WeakPolarHBondContact O-CB 3.41Å; C470-V473 PolarHBondContact O-N 3.18Å; L471-V473 PolarHBondContact O-N 3.14Å; V473-Y475 PolarHBondContact O-N 3.47Å |
| 474 | N | 93.1 | Very high | 87.3 | Confident | 58 Ų | 58 | 34.1 Ų | 34.1 | 31% | 0.31 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.3 | -19.5 | 177.6 | -71 | -12.7 | 0 | 0 | 0 | 113.6 | V359 L471 L472 | V359-N474 WeakPolarHBondContact CB-OD1 3.46Å; V359-N474 PolarHBondContact N-OD1 3.14Å; V359-N474 PolarHBondContact O-ND2 3.03Å; L471-N474 PolarHBondContact O-N 3.24Å; L472-N474 PolarHBondContact O-N 2.96Å; L472-N474 VanDerWaalsContact O-N 3.14Å |
| 475 | Y | 93.1 | Very high | 87 | Confident | 68 Ų | 68 | 32.6 Ų | 32.6 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -110.7 | -25.4 | -177.9 | -59.3 | -86.5 | 0 | 0 | 0 | 113.1 | F194 F203 L206 L288 L291 L472 V473 | F194-Y475 WeakPolarHBondContact CD1-O 2.99Å; F194-Y475 WeakPolarHBondContact CE1-O 3.41Å; F203-Y475 AromaticContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD2 4.32Å; F203-Y475 HydrophobicContact CD2-CE1 4.34Å; F203-Y475 AromaticContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CE2-CD1 4.24Å; F203-Y475 HydrophobicContact CE2-CD2 4.1Å; F203-Y475 HydrophobicContact CE2-CE2 4.41Å; F203-Y475 HydrophobicContact CE2-CG 4.01Å; L206-Y475 HydrophobicContact CD2-CE1 3.84Å; L288-Y475 HydrophobicContact CD2-CE2 3.97Å; L291-Y475 VanDerWaalsContact CD1-OH 3.29Å; L291-Y475 WeakPolarHBondContact CD1-OH 3.5Å; L472-Y475 PolarHBondContact O-N 2.97Å; V473-Y475 PolarHBondContact O-N 3.47Å |
| 476 | Q | 91.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -78.2 | -35.7 | -172 | -80 | 171.5 | -20.7 | 0 | 0 | 113.4 | T192 R193 F194 E195 L472 | T192-Q476 PolarHBondContact O-NE2 3.28Å; T192-Q476 VanDerWaalsContact O-NE2 3.12Å; R193-Q476 HydrophobicContact CB-CG 4.22Å; R193-Q476 WeakPolarHBondContact O-CB 3.43Å; F194-Q476 CarbonylContact C-O 3.54Å; F194-Q476 WeakPolarHBondContact CA-O 3.32Å; F194-Q476 HydrophobicContact CD1-CG 4.18Å; F194-Q476 HydrophobicContact CD2-CG 3.79Å; F194-Q476 HydrophobicContact CE1-CG 4.13Å; F194-Q476 HydrophobicContact CE2-CG 3.74Å; F194-Q476 HydrophobicContact CG-CG 4.02Å; F194-Q476 HydrophobicContact CZ-CG 3.91Å; E195-Q476 PolarHBondContact N-O 3.4Å; L472-Q476 HydrophobicContact CB-CG 4.35Å; L472-Q476 WeakPolarHBondContact O-CB 3.44Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.28Å; L472-Q476 PolarHBondContact O-N 3.32Å |
| 477 | N | 79.3 | Confident | 86.1 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -115 | 161.7 | -169.4 | -63 | -81.2 | 0 | 0 | 0 | 111.3 | ||
| 478 | K | 69.3 | Low | 85.4 | Confident | 142 Ų | 142 | 38.6 Ų | 38.6 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | trans | -63.7 | 150.8 | 163.2 | -66.5 | 177.8 | -177 | 171 | 0 | 109.6 | R443 | R443-K478 PolarHBondContact NH1-O 3.47Š| ||
| 479 | P | 60.6 | Low | 84.5 | Confident | 119 Ų | 119 | 41.8 Ų | 41.8 | 77% | 0.773 | 22% | 0.215 | S | C | * | . | trans | -48 | 144.5 | 167.6 | -24.4 | 33.6 | 0 | 0 | 0 | 110.5 | ||||
| 480 | L | 53.4 | Low | 83.5 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 40% | 0.403 | 23% | 0.234 | S | C | . | . | trans | -65.8 | 0 | -173.4 | -92.2 | 171 | 0 | 0 | 0 | 113.7 | R439 V440 | R439-L480 HydrophobicContact CB-CD2 4.06Å; V440-L480 HydrophobicContact CG2-CD1 3.44Å; V440-L480 VanDerWaalsContact CG2-CD1 3.44Å |
Retrieved 480 of 480 residues in 269.2 ms
(Link to these results)