| 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 | 31.1 | Very low | 52.3 | Low | 233 Ų | 233 | 116 Ų | 116 | 100% | 1.148 | 63% | 0.626 | S | S | * | * | 0 | 103.3 | 0 | -67.6 | -54.3 | -166.3 | 0 | 0 | 108.3 | |||||
| 2 | P | 36.5 | Very low | 55.5 | Low | 123 Ų | 123 | 106.4 Ų | 106.4 | 80% | 0.799 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 136.6 | 165.9 | 32.1 | -31.4 | 0 | 0 | 0 | 109.2 | ||
| 3 | T | 39.3 | Very low | 58.2 | Low | 139 Ų | 139 | 103.9 Ų | 103.9 | 85% | 0.853 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.5 | 169.6 | 44.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 4 | I | 41.7 | Very low | 60.6 | Low | 99 Ų | 99 | 103.5 Ų | 103.5 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 141.8 | 171.9 | -60.4 | 171.2 | 0 | 0 | 0 | 108 | ||
| 5 | P | 45.5 | Very low | 62.9 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 149.1 | 177.3 | -18 | 31.6 | 0 | 0 | 0 | 111.5 | D7 | P5-D7 WeakPolarHBondContact CB-OD2 3.5Å; P5-D7 PolarHBondContact O-N 3.25Å |
| 6 | K | 54.2 | Low | 64.9 | Low | 175 Ų | 175 | 91.1 Ų | 91.1 | 76% | 0.761 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -74.6 | -16.7 | 170.8 | -73.2 | -167.1 | 170.7 | -165 | 0 | 113 | S8 E9 | K6-S8 VanDerWaalsContact C-N 3.31Å; K6-S8 PolarHBondContact O-N 2.91Å; K6-E9 WeakPolarHBondContact O-CB 3.46Å; K6-E9 PolarHBondContact O-N 3.04Å |
| 7 | D | 56.2 | Low | 66.5 | Low | 114 Ų | 114 | 92.5 Ų | 92.5 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.6 | -29.4 | -167.9 | -44.7 | -57.7 | 0 | 0 | 0 | 112.4 | P5 E9 S10 E11 | P5-D7 WeakPolarHBondContact CB-OD2 3.5Å; P5-D7 PolarHBondContact O-N 3.25Å; D7-E9 VanDerWaalsContact C-N 3.35Å; D7-E9 PolarHBondContact O-N 3.2Å; D7-S10 WeakPolarHBondContact O-CB 3.46Å; D7-S10 PolarHBondContact O-N 3.28Å; D7-E11 PolarHBondContact O-N 3.49Å; D7-E11 VanDerWaalsContact O-N 3.17Å |
| 8 | S | 53.5 | Low | 68 | Low | 29 Ų | 29 | 90.7 Ų | 90.7 | 20% | 0.203 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.6 | -31.3 | 178 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | K6 S10 E11 I12 | K6-S8 VanDerWaalsContact C-N 3.31Å; K6-S8 PolarHBondContact O-N 2.91Å; S8-S10 VanDerWaalsContact C-N 3.28Å; S8-S10 PolarHBondContact O-N 3.14Å; S8-E11 PolarHBondContact O-N 2.88Å; S8-I12 WeakPolarHBondContact O-CG1 3.38Å; S8-I12 PolarHBondContact O-N 3.38Å |
| 9 | E | 60 | Low | 69.4 | Low | 129 Ų | 129 | 85.9 Ų | 85.9 | 60% | 0.603 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.9 | -37.2 | 175.9 | -165.5 | 176.6 | -169.7 | 0 | 0 | 110.2 | K6 D7 L13 | K6-E9 WeakPolarHBondContact O-CB 3.46Å; K6-E9 PolarHBondContact O-N 3.04Å; D7-E9 VanDerWaalsContact C-N 3.35Å; D7-E9 PolarHBondContact O-N 3.2Å; E9-L13 PolarHBondContact O-N 3.35Å |
| 10 | S | 72.4 | Confident | 70.6 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 175.9 | -163.5 | 0 | 0 | 0 | 0 | 112.7 | D7 S8 I12 L13 E14 | D7-S10 WeakPolarHBondContact O-CB 3.46Å; D7-S10 PolarHBondContact O-N 3.28Å; S8-S10 VanDerWaalsContact C-N 3.28Å; S8-S10 PolarHBondContact O-N 3.14Å; S10-I12 VanDerWaalsContact C-N 3.31Å; S10-I12 PolarHBondContact O-N 2.56Å; S10-L13 PolarHBondContact O-N 3.04Å; S10-E14 WeakPolarHBondContact O-CG 3.41Å; S10-E14 PolarHBondContact O-N 3.46Å |
| 11 | E | 84.7 | Confident | 71.7 | Confident | 87 Ų | 87 | 86.3 Ų | 86.3 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.7 | -31.8 | -176.2 | -76 | -165.2 | -153.3 | 0 | 0 | 114 | D7 S8 V15 K32 I36 | D7-E11 PolarHBondContact O-N 3.49Å; D7-E11 VanDerWaalsContact O-N 3.17Å; S8-E11 PolarHBondContact O-N 2.88Å; E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-K32 PolarHBondContact O-NZ 3.1Å; E11-I36 HydrophobicContact CB-CD1 3.78Å |
| 12 | I | 90.5 | Very high | 74.3 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -76.3 | -39.4 | 175.5 | -57.6 | 175.1 | 0 | 0 | 0 | 110.1 | S8 S10 V15 F16 L33 I36 F45 D48 L52 | S8-I12 WeakPolarHBondContact O-CG1 3.38Å; S8-I12 PolarHBondContact O-N 3.38Å; S10-I12 VanDerWaalsContact C-N 3.31Å; S10-I12 PolarHBondContact O-N 2.56Å; I12-V15 WeakPolarHBondContact O-CB 3.37Å; I12-V15 PolarHBondContact O-N 3.19Å; I12-V15 VanDerWaalsContact O-N 3.17Å; I12-F16 HydrophobicContact CG2-CD2 4.11Å; I12-F16 HydrophobicContact CG2-CE2 4.09Å; I12-F16 WeakPolarHBondContact O-CD2 3.42Å; I12-F16 PolarHBondContact O-N 3.39Å; I12-F16 VanDerWaalsContact O-N 3.14Å; I12-L33 HydrophobicContact CB-CD1 4.35Å; I12-L33 HydrophobicContact CG1-CD1 3.98Å; I12-L33 HydrophobicContact CG2-CD1 3.95Å; I12-I36 HydrophobicContact CD1-CG2 4.19Å; I12-I36 HydrophobicContact CG1-CD1 4.42Å; I12-I36 HydrophobicContact CG1-CG2 4.02Å; I12-F45 HydrophobicContact CD1-CD2 3.85Å; I12-F45 HydrophobicContact CD1-CE2 3.93Å; I12-F45 HydrophobicContact CG1-CE2 4.44Å; I12-D48 HydrophobicContact CD1-CB 4.03Å; I12-L52 HydrophobicContact CB-CD1 4.23Å; I12-L52 HydrophobicContact CG2-CD1 3.54Å |
| 13 | L | 91.6 | Very high | 76.8 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 39% | 0.387 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 174.9 | 177.8 | 61.2 | 0 | 0 | 0 | 111.6 | E9 S10 V15 F16 E17 L52 | E9-L13 PolarHBondContact O-N 3.35Å; S10-L13 PolarHBondContact O-N 3.04Å; L13-V15 PolarHBondContact O-N 2.79Å; L13-F16 PolarHBondContact O-N 2.98Å; L13-E17 HydrophobicContact CD1-CG 4.26Å; L13-E17 HydrophobicContact CG-CG 4.48Å; L13-E17 PolarHBondContact O-N 3.04Å; L13-L52 HydrophobicContact CD1-CD2 3.87Å |
| 14 | E | 91.6 | Very high | 79.2 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 46% | 0.458 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -50.9 | -40.9 | 174.4 | -74 | 175.8 | -174.3 | 0 | 0 | 112.7 | S10 E17 E18 K32 | S10-E14 WeakPolarHBondContact O-CG 3.41Å; S10-E14 PolarHBondContact O-N 3.46Å; E14-E17 PolarHBondContact O-N 3.4Å; E14-E18 WeakPolarHBondContact O-CB 3.26Å; E14-E18 PolarHBondContact O-N 3.28Å; E14-K32 IonicContact OE2-NZ 2.98Å; E14-K32 PolarHBondContact OE2-NZ 2.88Å |
| 15 | V | 94.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | 179.4 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | E11 I12 L13 C19 L29 K32 L33 F72 | E11-V15 WeakPolarHBondContact O-CG2 3.48Å; I12-V15 WeakPolarHBondContact O-CB 3.37Å; I12-V15 PolarHBondContact O-N 3.19Å; I12-V15 VanDerWaalsContact O-N 3.17Å; L13-V15 PolarHBondContact O-N 2.79Å; V15-C19 VanDerWaalsContact O-CB 3.31Å; V15-C19 WeakPolarHBondContact O-CB 3.39Å; V15-C19 PolarHBondContact O-N 2.61Å; V15-L29 HydrophobicContact CG1-CB 4.21Å; V15-L29 HydrophobicContact CG1-CD2 4.26Å; V15-L29 HydrophobicContact CG2-CD2 4.21Å; V15-K32 HydrophobicContact CG2-CD 3.73Å; V15-K32 HydrophobicContact CG2-CG 4.36Å; V15-L33 HydrophobicContact CG1-CB 4.22Å; V15-L33 HydrophobicContact CG1-CD2 4.05Å; V15-F72 HydrophobicContact CG1-CE1 3.53Å; V15-F72 HydrophobicContact CG1-CE2 4.47Å; V15-F72 HydrophobicContact CG1-CZ 3.41Å; V15-F72 VanDerWaalsContact CG1-CZ 3.41Å |
| 16 | F | 94.3 | Very high | 83.8 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 177.1 | -89 | -110.1 | 0 | 0 | 0 | 112.2 | I12 L13 C19 Q20 F49 L52 T69 I73 | I12-F16 HydrophobicContact CG2-CD2 4.11Å; I12-F16 HydrophobicContact CG2-CE2 4.09Å; I12-F16 WeakPolarHBondContact O-CD2 3.42Å; I12-F16 PolarHBondContact O-N 3.39Å; I12-F16 VanDerWaalsContact O-N 3.14Å; L13-F16 PolarHBondContact O-N 2.98Å; F16-C19 PolarHBondContact O-SG 3Å; F16-Q20 WeakPolarHBondContact O-CG 3.47Å; F16-Q20 PolarHBondContact O-NE2 3.26Å; F16-F49 AromaticContact CE2-CD2 3.7Å; F16-F49 HydrophobicContact CE2-CD2 3.7Å; F16-F49 AromaticContact CE2-CE2 3.8Å; F16-F49 HydrophobicContact CE2-CE2 3.8Å; F16-F49 AromaticContact CZ-CD2 3.76Å; F16-F49 HydrophobicContact CZ-CD2 3.76Å; F16-F49 AromaticContact CZ-CE2 3.65Å; F16-F49 HydrophobicContact CZ-CE2 3.65Å; F16-F49 HydrophobicContact CZ-CG 4.48Å; F16-F49 HydrophobicContact CZ-CZ 4.32Å; F16-L52 HydrophobicContact CD1-CB 3.8Å; F16-L52 HydrophobicContact CD2-CB 4.33Å; F16-L52 HydrophobicContact CD2-CD1 3.95Å; F16-L52 HydrophobicContact CE1-CB 3.76Å; F16-L52 HydrophobicContact CE2-CB 4.3Å; F16-L52 HydrophobicContact CE2-CD1 4.31Å; F16-L52 HydrophobicContact CG-CB 4.08Å; F16-L52 HydrophobicContact CG-CD1 4.17Å; F16-L52 HydrophobicContact CZ-CB 4.02Å; F16-T69 HydrophobicContact CD1-CG2 3.97Å; F16-T69 HydrophobicContact CE1-CG2 4.29Å; F16-I73 HydrophobicContact CE1-CD1 3.99Å; F16-I73 HydrophobicContact CE1-CG1 3.9Å; F16-I73 HydrophobicContact CZ-CG1 4.08Å |
| 17 | E | 92.7 | Very high | 85.7 | Confident | 115 Ų | 115 | 65.1 Ų | 65.1 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -49.3 | 171.9 | -69 | -173.7 | 159.7 | 0 | 0 | 111.6 | L13 E14 C19 Q20 | L13-E17 HydrophobicContact CD1-CG 4.26Å; L13-E17 HydrophobicContact CG-CG 4.48Å; L13-E17 PolarHBondContact O-N 3.04Å; E14-E17 PolarHBondContact O-N 3.4Å; E17-C19 PolarHBondContact O-N 3.4Å; E17-Q20 PolarHBondContact O-N 3.08Å |
| 18 | E | 93.9 | Very high | 87.6 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | -177.9 | -157.2 | -156.6 | 119.3 | 0 | 0 | 112.8 | E14 Q20 L21 S25 R28 L29 | E14-E18 WeakPolarHBondContact O-CB 3.26Å; E14-E18 PolarHBondContact O-N 3.28Å; E18-Q20 PolarHBondContact O-N 2.94Å; E18-Q20 VanDerWaalsContact O-N 3.17Å; E18-L21 WeakPolarHBondContact O-CB 3.46Å; E18-L21 PolarHBondContact O-N 3.41Å; E18-S25 WeakPolarHBondContact OE1-CB 3.23Å; E18-S25 PolarHBondContact OE1-OG 3.41Å; E18-R28 IonicContact OE1-CZ 3.97Å; E18-R28 IonicContact OE1-NH2 3.98Å; E18-R28 PolarHBondContact OE1-NH2 2.98Å; E18-R28 IonicContact OE2-CZ 3.32Å; E18-R28 IonicContact OE2-NH2 3.7Å; E18-R28 PolarHBondContact OE2-NH2 2.93Å; E18-L29 HydrophobicContact CB-CD1 4.02Å; E18-L29 HydrophobicContact CB-CD2 4.22Å; E18-L29 HydrophobicContact CG-CD1 4.33Å |
| 19 | C | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -22.9 | -177.8 | 81.1 | 0 | 0 | 0 | 0 | 113.7 | V15 F16 E17 L21 H26 L29 F72 | V15-C19 VanDerWaalsContact O-CB 3.31Å; V15-C19 WeakPolarHBondContact O-CB 3.39Å; V15-C19 PolarHBondContact O-N 2.61Å; F16-C19 PolarHBondContact O-SG 3Å; E17-C19 PolarHBondContact O-N 3.4Å; C19-L21 VanDerWaalsContact C-N 3.31Å; C19-H26 PolarHBondContact O-NE2 3.3Å; C19-L29 HydrophobicContact CB-CD1 3.85Å; C19-F72 HydrophobicContact CB-CB 3.83Å; C19-F72 HydrophobicContact CB-CD1 3.75Å; C19-F72 HydrophobicContact CB-CD2 3.96Å; C19-F72 HydrophobicContact CB-CE1 4.35Å; C19-F72 HydrophobicContact CB-CG 3.53Å |
| 20 | Q | 93.7 | Very high | 91.2 | Very high | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.8 | -28.6 | 175.1 | -73.4 | 170.8 | 74.1 | 0 | 0 | 112.1 | F16 E17 E18 Y65 R68 T69 | F16-Q20 WeakPolarHBondContact O-CG 3.47Å; F16-Q20 PolarHBondContact O-NE2 3.26Å; E17-Q20 PolarHBondContact O-N 3.08Å; E18-Q20 PolarHBondContact O-N 2.94Å; E18-Q20 VanDerWaalsContact O-N 3.17Å; Q20-Y65 HydrophobicContact CB-CD1 4.19Å; Q20-Y65 WeakPolarHBondContact O-CD1 3.21Å; Q20-R68 WeakPolarHBondContact O-CD 3.39Å; Q20-R68 PolarHBondContact O-NH1 3.37Å; Q20-T69 WeakPolarHBondContact CG-OG1 3.36Å |
| 21 | L | 92.2 | Very high | 92.2 | Very high | 111 Ų | 111 | 60.1 Ų | 60.1 | 58% | 0.581 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -81.1 | -34.6 | -169.5 | -58.3 | -179.9 | 0 | 0 | 0 | 113.1 | E18 C19 Y65 R68 | E18-L21 WeakPolarHBondContact O-CB 3.46Å; E18-L21 PolarHBondContact O-N 3.41Å; C19-L21 VanDerWaalsContact C-N 3.31Å; L21-Y65 HydrophobicContact CD2-CE1 4.37Å; L21-R68 PolarHBondContact O-NH1 3.03Å |
| 22 | N | 87 | Confident | 92.7 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | trans | -158.2 | 137.5 | -175.5 | -166.4 | -9.2 | 0 | 0 | 0 | 113 | L24 S25 H26 | N22-L24 VanDerWaalsContact C-N 3.31Å; N22-L24 PolarHBondContact O-N 2.92Å; N22-L24 WeakPolarHBondContact OD1-CB 3.45Å; N22-L24 PolarHBondContact OD1-N 3.25Å; N22-S25 PolarHBondContact O-OG 3.18Å; N22-S25 VanDerWaalsContact O-OG 3.08Å; N22-H26 PolarHBondContact O-CD2 3.38Å; N22-H26 VanDerWaalsContact O-CD2 3.24Å; N22-H26 PolarHBondContact O-NE2 3.45Å | ||
| 23 | N | 88.1 | Confident | 92.9 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -72.4 | -22.7 | 172.4 | -78.9 | 4.7 | 0 | 0 | 0 | 113.1 | S25 H26 R68 | N23-S25 VanDerWaalsContact C-N 3.27Å; N23-S25 PolarHBondContact O-N 2.97Å; N23-H26 WeakPolarHBondContact O-CB 3.45Å; N23-H26 PolarHBondContact O-N 3.18Å; N23-H26 PolarHBondContact OD1-CE1 3.48Å; N23-H26 PolarHBondContact OD1-NE2 3.32Å; N23-R68 VanDerWaalsContact OD1-CG 3.23Å; N23-R68 WeakPolarHBondContact OD1-CG 3.32Å |
| 24 | L | 89.2 | Confident | 92.9 | Very high | 150 Ų | 150 | 57.6 Ų | 57.6 | 79% | 0.785 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -69.7 | -21.5 | -179.5 | -63.2 | 174.3 | 0 | 0 | 0 | 113.3 | N22 | N22-L24 VanDerWaalsContact C-N 3.31Å; N22-L24 PolarHBondContact O-N 2.92Å; N22-L24 WeakPolarHBondContact OD1-CB 3.45Å; N22-L24 PolarHBondContact OD1-N 3.25Å |
| 25 | S | 90.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -83.8 | -13.2 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | E18 N22 N23 D27 R28 L29 | E18-S25 WeakPolarHBondContact OE1-CB 3.23Å; E18-S25 PolarHBondContact OE1-OG 3.41Å; N22-S25 PolarHBondContact O-OG 3.18Å; N22-S25 VanDerWaalsContact O-OG 3.08Å; N23-S25 VanDerWaalsContact C-N 3.27Å; N23-S25 PolarHBondContact O-N 2.97Å; S25-D27 VanDerWaalsContact C-N 3.31Å; S25-D27 PolarHBondContact O-N 2.91Å; S25-R28 WeakPolarHBondContact O-CB 3.44Å; S25-R28 PolarHBondContact O-N 3.37Å; S25-L29 WeakPolarHBondContact O-CB 3.34Å; S25-L29 WeakPolarHBondContact O-CG 3.24Å; S25-L29 PolarHBondContact O-N 3.37Å; S25-L29 WeakPolarHBondContact OG-CD1 3.19Å |
| 26 | H | 95.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -38.6 | -171.5 | -75.5 | -166.8 | 0 | 0 | 0 | 113.9 | C19 N22 N23 L29 C30 R68 F72 K75 | C19-H26 PolarHBondContact O-NE2 3.3Å; N22-H26 PolarHBondContact O-CD2 3.38Å; N22-H26 VanDerWaalsContact O-CD2 3.24Å; N22-H26 PolarHBondContact O-NE2 3.45Å; N23-H26 WeakPolarHBondContact O-CB 3.45Å; N23-H26 PolarHBondContact O-N 3.18Å; N23-H26 PolarHBondContact OD1-CE1 3.48Å; N23-H26 PolarHBondContact OD1-NE2 3.32Å; H26-L29 PolarHBondContact O-N 3Å; H26-C30 WeakPolarHBondContact O-CB 3.5Å; H26-C30 PolarHBondContact O-N 2.71Å; H26-C30 PolarHBondContact O-SG 2.86Å; H26-R68 PolarHBondContact CE1-O 3.47Å; H26-R68 VanDerWaalsContact CE1-O 3.26Å; H26-F72 HydrophobicContact CB-CD2 4.14Å; H26-F72 AromaticContact CG-CD2 3.93Å; H26-K75 HydrophobicContact CB-CD 4.18Å |
| 27 | D | 93.6 | Very high | 92.7 | Very high | 94 Ų | 94 | 59.3 Ų | 59.3 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 178.4 | -63.1 | -74 | 0 | 0 | 0 | 112 | S25 C30 V31 K75 | S25-D27 VanDerWaalsContact C-N 3.31Å; S25-D27 PolarHBondContact O-N 2.91Å; D27-C30 PolarHBondContact O-N 2.83Å; D27-V31 PolarHBondContact O-N 2.87Å; D27-V31 VanDerWaalsContact O-N 3.16Å; D27-K75 WeakPolarHBondContact OD1-CE 3.38Å; D27-K75 IonicContact OD1-NZ 3.7Å; D27-K75 PolarHBondContact OD1-NZ 3.35Å; D27-K75 IonicContact OD2-NZ 2.73Å; D27-K75 PolarHBondContact OD2-NZ 3.4Å |
| 28 | R | 95.1 | Very high | 92.5 | Very high | 144 Ų | 144 | 58.4 Ų | 58.4 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 173.5 | -174.2 | -177 | 68.6 | 88.9 | -1.8 | 111.4 | E18 S25 V31 K32 | E18-R28 IonicContact OE1-CZ 3.97Å; E18-R28 IonicContact OE1-NH2 3.98Å; E18-R28 PolarHBondContact OE1-NH2 2.98Å; E18-R28 IonicContact OE2-CZ 3.32Å; E18-R28 IonicContact OE2-NH2 3.7Å; E18-R28 PolarHBondContact OE2-NH2 2.93Å; S25-R28 WeakPolarHBondContact O-CB 3.44Å; S25-R28 PolarHBondContact O-N 3.37Å; R28-V31 PolarHBondContact O-N 3.14Å; R28-K32 PolarHBondContact O-N 2.61Å |
| 29 | L | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 177.5 | -70.4 | 174.9 | 0 | 0 | 0 | 112.1 | V15 E18 C19 S25 H26 V31 K32 L33 F72 | V15-L29 HydrophobicContact CG1-CB 4.21Å; V15-L29 HydrophobicContact CG1-CD2 4.26Å; V15-L29 HydrophobicContact CG2-CD2 4.21Å; E18-L29 HydrophobicContact CB-CD1 4.02Å; E18-L29 HydrophobicContact CB-CD2 4.22Å; E18-L29 HydrophobicContact CG-CD1 4.33Å; C19-L29 HydrophobicContact CB-CD1 3.85Å; S25-L29 WeakPolarHBondContact O-CB 3.34Å; S25-L29 WeakPolarHBondContact O-CG 3.24Å; S25-L29 PolarHBondContact O-N 3.37Å; S25-L29 WeakPolarHBondContact OG-CD1 3.19Å; H26-L29 PolarHBondContact O-N 3Å; L29-V31 VanDerWaalsContact C-N 3.3Å; L29-V31 PolarHBondContact O-N 3.24Å; L29-K32 PolarHBondContact O-N 2.72Å; L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.25Å; L29-L33 PolarHBondContact O-N 2.88Å; L29-F72 HydrophobicContact CB-CD2 4.47Å; L29-F72 HydrophobicContact CB-CE2 3.56Å; L29-F72 HydrophobicContact CB-CZ 3.93Å |
| 30 | C | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 170.8 | -73.7 | 0 | 0 | 0 | 0 | 111 | H26 D27 K34 F76 F79 | H26-C30 WeakPolarHBondContact O-CB 3.5Å; H26-C30 PolarHBondContact O-N 2.71Å; H26-C30 PolarHBondContact O-SG 2.86Å; D27-C30 PolarHBondContact O-N 2.83Å; C30-K34 WeakPolarHBondContact O-CB 3.31Å; C30-K34 PolarHBondContact O-N 2.92Å; C30-F76 HydrophobicContact CB-CD2 4.19Å; C30-F79 HydrophobicContact CB-CD1 3.75Å; C30-F79 HydrophobicContact CB-CE1 3.99Å; C30-F79 HydrophobicContact CB-CG 4.06Å |
| 31 | V | 93.7 | Very high | 91.9 | Very high | 88 Ų | 88 | 68.9 Ų | 68.9 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | D27 R28 L29 L33 K34 N35 F79 | D27-V31 PolarHBondContact O-N 2.87Å; D27-V31 VanDerWaalsContact O-N 3.16Å; R28-V31 PolarHBondContact O-N 3.14Å; L29-V31 VanDerWaalsContact C-N 3.3Å; L29-V31 PolarHBondContact O-N 3.24Å; V31-L33 PolarHBondContact O-N 3.46Å; V31-K34 PolarHBondContact O-N 3.29Å; V31-N35 PolarHBondContact O-N 3.42Å; V31-N35 VanDerWaalsContact O-N 3.1Å; V31-F79 HydrophobicContact CG2-CE1 4.47Å; V31-F79 HydrophobicContact CG2-CZ 4.01Å |
| 32 | K | 93.6 | Very high | 91.8 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 26% | 0.261 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.9 | -51.5 | 174.5 | -173.6 | -171 | 175.9 | -152.6 | 0 | 110.4 | E11 E14 V15 R28 L29 K34 N35 I36 | E11-K32 PolarHBondContact O-NZ 3.1Å; E14-K32 IonicContact OE2-NZ 2.98Å; E14-K32 PolarHBondContact OE2-NZ 2.88Å; V15-K32 HydrophobicContact CG2-CD 3.73Å; V15-K32 HydrophobicContact CG2-CG 4.36Å; R28-K32 PolarHBondContact O-N 2.61Å; L29-K32 PolarHBondContact O-N 2.72Å; K32-K34 PolarHBondContact O-N 3.34Å; K32-N35 WeakPolarHBondContact O-CB 3.42Å; K32-N35 PolarHBondContact O-N 3.4Å; K32-I36 HydrophobicContact CG-CD1 4.48Å; K32-I36 PolarHBondContact O-N 2.9Å |
| 33 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.6 | -29.3 | -175.8 | -168.3 | 63.8 | 0 | 0 | 0 | 112.9 | I12 V15 L29 V31 I36 Y37 F45 F49 F72 F76 | I12-L33 HydrophobicContact CB-CD1 4.35Å; I12-L33 HydrophobicContact CG1-CD1 3.98Å; I12-L33 HydrophobicContact CG2-CD1 3.95Å; V15-L33 HydrophobicContact CG1-CB 4.22Å; V15-L33 HydrophobicContact CG1-CD2 4.05Å; L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.25Å; L29-L33 PolarHBondContact O-N 2.88Å; V31-L33 PolarHBondContact O-N 3.46Å; L33-I36 HydrophobicContact CD1-CD1 4.22Å; L33-I36 PolarHBondContact O-N 3.35Å; L33-Y37 WeakPolarHBondContact O-CB 3.37Å; L33-Y37 PolarHBondContact O-N 3.27Å; L33-F45 HydrophobicContact CD1-CE2 3.66Å; L33-F45 HydrophobicContact CD1-CZ 3.86Å; L33-F45 HydrophobicContact CD2-CZ 4.34Å; L33-F45 HydrophobicContact CG-CE2 4.08Å; L33-F45 HydrophobicContact CG-CZ 3.89Å; L33-F49 HydrophobicContact CD2-CD2 4.19Å; L33-F49 HydrophobicContact CD2-CE2 3.99Å; L33-F72 HydrophobicContact CD2-CE1 3.89Å; L33-F72 HydrophobicContact CD2-CZ 3.96Å; L33-F76 HydrophobicContact CB-CD2 4.23Å; L33-F76 HydrophobicContact CB-CE2 3.71Å; L33-F76 HydrophobicContact CB-CZ 3.88Å; L33-F76 HydrophobicContact CD2-CD1 3.61Å; L33-F76 HydrophobicContact CD2-CD2 4.1Å; L33-F76 HydrophobicContact CD2-CE1 3.52Å; L33-F76 HydrophobicContact CD2-CE2 4.02Å; L33-F76 HydrophobicContact CD2-CG 3.9Å; L33-F76 HydrophobicContact CD2-CZ 3.73Å; L33-F76 HydrophobicContact CG-CD1 4.32Å; L33-F76 HydrophobicContact CG-CD2 4.39Å; L33-F76 HydrophobicContact CG-CE1 3.75Å; L33-F76 HydrophobicContact CG-CE2 3.84Å; L33-F76 HydrophobicContact CG-CZ 3.48Å; L33-F76 VanDerWaalsContact CG-CZ 3.48Å |
| 34 | K | 92.1 | Very high | 92 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 21% | 0.213 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 172.3 | 177.6 | 56.5 | 169.6 | 150.1 | 0 | 111.2 | C30 V31 K32 I36 Y37 D38 F76 F79 | C30-K34 WeakPolarHBondContact O-CB 3.31Å; C30-K34 PolarHBondContact O-N 2.92Å; V31-K34 PolarHBondContact O-N 3.29Å; K32-K34 PolarHBondContact O-N 3.34Å; K34-I36 VanDerWaalsContact C-N 3.34Å; K34-I36 PolarHBondContact O-N 3.1Å; K34-Y37 HydrophobicContact CD-CD1 4.07Å; K34-Y37 WeakPolarHBondContact O-CB 3.26Å; K34-Y37 PolarHBondContact O-N 3.48Å; K34-D38 WeakPolarHBondContact CD-OD2 3.47Å; K34-D38 WeakPolarHBondContact CE-OD2 3.37Å; K34-D38 IonicContact NZ-OD1 3.14Å; K34-D38 PolarHBondContact NZ-OD1 3.15Å; K34-D38 IonicContact NZ-OD2 2.7Å; K34-D38 PolarHBondContact NZ-OD2 3.32Å; K34-D38 PolarHBondContact O-N 3.06Å; K34-F76 HydrophobicContact CB-CE2 4.1Å; K34-F79 HydrophobicContact CB-CD1 4.31Å; K34-F79 HydrophobicContact CB-CE1 3.85Å; K34-F79 HydrophobicContact CG-CE1 4.02Å |
| 35 | N | 92 | Very high | 92.2 | Very high | 102 Ų | 102 | 57 Ų | 57 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 173.3 | -168.3 | 43.9 | 0 | 0 | 0 | 111.7 | V31 K32 N39 | V31-N35 PolarHBondContact O-N 3.42Å; V31-N35 VanDerWaalsContact O-N 3.1Å; K32-N35 WeakPolarHBondContact O-CB 3.42Å; K32-N35 PolarHBondContact O-N 3.4Å; N35-N39 WeakPolarHBondContact O-CB 3.4Å; N35-N39 PolarHBondContact O-N 3.4Å; N35-N39 PolarHBondContact O-ND2 3.07Å; N35-N39 PolarHBondContact OD1-ND2 3.33Å |
| 36 | I | 92.5 | Very high | 92.2 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -44.7 | 174.2 | -58.6 | 166.5 | 0 | 0 | 0 | 110.6 | E11 I12 K32 L33 K34 D38 N39 T40 F45 | E11-I36 HydrophobicContact CB-CD1 3.78Å; I12-I36 HydrophobicContact CD1-CG2 4.19Å; I12-I36 HydrophobicContact CG1-CD1 4.42Å; I12-I36 HydrophobicContact CG1-CG2 4.02Å; K32-I36 HydrophobicContact CG-CD1 4.48Å; K32-I36 PolarHBondContact O-N 2.9Å; L33-I36 HydrophobicContact CD1-CD1 4.22Å; L33-I36 PolarHBondContact O-N 3.35Å; K34-I36 VanDerWaalsContact C-N 3.34Å; K34-I36 PolarHBondContact O-N 3.1Å; I36-D38 PolarHBondContact O-N 3.27Å; I36-N39 PolarHBondContact O-N 3.16Å; I36-T40 WeakPolarHBondContact O-CB 3.49Å; I36-T40 PolarHBondContact O-N 2.99Å; I36-T40 PolarHBondContact O-OG1 3.38Å; I36-F45 HydrophobicContact CB-CE2 4.44Å; I36-F45 HydrophobicContact CG2-CD2 4.09Å; I36-F45 HydrophobicContact CG2-CE2 4.19Å |
| 37 | Y | 91.6 | Very high | 92 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 177.6 | 168.9 | -84.3 | 0 | 0 | 0 | 113.2 | L33 K34 F42 F45 L95 | L33-Y37 WeakPolarHBondContact O-CB 3.37Å; L33-Y37 PolarHBondContact O-N 3.27Å; K34-Y37 HydrophobicContact CD-CD1 4.07Å; K34-Y37 WeakPolarHBondContact O-CB 3.26Å; K34-Y37 PolarHBondContact O-N 3.48Å; Y37-F42 AromaticContact CE2-CD2 3.62Å; Y37-F42 HydrophobicContact CE2-CD2 3.62Å; Y37-F42 AromaticContact CE2-CE2 3.75Å; Y37-F42 HydrophobicContact CE2-CE2 3.75Å; Y37-F42 AromaticContact CZ-CD2 3.91Å; Y37-F45 AromaticContact CD2-CD1 3.62Å; Y37-F45 HydrophobicContact CD2-CD1 3.62Å; Y37-F45 AromaticContact CD2-CE1 3.69Å; Y37-F45 HydrophobicContact CD2-CE1 3.69Å; Y37-F45 HydrophobicContact CD2-CG 4.18Å; Y37-F45 HydrophobicContact CD2-CZ 4.25Å; Y37-F45 HydrophobicContact CE2-CD1 4.45Å; Y37-F45 HydrophobicContact CG-CD1 4.49Å; Y37-F45 HydrophobicContact CG-CE1 4.46Å; Y37-L95 HydrophobicContact CD2-CD2 4.41Å; Y37-L95 HydrophobicContact CE2-CB 4.11Å; Y37-L95 HydrophobicContact CE2-CD2 4.38Å |
| 38 | D | 89 | Confident | 91.9 | Very high | 95 Ų | 95 | 59 Ų | 59 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -77.9 | -29.9 | -177 | -72.4 | -37.8 | 0 | 0 | 0 | 113 | K34 I36 | K34-D38 WeakPolarHBondContact CD-OD2 3.47Å; K34-D38 WeakPolarHBondContact CE-OD2 3.37Å; K34-D38 IonicContact NZ-OD1 3.14Å; K34-D38 PolarHBondContact NZ-OD1 3.15Å; K34-D38 IonicContact NZ-OD2 2.7Å; K34-D38 PolarHBondContact NZ-OD2 3.32Å; K34-D38 PolarHBondContact O-N 3.06Å; I36-D38 PolarHBondContact O-N 3.27Å |
| 39 | N | 90.7 | Very high | 91.8 | Very high | 125 Ų | 125 | 52.1 Ų | 52.1 | 67% | 0.668 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -84.7 | -19.6 | 176.2 | -69.8 | -63.2 | 0 | 0 | 0 | 113.5 | N35 I36 | N35-N39 WeakPolarHBondContact O-CB 3.4Å; N35-N39 PolarHBondContact O-N 3.4Å; N35-N39 PolarHBondContact O-ND2 3.07Å; N35-N39 PolarHBondContact OD1-ND2 3.33Å; I36-N39 PolarHBondContact O-N 3.16Å |
| 40 | T | 89 | Confident | 91.8 | Very high | 40 Ų | 40 | 53 Ų | 53 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -96.4 | 144.3 | -178 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | I36 F42 H44 F45 | I36-T40 WeakPolarHBondContact O-CB 3.49Å; I36-T40 PolarHBondContact O-N 2.99Å; I36-T40 PolarHBondContact O-OG1 3.38Å; T40-F42 PolarHBondContact O-N 2.95Å; T40-H44 HydrophobicContact CG2-CB 4.35Å; T40-F45 HydrophobicContact CG2-CB 4.02Å |
| 41 | R | 89.8 | Confident | 91.7 | Very high | 184 Ų | 184 | 56.9 Ų | 56.9 | 69% | 0.694 | 28% | 0.284 | S | S | * | . | trans | -61.6 | 114.4 | 170.6 | -179.8 | -173.2 | 177.3 | 125.6 | 1.3 | 109.3 | T43 H44 F45 | R41-T43 PolarHBondContact NE-OG1 3.41Å; R41-T43 PolarHBondContact O-N 2.83Å; R41-H44 PolarHBondContact O-N 3.02Å; R41-F45 PolarHBondContact O-N 2.97Å | ||
| 42 | F | 90.2 | Very high | 91.7 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -36.9 | -36.9 | -176.1 | 179.5 | -85.8 | 0 | 0 | 0 | 116.3 | Y37 T40 A46 R94 K98 | Y37-F42 AromaticContact CE2-CD2 3.62Å; Y37-F42 HydrophobicContact CE2-CD2 3.62Å; Y37-F42 AromaticContact CE2-CE2 3.75Å; Y37-F42 HydrophobicContact CE2-CE2 3.75Å; Y37-F42 AromaticContact CZ-CD2 3.91Å; T40-F42 PolarHBondContact O-N 2.95Å; F42-A46 HydrophobicContact CD1-CB 4.47Å; F42-A46 HydrophobicContact CE1-CB 4.22Å; F42-A46 WeakPolarHBondContact O-CB 3.27Å; F42-A46 PolarHBondContact O-N 3.04Å; F42-R94 HydrophobicContact CD2-CB 4.28Å; F42-R94 HydrophobicContact CE2-CB 3.51Å; F42-R94 VanDerWaalsContact CG-NH2 3.32Å; F42-R94 HydrophobicContact CZ-CB 3.77Å; F42-K98 HydrophobicContact CE1-CG 4.14Å; F42-K98 HydrophobicContact CZ-CB 4.45Å; F42-K98 HydrophobicContact CZ-CG 3.95Å |
| 43 | T | 89.4 | Confident | 91.7 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 37% | 0.368 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 177.2 | 45.2 | 0 | 0 | 0 | 0 | 112.4 | R41 A46 D47 | R41-T43 PolarHBondContact NE-OG1 3.41Å; R41-T43 PolarHBondContact O-N 2.83Å; T43-A46 PolarHBondContact O-N 3.46Å; T43-D47 PolarHBondContact O-N 3.17Å; T43-D47 VanDerWaalsContact O-OD2 3.1Å |
| 44 | H | 89.9 | Confident | 91.6 | Very high | 68 Ų | 68 | 55.5 Ų | 55.5 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.5 | -47.1 | -178.2 | -56.8 | -51.3 | 0 | 0 | 0 | 111 | T40 R41 A46 D47 D48 | T40-H44 HydrophobicContact CG2-CB 4.35Å; R41-H44 PolarHBondContact O-N 3.02Å; H44-A46 VanDerWaalsContact C-N 3.25Å; H44-A46 PolarHBondContact O-N 3.32Å; H44-D47 PolarHBondContact O-N 3.4Å; H44-D47 VanDerWaalsContact O-N 3.13Å; H44-D48 PolarHBondContact O-N 3.09Å |
| 45 | F | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.1 | -44.4 | 172.8 | -180 | -83 | 0 | 0 | 0 | 112.2 | I12 L33 I36 Y37 T40 R41 F49 F76 L95 | I12-F45 HydrophobicContact CD1-CD2 3.85Å; I12-F45 HydrophobicContact CD1-CE2 3.93Å; I12-F45 HydrophobicContact CG1-CE2 4.44Å; L33-F45 HydrophobicContact CD1-CE2 3.66Å; L33-F45 HydrophobicContact CD1-CZ 3.86Å; L33-F45 HydrophobicContact CD2-CZ 4.34Å; L33-F45 HydrophobicContact CG-CE2 4.08Å; L33-F45 HydrophobicContact CG-CZ 3.89Å; I36-F45 HydrophobicContact CB-CE2 4.44Å; I36-F45 HydrophobicContact CG2-CD2 4.09Å; I36-F45 HydrophobicContact CG2-CE2 4.19Å; Y37-F45 AromaticContact CD2-CD1 3.62Å; Y37-F45 HydrophobicContact CD2-CD1 3.62Å; Y37-F45 AromaticContact CD2-CE1 3.69Å; Y37-F45 HydrophobicContact CD2-CE1 3.69Å; Y37-F45 HydrophobicContact CD2-CG 4.18Å; Y37-F45 HydrophobicContact CD2-CZ 4.25Å; Y37-F45 HydrophobicContact CE2-CD1 4.45Å; Y37-F45 HydrophobicContact CG-CD1 4.49Å; Y37-F45 HydrophobicContact CG-CE1 4.46Å; T40-F45 HydrophobicContact CG2-CB 4.02Å; R41-F45 PolarHBondContact O-N 2.97Å; F45-F49 HydrophobicContact CD1-CB 4.24Å; F45-F49 HydrophobicContact CE1-CB 3.82Å; F45-F49 HydrophobicContact CE1-CD2 4.03Å; F45-F49 AromaticContact CE1-CG 3.95Å; F45-F49 HydrophobicContact CE1-CG 3.95Å; F45-F49 HydrophobicContact CZ-CB 4.27Å; F45-F49 AromaticContact CZ-CD2 3.99Å; F45-F49 HydrophobicContact CZ-CD2 3.99Å; F45-F49 HydrophobicContact CZ-CG 4.34Å; F45-F49 WeakPolarHBondContact O-CB 3.44Å; F45-F49 PolarHBondContact O-N 3.07Å; F45-F76 HydrophobicContact CE1-CE1 4.07Å; F45-F76 AromaticContact CZ-CE1 3.7Å; F45-F76 HydrophobicContact CZ-CE1 3.7Å; F45-F76 HydrophobicContact CZ-CZ 4.01Å; F45-L95 HydrophobicContact CE1-CD2 4.37Å |
| 46 | A | 91.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -42 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F42 T43 H44 F50 | F42-A46 HydrophobicContact CD1-CB 4.47Å; F42-A46 HydrophobicContact CE1-CB 4.22Å; F42-A46 WeakPolarHBondContact O-CB 3.27Å; F42-A46 PolarHBondContact O-N 3.04Å; T43-A46 PolarHBondContact O-N 3.46Å; H44-A46 VanDerWaalsContact C-N 3.25Å; H44-A46 PolarHBondContact O-N 3.32Å; A46-F50 HydrophobicContact CB-CD2 4.04Å; A46-F50 HydrophobicContact CB-CE2 3.94Å; A46-F50 VanDerWaalsContact O-CB 3.23Å; A46-F50 WeakPolarHBondContact O-CB 3.44Å; A46-F50 WeakPolarHBondContact O-CD2 3.46Å; A46-F50 WeakPolarHBondContact O-CG 3.47Å; A46-F50 PolarHBondContact O-N 3.01Å |
| 47 | D | 89.9 | Confident | 91.6 | Very high | 102 Ų | 102 | 56 Ų | 56 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 178.1 | -65.7 | -33.5 | 0 | 0 | 0 | 110.4 | T43 H44 F50 E51 | T43-D47 PolarHBondContact O-N 3.17Å; T43-D47 VanDerWaalsContact O-OD2 3.1Å; H44-D47 PolarHBondContact O-N 3.4Å; H44-D47 VanDerWaalsContact O-N 3.13Å; D47-F50 PolarHBondContact O-N 2.79Å; D47-E51 PolarHBondContact O-N 3.32Å |
| 48 | D | 90.8 | Very high | 91.5 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 178.4 | -54.7 | -19.4 | 0 | 0 | 0 | 111.8 | I12 H44 F50 E51 L52 | I12-D48 HydrophobicContact CD1-CB 4.03Å; H44-D48 PolarHBondContact O-N 3.09Å; D48-F50 PolarHBondContact O-N 2.77Å; D48-E51 PolarHBondContact O-N 3.4Å; D48-L52 PolarHBondContact O-N 2.86Å; D48-L52 VanDerWaalsContact O-N 3.15Å |
| 49 | F | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 179.4 | 179.2 | -92.6 | 0 | 0 | 0 | 112.2 | F16 L33 F45 L52 C53 I73 F76 L95 | F16-F49 AromaticContact CE2-CD2 3.7Å; F16-F49 HydrophobicContact CE2-CD2 3.7Å; F16-F49 AromaticContact CE2-CE2 3.8Å; F16-F49 HydrophobicContact CE2-CE2 3.8Å; F16-F49 AromaticContact CZ-CD2 3.76Å; F16-F49 HydrophobicContact CZ-CD2 3.76Å; F16-F49 AromaticContact CZ-CE2 3.65Å; F16-F49 HydrophobicContact CZ-CE2 3.65Å; F16-F49 HydrophobicContact CZ-CG 4.48Å; F16-F49 HydrophobicContact CZ-CZ 4.32Å; L33-F49 HydrophobicContact CD2-CD2 4.19Å; L33-F49 HydrophobicContact CD2-CE2 3.99Å; F45-F49 HydrophobicContact CD1-CB 4.24Å; F45-F49 HydrophobicContact CE1-CB 3.82Å; F45-F49 HydrophobicContact CE1-CD2 4.03Å; F45-F49 AromaticContact CE1-CG 3.95Å; F45-F49 HydrophobicContact CE1-CG 3.95Å; F45-F49 HydrophobicContact CZ-CB 4.27Å; F45-F49 AromaticContact CZ-CD2 3.99Å; F45-F49 HydrophobicContact CZ-CD2 3.99Å; F45-F49 HydrophobicContact CZ-CG 4.34Å; F45-F49 WeakPolarHBondContact O-CB 3.44Å; F45-F49 PolarHBondContact O-N 3.07Å; F49-L52 PolarHBondContact O-N 3.48Å; F49-C53 VanDerWaalsContact CE1-SG 3.6Å; F49-C53 PolarHBondContact O-N 3.14Å; F49-C53 PolarHBondContact O-SG 3.03Å; F49-I73 HydrophobicContact CE1-CG2 4.47Å; F49-I73 HydrophobicContact CZ-CG2 4.18Å; F49-F76 HydrophobicContact CD2-CD1 4.48Å; F49-F76 HydrophobicContact CD2-CE1 4.47Å; F49-F76 AromaticContact CE2-CD1 3.63Å; F49-F76 HydrophobicContact CE2-CD1 3.63Å; F49-F76 HydrophobicContact CE2-CE1 4.04Å; F49-F76 AromaticContact CZ-CD1 3.94Å; F49-F76 HydrophobicContact CZ-CD1 3.94Å; F49-L95 HydrophobicContact CD1-CD1 4.18Å; F49-L95 HydrophobicContact CE1-CD1 4.22Å |
| 50 | F | 94.9 | Very high | 91.6 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 9% | 0.088 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.2 | -20.5 | 179.1 | -71 | -51.1 | 0 | 0 | 0 | 113.4 | A46 D47 D48 R54 L95 K98 L99 F102 | A46-F50 HydrophobicContact CB-CD2 4.04Å; A46-F50 HydrophobicContact CB-CE2 3.94Å; A46-F50 VanDerWaalsContact O-CB 3.23Å; A46-F50 WeakPolarHBondContact O-CB 3.44Å; A46-F50 WeakPolarHBondContact O-CD2 3.46Å; A46-F50 WeakPolarHBondContact O-CG 3.47Å; A46-F50 PolarHBondContact O-N 3.01Å; D47-F50 PolarHBondContact O-N 2.79Å; D48-F50 PolarHBondContact O-N 2.77Å; F50-R54 WeakPolarHBondContact O-CG 3.31Å; F50-L95 HydrophobicContact CZ-CD1 4.05Å; F50-K98 HydrophobicContact CE2-CB 3.84Å; F50-K98 HydrophobicContact CZ-CB 3.76Å; F50-L99 HydrophobicContact CD1-CD1 4.39Å; F50-L99 HydrophobicContact CE1-CB 3.99Å; F50-L99 HydrophobicContact CE1-CD1 3.76Å; F50-L99 HydrophobicContact CE1-CG 4.46Å; F50-L99 HydrophobicContact CZ-CB 4.28Å; F50-F102 HydrophobicContact CB-CD2 3.89Å; F50-F102 HydrophobicContact CB-CE2 3.83Å; F50-F102 HydrophobicContact CD1-CB 4.1Å; F50-F102 HydrophobicContact CD1-CD1 4.23Å; F50-F102 AromaticContact CD1-CD2 3.67Å; F50-F102 HydrophobicContact CD1-CD2 3.67Å; F50-F102 HydrophobicContact CD1-CE2 4.07Å; F50-F102 AromaticContact CD1-CG 3.77Å; F50-F102 HydrophobicContact CD1-CG 3.77Å; F50-F102 HydrophobicContact CD1-CZ 4.5Å; F50-F102 HydrophobicContact CE1-CB 4.03Å; F50-F102 HydrophobicContact CE1-CD2 4.45Å; F50-F102 HydrophobicContact CE1-CG 4.15Å; F50-F102 AromaticContact CG-CD2 3.87Å; F50-F102 HydrophobicContact CG-CD2 3.87Å; F50-F102 HydrophobicContact CG-CE2 4.24Å; F50-F102 HydrophobicContact CG-CG 4.37Å; F50-F102 WeakPolarHBondContact O-CE2 3.29Å |
| 51 | E | 92.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.9 | -51.2 | 168.2 | -161 | 62.3 | -114.6 | 0 | 0 | 110.3 | D47 D48 C53 R54 Y55 | D47-E51 PolarHBondContact O-N 3.32Å; D48-E51 PolarHBondContact O-N 3.4Å; E51-C53 VanDerWaalsContact C-N 3.27Å; E51-C53 PolarHBondContact O-N 3.41Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 3.33Å; E51-R54 WeakPolarHBondContact OE1-CD 3.36Å; E51-R54 IonicContact OE1-CZ 2.87Å; E51-R54 IonicContact OE1-NE 3.23Å; E51-R54 IonicContact OE1-NH1 2.73Å; E51-R54 PolarHBondContact OE1-NH1 3.31Å; E51-R54 IonicContact OE1-NH2 2.95Å; E51-R54 IonicContact OE2-CZ 3.63Å; E51-R54 IonicContact OE2-NE 3.96Å; E51-R54 IonicContact OE2-NH1 2.69Å; E51-R54 PolarHBondContact OE2-NH1 3.46Å; E51-R54 IonicContact OE2-NH2 3.95Å; E51-R54 PolarHBondContact OE2-NH2 2.97Å; E51-Y55 WeakPolarHBondContact O-CD2 3.14Å |
| 52 | L | 93.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -35.5 | 176.4 | -67.7 | 170.6 | 0 | 0 | 0 | 112.7 | I12 L13 F16 D48 F49 R54 Y55 | I12-L52 HydrophobicContact CB-CD1 4.23Å; I12-L52 HydrophobicContact CG2-CD1 3.54Å; L13-L52 HydrophobicContact CD1-CD2 3.87Å; F16-L52 HydrophobicContact CD1-CB 3.8Å; F16-L52 HydrophobicContact CD2-CB 4.33Å; F16-L52 HydrophobicContact CD2-CD1 3.95Å; F16-L52 HydrophobicContact CE1-CB 3.76Å; F16-L52 HydrophobicContact CE2-CB 4.3Å; F16-L52 HydrophobicContact CE2-CD1 4.31Å; F16-L52 HydrophobicContact CG-CB 4.08Å; F16-L52 HydrophobicContact CG-CD1 4.17Å; F16-L52 HydrophobicContact CZ-CB 4.02Å; D48-L52 PolarHBondContact O-N 2.86Å; D48-L52 VanDerWaalsContact O-N 3.15Å; F49-L52 PolarHBondContact O-N 3.48Å; L52-R54 VanDerWaalsContact C-N 3.25Å; L52-R54 PolarHBondContact O-N 2.97Å; L52-Y55 PolarHBondContact O-N 3.42Å |
| 53 | C | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -31.2 | 172.5 | -72.5 | 0 | 0 | 0 | 0 | 113.7 | F49 E51 Y55 S56 I73 F102 | F49-C53 VanDerWaalsContact CE1-SG 3.6Å; F49-C53 PolarHBondContact O-N 3.14Å; F49-C53 PolarHBondContact O-SG 3.03Å; E51-C53 VanDerWaalsContact C-N 3.27Å; E51-C53 PolarHBondContact O-N 3.41Å; C53-Y55 VanDerWaalsContact C-N 3.33Å; C53-Y55 PolarHBondContact O-N 3.48Å; C53-S56 WeakPolarHBondContact O-CB 3.48Å; C53-S56 PolarHBondContact O-N 3.27Å; C53-S56 VanDerWaalsContact O-N 3.13Å; C53-I73 HydrophobicContact CB-CD1 4.38Å; C53-F102 HydrophobicContact CB-CE1 4.13Å; C53-F102 HydrophobicContact CB-CZ 3.88Å |
| 54 | R | 93.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | -177.2 | -66 | 178.6 | -154.8 | 155.3 | 17 | 112.6 | F50 E51 L52 S56 L57 F102 | F50-R54 WeakPolarHBondContact O-CG 3.31Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 3.33Å; E51-R54 WeakPolarHBondContact OE1-CD 3.36Å; E51-R54 IonicContact OE1-CZ 2.87Å; E51-R54 IonicContact OE1-NE 3.23Å; E51-R54 IonicContact OE1-NH1 2.73Å; E51-R54 PolarHBondContact OE1-NH1 3.31Å; E51-R54 IonicContact OE1-NH2 2.95Å; E51-R54 IonicContact OE2-CZ 3.63Å; E51-R54 IonicContact OE2-NE 3.96Å; E51-R54 IonicContact OE2-NH1 2.69Å; E51-R54 PolarHBondContact OE2-NH1 3.46Å; E51-R54 IonicContact OE2-NH2 3.95Å; E51-R54 PolarHBondContact OE2-NH2 2.97Å; L52-R54 VanDerWaalsContact C-N 3.25Å; L52-R54 PolarHBondContact O-N 2.97Å; R54-S56 PolarHBondContact O-N 2.68Å; R54-L57 WeakPolarHBondContact O-CB 3.31Å; R54-L57 PolarHBondContact O-N 2.94Å; R54-F102 HydrophobicContact CG-CE2 4.23Å; R54-F102 HydrophobicContact CG-CZ 4.08Å |
| 55 | Y | 91.6 | Very high | 92.1 | Very high | 162 Ų | 162 | 60.5 Ų | 60.5 | 64% | 0.635 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.8 | -28.1 | 176.5 | -64.9 | -92.8 | 0 | 0 | 0 | 112.2 | E51 L52 C53 R66 | E51-Y55 WeakPolarHBondContact O-CD2 3.14Å; L52-Y55 PolarHBondContact O-N 3.42Å; C53-Y55 VanDerWaalsContact C-N 3.33Å; C53-Y55 PolarHBondContact O-N 3.48Å; Y55-R66 PolarHBondContact O-NH1 2.78Å |
| 56 | S | 90.6 | Very high | 92 | Very high | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.6 | -27.8 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 113 | C53 R54 R66 T69 | C53-S56 WeakPolarHBondContact O-CB 3.48Å; C53-S56 PolarHBondContact O-N 3.27Å; C53-S56 VanDerWaalsContact O-N 3.13Å; R54-S56 PolarHBondContact O-N 2.68Å; S56-R66 PolarHBondContact O-NH1 3.21Å; S56-T69 WeakPolarHBondContact OG-CG2 3.49Å |
| 57 | L | 93.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.9 | -29.7 | -175.7 | -56 | -176.1 | 0 | 0 | 0 | 114.8 | R54 S59 F102 A113 V114 R117 I121 | R54-L57 WeakPolarHBondContact O-CB 3.31Å; R54-L57 PolarHBondContact O-N 2.94Å; L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.15Å; L57-S59 VanDerWaalsContact O-N 3.16Å; L57-F102 HydrophobicContact CD1-CE1 3.84Å; L57-F102 HydrophobicContact CD1-CZ 3.88Å; L57-A113 CarbonylContact O-C 3.41Å; L57-V114 HydrophobicContact CB-CG1 4.35Å; L57-V114 HydrophobicContact CB-CG2 4.28Å; L57-V114 HydrophobicContact CD1-CG1 4.25Å; L57-V114 WeakPolarHBondContact O-CA 3.33Å; L57-V114 PolarHBondContact O-N 2.93Å; L57-R117 HydrophobicContact CB-CB 4.35Å; L57-R117 HydrophobicContact CD2-CB 3.66Å; L57-I121 HydrophobicContact CD2-CD1 3.64Å |
| 58 | V | 90.6 | Very high | 92.5 | Very high | 85 Ų | 85 | 61.9 Ų | 61.9 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -68.7 | -17.6 | -163.2 | -63 | 0 | 0 | 0 | 0 | 115.9 | N111 A113 | V58-N111 PolarHBondContact O-ND2 3.45Å; V58-A113 WeakPolarHBondContact O-CB 3.36Å |
| 59 | S | 91.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | trans | -127.7 | 138.9 | 179.7 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | L57 E61 R117 | L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.15Å; L57-S59 VanDerWaalsContact O-N 3.16Å; S59-E61 VanDerWaalsContact C-N 3.33Å; S59-E61 WeakPolarHBondContact OG-CB 3.11Å; S59-E61 PolarHBondContact OG-N 3.14Å; S59-E61 VanDerWaalsContact OG-N 3.17Å; S59-R117 PolarHBondContact O-NE 2.89Å | ||
| 60 | S | 89.2 | Confident | 92.7 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | trans | -84.1 | -5.4 | 174.2 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | R62 | S60-R62 PolarHBondContact O-N 3.37Š| ||
| 61 | E | 90.9 | Very high | 92.8 | Very high | 119 Ų | 119 | 61.2 Ų | 61.2 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | trans | -60.6 | 123.7 | 175.5 | -174.9 | -159.3 | 166 | 0 | 0 | 110.6 | S59 S63 R117 | S59-E61 VanDerWaalsContact C-N 3.33Å; S59-E61 WeakPolarHBondContact OG-CB 3.11Å; S59-E61 PolarHBondContact OG-N 3.14Å; S59-E61 VanDerWaalsContact OG-N 3.17Å; E61-S63 PolarHBondContact O-N 3.16Å; E61-S63 VanDerWaalsContact O-N 3.08Å; E61-S63 WeakPolarHBondContact OE1-CB 3.34Å; E61-R117 PolarHBondContact O-NH2 3.32Å | ||
| 62 | R | 91.4 | Very high | 93 | Very high | 143 Ų | 143 | 57.3 Ų | 57.3 | 54% | 0.54 | 27% | 0.269 | S | S | . | . | trans | -84.5 | 54.8 | 177.5 | -62.8 | -163.9 | -178.3 | -143.1 | -3.9 | 112.9 | S60 E67 F116 E161 | S60-R62 PolarHBondContact O-N 3.37Å; R62-E67 VanDerWaalsContact CA-OE1 3.24Å; R62-E67 WeakPolarHBondContact CA-OE1 3.26Å; R62-E67 HydrophobicContact CB-CG 4.28Å; R62-E67 WeakPolarHBondContact CB-OE1 3.44Å; R62-E67 WeakPolarHBondContact CG-OE1 2.92Å; R62-F116 VanDerWaalsContact NH2-CE2 3.34Å; R62-E161 IonicContact CZ-OE1 3.14Å; R62-E161 IonicContact NH1-OE1 3.8Å; R62-E161 IonicContact NH2-OE1 2.78Å; R62-E161 PolarHBondContact NH2-OE1 3.41Å | ||
| 63 | S | 92.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | trans | -70.7 | 144.4 | 173.5 | 67.4 | 0 | 0 | 0 | 0 | 110.9 | E61 Y65 R66 E67 | E61-S63 PolarHBondContact O-N 3.16Å; E61-S63 VanDerWaalsContact O-N 3.08Å; E61-S63 WeakPolarHBondContact OE1-CB 3.34Å; S63-Y65 VanDerWaalsContact C-N 3.28Å; S63-Y65 PolarHBondContact O-N 3.09Å; S63-R66 PolarHBondContact O-N 2.9Å; S63-E67 PolarHBondContact O-N 3Å | ||
| 64 | L | 91.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 62% | 0.623 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -53.4 | -46.2 | -176.1 | -70.5 | 175 | 0 | 0 | 0 | 111.8 | R66 E67 R68 | L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.12Å; L64-E67 PolarHBondContact O-N 3.47Å; L64-R68 WeakPolarHBondContact O-CB 3.35Å; L64-R68 VanDerWaalsContact O-CD 3.31Å; L64-R68 WeakPolarHBondContact O-CD 3.32Å; L64-R68 WeakPolarHBondContact O-CG 3.41Å; L64-R68 PolarHBondContact O-N 2.93Å |
| 65 | Y | 93.2 | Very high | 93.3 | Very high | 129 Ų | 129 | 55.4 Ų | 55.4 | 51% | 0.506 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.3 | -47.5 | 177.1 | -54 | -73.3 | 0 | 0 | 0 | 112 | Q20 L21 S63 R68 T69 | Q20-Y65 HydrophobicContact CB-CD1 4.19Å; Q20-Y65 WeakPolarHBondContact O-CD1 3.21Å; L21-Y65 HydrophobicContact CD2-CE1 4.37Å; S63-Y65 VanDerWaalsContact C-N 3.28Å; S63-Y65 PolarHBondContact O-N 3.09Å; Y65-R68 PolarHBondContact O-N 3.37Å; Y65-T69 PolarHBondContact O-N 2.93Å; Y65-T69 PolarHBondContact O-OG1 3.18Å |
| 66 | R | 93.1 | Very high | 93.5 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 18% | 0.181 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71 | -41.4 | -177.5 | -171 | 177.5 | -65.6 | -89.7 | -8.4 | 113 | Y55 S56 S63 L64 R68 T69 I70 R117 | Y55-R66 PolarHBondContact O-NH1 2.78Å; S56-R66 PolarHBondContact O-NH1 3.21Å; S63-R66 PolarHBondContact O-N 2.9Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.12Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 3.24Å; R66-T69 PolarHBondContact O-N 3.49Å; R66-I70 WeakPolarHBondContact O-CG1 3.31Å; R66-I70 PolarHBondContact O-N 2.91Å; R66-R117 VanDerWaalsContact CD-NH2 3.34Å |
| 67 | E | 94.9 | Very high | 93.6 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 174.5 | -61.1 | -47.8 | 125.3 | 0 | 0 | 111 | R62 S63 L64 T69 I70 D71 R117 Q120 | R62-E67 VanDerWaalsContact CA-OE1 3.24Å; R62-E67 WeakPolarHBondContact CA-OE1 3.26Å; R62-E67 HydrophobicContact CB-CG 4.28Å; R62-E67 WeakPolarHBondContact CB-OE1 3.44Å; R62-E67 WeakPolarHBondContact CG-OE1 2.92Å; S63-E67 PolarHBondContact O-N 3Å; L64-E67 PolarHBondContact O-N 3.47Å; E67-T69 PolarHBondContact O-N 3.15Å; E67-I70 PolarHBondContact O-N 3.43Å; E67-D71 PolarHBondContact O-N 3.37Å; E67-R117 VanDerWaalsContact CD-NH1 3.34Å; E67-R117 IonicContact OE1-CZ 3.64Å; E67-R117 IonicContact OE1-NH1 2.67Å; E67-R117 PolarHBondContact OE1-NH1 3.15Å; E67-R117 IonicContact OE1-NH2 3.68Å; E67-R117 PolarHBondContact OE1-NH2 3.07Å; E67-R117 IonicContact OE2-NH1 2.61Å; E67-R117 PolarHBondContact OE2-NH1 2.82Å; E67-Q120 PolarHBondContact OE2-NE2 3.1Å |
| 68 | R | 95.3 | Very high | 93.5 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 23% | 0.226 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 176.8 | -62.4 | 165.6 | 172.8 | 179.7 | -8.8 | 112.7 | Q20 L21 N23 H26 L64 Y65 R66 D71 F72 | Q20-R68 WeakPolarHBondContact O-CD 3.39Å; Q20-R68 PolarHBondContact O-NH1 3.37Å; L21-R68 PolarHBondContact O-NH1 3.03Å; N23-R68 VanDerWaalsContact OD1-CG 3.23Å; N23-R68 WeakPolarHBondContact OD1-CG 3.32Å; H26-R68 PolarHBondContact CE1-O 3.47Å; H26-R68 VanDerWaalsContact CE1-O 3.26Å; L64-R68 WeakPolarHBondContact O-CB 3.35Å; L64-R68 VanDerWaalsContact O-CD 3.31Å; L64-R68 WeakPolarHBondContact O-CD 3.32Å; L64-R68 WeakPolarHBondContact O-CG 3.41Å; L64-R68 PolarHBondContact O-N 2.93Å; Y65-R68 PolarHBondContact O-N 3.37Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 3.24Å; R68-D71 PolarHBondContact O-N 2.83Å; R68-F72 WeakPolarHBondContact O-CB 3.5Å; R68-F72 PolarHBondContact O-N 3.24Å |
| 69 | T | 95.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 172.2 | -38.9 | 0 | 0 | 0 | 0 | 111.3 | F16 Q20 S56 Y65 R66 E67 F72 I73 | F16-T69 HydrophobicContact CD1-CG2 3.97Å; F16-T69 HydrophobicContact CE1-CG2 4.29Å; Q20-T69 WeakPolarHBondContact CG-OG1 3.36Å; S56-T69 WeakPolarHBondContact OG-CG2 3.49Å; Y65-T69 PolarHBondContact O-N 2.93Å; Y65-T69 PolarHBondContact O-OG1 3.18Å; R66-T69 PolarHBondContact O-N 3.49Å; E67-T69 PolarHBondContact O-N 3.15Å; T69-F72 PolarHBondContact O-N 2.63Å; T69-I73 HydrophobicContact CG2-CD1 3.96Å; T69-I73 HydrophobicContact CG2-CG1 4.44Å; T69-I73 WeakPolarHBondContact O-CB 3.35Å; T69-I73 WeakPolarHBondContact O-CD1 3.29Å; T69-I73 WeakPolarHBondContact O-CG1 3.37Å; T69-I73 PolarHBondContact O-N 3.25Å |
| 70 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 177.3 | -64.8 | -69.9 | 0 | 0 | 0 | 110.6 | R66 E67 F72 I73 T74 I121 K124 | R66-I70 WeakPolarHBondContact O-CG1 3.31Å; R66-I70 PolarHBondContact O-N 2.91Å; E67-I70 PolarHBondContact O-N 3.43Å; I70-F72 VanDerWaalsContact C-N 3.34Å; I70-F72 PolarHBondContact O-N 3.31Å; I70-I73 PolarHBondContact O-N 3.36Å; I70-T74 WeakPolarHBondContact O-CG2 3.47Å; I70-T74 PolarHBondContact O-N 3.24Å; I70-T74 PolarHBondContact O-OG1 3.44Å; I70-I121 HydrophobicContact CD1-CD1 3.86Å; I70-I121 HydrophobicContact CD1-CG1 3.95Å; I70-I121 HydrophobicContact CG2-CG1 4.13Å; I70-K124 HydrophobicContact CG2-CD 3.7Å |
| 71 | D | 95.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 44 Ų | 44 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 173 | -73.8 | -19.5 | 0 | 0 | 0 | 110.9 | E67 R68 T74 K75 K124 | E67-D71 PolarHBondContact O-N 3.37Å; R68-D71 PolarHBondContact O-N 2.83Å; D71-T74 PolarHBondContact O-N 3.02Å; D71-T74 PolarHBondContact O-OG1 3.46Å; D71-K75 WeakPolarHBondContact O-CB 3.31Å; D71-K75 PolarHBondContact O-N 2.92Å; D71-K124 IonicContact OD1-NZ 3.4Å; D71-K124 PolarHBondContact OD1-NZ 2.96Å |
| 72 | F | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 178.2 | -179.7 | -104.6 | 0 | 0 | 0 | 113 | V15 C19 H26 L29 L33 R68 T69 I70 T74 K75 F76 | V15-F72 HydrophobicContact CG1-CE1 3.53Å; V15-F72 HydrophobicContact CG1-CE2 4.47Å; V15-F72 HydrophobicContact CG1-CZ 3.41Å; V15-F72 VanDerWaalsContact CG1-CZ 3.41Å; C19-F72 HydrophobicContact CB-CB 3.83Å; C19-F72 HydrophobicContact CB-CD1 3.75Å; C19-F72 HydrophobicContact CB-CD2 3.96Å; C19-F72 HydrophobicContact CB-CE1 4.35Å; C19-F72 HydrophobicContact CB-CG 3.53Å; H26-F72 HydrophobicContact CB-CD2 4.14Å; H26-F72 AromaticContact CG-CD2 3.93Å; L29-F72 HydrophobicContact CB-CD2 4.47Å; L29-F72 HydrophobicContact CB-CE2 3.56Å; L29-F72 HydrophobicContact CB-CZ 3.93Å; L33-F72 HydrophobicContact CD2-CE1 3.89Å; L33-F72 HydrophobicContact CD2-CZ 3.96Å; R68-F72 WeakPolarHBondContact O-CB 3.5Å; R68-F72 PolarHBondContact O-N 3.24Å; T69-F72 PolarHBondContact O-N 2.63Å; I70-F72 VanDerWaalsContact C-N 3.34Å; I70-F72 PolarHBondContact O-N 3.31Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.18Å; F72-K75 PolarHBondContact O-N 3.1Å; F72-F76 HydrophobicContact CZ-CB 4.37Å; F72-F76 VanDerWaalsContact O-CB 3.25Å; F72-F76 WeakPolarHBondContact O-CB 3.34Å; F72-F76 PolarHBondContact O-N 3.46Å |
| 73 | I | 96.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.7 | -48.5 | 177.2 | -72.2 | 161.7 | 0 | 0 | 0 | 110.2 | F16 F49 C53 T69 I70 A77 L99 | F16-I73 HydrophobicContact CE1-CD1 3.99Å; F16-I73 HydrophobicContact CE1-CG1 3.9Å; F16-I73 HydrophobicContact CZ-CG1 4.08Å; F49-I73 HydrophobicContact CE1-CG2 4.47Å; F49-I73 HydrophobicContact CZ-CG2 4.18Å; C53-I73 HydrophobicContact CB-CD1 4.38Å; T69-I73 HydrophobicContact CG2-CD1 3.96Å; T69-I73 HydrophobicContact CG2-CG1 4.44Å; T69-I73 WeakPolarHBondContact O-CB 3.35Å; T69-I73 WeakPolarHBondContact O-CD1 3.29Å; T69-I73 WeakPolarHBondContact O-CG1 3.37Å; T69-I73 PolarHBondContact O-N 3.25Å; I70-I73 PolarHBondContact O-N 3.36Å; I73-A77 WeakPolarHBondContact O-CB 3.49Å; I73-A77 PolarHBondContact O-N 3.49Å; I73-L99 HydrophobicContact CG2-CD1 4.23Å; I73-L99 HydrophobicContact CG2-CD2 3.85Å |
| 74 | T | 95.6 | Very high | 88.1 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.6 | -42.7 | -179 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | I70 D71 F72 F76 A77 L78 I121 K124 L125 | I70-T74 WeakPolarHBondContact O-CG2 3.47Å; I70-T74 PolarHBondContact O-N 3.24Å; I70-T74 PolarHBondContact O-OG1 3.44Å; D71-T74 PolarHBondContact O-N 3.02Å; D71-T74 PolarHBondContact O-OG1 3.46Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.18Å; T74-F76 PolarHBondContact O-N 3.05Å; T74-A77 PolarHBondContact O-N 2.91Å; T74-L78 WeakPolarHBondContact O-CD1 3.32Å; T74-L78 VanDerWaalsContact O-CG 3.27Å; T74-L78 WeakPolarHBondContact O-CG 3.33Å; T74-L78 PolarHBondContact O-N 2.91Å; T74-I121 HydrophobicContact CG2-CG2 4.07Å; T74-K124 HydrophobicContact CG2-CB 3.87Å; T74-L125 HydrophobicContact CG2-CD2 3.88Å; T74-L125 HydrophobicContact CG2-CG 3.97Å |
| 75 | K | 94.3 | Very high | 86.2 | Confident | 69 Ų | 69 | 50.3 Ų | 50.3 | 30% | 0.3 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 176 | -178.9 | 173.5 | 175.6 | 174 | 0 | 111.7 | H26 D27 D71 F72 L78 F79 | H26-K75 HydrophobicContact CB-CD 4.18Å; D27-K75 WeakPolarHBondContact OD1-CE 3.38Å; D27-K75 IonicContact OD1-NZ 3.7Å; D27-K75 PolarHBondContact OD1-NZ 3.35Å; D27-K75 IonicContact OD2-NZ 2.73Å; D27-K75 PolarHBondContact OD2-NZ 3.4Å; D71-K75 WeakPolarHBondContact O-CB 3.31Å; D71-K75 PolarHBondContact O-N 2.92Å; F72-K75 PolarHBondContact O-N 3.1Å; K75-L78 PolarHBondContact O-N 3.36Å; K75-F79 VanDerWaalsContact O-CB 3.23Å; K75-F79 WeakPolarHBondContact O-CB 3.48Å; K75-F79 PolarHBondContact O-N 3.32Å |
| 76 | F | 95.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 178.2 | 179.5 | -110.1 | 0 | 0 | 0 | 112.4 | C30 L33 K34 F45 F49 F72 T74 L78 F79 C80 L95 | C30-F76 HydrophobicContact CB-CD2 4.19Å; L33-F76 HydrophobicContact CB-CD2 4.23Å; L33-F76 HydrophobicContact CB-CE2 3.71Å; L33-F76 HydrophobicContact CB-CZ 3.88Å; L33-F76 HydrophobicContact CD2-CD1 3.61Å; L33-F76 HydrophobicContact CD2-CD2 4.1Å; L33-F76 HydrophobicContact CD2-CE1 3.52Å; L33-F76 HydrophobicContact CD2-CE2 4.02Å; L33-F76 HydrophobicContact CD2-CG 3.9Å; L33-F76 HydrophobicContact CD2-CZ 3.73Å; L33-F76 HydrophobicContact CG-CD1 4.32Å; L33-F76 HydrophobicContact CG-CD2 4.39Å; L33-F76 HydrophobicContact CG-CE1 3.75Å; L33-F76 HydrophobicContact CG-CE2 3.84Å; L33-F76 HydrophobicContact CG-CZ 3.48Å; L33-F76 VanDerWaalsContact CG-CZ 3.48Å; K34-F76 HydrophobicContact CB-CE2 4.1Å; F45-F76 HydrophobicContact CE1-CE1 4.07Å; F45-F76 AromaticContact CZ-CE1 3.7Å; F45-F76 HydrophobicContact CZ-CE1 3.7Å; F45-F76 HydrophobicContact CZ-CZ 4.01Å; F49-F76 HydrophobicContact CD2-CD1 4.48Å; F49-F76 HydrophobicContact CD2-CE1 4.47Å; F49-F76 AromaticContact CE2-CD1 3.63Å; F49-F76 HydrophobicContact CE2-CD1 3.63Å; F49-F76 HydrophobicContact CE2-CE1 4.04Å; F49-F76 AromaticContact CZ-CD1 3.94Å; F49-F76 HydrophobicContact CZ-CD1 3.94Å; F72-F76 HydrophobicContact CZ-CB 4.37Å; F72-F76 VanDerWaalsContact O-CB 3.25Å; F72-F76 WeakPolarHBondContact O-CB 3.34Å; F72-F76 PolarHBondContact O-N 3.46Å; T74-F76 PolarHBondContact O-N 3.05Å; F76-L78 VanDerWaalsContact C-N 3.27Å; F76-L78 PolarHBondContact O-N 3.4Å; F76-F79 PolarHBondContact O-N 3.4Å; F76-C80 WeakPolarHBondContact CE2-SG 3.45Å; F76-C80 WeakPolarHBondContact CZ-SG 3.39Å; F76-C80 PolarHBondContact O-N 3.04Å; F76-C80 PolarHBondContact O-SG 3.35Å; F76-L95 HydrophobicContact CD1-CD2 3.71Å; F76-L95 HydrophobicContact CE1-CD2 3.41Å; F76-L95 VanDerWaalsContact CE1-CD2 3.41Å; F76-L95 HydrophobicContact CZ-CD2 4.35Å |
| 77 | A | 94.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | I73 T74 N93 L95 L99 L125 | I73-A77 WeakPolarHBondContact O-CB 3.49Å; I73-A77 PolarHBondContact O-N 3.49Å; T74-A77 PolarHBondContact O-N 2.91Å; A77-N93 PolarHBondContact O-ND2 2.89Å; A77-N93 PolarHBondContact O-OD1 2.98Å; A77-L95 HydrophobicContact CB-CG 4.47Å; A77-L99 HydrophobicContact CB-CD2 3.58Å; A77-L125 HydrophobicContact CB-CD2 4.13Å |
| 78 | L | 90.4 | Very high | 80.3 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.6 | -40 | 174.6 | -66 | 164.3 | 0 | 0 | 0 | 112.5 | T74 K75 F76 C80 G81 L96 L125 I129 | T74-L78 WeakPolarHBondContact O-CD1 3.32Å; T74-L78 VanDerWaalsContact O-CG 3.27Å; T74-L78 WeakPolarHBondContact O-CG 3.33Å; T74-L78 PolarHBondContact O-N 2.91Å; K75-L78 PolarHBondContact O-N 3.36Å; F76-L78 VanDerWaalsContact C-N 3.27Å; F76-L78 PolarHBondContact O-N 3.4Å; L78-C80 VanDerWaalsContact C-N 3.33Å; L78-C80 PolarHBondContact O-N 3.09Å; L78-G81 PolarHBondContact O-N 3.14Å; L78-L96 HydrophobicContact CD2-CD1 3.92Å; L78-L96 HydrophobicContact CD2-CD2 4.3Å; L78-L125 HydrophobicContact CD1-CD2 4.49Å; L78-L125 HydrophobicContact CG-CD2 4.16Å; L78-I129 HydrophobicContact CD2-CG1 3.84Å |
| 79 | F | 89.8 | Confident | 78.7 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 178.2 | -179.8 | -104 | 0 | 0 | 0 | 112.6 | C30 V31 K34 K75 F76 G81 K82 | C30-F79 HydrophobicContact CB-CD1 3.75Å; C30-F79 HydrophobicContact CB-CE1 3.99Å; C30-F79 HydrophobicContact CB-CG 4.06Å; V31-F79 HydrophobicContact CG2-CE1 4.47Å; V31-F79 HydrophobicContact CG2-CZ 4.01Å; K34-F79 HydrophobicContact CB-CD1 4.31Å; K34-F79 HydrophobicContact CB-CE1 3.85Å; K34-F79 HydrophobicContact CG-CE1 4.02Å; K75-F79 VanDerWaalsContact O-CB 3.23Å; K75-F79 WeakPolarHBondContact O-CB 3.48Å; K75-F79 PolarHBondContact O-N 3.32Å; F76-F79 PolarHBondContact O-N 3.4Å; F79-G81 PolarHBondContact O-N 3.2Å; F79-K82 PolarHBondContact O-N 3.22Å; F79-K82 VanDerWaalsContact O-N 3.15Å |
| 80 | C | 86.7 | Confident | 77.7 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 8% | 0.081 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.5 | -178.9 | -73.7 | 0 | 0 | 0 | 0 | 115.4 | F76 L78 L95 | F76-C80 WeakPolarHBondContact CE2-SG 3.45Å; F76-C80 WeakPolarHBondContact CZ-SG 3.39Å; F76-C80 PolarHBondContact O-N 3.04Å; F76-C80 PolarHBondContact O-SG 3.35Å; L78-C80 VanDerWaalsContact C-N 3.33Å; L78-C80 PolarHBondContact O-N 3.09Å; C80-L95 HydrophobicContact CB-CB 4.4Å; C80-L95 HydrophobicContact CB-CD2 4.29Å |
| 81 | G | 73.6 | Confident | 76.7 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -21.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L78 F79 S83 D89 N93 | L78-G81 PolarHBondContact O-N 3.14Å; F79-G81 PolarHBondContact O-N 3.2Å; G81-S83 PolarHBondContact O-N 2.81Å; G81-D89 WeakPolarHBondContact O-CB 3.49Å; G81-N93 WeakPolarHBondContact CA-ND2 3.41Å; G81-N93 PolarHBondContact N-ND2 3.06Å |
| 82 | K | 68.1 | Low | 75.8 | Confident | 159 Ų | 159 | 62.2 Ų | 62.2 | 69% | 0.691 | 33% | 0.331 | S | S | * | . | trans | -71.2 | 111.8 | -166.6 | -63.2 | -173.2 | 178.4 | -171.9 | 0 | 111.8 | F79 D89 | F79-K82 PolarHBondContact O-N 3.22Å; F79-K82 VanDerWaalsContact O-N 3.15Å; K82-D89 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 83 | S | 59.2 | Low | 75.4 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | trans | -107.8 | -178.5 | 162.8 | 80.9 | 0 | 0 | 0 | 0 | 109.6 | G81 D85 D89 | G81-S83 PolarHBondContact O-N 2.81Å; S83-D85 VanDerWaalsContact C-N 3.31Å; S83-D85 PolarHBondContact OG-N 2.97Å; S83-D89 WeakPolarHBondContact CB-OD1 3.26Å; S83-D89 PolarHBondContact N-OD2 2.92Å; S83-D89 PolarHBondContact OG-OD1 2.83Å | ||
| 84 | D | 54.7 | Low | 75 | Confident | 173 Ų | 173 | 69.2 Ų | 69.2 | 93% | 0.925 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -76.5 | -16.5 | 179.5 | -65.4 | -53.6 | 0 | 0 | 0 | 113.1 | S86 | D84-S86 PolarHBondContact O-N 3.19Š|
| 85 | D | 50.4 | Low | 74.9 | Confident | 141 Ų | 141 | 68.8 Ų | 68.8 | 75% | 0.754 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -94.2 | 64.6 | -178.7 | -97.2 | -40.8 | 0 | 0 | 0 | 112.7 | S83 N87 | S83-D85 VanDerWaalsContact C-N 3.31Å; S83-D85 PolarHBondContact OG-N 2.97Å; D85-N87 VanDerWaalsContact C-N 3.26Å; D85-N87 PolarHBondContact O-N 2.92Å |
| 86 | S | 54 | Low | 74.9 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -23.2 | -14.5 | -173.6 | 58 | 0 | 0 | 0 | 0 | 124 | D84 | D84-S86 PolarHBondContact O-N 3.19Š|
| 87 | N | 51.4 | Low | 74.7 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -9.9 | -168.9 | -71.8 | -40.1 | 0 | 0 | 0 | 116.5 | D85 | D85-N87 VanDerWaalsContact C-N 3.26Å; D85-N87 PolarHBondContact O-N 2.92Å |
| 88 | Q | 51.8 | Low | 74.7 | Confident | 147 Ų | 147 | 72.3 Ų | 72.3 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -110.4 | -0.5 | 176.5 | -67.9 | -163.1 | 1.2 | 0 | 0 | 114.6 | T90 N92 | Q88-T90 PolarHBondContact O-N 2.57Å; Q88-N92 PolarHBondContact O-ND2 3.18Å |
| 89 | D | 63.3 | Low | 74.9 | Confident | 30 Ų | 30 | 71 Ų | 71 | 16% | 0.16 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | -174.4 | -77.9 | -14.2 | 0 | 0 | 0 | 114.2 | G81 K82 S83 L91 N92 N93 | G81-D89 WeakPolarHBondContact O-CB 3.49Å; K82-D89 WeakPolarHBondContact CA-OD2 3.3Å; S83-D89 WeakPolarHBondContact CB-OD1 3.26Å; S83-D89 PolarHBondContact N-OD2 2.92Å; S83-D89 PolarHBondContact OG-OD1 2.83Å; D89-L91 PolarHBondContact O-N 3.27Å; D89-N92 CarbonylContact O-C 3.37Å; D89-N92 PolarHBondContact O-N 3.09Å; D89-N93 WeakPolarHBondContact O-CB 3.5Å; D89-N93 PolarHBondContact O-N 3.2Å |
| 90 | T | 72.7 | Confident | 75.2 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | -175 | 39.2 | 0 | 0 | 0 | 0 | 112.9 | Q88 N92 N93 I129 I134 | Q88-T90 PolarHBondContact O-N 2.57Å; T90-N92 VanDerWaalsContact C-N 3.28Å; T90-N92 PolarHBondContact O-N 2.93Å; T90-N93 PolarHBondContact O-N 2.72Å; T90-I129 HydrophobicContact CG2-CG1 4.39Å; T90-I129 HydrophobicContact CG2-CG2 4.4Å; T90-I134 WeakPolarHBondContact CB-O 3.43Å; T90-I134 PolarHBondContact OG1-N 2.95Å; T90-I134 PolarHBondContact OG1-O 3.2Å |
| 91 | L | 75.1 | Confident | 75.6 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 42% | 0.419 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.9 | -29.3 | 176.7 | -159.1 | 89.8 | 0 | 0 | 0 | 112.5 | D89 L97 I134 P136 | D89-L91 PolarHBondContact O-N 3.27Å; L91-L97 WeakPolarHBondContact O-CD1 3.49Å; L91-I134 HydrophobicContact CD1-CG2 3.99Å; L91-P136 HydrophobicContact CD1-CG 3.87Å |
| 92 | N | 77.5 | Confident | 76.6 | Confident | 109 Ų | 109 | 71.5 Ų | 71.5 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -94.2 | -10.1 | -178.4 | -68.8 | -65.2 | 0 | 0 | 0 | 113.4 | Q88 D89 T90 R94 | Q88-N92 PolarHBondContact O-ND2 3.18Å; D89-N92 CarbonylContact O-C 3.37Å; D89-N92 PolarHBondContact O-N 3.09Å; T90-N92 VanDerWaalsContact C-N 3.28Å; T90-N92 PolarHBondContact O-N 2.93Å; N92-R94 PolarHBondContact O-N 2.78Å |
| 93 | N | 88.2 | Confident | 78 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | trans | -72.7 | 87.9 | -178.3 | -174.3 | -14.3 | 0 | 0 | 0 | 111.9 | A77 G81 D89 T90 L95 L96 L97 | A77-N93 PolarHBondContact O-ND2 2.89Å; A77-N93 PolarHBondContact O-OD1 2.98Å; G81-N93 WeakPolarHBondContact CA-ND2 3.41Å; G81-N93 PolarHBondContact N-ND2 3.06Å; D89-N93 WeakPolarHBondContact O-CB 3.5Å; D89-N93 PolarHBondContact O-N 3.2Å; T90-N93 PolarHBondContact O-N 2.72Å; N93-L95 PolarHBondContact O-N 3.44Å; N93-L95 PolarHBondContact OD1-N 3.48Å; N93-L96 HydrophobicContact CB-CB 3.91Å; N93-L96 HydrophobicContact CB-CD2 4.25Å; N93-L96 WeakPolarHBondContact ND2-CB 3.33Å; N93-L96 PolarHBondContact O-N 3.2Å; N93-L96 PolarHBondContact OD1-N 3.33Å; N93-L96 VanDerWaalsContact OD1-N 3.09Å; N93-L97 WeakPolarHBondContact O-CG 3.29Å; N93-L97 PolarHBondContact O-N 3.3Å; N93-L97 VanDerWaalsContact O-N 3.07Å | ||
| 94 | R | 89.7 | Confident | 79.7 | Confident | 142 Ų | 142 | 62.3 Ų | 62.3 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56 | -33.6 | -178.4 | -64.9 | 174.8 | 59.9 | 177.7 | 0.4 | 114 | F42 N92 K98 | F42-R94 HydrophobicContact CD2-CB 4.28Å; F42-R94 HydrophobicContact CE2-CB 3.51Å; F42-R94 VanDerWaalsContact CG-NH2 3.32Å; F42-R94 HydrophobicContact CZ-CB 3.77Å; N92-R94 PolarHBondContact O-N 2.78Å; R94-K98 WeakPolarHBondContact O-CB 3.43Å; R94-K98 WeakPolarHBondContact O-CG 3.15Å; R94-K98 PolarHBondContact O-N 2.76Å; R94-K98 VanDerWaalsContact O-N 3.13Å |
| 95 | L | 93 | Very high | 81.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76 | -45.2 | -179 | -174.8 | 60 | 0 | 0 | 0 | 111.2 | Y37 F45 F49 F50 F76 A77 C80 N93 K98 L99 | Y37-L95 HydrophobicContact CD2-CD2 4.41Å; Y37-L95 HydrophobicContact CE2-CB 4.11Å; Y37-L95 HydrophobicContact CE2-CD2 4.38Å; F45-L95 HydrophobicContact CE1-CD2 4.37Å; F49-L95 HydrophobicContact CD1-CD1 4.18Å; F49-L95 HydrophobicContact CE1-CD1 4.22Å; F50-L95 HydrophobicContact CZ-CD1 4.05Å; F76-L95 HydrophobicContact CD1-CD2 3.71Å; F76-L95 HydrophobicContact CE1-CD2 3.41Å; F76-L95 VanDerWaalsContact CE1-CD2 3.41Å; F76-L95 HydrophobicContact CZ-CD2 4.35Å; A77-L95 HydrophobicContact CB-CG 4.47Å; C80-L95 HydrophobicContact CB-CB 4.4Å; C80-L95 HydrophobicContact CB-CD2 4.29Å; N93-L95 PolarHBondContact O-N 3.44Å; N93-L95 PolarHBondContact OD1-N 3.48Å; L95-K98 PolarHBondContact O-N 3.02Å; L95-L99 WeakPolarHBondContact O-CB 3.26Å; L95-L99 PolarHBondContact O-N 3.13Å |
| 96 | L | 93.1 | Very high | 83.6 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.4 | -51.5 | 173.5 | 176.1 | 63.9 | 0 | 0 | 0 | 111.7 | L78 N93 K98 L99 F100 L125 I129 | L78-L96 HydrophobicContact CD2-CD1 3.92Å; L78-L96 HydrophobicContact CD2-CD2 4.3Å; N93-L96 HydrophobicContact CB-CB 3.91Å; N93-L96 HydrophobicContact CB-CD2 4.25Å; N93-L96 WeakPolarHBondContact ND2-CB 3.33Å; N93-L96 PolarHBondContact O-N 3.2Å; N93-L96 PolarHBondContact OD1-N 3.33Å; N93-L96 VanDerWaalsContact OD1-N 3.09Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.28Å; L96-L99 PolarHBondContact O-N 2.92Å; L96-F100 HydrophobicContact CD1-CD2 4.11Å; L96-F100 HydrophobicContact CD1-CE2 3.53Å; L96-F100 HydrophobicContact CD1-CZ 4.19Å; L96-F100 HydrophobicContact CG-CD2 4.18Å; L96-F100 HydrophobicContact CG-CE2 3.8Å; L96-F100 VanDerWaalsContact O-CD2 3.29Å; L96-F100 WeakPolarHBondContact O-CD2 3.43Å; L96-F100 PolarHBondContact O-N 3.23Å; L96-L125 HydrophobicContact CD1-CB 4.24Å; L96-L125 HydrophobicContact CD1-CD1 4.32Å; L96-L125 HydrophobicContact CD1-CD2 3.76Å; L96-L125 HydrophobicContact CD1-CG 4.32Å; L96-I129 HydrophobicContact CD1-CD1 4.4Å; L96-I129 HydrophobicContact CD2-CD1 4.07Å; L96-I129 HydrophobicContact CD2-CG1 4.1Å |
| 97 | L | 92.5 | Very high | 85.4 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 178.2 | -64 | 177.2 | 0 | 0 | 0 | 112.1 | L91 N93 L101 P136 L139 | L91-L97 WeakPolarHBondContact O-CD1 3.49Å; N93-L97 WeakPolarHBondContact O-CG 3.29Å; N93-L97 PolarHBondContact O-N 3.3Å; N93-L97 VanDerWaalsContact O-N 3.07Å; L97-L101 WeakPolarHBondContact O-CG 3.06Å; L97-L101 PolarHBondContact O-N 3.17Å; L97-L101 VanDerWaalsContact O-N 3.15Å; L97-P136 HydrophobicContact CD2-CG 4.05Å; L97-L139 HydrophobicContact CD2-CD2 3.54Å |
| 98 | K | 93.7 | Very high | 87.2 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71 | -32.6 | 175.2 | -82 | -69.6 | -174.7 | -180 | 0 | 113.4 | F42 F50 R94 L95 L96 L101 F102 | F42-K98 HydrophobicContact CE1-CG 4.14Å; F42-K98 HydrophobicContact CZ-CB 4.45Å; F42-K98 HydrophobicContact CZ-CG 3.95Å; F50-K98 HydrophobicContact CE2-CB 3.84Å; F50-K98 HydrophobicContact CZ-CB 3.76Å; R94-K98 WeakPolarHBondContact O-CB 3.43Å; R94-K98 WeakPolarHBondContact O-CG 3.15Å; R94-K98 PolarHBondContact O-N 2.76Å; R94-K98 VanDerWaalsContact O-N 3.13Å; L95-K98 PolarHBondContact O-N 3.02Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.28Å; K98-L101 HydrophobicContact CD-CD1 4.35Å; K98-L101 PolarHBondContact O-N 2.86Å; K98-F102 WeakPolarHBondContact O-CB 3.47Å; K98-F102 PolarHBondContact O-N 2.88Å |
| 99 | L | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.2 | -38.3 | 176.3 | -179.2 | 60.3 | 0 | 0 | 0 | 111.5 | F50 I73 A77 L95 L96 F102 C103 I121 L125 | F50-L99 HydrophobicContact CD1-CD1 4.39Å; F50-L99 HydrophobicContact CE1-CB 3.99Å; F50-L99 HydrophobicContact CE1-CD1 3.76Å; F50-L99 HydrophobicContact CE1-CG 4.46Å; F50-L99 HydrophobicContact CZ-CB 4.28Å; I73-L99 HydrophobicContact CG2-CD1 4.23Å; I73-L99 HydrophobicContact CG2-CD2 3.85Å; A77-L99 HydrophobicContact CB-CD2 3.58Å; L95-L99 WeakPolarHBondContact O-CB 3.26Å; L95-L99 PolarHBondContact O-N 3.13Å; L96-L99 PolarHBondContact O-N 2.92Å; L99-F102 HydrophobicContact CD1-CD1 3.95Å; L99-F102 WeakPolarHBondContact O-CB 3.49Å; L99-F102 PolarHBondContact O-N 3.24Å; L99-C103 PolarHBondContact O-N 3.24Å; L99-C103 PolarHBondContact O-SG 2.92Å; L99-I121 HydrophobicContact CD1-CG2 4.22Å; L99-I121 HydrophobicContact CD2-CG2 4.19Å; L99-I121 HydrophobicContact CG-CG2 4.12Å; L99-L125 HydrophobicContact CB-CD1 4.39Å; L99-L125 HydrophobicContact CD2-CD1 3.67Å; L99-L125 HydrophobicContact CD2-CD2 4Å; L99-L125 HydrophobicContact CD2-CG 4.35Å; L99-L125 HydrophobicContact CG-CD1 3.79Å |
| 100 | F | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 168.1 | -75.3 | -63.1 | 0 | 0 | 0 | 111.7 | L96 F102 C103 I104 I122 L125 L126 I129 M135 L139 L143 | L96-F100 HydrophobicContact CD1-CD2 4.11Å; L96-F100 HydrophobicContact CD1-CE2 3.53Å; L96-F100 HydrophobicContact CD1-CZ 4.19Å; L96-F100 HydrophobicContact CG-CD2 4.18Å; L96-F100 HydrophobicContact CG-CE2 3.8Å; L96-F100 VanDerWaalsContact O-CD2 3.29Å; L96-F100 WeakPolarHBondContact O-CD2 3.43Å; L96-F100 PolarHBondContact O-N 3.23Å; F100-F102 VanDerWaalsContact C-N 3.27Å; F100-F102 PolarHBondContact O-N 2.94Å; F100-C103 PolarHBondContact O-N 3.3Å; F100-I104 WeakPolarHBondContact O-CB 3.09Å; F100-I104 VanDerWaalsContact O-CG1 3.28Å; F100-I104 WeakPolarHBondContact O-CG1 3.4Å; F100-I104 PolarHBondContact O-N 3.4Å; F100-I122 HydrophobicContact CD1-CG1 4.3Å; F100-I122 HydrophobicContact CE1-CG2 4.32Å; F100-L125 HydrophobicContact CD1-CD1 4.11Å; F100-L125 HydrophobicContact CE1-CB 3.67Å; F100-L125 HydrophobicContact CE1-CD1 3.95Å; F100-L125 HydrophobicContact CE1-CG 4.49Å; F100-L125 HydrophobicContact CE2-CB 4.3Å; F100-L125 HydrophobicContact CG-CD1 4.47Å; F100-L125 HydrophobicContact CZ-CB 3.48Å; F100-L125 VanDerWaalsContact CZ-CB 3.48Å; F100-L125 HydrophobicContact CZ-CD1 4.17Å; F100-L125 HydrophobicContact CZ-CG 4.47Å; F100-L126 HydrophobicContact CE1-CD2 4.38Å; F100-L126 HydrophobicContact CE1-CG 4.25Å; F100-L126 HydrophobicContact CZ-CD2 4.23Å; F100-L126 HydrophobicContact CZ-CG 4.4Å; F100-I129 HydrophobicContact CE2-CD1 3.87Å; F100-I129 HydrophobicContact CZ-CD1 3.82Å; F100-M135 HydrophobicContact CD2-CE 4.19Å; F100-M135 HydrophobicContact CE1-CE 4.36Å; F100-M135 HydrophobicContact CE2-CE 3.53Å; F100-M135 HydrophobicContact CZ-CE 3.64Å; F100-L139 HydrophobicContact CB-CD1 4.11Å; F100-L139 HydrophobicContact CB-CD2 4.1Å; F100-L139 HydrophobicContact CD2-CD2 4.13Å; F100-L139 HydrophobicContact CG-CD2 4.38Å; F100-L143 HydrophobicContact CB-CD1 4.49Å; F100-L143 HydrophobicContact CD1-CD1 3.65Å; F100-L143 HydrophobicContact CD1-CD2 4.03Å; F100-L143 HydrophobicContact CE1-CD1 3.94Å; F100-L143 HydrophobicContact CG-CD1 4.07Å |
| 101 | L | 94.6 | Very high | 91.6 | Very high | 85 Ų | 85 | 54.9 Ų | 54.9 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -32.2 | 177.1 | -70.2 | 169.9 | 0 | 0 | 0 | 113.1 | L97 K98 I104 K105 L139 | L97-L101 WeakPolarHBondContact O-CG 3.06Å; L97-L101 PolarHBondContact O-N 3.17Å; L97-L101 VanDerWaalsContact O-N 3.15Å; K98-L101 HydrophobicContact CD-CD1 4.35Å; K98-L101 PolarHBondContact O-N 2.86Å; L101-I104 HydrophobicContact CD2-CD1 4.33Å; L101-K105 WeakPolarHBondContact O-CB 3.4Å; L101-K105 PolarHBondContact O-N 3.24Å; L101-L139 HydrophobicContact CD2-CD1 4.17Å; L101-L139 HydrophobicContact CG-CD1 4.46Å |
| 102 | F | 95 | Very high | 92.5 | Very high | 15 Ų | 15 | 53 Ų | 53 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 171.7 | 170 | -91.6 | 0 | 0 | 0 | 111.2 | F50 C53 R54 L57 K98 L99 F100 I104 K105 Y106 | F50-F102 HydrophobicContact CB-CD2 3.89Å; F50-F102 HydrophobicContact CB-CE2 3.83Å; F50-F102 HydrophobicContact CD1-CB 4.1Å; F50-F102 HydrophobicContact CD1-CD1 4.23Å; F50-F102 AromaticContact CD1-CD2 3.67Å; F50-F102 HydrophobicContact CD1-CD2 3.67Å; F50-F102 HydrophobicContact CD1-CE2 4.07Å; F50-F102 AromaticContact CD1-CG 3.77Å; F50-F102 HydrophobicContact CD1-CG 3.77Å; F50-F102 HydrophobicContact CD1-CZ 4.5Å; F50-F102 HydrophobicContact CE1-CB 4.03Å; F50-F102 HydrophobicContact CE1-CD2 4.45Å; F50-F102 HydrophobicContact CE1-CG 4.15Å; F50-F102 AromaticContact CG-CD2 3.87Å; F50-F102 HydrophobicContact CG-CD2 3.87Å; F50-F102 HydrophobicContact CG-CE2 4.24Å; F50-F102 HydrophobicContact CG-CG 4.37Å; F50-F102 WeakPolarHBondContact O-CE2 3.29Å; C53-F102 HydrophobicContact CB-CE1 4.13Å; C53-F102 HydrophobicContact CB-CZ 3.88Å; R54-F102 HydrophobicContact CG-CE2 4.23Å; R54-F102 HydrophobicContact CG-CZ 4.08Å; L57-F102 HydrophobicContact CD1-CE1 3.84Å; L57-F102 HydrophobicContact CD1-CZ 3.88Å; K98-F102 WeakPolarHBondContact O-CB 3.47Å; K98-F102 PolarHBondContact O-N 2.88Å; L99-F102 HydrophobicContact CD1-CD1 3.95Å; L99-F102 WeakPolarHBondContact O-CB 3.49Å; L99-F102 PolarHBondContact O-N 3.24Å; F100-F102 VanDerWaalsContact C-N 3.27Å; F100-F102 PolarHBondContact O-N 2.94Å; F102-I104 VanDerWaalsContact C-N 3.33Å; F102-I104 PolarHBondContact O-N 3.27Å; F102-K105 WeakPolarHBondContact O-CB 3.46Å; F102-K105 PolarHBondContact O-N 3.14Å; F102-Y106 HydrophobicContact CD2-CD2 4Å; F102-Y106 AromaticContact CD2-CE2 3.72Å; F102-Y106 HydrophobicContact CD2-CE2 3.72Å; F102-Y106 AromaticContact CE2-CD2 3.95Å; F102-Y106 HydrophobicContact CE2-CD2 3.95Å; F102-Y106 AromaticContact CE2-CE2 3.59Å; F102-Y106 HydrophobicContact CE2-CE2 3.59Å; F102-Y106 HydrophobicContact CG-CD2 4.31Å; F102-Y106 HydrophobicContact CG-CE2 4.45Å; F102-Y106 HydrophobicContact CZ-CD2 4.23Å; F102-Y106 HydrophobicContact CZ-CE2 4.26Å; F102-Y106 VanDerWaalsContact O-CD2 3.26Å; F102-Y106 WeakPolarHBondContact O-CD2 3.48Å; F102-Y106 PolarHBondContact O-N 3.26Å |
| 103 | C | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 176.3 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | L99 F100 Y106 N107 C118 I121 I122 | L99-C103 PolarHBondContact O-N 3.24Å; L99-C103 PolarHBondContact O-SG 2.92Å; F100-C103 PolarHBondContact O-N 3.3Å; C103-Y106 PolarHBondContact O-N 2.98Å; C103-N107 WeakPolarHBondContact O-CB 3.31Å; C103-N107 PolarHBondContact O-N 3.1Å; C103-C118 HydrophobicContact CB-CB 4.18Å; C103-I121 WeakPolarHBondContact SG-CG2 3.31Å; C103-I122 HydrophobicContact CB-CD1 3.79Å; C103-I122 HydrophobicContact CB-CG1 3.73Å |
| 104 | I | 94.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.4 | -49.9 | 171.6 | -74.6 | 168.6 | 0 | 0 | 0 | 110.6 | F100 L101 F102 Y106 N107 L139 L143 I146 | F100-I104 WeakPolarHBondContact O-CB 3.09Å; F100-I104 VanDerWaalsContact O-CG1 3.28Å; F100-I104 WeakPolarHBondContact O-CG1 3.4Å; F100-I104 PolarHBondContact O-N 3.4Å; L101-I104 HydrophobicContact CD2-CD1 4.33Å; F102-I104 VanDerWaalsContact C-N 3.33Å; F102-I104 PolarHBondContact O-N 3.27Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.27Å; I104-N107 PolarHBondContact O-N 3.36Å; I104-N107 PolarHBondContact O-ND2 3.04Å; I104-L139 HydrophobicContact CD1-CD1 3.53Å; I104-L143 HydrophobicContact CD1-CD2 3.8Å; I104-L143 HydrophobicContact CD1-CG 4.14Å; I104-L143 HydrophobicContact CG1-CD2 3.82Å; I104-I146 HydrophobicContact CB-CD1 4.11Å; I104-I146 HydrophobicContact CG1-CD1 3.82Å; I104-I146 HydrophobicContact CG2-CD1 3.71Å |
| 105 | K | 93 | Very high | 94.1 | Very high | 147 Ų | 147 | 42.9 Ų | 42.9 | 64% | 0.639 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.8 | -37 | 179.8 | -175.8 | -173.4 | 176.5 | -166.6 | 0 | 113.2 | L101 F102 | L101-K105 WeakPolarHBondContact O-CB 3.4Å; L101-K105 PolarHBondContact O-N 3.24Å; F102-K105 WeakPolarHBondContact O-CB 3.46Å; F102-K105 PolarHBondContact O-N 3.14Å |
| 106 | Y | 93.6 | Very high | 94.3 | Very high | 54 Ų | 54 | 43 Ų | 43 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -97.1 | -2.7 | -175.8 | -68.2 | -72.7 | 0 | 0 | 0 | 114.6 | F102 C103 I104 E108 C109 | F102-Y106 HydrophobicContact CD2-CD2 4Å; F102-Y106 AromaticContact CD2-CE2 3.72Å; F102-Y106 HydrophobicContact CD2-CE2 3.72Å; F102-Y106 AromaticContact CE2-CD2 3.95Å; F102-Y106 HydrophobicContact CE2-CD2 3.95Å; F102-Y106 AromaticContact CE2-CE2 3.59Å; F102-Y106 HydrophobicContact CE2-CE2 3.59Å; F102-Y106 HydrophobicContact CG-CD2 4.31Å; F102-Y106 HydrophobicContact CG-CE2 4.45Å; F102-Y106 HydrophobicContact CZ-CD2 4.23Å; F102-Y106 HydrophobicContact CZ-CE2 4.26Å; F102-Y106 VanDerWaalsContact O-CD2 3.26Å; F102-Y106 WeakPolarHBondContact O-CD2 3.48Å; F102-Y106 PolarHBondContact O-N 3.26Å; C103-Y106 PolarHBondContact O-N 2.98Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.27Å; Y106-E108 PolarHBondContact O-N 3.17Å; Y106-E108 VanDerWaalsContact O-N 3.15Å; Y106-C109 VanDerWaalsContact O-CB 3.3Å; Y106-C109 WeakPolarHBondContact O-CB 3.15Å; Y106-C109 PolarHBondContact O-N 3Å; Y106-C109 VanDerWaalsContact O-N 3.14Å |
| 107 | N | 92.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.3 | -177.3 | 100.6 | 86.5 | 0 | 0 | 0 | 114.8 | C103 I104 R115 M119 I146 R150 | C103-N107 WeakPolarHBondContact O-CB 3.31Å; C103-N107 PolarHBondContact O-N 3.1Å; I104-N107 PolarHBondContact O-N 3.36Å; I104-N107 PolarHBondContact O-ND2 3.04Å; N107-R115 WeakPolarHBondContact O-CD 3.11Å; N107-R115 VanDerWaalsContact O-CG 3.25Å; N107-R115 WeakPolarHBondContact O-CG 3.22Å; N107-M119 HydrophobicContact CB-CE 3.91Å; N107-I146 HydrophobicContact CB-CG2 4Å; N107-R150 PolarHBondContact O-NE 3.36Å; N107-R150 VanDerWaalsContact O-NE 3.13Å; N107-R150 PolarHBondContact O-NH2 3.09Å; N107-R150 PolarHBondContact OD1-NE 3.03Å; N107-R150 PolarHBondContact OD1-NH2 2.88Å |
| 108 | E | 89.7 | Confident | 94.6 | Very high | 113 Ų | 113 | 41.1 Ų | 41.1 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 11.4 | -179.7 | -49.9 | -149.5 | 123.8 | 0 | 0 | 113 | Y106 R149 R150 | Y106-E108 PolarHBondContact O-N 3.17Å; Y106-E108 VanDerWaalsContact O-N 3.15Å; E108-R149 IonicContact OE1-CZ 2.7Å; E108-R149 IonicContact OE1-NH1 2.82Å; E108-R149 PolarHBondContact OE1-NH1 3.5Å; E108-R150 IonicContact OE1-NH2 3.6Å |
| 109 | C | 92.2 | Very high | 94.8 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | trans | -58.7 | 132.9 | 176.7 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | Y106 N111 V114 R115 | Y106-C109 VanDerWaalsContact O-CB 3.3Å; Y106-C109 WeakPolarHBondContact O-CB 3.15Å; Y106-C109 PolarHBondContact O-N 3Å; Y106-C109 VanDerWaalsContact O-N 3.14Å; C109-N111 PolarHBondContact O-N 2.74Å; C109-V114 HydrophobicContact CB-CB 3.95Å; C109-V114 HydrophobicContact CB-CG1 3.7Å; C109-R115 VanDerWaalsContact O-CD 3.24Å; C109-R115 WeakPolarHBondContact O-CD 3.38Å; C109-R115 VanDerWaalsContact O-CG 3.29Å; C109-R115 WeakPolarHBondContact O-CG 3.24Å; C109-R115 PolarHBondContact O-NE 3.27Å | ||
| 110 | P | 93.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 36.3 Ų | 36.3 | 75% | 0.747 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -55.5 | -38.1 | 178 | -29.2 | 36.1 | 0 | 0 | 0 | 113.5 | P112 R115 | P110-P112 VanDerWaalsContact O-CD 3.27Å; P110-P112 WeakPolarHBondContact O-CD 3.42Å; P110-R115 PolarHBondContact O-NH2 2.78Å |
| 111 | N | 94.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -62.2 | 114.6 | 176.4 | -178.7 | -3.3 | 0 | 0 | 0 | 110.8 | V58 C109 A113 V114 R115 | V58-N111 PolarHBondContact O-ND2 3.45Å; C109-N111 PolarHBondContact O-N 2.74Å; N111-A113 PolarHBondContact O-N 3.31Å; N111-A113 VanDerWaalsContact OD1-CB 3.31Å; N111-A113 WeakPolarHBondContact OD1-CB 3.32Å; N111-A113 PolarHBondContact OD1-N 3.18Å; N111-V114 HydrophobicContact CB-CG2 4.13Å; N111-V114 PolarHBondContact O-N 3.08Å; N111-R115 PolarHBondContact O-N 3.13Å |
| 112 | P | 94.9 | Very high | 95 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.4 | -24.1 | -178.9 | -15.1 | 27.1 | 0 | 0 | 0 | 114 | P110 R115 F116 K155 | P110-P112 VanDerWaalsContact O-CD 3.27Å; P110-P112 WeakPolarHBondContact O-CD 3.42Å; P112-R115 PolarHBondContact O-N 3.38Å; P112-F116 WeakPolarHBondContact O-CB 3.46Å; P112-F116 PolarHBondContact O-N 2.97Å; P112-K155 HydrophobicContact CB-CB 4.35Å; P112-K155 HydrophobicContact CB-CG 3.55Å; P112-K155 HydrophobicContact CG-CG 3.99Å |
| 113 | A | 95.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 5% | 0.05 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L57 V58 N111 F116 R117 | L57-A113 CarbonylContact O-C 3.41Å; V58-A113 WeakPolarHBondContact O-CB 3.36Å; N111-A113 PolarHBondContact O-N 3.31Å; N111-A113 VanDerWaalsContact OD1-CB 3.31Å; N111-A113 WeakPolarHBondContact OD1-CB 3.32Å; N111-A113 PolarHBondContact OD1-N 3.18Å; A113-F116 PolarHBondContact O-N 3.5Å; A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 WeakPolarHBondContact O-CG 3.34Å; A113-R117 PolarHBondContact O-N 3.39Å |
| 114 | V | 96.2 | Very high | 95 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | L57 C109 N111 R117 C118 | L57-V114 HydrophobicContact CB-CG1 4.35Å; L57-V114 HydrophobicContact CB-CG2 4.28Å; L57-V114 HydrophobicContact CD1-CG1 4.25Å; L57-V114 WeakPolarHBondContact O-CA 3.33Å; L57-V114 PolarHBondContact O-N 2.93Å; C109-V114 HydrophobicContact CB-CB 3.95Å; C109-V114 HydrophobicContact CB-CG1 3.7Å; N111-V114 HydrophobicContact CB-CG2 4.13Å; N111-V114 PolarHBondContact O-N 3.08Å; V114-R117 PolarHBondContact O-N 2.91Å; V114-C118 WeakPolarHBondContact O-CB 3.29Å; V114-C118 PolarHBondContact O-N 3.41Å; V114-C118 PolarHBondContact O-SG 2.86Å |
| 115 | R | 96.4 | Very high | 95 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 176.1 | -62.1 | -169 | -101.3 | 126.6 | 1.2 | 111.9 | N107 C109 P110 N111 P112 R117 C118 M119 D153 V158 | N107-R115 WeakPolarHBondContact O-CD 3.11Å; N107-R115 VanDerWaalsContact O-CG 3.25Å; N107-R115 WeakPolarHBondContact O-CG 3.22Å; C109-R115 VanDerWaalsContact O-CD 3.24Å; C109-R115 WeakPolarHBondContact O-CD 3.38Å; C109-R115 VanDerWaalsContact O-CG 3.29Å; C109-R115 WeakPolarHBondContact O-CG 3.24Å; C109-R115 PolarHBondContact O-NE 3.27Å; P110-R115 PolarHBondContact O-NH2 2.78Å; N111-R115 PolarHBondContact O-N 3.13Å; P112-R115 PolarHBondContact O-N 3.38Å; R115-R117 PolarHBondContact O-N 2.66Å; R115-C118 PolarHBondContact O-N 3.27Å; R115-M119 WeakPolarHBondContact O-CG 3.45Å; R115-M119 PolarHBondContact O-N 3.39Å; R115-D153 IonicContact CZ-OD2 2.64Å; R115-D153 IonicContact NH1-OD1 3.83Å; R115-D153 PolarHBondContact NH1-OD1 3.08Å; R115-D153 IonicContact NH1-OD2 2.73Å; R115-D153 PolarHBondContact NH1-OD2 3.49Å; R115-V158 HydrophobicContact CB-CG1 4.27Å; R115-V158 HydrophobicContact CB-CG2 4.21Å |
| 116 | F | 96.8 | Very high | 95 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.9 | -49.8 | 176.2 | 160.8 | -111.2 | 0 | 0 | 0 | 111.8 | R62 P112 A113 C118 M119 Q120 S157 V158 E161 | R62-F116 VanDerWaalsContact NH2-CE2 3.34Å; P112-F116 WeakPolarHBondContact O-CB 3.46Å; P112-F116 PolarHBondContact O-N 2.97Å; A113-F116 PolarHBondContact O-N 3.5Å; F116-C118 PolarHBondContact O-N 3.12Å; F116-M119 PolarHBondContact O-N 3.07Å; F116-Q120 WeakPolarHBondContact O-CB 3.46Å; F116-Q120 PolarHBondContact O-N 2.93Å; F116-S157 WeakPolarHBondContact CD2-O 3.46Å; F116-V158 HydrophobicContact CB-CG2 3.9Å; F116-E161 HydrophobicContact CD2-CG 3.81Å; F116-E161 HydrophobicContact CE2-CG 3.51Å |
| 117 | R | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -34.9 | 179.5 | -67.5 | -67.5 | -178 | -171 | -0.6 | 112.6 | L57 S59 E61 R66 E67 A113 V114 R115 I121 | L57-R117 HydrophobicContact CB-CB 4.35Å; L57-R117 HydrophobicContact CD2-CB 3.66Å; S59-R117 PolarHBondContact O-NE 2.89Å; E61-R117 PolarHBondContact O-NH2 3.32Å; R66-R117 VanDerWaalsContact CD-NH2 3.34Å; E67-R117 VanDerWaalsContact CD-NH1 3.34Å; E67-R117 IonicContact OE1-CZ 3.64Å; E67-R117 IonicContact OE1-NH1 2.67Å; E67-R117 PolarHBondContact OE1-NH1 3.15Å; E67-R117 IonicContact OE1-NH2 3.68Å; E67-R117 PolarHBondContact OE1-NH2 3.07Å; E67-R117 IonicContact OE2-NH1 2.61Å; E67-R117 PolarHBondContact OE2-NH1 2.82Å; A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 WeakPolarHBondContact O-CG 3.34Å; A113-R117 PolarHBondContact O-N 3.39Å; V114-R117 PolarHBondContact O-N 2.91Å; R115-R117 PolarHBondContact O-N 2.66Å; R117-I121 WeakPolarHBondContact O-CD1 3.49Å; R117-I121 VanDerWaalsContact O-CG1 3.27Å; R117-I121 WeakPolarHBondContact O-CG1 3.28Å; R117-I121 PolarHBondContact O-N 3.06Å |
| 118 | C | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 171.6 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | C103 V114 R115 F116 I121 I122 | C103-C118 HydrophobicContact CB-CB 4.18Å; V114-C118 WeakPolarHBondContact O-CB 3.29Å; V114-C118 PolarHBondContact O-N 3.41Å; V114-C118 PolarHBondContact O-SG 2.86Å; R115-C118 PolarHBondContact O-N 3.27Å; F116-C118 PolarHBondContact O-N 3.12Å; C118-I121 PolarHBondContact O-N 2.85Å; C118-I122 VanDerWaalsContact O-CG1 3.3Å; C118-I122 WeakPolarHBondContact O-CG1 3.05Å; C118-I122 PolarHBondContact O-N 3.38Å |
| 119 | M | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.3 | -62.1 | -53.4 | 93.7 | 0 | 0 | 111.2 | N107 R115 F116 I121 I122 H123 I146 L147 R150 V158 E161 A162 | N107-M119 HydrophobicContact CB-CE 3.91Å; R115-M119 WeakPolarHBondContact O-CG 3.45Å; R115-M119 PolarHBondContact O-N 3.39Å; F116-M119 PolarHBondContact O-N 3.07Å; M119-I121 VanDerWaalsContact C-N 3.34Å; M119-I121 PolarHBondContact O-N 3.13Å; M119-I122 HydrophobicContact CE-CD1 3.94Å; M119-I122 PolarHBondContact O-N 2.82Å; M119-H123 WeakPolarHBondContact O-CB 3.26Å; M119-H123 PolarHBondContact O-N 3.03Å; M119-I146 HydrophobicContact CE-CG2 4.26Å; M119-L147 HydrophobicContact SD-CD2 3.63Å; M119-R150 HydrophobicContact CE-CG 4.13Å; M119-R150 HydrophobicContact CG-CB 4.35Å; M119-R150 HydrophobicContact SD-CB 3.57Å; M119-R150 VanDerWaalsContact SD-CB 3.57Å; M119-R150 HydrophobicContact SD-CG 3.64Å; M119-V158 HydrophobicContact CG-CG1 3.79Å; M119-E161 HydrophobicContact CB-CB 3.73Å; M119-A162 HydrophobicContact CG-CB 4.25Å; M119-A162 HydrophobicContact SD-CB 4.16Å |
| 120 | Q | 97.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 178.2 | -169.8 | -166.6 | 33.1 | 0 | 0 | 112.7 | E67 F116 K124 E161 | E67-Q120 PolarHBondContact OE2-NE2 3.1Å; F116-Q120 WeakPolarHBondContact O-CB 3.46Å; F116-Q120 PolarHBondContact O-N 2.93Å; Q120-K124 HydrophobicContact CG-CD 4.27Å; Q120-K124 WeakPolarHBondContact O-CB 3.35Å; Q120-K124 WeakPolarHBondContact O-CG 3.47Å; Q120-K124 PolarHBondContact O-N 3.46Å; Q120-E161 WeakPolarHBondContact CA-OE2 3.25Å; Q120-E161 HydrophobicContact CB-CG 4.14Å; Q120-E161 WeakPolarHBondContact CG-OE2 3.38Å |
| 121 | I | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | 174 | -69.7 | 164.8 | 0 | 0 | 0 | 110.2 | L57 I70 T74 L99 C103 R117 C118 M119 H123 K124 L125 | L57-I121 HydrophobicContact CD2-CD1 3.64Å; I70-I121 HydrophobicContact CD1-CD1 3.86Å; I70-I121 HydrophobicContact CD1-CG1 3.95Å; I70-I121 HydrophobicContact CG2-CG1 4.13Å; T74-I121 HydrophobicContact CG2-CG2 4.07Å; L99-I121 HydrophobicContact CD1-CG2 4.22Å; L99-I121 HydrophobicContact CD2-CG2 4.19Å; L99-I121 HydrophobicContact CG-CG2 4.12Å; C103-I121 WeakPolarHBondContact SG-CG2 3.31Å; R117-I121 WeakPolarHBondContact O-CD1 3.49Å; R117-I121 VanDerWaalsContact O-CG1 3.27Å; R117-I121 WeakPolarHBondContact O-CG1 3.28Å; R117-I121 PolarHBondContact O-N 3.06Å; C118-I121 PolarHBondContact O-N 2.85Å; M119-I121 VanDerWaalsContact C-N 3.34Å; M119-I121 PolarHBondContact O-N 3.13Å; I121-H123 PolarHBondContact O-N 2.84Å; I121-K124 PolarHBondContact O-N 2.88Å; I121-L125 HydrophobicContact CG2-CD1 3.7Å; I121-L125 HydrophobicContact CG2-CG 4.2Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 WeakPolarHBondContact O-CG 3.1Å; I121-L125 PolarHBondContact O-N 3.33Å |
| 122 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 177.9 | -69.4 | 166.2 | 0 | 0 | 0 | 110.8 | F100 C103 C118 M119 L125 L126 L143 L147 A165 | F100-I122 HydrophobicContact CD1-CG1 4.3Å; F100-I122 HydrophobicContact CE1-CG2 4.32Å; C103-I122 HydrophobicContact CB-CD1 3.79Å; C103-I122 HydrophobicContact CB-CG1 3.73Å; C118-I122 VanDerWaalsContact O-CG1 3.3Å; C118-I122 WeakPolarHBondContact O-CG1 3.05Å; C118-I122 PolarHBondContact O-N 3.38Å; M119-I122 HydrophobicContact CE-CD1 3.94Å; M119-I122 PolarHBondContact O-N 2.82Å; I122-L125 PolarHBondContact O-N 3.05Å; I122-L126 HydrophobicContact CG2-CD1 3.77Å; I122-L126 HydrophobicContact CG2-CG 4.32Å; I122-L126 WeakPolarHBondContact O-CB 3.4Å; I122-L126 VanDerWaalsContact O-CG 3.3Å; I122-L126 WeakPolarHBondContact O-CG 3.34Å; I122-L126 PolarHBondContact O-N 2.54Å; I122-L143 HydrophobicContact CD1-CD2 3.88Å; I122-L143 HydrophobicContact CG1-CD2 4.16Å; I122-L143 HydrophobicContact CG2-CD2 4.1Å; I122-L147 HydrophobicContact CG2-CD1 4.12Å; I122-L147 HydrophobicContact CG2-CD2 4.18Å; I122-A165 HydrophobicContact CG2-CB 4.2Å |
| 123 | H | 95.8 | Very high | 91.6 | Very high | 26 Ų | 26 | 30 Ų | 30 | 12% | 0.12 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.8 | -57.7 | 173.7 | 165.7 | -157.8 | 0 | 0 | 0 | 111.9 | M119 I121 L125 L126 D127 E161 Q164 A165 | M119-H123 WeakPolarHBondContact O-CB 3.26Å; M119-H123 PolarHBondContact O-N 3.03Å; I121-H123 PolarHBondContact O-N 2.84Å; H123-L125 VanDerWaalsContact C-N 3.29Å; H123-L125 PolarHBondContact O-N 3.47Å; H123-L126 PolarHBondContact O-N 3.3Å; H123-L126 VanDerWaalsContact O-N 3.15Å; H123-D127 IonicContact CD2-OD1 3.36Å; H123-D127 IonicContact NE2-OD2 3.84Å; H123-D127 PolarHBondContact O-N 3.43Å; H123-E161 IonicContact CE1-OE2 3.68Å; H123-E161 IonicContact CG-OE2 3.21Å; H123-E161 IonicContact ND1-OE2 2.68Å; H123-E161 PolarHBondContact ND1-OE2 2.82Å; H123-Q164 VanDerWaalsContact CE1-CB 3.45Å; H123-Q164 WeakPolarHBondContact CE1-CB 3.48Å; H123-Q164 VanDerWaalsContact CE1-CD 3.5Å; H123-Q164 PolarHBondContact CE1-OE1 2.94Å; H123-A165 HydrophobicContact CB-CB 3.92Å |
| 124 | K | 95.8 | Very high | 91 | Very high | 55 Ų | 55 | 34 Ų | 34 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -33.4 | -179.1 | -76.7 | 171.8 | 176.5 | -73.6 | 0 | 113.8 | I70 D71 T74 Q120 I121 G128 | I70-K124 HydrophobicContact CG2-CD 3.7Å; D71-K124 IonicContact OD1-NZ 3.4Å; D71-K124 PolarHBondContact OD1-NZ 2.96Å; T74-K124 HydrophobicContact CG2-CB 3.87Å; Q120-K124 HydrophobicContact CG-CD 4.27Å; Q120-K124 WeakPolarHBondContact O-CB 3.35Å; Q120-K124 WeakPolarHBondContact O-CG 3.47Å; Q120-K124 PolarHBondContact O-N 3.46Å; I121-K124 PolarHBondContact O-N 2.88Å; K124-G128 PolarHBondContact O-N 3.22Å |
| 125 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.1 | -41.5 | 174.9 | -67.2 | 172.5 | 0 | 0 | 0 | 112.1 | T74 A77 L78 L96 L99 F100 I121 I122 H123 G128 I129 | T74-L125 HydrophobicContact CG2-CD2 3.88Å; T74-L125 HydrophobicContact CG2-CG 3.97Å; A77-L125 HydrophobicContact CB-CD2 4.13Å; L78-L125 HydrophobicContact CD1-CD2 4.49Å; L78-L125 HydrophobicContact CG-CD2 4.16Å; L96-L125 HydrophobicContact CD1-CB 4.24Å; L96-L125 HydrophobicContact CD1-CD1 4.32Å; L96-L125 HydrophobicContact CD1-CD2 3.76Å; L96-L125 HydrophobicContact CD1-CG 4.32Å; L99-L125 HydrophobicContact CB-CD1 4.39Å; L99-L125 HydrophobicContact CD2-CD1 3.67Å; L99-L125 HydrophobicContact CD2-CD2 4Å; L99-L125 HydrophobicContact CD2-CG 4.35Å; L99-L125 HydrophobicContact CG-CD1 3.79Å; F100-L125 HydrophobicContact CD1-CD1 4.11Å; F100-L125 HydrophobicContact CE1-CB 3.67Å; F100-L125 HydrophobicContact CE1-CD1 3.95Å; F100-L125 HydrophobicContact CE1-CG 4.49Å; F100-L125 HydrophobicContact CE2-CB 4.3Å; F100-L125 HydrophobicContact CG-CD1 4.47Å; F100-L125 HydrophobicContact CZ-CB 3.48Å; F100-L125 VanDerWaalsContact CZ-CB 3.48Å; F100-L125 HydrophobicContact CZ-CD1 4.17Å; F100-L125 HydrophobicContact CZ-CG 4.47Å; I121-L125 HydrophobicContact CG2-CD1 3.7Å; I121-L125 HydrophobicContact CG2-CG 4.2Å; I121-L125 WeakPolarHBondContact O-CB 3.47Å; I121-L125 WeakPolarHBondContact O-CG 3.1Å; I121-L125 PolarHBondContact O-N 3.33Å; I122-L125 PolarHBondContact O-N 3.05Å; H123-L125 VanDerWaalsContact C-N 3.29Å; H123-L125 PolarHBondContact O-N 3.47Å; L125-G128 PolarHBondContact O-N 2.81Å; L125-I129 WeakPolarHBondContact O-CB 3.36Å; L125-I129 WeakPolarHBondContact O-CD1 3.42Å; L125-I129 WeakPolarHBondContact O-CG1 3.15Å; L125-I129 PolarHBondContact O-N 2.86Å; L125-I129 VanDerWaalsContact O-N 3.12Å |
| 126 | L | 93.3 | Very high | 90.2 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.4 | -72.9 | 172.1 | 0 | 0 | 0 | 111.1 | F100 I122 H123 M135 L147 A165 R168 M169 | F100-L126 HydrophobicContact CE1-CD2 4.38Å; F100-L126 HydrophobicContact CE1-CG 4.25Å; F100-L126 HydrophobicContact CZ-CD2 4.23Å; F100-L126 HydrophobicContact CZ-CG 4.4Å; I122-L126 HydrophobicContact CG2-CD1 3.77Å; I122-L126 HydrophobicContact CG2-CG 4.32Å; I122-L126 WeakPolarHBondContact O-CB 3.4Å; I122-L126 VanDerWaalsContact O-CG 3.3Å; I122-L126 WeakPolarHBondContact O-CG 3.34Å; I122-L126 PolarHBondContact O-N 2.54Å; H123-L126 PolarHBondContact O-N 3.3Å; H123-L126 VanDerWaalsContact O-N 3.15Å; L126-M135 HydrophobicContact CD2-CE 3.84Å; L126-L147 HydrophobicContact CD1-CD1 4.28Å; L126-A165 HydrophobicContact CD1-CB 4.11Å; L126-A165 WeakPolarHBondContact CD1-O 3.47Å; L126-R168 PolarHBondContact O-NH1 3.41Å; L126-M169 HydrophobicContact CD1-CG 4.41Å; L126-M169 HydrophobicContact CD1-SD 3.98Å |
| 127 | D | 91.2 | Very high | 89.9 | Confident | 78 Ų | 78 | 41 Ų | 41 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -53.7 | 173.2 | -88.4 | 21.7 | 0 | 0 | 0 | 111.8 | H123 I129 G130 R168 | H123-D127 IonicContact CD2-OD1 3.36Å; H123-D127 IonicContact NE2-OD2 3.84Å; H123-D127 PolarHBondContact O-N 3.43Å; D127-I129 PolarHBondContact O-N 3.23Å; D127-I129 VanDerWaalsContact O-N 3.12Å; D127-G130 PolarHBondContact O-N 3.32Å; D127-R168 WeakPolarHBondContact OD1-CD 3.47Å |
| 128 | G | 89.3 | Confident | 89.7 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.9 | -7.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K124 L125 | K124-G128 PolarHBondContact O-N 3.22Å; L125-G128 PolarHBondContact O-N 2.81Å |
| 129 | I | 88.3 | Confident | 89.5 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -26.2 | 169.6 | -84.1 | 166.6 | 0 | 0 | 0 | 112.3 | L78 T90 L96 F100 L125 D127 G133 M135 | L78-I129 HydrophobicContact CD2-CG1 3.84Å; T90-I129 HydrophobicContact CG2-CG1 4.39Å; T90-I129 HydrophobicContact CG2-CG2 4.4Å; L96-I129 HydrophobicContact CD1-CD1 4.4Å; L96-I129 HydrophobicContact CD2-CD1 4.07Å; L96-I129 HydrophobicContact CD2-CG1 4.1Å; F100-I129 HydrophobicContact CE2-CD1 3.87Å; F100-I129 HydrophobicContact CZ-CD1 3.82Å; L125-I129 WeakPolarHBondContact O-CB 3.36Å; L125-I129 WeakPolarHBondContact O-CD1 3.42Å; L125-I129 WeakPolarHBondContact O-CG1 3.15Å; L125-I129 PolarHBondContact O-N 2.86Å; L125-I129 VanDerWaalsContact O-N 3.12Å; D127-I129 PolarHBondContact O-N 3.23Å; D127-I129 VanDerWaalsContact O-N 3.12Å; I129-G133 VanDerWaalsContact CG2-CA 3.44Å; I129-M135 HydrophobicContact CD1-CE 3.98Å |
| 130 | G | 82.4 | Confident | 89.3 | Confident | 29 Ų | 29 | 52 Ų | 52 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | trans | 73 | -177.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D127 R168 | D127-G130 PolarHBondContact O-N 3.32Å; G130-R168 PolarHBondContact O-NH1 3.1Å; G130-R168 PolarHBondContact O-NH2 3.31Å | ||
| 131 | D | 76.6 | Confident | 89.2 | Confident | 147 Ų | 147 | 59 Ų | 59 | 79% | 0.786 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -28.6 | -166.9 | -57.3 | -45.9 | 0 | 0 | 0 | 114.6 | G133 R168 | D131-G133 PolarHBondContact O-N 3.36Å; D131-R168 VanDerWaalsContact CA-NH2 3.33Å; D131-R168 IonicContact OD1-CZ 2.71Å; D131-R168 IonicContact OD1-NH2 3.56Å; D131-R168 PolarHBondContact OD1-NH2 2.77Å |
| 132 | N | 72.5 | Confident | 89.1 | Confident | 126 Ų | 126 | 61 Ų | 61 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 20.2 | 176.2 | -60.7 | -13.1 | 0 | 0 | 0 | 112.9 | I134 | N132-I134 PolarHBondContact O-N 2.91Š|
| 133 | G | 77.7 | Confident | 89.1 | Confident | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | trans | -74.8 | 112.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I129 D131 | I129-G133 VanDerWaalsContact CG2-CA 3.44Å; D131-G133 PolarHBondContact O-N 3.36Å | ||
| 134 | I | 82.2 | Confident | 89.1 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 46% | 0.456 | 33% | 0.329 | S | S | . | . | trans | -89.6 | 130.4 | 175.1 | -48.9 | -179.6 | 0 | 0 | 0 | 110.7 | T90 L91 N132 | T90-I134 WeakPolarHBondContact CB-O 3.43Å; T90-I134 PolarHBondContact OG1-N 2.95Å; T90-I134 PolarHBondContact OG1-O 3.2Å; L91-I134 HydrophobicContact CD1-CG2 3.99Å; N132-I134 PolarHBondContact O-N 2.91Å | ||
| 135 | M | 85.9 | Confident | 89.1 | Confident | 38 Ų | 38 | 62 Ų | 62 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | trans | -126.4 | 146.9 | 175.4 | -173.2 | 173.2 | -70.7 | 0 | 0 | 110.5 | F100 L126 I129 E137 L139 L143 | F100-M135 HydrophobicContact CD2-CE 4.19Å; F100-M135 HydrophobicContact CE1-CE 4.36Å; F100-M135 HydrophobicContact CE2-CE 3.53Å; F100-M135 HydrophobicContact CZ-CE 3.64Å; L126-M135 HydrophobicContact CD2-CE 3.84Å; I129-M135 HydrophobicContact CD1-CE 3.98Å; M135-E137 PolarHBondContact O-N 2.83Å; M135-L139 HydrophobicContact CG-CB 4.28Å; M135-L139 HydrophobicContact CG-CD2 4.09Å; M135-L139 HydrophobicContact CG-CG 4.3Å; M135-L139 HydrophobicContact SD-CB 4.41Å; M135-L139 HydrophobicContact SD-CD2 4.1Å; M135-L139 HydrophobicContact SD-CG 3.99Å; M135-L143 HydrophobicContact CE-CD1 4.05Å; M135-L143 HydrophobicContact SD-CD1 3.66Å | ||
| 136 | P | 90.4 | Very high | 89.2 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | trans | -61.3 | 130.8 | 171.8 | -22.8 | 34.2 | 0 | 0 | 0 | 111.9 | L91 L97 E138 L139 Y140 | L91-P136 HydrophobicContact CD1-CG 3.87Å; L97-P136 HydrophobicContact CD2-CG 4.05Å; P136-E138 VanDerWaalsContact C-N 3.32Å; P136-E138 PolarHBondContact O-N 2.84Å; P136-L139 HydrophobicContact CB-CB 4.4Å; P136-L139 WeakPolarHBondContact O-CA 3.35Å; P136-L139 WeakPolarHBondContact O-CB 3.36Å; P136-L139 PolarHBondContact O-N 3.48Å; P136-Y140 PolarHBondContact O-N 2.82Å | ||
| 137 | E | 90.2 | Very high | 89.4 | Confident | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -48.4 | -46.7 | -175.8 | -175.6 | 65.1 | -171.1 | 0 | 0 | 114.1 | M135 L139 Y140 R141 | M135-E137 PolarHBondContact O-N 2.83Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.36Å; E137-Y140 WeakPolarHBondContact O-CB 3.31Å; E137-Y140 PolarHBondContact O-N 3.39Å; E137-R141 WeakPolarHBondContact O-CG 3.41Å; E137-R141 PolarHBondContact O-N 3.44Å; E137-R141 IonicContact OE1-CZ 3.54Å; E137-R141 IonicContact OE1-NE 3.53Å; E137-R141 PolarHBondContact OE1-NE 3.5Å; E137-R141 IonicContact OE1-NH2 3.91Å; E137-R141 PolarHBondContact OE1-NH2 3.2Å |
| 138 | E | 92.4 | Very high | 89.7 | Confident | 143 Ų | 143 | 60.2 Ų | 60.2 | 67% | 0.668 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -35.7 | 179 | -172.9 | 61.5 | -159.3 | 0 | 0 | 112.4 | P136 S142 | P136-E138 VanDerWaalsContact C-N 3.32Å; P136-E138 PolarHBondContact O-N 2.84Å; E138-S142 VanDerWaalsContact O-CB 3.25Å; E138-S142 WeakPolarHBondContact O-CB 3.27Å; E138-S142 PolarHBondContact O-N 3.41Å; E138-S142 PolarHBondContact O-OG 3.05Å |
| 139 | L | 93.2 | Very high | 90 | Very high | 14 Ų | 14 | 64.4 Ų | 64.4 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.2 | -40.3 | 176.4 | -176.4 | 63 | 0 | 0 | 0 | 110.9 | L97 F100 L101 I104 M135 P136 E137 S142 L143 | L97-L139 HydrophobicContact CD2-CD2 3.54Å; F100-L139 HydrophobicContact CB-CD1 4.11Å; F100-L139 HydrophobicContact CB-CD2 4.1Å; F100-L139 HydrophobicContact CD2-CD2 4.13Å; F100-L139 HydrophobicContact CG-CD2 4.38Å; L101-L139 HydrophobicContact CD2-CD1 4.17Å; L101-L139 HydrophobicContact CG-CD1 4.46Å; I104-L139 HydrophobicContact CD1-CD1 3.53Å; M135-L139 HydrophobicContact CG-CB 4.28Å; M135-L139 HydrophobicContact CG-CD2 4.09Å; M135-L139 HydrophobicContact CG-CG 4.3Å; M135-L139 HydrophobicContact SD-CB 4.41Å; M135-L139 HydrophobicContact SD-CD2 4.1Å; M135-L139 HydrophobicContact SD-CG 3.99Å; P136-L139 HydrophobicContact CB-CB 4.4Å; P136-L139 WeakPolarHBondContact O-CA 3.35Å; P136-L139 WeakPolarHBondContact O-CB 3.36Å; P136-L139 PolarHBondContact O-N 3.48Å; E137-L139 VanDerWaalsContact C-N 3.29Å; E137-L139 PolarHBondContact O-N 3.36Å; L139-S142 PolarHBondContact O-N 2.95Å; L139-L143 HydrophobicContact CD1-CD1 4.37Å; L139-L143 HydrophobicContact CD1-CG 4.32Å; L139-L143 HydrophobicContact CG-CD1 4.08Å; L139-L143 HydrophobicContact CG-CG 4.46Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 3.16Å |
| 140 | Y | 93.2 | Very high | 90.4 | Very high | 74 Ų | 74 | 64.3 Ų | 64.3 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.2 | -51.8 | 174.2 | -179.5 | -81 | 0 | 0 | 0 | 110.7 | P136 E137 S142 L143 Q144 M169 | P136-Y140 PolarHBondContact O-N 2.82Å; E137-Y140 WeakPolarHBondContact O-CB 3.31Å; E137-Y140 PolarHBondContact O-N 3.39Å; Y140-S142 PolarHBondContact O-N 3.09Å; Y140-L143 PolarHBondContact O-N 2.92Å; Y140-Q144 WeakPolarHBondContact O-CB 3.26Å; Y140-Q144 PolarHBondContact O-N 3.24Å; Y140-M169 HydrophobicContact CD1-CE 4.07Å; Y140-M169 HydrophobicContact CD2-CE 3.56Å; Y140-M169 HydrophobicContact CE1-CE 3.96Å; Y140-M169 HydrophobicContact CE2-CE 3.47Å; Y140-M169 VanDerWaalsContact CE2-CE 3.47Å; Y140-M169 HydrophobicContact CE2-CG 4.34Å; Y140-M169 HydrophobicContact CG-CE 3.86Å; Y140-M169 WeakPolarHBondContact O-CE 3.33Å; Y140-M169 PolarHBondContact OH-O 2.93Å |
| 141 | R | 94.1 | Very high | 91.2 | Very high | 151 Ų | 151 | 63 Ų | 63 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 178.1 | -69.6 | -179.3 | -176.2 | -95 | -12 | 112.4 | E137 Q144 S145 | E137-R141 WeakPolarHBondContact O-CG 3.41Å; E137-R141 PolarHBondContact O-N 3.44Å; E137-R141 IonicContact OE1-CZ 3.54Å; E137-R141 IonicContact OE1-NE 3.53Å; E137-R141 PolarHBondContact OE1-NE 3.5Å; E137-R141 IonicContact OE1-NH2 3.91Å; E137-R141 PolarHBondContact OE1-NH2 3.2Å; R141-Q144 PolarHBondContact O-N 3.19Å; R141-S145 VanDerWaalsContact O-CB 3.3Å; R141-S145 WeakPolarHBondContact O-CB 3.35Å; R141-S145 PolarHBondContact O-N 2.88Å |
| 142 | S | 95.2 | Very high | 92.1 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 30% | 0.301 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 174.9 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | E138 L139 Y140 I146 | E138-S142 VanDerWaalsContact O-CB 3.25Å; E138-S142 WeakPolarHBondContact O-CB 3.27Å; E138-S142 PolarHBondContact O-N 3.41Å; E138-S142 PolarHBondContact O-OG 3.05Å; L139-S142 PolarHBondContact O-N 2.95Å; Y140-S142 PolarHBondContact O-N 3.09Å; S142-I146 WeakPolarHBondContact O-CB 3.3Å; S142-I146 WeakPolarHBondContact O-CD1 3.46Å; S142-I146 WeakPolarHBondContact O-CG1 3.31Å; S142-I146 PolarHBondContact O-N 3.03Å; S142-I146 VanDerWaalsContact O-N 3.12Å |
| 143 | L | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -47.2 | 177.4 | -72.4 | 171.3 | 0 | 0 | 0 | 111.3 | F100 I104 I122 M135 L139 Y140 S145 I146 L147 M169 | F100-L143 HydrophobicContact CB-CD1 4.49Å; F100-L143 HydrophobicContact CD1-CD1 3.65Å; F100-L143 HydrophobicContact CD1-CD2 4.03Å; F100-L143 HydrophobicContact CE1-CD1 3.94Å; F100-L143 HydrophobicContact CG-CD1 4.07Å; I104-L143 HydrophobicContact CD1-CD2 3.8Å; I104-L143 HydrophobicContact CD1-CG 4.14Å; I104-L143 HydrophobicContact CG1-CD2 3.82Å; I122-L143 HydrophobicContact CD1-CD2 3.88Å; I122-L143 HydrophobicContact CG1-CD2 4.16Å; I122-L143 HydrophobicContact CG2-CD2 4.1Å; M135-L143 HydrophobicContact CE-CD1 4.05Å; M135-L143 HydrophobicContact SD-CD1 3.66Å; L139-L143 HydrophobicContact CD1-CD1 4.37Å; L139-L143 HydrophobicContact CD1-CG 4.32Å; L139-L143 HydrophobicContact CG-CD1 4.08Å; L139-L143 HydrophobicContact CG-CG 4.46Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.33Å; L139-L143 PolarHBondContact O-N 3.16Å; Y140-L143 PolarHBondContact O-N 2.92Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3.11Å; L143-I146 PolarHBondContact O-N 3.48Å; L143-L147 WeakPolarHBondContact O-CB 3.44Å; L143-L147 VanDerWaalsContact O-CG 3.23Å; L143-L147 WeakPolarHBondContact O-CG 3.49Å; L143-L147 PolarHBondContact O-N 3.44Å; L143-M169 HydrophobicContact CB-CE 4.31Å |
| 144 | Q | 96.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 179.6 | -159.3 | -171.5 | 46.3 | 0 | 0 | 111 | Y140 R141 I146 L147 L148 L166 M169 V179 | Y140-Q144 WeakPolarHBondContact O-CB 3.26Å; Y140-Q144 PolarHBondContact O-N 3.24Å; R141-Q144 PolarHBondContact O-N 3.19Å; Q144-I146 PolarHBondContact O-N 2.92Å; Q144-L147 PolarHBondContact O-N 3.42Å; Q144-L148 HydrophobicContact CG-CD1 4.02Å; Q144-L148 VanDerWaalsContact O-CB 3.27Å; Q144-L148 WeakPolarHBondContact O-CB 3.26Å; Q144-L148 VanDerWaalsContact O-CG 3.24Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 2.95Å; Q144-L166 HydrophobicContact CG-CD2 4.36Å; Q144-M169 HydrophobicContact CB-CE 3.75Å; Q144-M169 HydrophobicContact CG-CE 4.25Å; Q144-V179 HydrophobicContact CG-CG2 4.01Å |
| 145 | S | 96.2 | Very high | 94.8 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | R141 L143 R149 | R141-S145 VanDerWaalsContact O-CB 3.3Å; R141-S145 WeakPolarHBondContact O-CB 3.35Å; R141-S145 PolarHBondContact O-N 2.88Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3.11Å; S145-R149 PolarHBondContact O-N 3.32Å; S145-R149 VanDerWaalsContact O-N 3.1Å |
| 146 | I | 96.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 176.8 | -76.3 | 164.6 | 0 | 0 | 0 | 111.2 | I104 N107 M119 S142 L143 Q144 R149 R150 | I104-I146 HydrophobicContact CB-CD1 4.11Å; I104-I146 HydrophobicContact CG1-CD1 3.82Å; I104-I146 HydrophobicContact CG2-CD1 3.71Å; N107-I146 HydrophobicContact CB-CG2 4Å; M119-I146 HydrophobicContact CE-CG2 4.26Å; S142-I146 WeakPolarHBondContact O-CB 3.3Å; S142-I146 WeakPolarHBondContact O-CD1 3.46Å; S142-I146 WeakPolarHBondContact O-CG1 3.31Å; S142-I146 PolarHBondContact O-N 3.03Å; S142-I146 VanDerWaalsContact O-N 3.12Å; L143-I146 PolarHBondContact O-N 3.48Å; Q144-I146 PolarHBondContact O-N 2.92Å; I146-R149 WeakPolarHBondContact O-CB 3.44Å; I146-R149 PolarHBondContact O-N 2.92Å; I146-R150 HydrophobicContact CG2-CG 4.31Å; I146-R150 WeakPolarHBondContact O-CB 3.35Å; I146-R150 WeakPolarHBondContact O-CG 2.98Å; I146-R150 PolarHBondContact O-N 2.92Å |
| 147 | L | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -42.1 | -180 | -67.6 | 172.3 | 0 | 0 | 0 | 111.6 | M119 I122 L126 L143 Q144 R149 R150 V151 A162 A165 L166 M169 | M119-L147 HydrophobicContact SD-CD2 3.63Å; I122-L147 HydrophobicContact CG2-CD1 4.12Å; I122-L147 HydrophobicContact CG2-CD2 4.18Å; L126-L147 HydrophobicContact CD1-CD1 4.28Å; L143-L147 WeakPolarHBondContact O-CB 3.44Å; L143-L147 VanDerWaalsContact O-CG 3.23Å; L143-L147 WeakPolarHBondContact O-CG 3.49Å; L143-L147 PolarHBondContact O-N 3.44Å; Q144-L147 PolarHBondContact O-N 3.42Å; L147-R149 PolarHBondContact O-N 3.46Å; L147-R150 CarbonylContact O-C 3.48Å; L147-R150 PolarHBondContact O-N 3.42Å; L147-V151 PolarHBondContact O-N 2.96Å; L147-A162 HydrophobicContact CD2-CB 4.32Å; L147-A165 HydrophobicContact CD1-CB 3.66Å; L147-A165 HydrophobicContact CD2-CB 3.63Å; L147-A165 HydrophobicContact CG-CB 4.29Å; L147-L166 HydrophobicContact CB-CD1 4.14Å; L147-L166 HydrophobicContact CB-CD2 3.6Å; L147-L166 HydrophobicContact CB-CG 3.65Å; L147-L166 HydrophobicContact CD1-CD2 3.97Å; L147-L166 HydrophobicContact CD1-CG 4.24Å; L147-L166 HydrophobicContact CG-CD2 4.46Å; L147-M169 HydrophobicContact CD1-SD 3.69Å |
| 148 | L | 97.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -30.4 | 172.4 | -75.6 | 168.9 | 0 | 0 | 0 | 112.5 | Q144 V151 Y152 L166 P178 V179 A182 | Q144-L148 HydrophobicContact CG-CD1 4.02Å; Q144-L148 VanDerWaalsContact O-CB 3.27Å; Q144-L148 WeakPolarHBondContact O-CB 3.26Å; Q144-L148 VanDerWaalsContact O-CG 3.24Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 2.95Å; L148-V151 WeakPolarHBondContact O-CG2 3.24Å; L148-Y152 VanDerWaalsContact O-CD2 3.22Å; L148-Y152 WeakPolarHBondContact O-CD2 3.42Å; L148-Y152 WeakPolarHBondContact O-CE2 3.18Å; L148-L166 HydrophobicContact CD2-CD1 3.97Å; L148-L166 HydrophobicContact CG-CD1 4.28Å; L148-P178 HydrophobicContact CD1-CB 4.04Å; L148-P178 HydrophobicContact CD1-CG 4.17Å; L148-V179 HydrophobicContact CD2-CG2 4.21Å; L148-A182 HydrophobicContact CD2-CB 3.78Å |
| 149 | R | 96.7 | Very high | 96.2 | Very high | 132 Ų | 132 | 50 Ų | 50 | 50% | 0.498 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -73.8 | -35.9 | 169.5 | -170.2 | -177.8 | -61.2 | 177.7 | 0 | 112.5 | E108 S145 I146 L147 Y152 | E108-R149 IonicContact OE1-CZ 2.7Å; E108-R149 IonicContact OE1-NH1 2.82Å; E108-R149 PolarHBondContact OE1-NH1 3.5Å; S145-R149 PolarHBondContact O-N 3.32Å; S145-R149 VanDerWaalsContact O-N 3.1Å; I146-R149 WeakPolarHBondContact O-CB 3.44Å; I146-R149 PolarHBondContact O-N 2.92Å; L147-R149 PolarHBondContact O-N 3.46Å; R149-Y152 PolarHBondContact O-N 2.82Å |
| 150 | R | 96.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 50 Ų | 50 | 11% | 0.106 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -84.4 | -17.6 | -173.8 | -67.3 | -76.2 | 159.6 | -125.6 | -16.9 | 114.2 | N107 E108 M119 I146 L147 Y152 D153 V158 A162 | N107-R150 PolarHBondContact O-NE 3.36Å; N107-R150 VanDerWaalsContact O-NE 3.13Å; N107-R150 PolarHBondContact O-NH2 3.09Å; N107-R150 PolarHBondContact OD1-NE 3.03Å; N107-R150 PolarHBondContact OD1-NH2 2.88Å; E108-R150 IonicContact OE1-NH2 3.6Å; M119-R150 HydrophobicContact CE-CG 4.13Å; M119-R150 HydrophobicContact CG-CB 4.35Å; M119-R150 HydrophobicContact SD-CB 3.57Å; M119-R150 VanDerWaalsContact SD-CB 3.57Å; M119-R150 HydrophobicContact SD-CG 3.64Å; I146-R150 HydrophobicContact CG2-CG 4.31Å; I146-R150 WeakPolarHBondContact O-CB 3.35Å; I146-R150 WeakPolarHBondContact O-CG 2.98Å; I146-R150 PolarHBondContact O-N 2.92Å; L147-R150 CarbonylContact O-C 3.48Å; L147-R150 PolarHBondContact O-N 3.42Å; R150-Y152 PolarHBondContact O-N 3.47Å; R150-D153 IonicContact CZ-OD2 3.6Å; R150-D153 IonicContact NH1-OD2 3.83Å; R150-D153 PolarHBondContact NH1-OD2 3.21Å; R150-D153 WeakPolarHBondContact O-CB 3.38Å; R150-D153 PolarHBondContact O-N 2.86Å; R150-D153 VanDerWaalsContact O-N 3.14Å; R150-V158 HydrophobicContact CB-CG1 4.38Å; R150-A162 HydrophobicContact CB-CB 3.83Å |
| 151 | V | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.9 | 165.8 | -61.3 | 0 | 0 | 0 | 0 | 114 | L147 L148 R159 A162 I163 L166 L186 | L147-V151 PolarHBondContact O-N 2.96Å; L148-V151 WeakPolarHBondContact O-CG2 3.24Å; V151-R159 WeakPolarHBondContact O-CD 3.47Å; V151-A162 HydrophobicContact CG1-CB 3.67Å; V151-I163 HydrophobicContact CB-CG1 4.29Å; V151-I163 HydrophobicContact CG1-CB 4.49Å; V151-I163 HydrophobicContact CG1-CG1 3.7Å; V151-L166 HydrophobicContact CG1-CD1 3.67Å; V151-L166 HydrophobicContact CG2-CD1 4.41Å; V151-L186 HydrophobicContact CB-CD1 3.71Å; V151-L186 HydrophobicContact CG1-CD1 4.42Å; V151-L186 HydrophobicContact CG2-CD1 3.85Å; V151-L186 WeakPolarHBondContact O-CD2 2.91Å |
| 152 | Y | 96.8 | Very high | 96.8 | Very high | 110 Ų | 110 | 39.5 Ų | 39.5 | 43% | 0.431 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 17.5 | 169.3 | -58.6 | -77.2 | 0 | 0 | 0 | 113 | L148 R149 R150 W185 L186 | L148-Y152 VanDerWaalsContact O-CD2 3.22Å; L148-Y152 WeakPolarHBondContact O-CD2 3.42Å; L148-Y152 WeakPolarHBondContact O-CE2 3.18Å; R149-Y152 PolarHBondContact O-N 2.82Å; R150-Y152 PolarHBondContact O-N 3.47Å; Y152-W185 HydrophobicContact CD1-CZ3 4.23Å; Y152-W185 HydrophobicContact CE1-CD2 4.21Å; Y152-W185 AromaticContact CE1-CE3 3.63Å; Y152-W185 HydrophobicContact CE1-CE3 3.63Å; Y152-W185 HydrophobicContact CE1-CH2 4.37Å; Y152-W185 AromaticContact CE1-CZ3 3.73Å; Y152-W185 HydrophobicContact CE1-CZ3 3.73Å; Y152-L186 HydrophobicContact CD1-CD2 4.32Å; Y152-L186 HydrophobicContact CE1-CD2 4.06Å |
| 153 | D | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | trans | -67.4 | 147.4 | -176.4 | -164.5 | -72.8 | 0 | 0 | 0 | 113.7 | R115 R150 K155 V158 R159 | R115-D153 IonicContact CZ-OD2 2.64Å; R115-D153 IonicContact NH1-OD1 3.83Å; R115-D153 PolarHBondContact NH1-OD1 3.08Å; R115-D153 IonicContact NH1-OD2 2.73Å; R115-D153 PolarHBondContact NH1-OD2 3.49Å; R150-D153 IonicContact CZ-OD2 3.6Å; R150-D153 IonicContact NH1-OD2 3.83Å; R150-D153 PolarHBondContact NH1-OD2 3.21Å; R150-D153 WeakPolarHBondContact O-CB 3.38Å; R150-D153 PolarHBondContact O-N 2.86Å; R150-D153 VanDerWaalsContact O-N 3.14Å; D153-K155 PolarHBondContact O-N 3.37Å; D153-K155 VanDerWaalsContact O-N 3.1Å; D153-K155 PolarHBondContact OD1-N 2.88Å; D153-V158 HydrophobicContact CB-CB 3.85Å; D153-V158 HydrophobicContact CB-CG1 3.69Å; D153-R159 HydrophobicContact CB-CG 4.18Å; D153-R159 WeakPolarHBondContact O-CD 3.48Å; D153-R159 WeakPolarHBondContact O-CG 3.41Å; D153-R159 PolarHBondContact O-NH1 3.49Å | ||
| 154 | T | 95.6 | Very high | 96.9 | Very high | 117 Ų | 117 | 40.8 Ų | 40.8 | 72% | 0.718 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -63.3 | -15.9 | -178.7 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 155 | K | 95.5 | Very high | 96.9 | Very high | 108 Ų | 108 | 39.1 Ų | 39.1 | 47% | 0.47 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -108.5 | 124.7 | 171.8 | -65.4 | -53.3 | -173 | -176.5 | 0 | 112.3 | P112 D153 S157 V158 R159 | P112-K155 HydrophobicContact CB-CB 4.35Å; P112-K155 HydrophobicContact CB-CG 3.55Å; P112-K155 HydrophobicContact CG-CG 3.99Å; D153-K155 PolarHBondContact O-N 3.37Å; D153-K155 VanDerWaalsContact O-N 3.1Å; D153-K155 PolarHBondContact OD1-N 2.88Å; K155-S157 VanDerWaalsContact C-N 3.29Å; K155-S157 PolarHBondContact O-N 3.3Å; K155-V158 HydrophobicContact CB-CG2 3.94Å; K155-V158 WeakPolarHBondContact O-CB 3.27Å; K155-V158 PolarHBondContact O-N 3.3Å; K155-R159 PolarHBondContact O-N 2.98Å |
| 156 | V | 97 | Very high | 96.9 | Very high | 42 Ų | 42 | 36 Ų | 36 | 26% | 0.255 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -46 | -48.3 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 112.7 | V158 R159 V160 T192 V195 | V156-V158 VanDerWaalsContact C-N 3.25Å; V156-V158 PolarHBondContact O-N 3.17Å; V156-R159 WeakPolarHBondContact O-CB 3.18Å; V156-R159 PolarHBondContact O-N 2.75Å; V156-V160 HydrophobicContact CG1-CG2 4.31Å; V156-V160 WeakPolarHBondContact O-CG2 3.38Å; V156-V160 PolarHBondContact O-N 3.26Å; V156-T192 HydrophobicContact CB-CG2 4.48Å; V156-T192 HydrophobicContact CG1-CG2 3.84Å; V156-T192 HydrophobicContact CG2-CG2 3.76Å; V156-V195 HydrophobicContact CG1-CG2 3.88Å |
| 157 | S | 95.7 | Very high | 96.8 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.1 | -28.5 | -179.3 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | F116 K155 E161 | F116-S157 WeakPolarHBondContact CD2-O 3.46Å; K155-S157 VanDerWaalsContact C-N 3.29Å; K155-S157 PolarHBondContact O-N 3.3Å; S157-E161 PolarHBondContact O-N 2.81Å |
| 158 | V | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.9 | -43.1 | 173 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | R115 F116 M119 R150 D153 K155 V156 V160 A162 | R115-V158 HydrophobicContact CB-CG1 4.27Å; R115-V158 HydrophobicContact CB-CG2 4.21Å; F116-V158 HydrophobicContact CB-CG2 3.9Å; M119-V158 HydrophobicContact CG-CG1 3.79Å; R150-V158 HydrophobicContact CB-CG1 4.38Å; D153-V158 HydrophobicContact CB-CB 3.85Å; D153-V158 HydrophobicContact CB-CG1 3.69Å; K155-V158 HydrophobicContact CB-CG2 3.94Å; K155-V158 WeakPolarHBondContact O-CB 3.27Å; K155-V158 PolarHBondContact O-N 3.3Å; V156-V158 VanDerWaalsContact C-N 3.25Å; V156-V158 PolarHBondContact O-N 3.17Å; V158-V160 PolarHBondContact O-N 3.45Å; V158-A162 VanDerWaalsContact O-CB 3.26Å; V158-A162 WeakPolarHBondContact O-CB 3.04Å; V158-A162 PolarHBondContact O-N 3.44Å |
| 159 | R | 97.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 177 | -55.9 | -154.9 | -64.8 | -83.9 | 10.1 | 111.8 | V151 D153 K155 V156 A162 I163 D190 T192 V195 | V151-R159 WeakPolarHBondContact O-CD 3.47Å; D153-R159 HydrophobicContact CB-CG 4.18Å; D153-R159 WeakPolarHBondContact O-CD 3.48Å; D153-R159 WeakPolarHBondContact O-CG 3.41Å; D153-R159 PolarHBondContact O-NH1 3.49Å; K155-R159 PolarHBondContact O-N 2.98Å; V156-R159 WeakPolarHBondContact O-CB 3.18Å; V156-R159 PolarHBondContact O-N 2.75Å; R159-A162 PolarHBondContact O-N 2.8Å; R159-I163 VanDerWaalsContact O-CG1 3.29Å; R159-I163 WeakPolarHBondContact O-CG1 3.44Å; R159-I163 PolarHBondContact O-N 3.21Å; R159-D190 IonicContact CZ-OD1 3.2Å; R159-D190 IonicContact CZ-OD2 3.92Å; R159-D190 VanDerWaalsContact CZ-OD2 3.23Å; R159-D190 IonicContact NE-OD1 3.75Å; R159-D190 IonicContact NE-OD2 3.35Å; R159-D190 PolarHBondContact NE-OD2 3.26Å; R159-D190 VanDerWaalsContact NH2-CG 3.32Å; R159-D190 IonicContact NH2-OD1 2.71Å; R159-D190 PolarHBondContact NH2-OD1 2.87Å; R159-D190 IonicContact NH2-OD2 4Å; R159-D190 PolarHBondContact NH2-OD2 2.99Å; R159-T192 PolarHBondContact NH2-OG1 2.77Å; R159-T192 VanDerWaalsContact NH2-OG1 3.07Å; R159-V195 HydrophobicContact CB-CG1 4.08Å; R159-V195 HydrophobicContact CB-CG2 4.22Å |
| 160 | V | 97.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.085 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -50 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 112 | V156 V158 A162 I163 Q164 E194 V195 A198 | V156-V160 HydrophobicContact CG1-CG2 4.31Å; V156-V160 WeakPolarHBondContact O-CG2 3.38Å; V156-V160 PolarHBondContact O-N 3.26Å; V158-V160 PolarHBondContact O-N 3.45Å; V160-A162 VanDerWaalsContact C-N 3.31Å; V160-A162 PolarHBondContact O-N 3.15Å; V160-I163 PolarHBondContact O-N 2.91Å; V160-Q164 WeakPolarHBondContact O-CG 3.46Å; V160-Q164 PolarHBondContact O-N 3.32Å; V160-E194 HydrophobicContact CG2-CG 4.03Å; V160-V195 HydrophobicContact CG2-CG2 4.15Å; V160-A198 HydrophobicContact CG1-CB 4.21Å; V160-A198 HydrophobicContact CG2-CB 4.37Å |
| 161 | E | 96.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67 | -32.7 | 177.9 | -65.9 | -73.2 | 165.5 | 0 | 0 | 112.1 | R62 F116 M119 Q120 H123 S157 Q164 A165 | R62-E161 IonicContact CZ-OE1 3.14Å; R62-E161 IonicContact NH1-OE1 3.8Å; R62-E161 IonicContact NH2-OE1 2.78Å; R62-E161 PolarHBondContact NH2-OE1 3.41Å; F116-E161 HydrophobicContact CD2-CG 3.81Å; F116-E161 HydrophobicContact CE2-CG 3.51Å; M119-E161 HydrophobicContact CB-CB 3.73Å; Q120-E161 WeakPolarHBondContact CA-OE2 3.25Å; Q120-E161 HydrophobicContact CB-CG 4.14Å; Q120-E161 WeakPolarHBondContact CG-OE2 3.38Å; H123-E161 IonicContact CE1-OE2 3.68Å; H123-E161 IonicContact CG-OE2 3.21Å; H123-E161 IonicContact ND1-OE2 2.68Å; H123-E161 PolarHBondContact ND1-OE2 2.82Å; S157-E161 PolarHBondContact O-N 2.81Å; E161-Q164 PolarHBondContact O-N 3.06Å; E161-A165 WeakPolarHBondContact O-CB 3.28Å; E161-A165 PolarHBondContact O-N 2.83Å |
| 162 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -37.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M119 L147 R150 V151 V158 R159 V160 L166 | M119-A162 HydrophobicContact CG-CB 4.25Å; M119-A162 HydrophobicContact SD-CB 4.16Å; L147-A162 HydrophobicContact CD2-CB 4.32Å; R150-A162 HydrophobicContact CB-CB 3.83Å; V151-A162 HydrophobicContact CG1-CB 3.67Å; V158-A162 VanDerWaalsContact O-CB 3.26Å; V158-A162 WeakPolarHBondContact O-CB 3.04Å; V158-A162 PolarHBondContact O-N 3.44Å; R159-A162 PolarHBondContact O-N 2.8Å; V160-A162 VanDerWaalsContact C-N 3.31Å; V160-A162 PolarHBondContact O-N 3.15Å; A162-L166 WeakPolarHBondContact O-CB 3.49Å; A162-L166 WeakPolarHBondContact O-CG 3.23Å; A162-L166 PolarHBondContact O-N 3.28Å |
| 163 | I | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 170.6 | -73.6 | 162.8 | 0 | 0 | 0 | 110.4 | V151 R159 V160 A165 L166 S167 F183 L186 V195 A198 A199 A202 | V151-I163 HydrophobicContact CB-CG1 4.29Å; V151-I163 HydrophobicContact CG1-CB 4.49Å; V151-I163 HydrophobicContact CG1-CG1 3.7Å; R159-I163 VanDerWaalsContact O-CG1 3.29Å; R159-I163 WeakPolarHBondContact O-CG1 3.44Å; R159-I163 PolarHBondContact O-N 3.21Å; V160-I163 PolarHBondContact O-N 2.91Å; I163-A165 PolarHBondContact O-N 3.27Å; I163-L166 PolarHBondContact O-N 3.33Å; I163-S167 PolarHBondContact O-N 3.23Å; I163-F183 HydrophobicContact CB-CE1 4.23Å; I163-F183 HydrophobicContact CG1-CE1 4.13Å; I163-F183 HydrophobicContact CG2-CE1 3.92Å; I163-F183 HydrophobicContact CG2-CZ 4Å; I163-F183 WeakPolarHBondContact O-CZ 3.49Å; I163-L186 HydrophobicContact CD1-CD1 4.22Å; I163-L186 HydrophobicContact CG1-CD1 4.18Å; I163-V195 HydrophobicContact CD1-CG1 3.48Å; I163-V195 VanDerWaalsContact CD1-CG1 3.48Å; I163-A198 HydrophobicContact CD1-CB 4.27Å; I163-A198 HydrophobicContact CG2-CB 4.22Å; I163-A199 HydrophobicContact CD1-CB 4.09Å; I163-A202 HydrophobicContact CG2-CB 3.69Å |
| 164 | Q | 96.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.4 | -43.2 | -180 | -69 | 176.9 | -60.6 | 0 | 0 | 111.6 | H123 V160 E161 L166 S167 | H123-Q164 VanDerWaalsContact CE1-CB 3.45Å; H123-Q164 WeakPolarHBondContact CE1-CB 3.48Å; H123-Q164 VanDerWaalsContact CE1-CD 3.5Å; H123-Q164 PolarHBondContact CE1-OE1 2.94Å; V160-Q164 WeakPolarHBondContact O-CG 3.46Å; V160-Q164 PolarHBondContact O-N 3.32Å; E161-Q164 PolarHBondContact O-N 3.06Å; Q164-L166 PolarHBondContact O-N 3.22Å; Q164-S167 VanDerWaalsContact O-CB 3.31Å; Q164-S167 WeakPolarHBondContact O-CB 3.33Å; Q164-S167 PolarHBondContact O-N 2.96Å; Q164-S167 PolarHBondContact O-OG 3.47Å |
| 165 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I122 H123 L126 L147 E161 I163 S167 | I122-A165 HydrophobicContact CG2-CB 4.2Å; H123-A165 HydrophobicContact CB-CB 3.92Å; L126-A165 HydrophobicContact CD1-CB 4.11Å; L126-A165 WeakPolarHBondContact CD1-O 3.47Å; L147-A165 HydrophobicContact CD1-CB 3.66Å; L147-A165 HydrophobicContact CD2-CB 3.63Å; L147-A165 HydrophobicContact CG-CB 4.29Å; E161-A165 WeakPolarHBondContact O-CB 3.28Å; E161-A165 PolarHBondContact O-N 2.83Å; I163-A165 PolarHBondContact O-N 3.27Å; A165-S167 VanDerWaalsContact C-N 3.25Å; A165-S167 PolarHBondContact O-N 3.23Å |
| 166 | L | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.8 | -18.3 | 178 | -80.9 | 180 | 0 | 0 | 0 | 114.3 | Q144 L147 L148 V151 A162 I163 Q164 R168 M169 V179 F183 | Q144-L166 HydrophobicContact CG-CD2 4.36Å; L147-L166 HydrophobicContact CB-CD1 4.14Å; L147-L166 HydrophobicContact CB-CD2 3.6Å; L147-L166 HydrophobicContact CB-CG 3.65Å; L147-L166 HydrophobicContact CD1-CD2 3.97Å; L147-L166 HydrophobicContact CD1-CG 4.24Å; L147-L166 HydrophobicContact CG-CD2 4.46Å; L148-L166 HydrophobicContact CD2-CD1 3.97Å; L148-L166 HydrophobicContact CG-CD1 4.28Å; V151-L166 HydrophobicContact CG1-CD1 3.67Å; V151-L166 HydrophobicContact CG2-CD1 4.41Å; A162-L166 WeakPolarHBondContact O-CB 3.49Å; A162-L166 WeakPolarHBondContact O-CG 3.23Å; A162-L166 PolarHBondContact O-N 3.28Å; I163-L166 PolarHBondContact O-N 3.33Å; Q164-L166 PolarHBondContact O-N 3.22Å; L166-R168 PolarHBondContact O-N 3.43Å; L166-R168 VanDerWaalsContact O-N 3.16Å; L166-M169 HydrophobicContact CD2-CB 4.19Å; L166-M169 HydrophobicContact CD2-SD 4.28Å; L166-M169 WeakPolarHBondContact O-CA 3.44Å; L166-M169 PolarHBondContact O-N 3.25Å; L166-V179 HydrophobicContact CB-CG1 3.77Å; L166-V179 HydrophobicContact CD1-CG1 4.2Å; L166-V179 HydrophobicContact CD2-CG1 4.13Å; L166-V179 HydrophobicContact CD2-CG2 3.9Å; L166-V179 HydrophobicContact CG-CG1 4.23Å; L166-F183 HydrophobicContact CB-CE1 3.86Å; L166-F183 HydrophobicContact CB-CZ 3.6Å; L166-F183 HydrophobicContact CD1-CE1 4.2Å |
| 167 | S | 94.4 | Very high | 94 | Very high | 38 Ų | 38 | 42 Ų | 42 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55 | -36.9 | -178.7 | 71.1 | 0 | 0 | 0 | 0 | 112.5 | I163 Q164 A165 M169 Q170 | I163-S167 PolarHBondContact O-N 3.23Å; Q164-S167 VanDerWaalsContact O-CB 3.31Å; Q164-S167 WeakPolarHBondContact O-CB 3.33Å; Q164-S167 PolarHBondContact O-N 2.96Å; Q164-S167 PolarHBondContact O-OG 3.47Å; A165-S167 VanDerWaalsContact C-N 3.25Å; A165-S167 PolarHBondContact O-N 3.23Å; S167-M169 VanDerWaalsContact C-N 3.34Å; S167-Q170 PolarHBondContact O-NE2 3.34Å |
| 168 | R | 90.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 42.6 Ų | 42.6 | 32% | 0.317 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 4.5 | 176.8 | -52 | -157.7 | 74.2 | -125.4 | -6.5 | 114.6 | L126 D127 G130 D131 L166 | L126-R168 PolarHBondContact O-NH1 3.41Å; D127-R168 WeakPolarHBondContact OD1-CD 3.47Å; G130-R168 PolarHBondContact O-NH1 3.1Å; G130-R168 PolarHBondContact O-NH2 3.31Å; D131-R168 VanDerWaalsContact CA-NH2 3.33Å; D131-R168 IonicContact OD1-CZ 2.71Å; D131-R168 IonicContact OD1-NH2 3.56Å; D131-R168 PolarHBondContact OD1-NH2 2.77Å; L166-R168 PolarHBondContact O-N 3.43Å; L166-R168 VanDerWaalsContact O-N 3.16Å |
| 169 | M | 92.7 | Very high | 94 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 16.8 | -177.7 | -54.4 | -172 | 79.3 | 0 | 0 | 112.9 | L126 Y140 L143 Q144 L147 L166 S167 V179 | L126-M169 HydrophobicContact CD1-CG 4.41Å; L126-M169 HydrophobicContact CD1-SD 3.98Å; Y140-M169 HydrophobicContact CD1-CE 4.07Å; Y140-M169 HydrophobicContact CD2-CE 3.56Å; Y140-M169 HydrophobicContact CE1-CE 3.96Å; Y140-M169 HydrophobicContact CE2-CE 3.47Å; Y140-M169 VanDerWaalsContact CE2-CE 3.47Å; Y140-M169 HydrophobicContact CE2-CG 4.34Å; Y140-M169 HydrophobicContact CG-CE 3.86Å; Y140-M169 WeakPolarHBondContact O-CE 3.33Å; Y140-M169 PolarHBondContact OH-O 2.93Å; L143-M169 HydrophobicContact CB-CE 4.31Å; Q144-M169 HydrophobicContact CB-CE 3.75Å; Q144-M169 HydrophobicContact CG-CE 4.25Å; L147-M169 HydrophobicContact CD1-SD 3.69Å; L166-M169 HydrophobicContact CD2-CB 4.19Å; L166-M169 HydrophobicContact CD2-SD 4.28Å; L166-M169 WeakPolarHBondContact O-CA 3.44Å; L166-M169 PolarHBondContact O-N 3.25Å; S167-M169 VanDerWaalsContact C-N 3.34Å; M169-V179 WeakPolarHBondContact O-CG2 3.48Å |
| 170 | Q | 93.7 | Very high | 94 | Very high | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | trans | -81.6 | 137.8 | 171.2 | -70.4 | 168.9 | 98 | 0 | 0 | 110.7 | S167 V179 V180 F183 A202 V204 | S167-Q170 PolarHBondContact O-NE2 3.34Å; Q170-V179 HydrophobicContact CG-CB 4.16Å; Q170-V179 HydrophobicContact CG-CG1 3.55Å; Q170-V180 HydrophobicContact CB-CG2 4.25Å; Q170-V180 HydrophobicContact CG-CG2 4.23Å; Q170-F183 HydrophobicContact CG-CD2 4.32Å; Q170-F183 HydrophobicContact CG-CE2 4.01Å; Q170-A202 PolarHBondContact NE2-O 3.15Å; Q170-V204 HydrophobicContact CB-CG2 4.36Å | ||
| 171 | D | 91.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | trans | -107.6 | 112.8 | 160 | -169.8 | -32.7 | 0 | 0 | 0 | 107.9 | T173 D174 C177 | D171-T173 PolarHBondContact OD1-N 3.17Å; D171-T173 PolarHBondContact OD1-OG1 3.47Å; D171-D174 HydrophobicContact CB-CB 4.05Å; D171-D174 PolarHBondContact OD1-N 2.66Å; D171-C177 HydrophobicContact CB-CB 4.44Å; D171-C177 PolarHBondContact N-SG 3.33Å; D171-C177 WeakPolarHBondContact O-CB 3.5Å; D171-C177 PolarHBondContact O-SG 2.93Å; D171-C177 VanDerWaalsContact O-SG 3.39Å | ||
| 172 | P | 86.6 | Confident | 93.9 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -88.2 | -3.7 | 178.5 | 35.9 | -35.4 | 0 | 0 | 0 | 113.8 | V204 T206 | P172-V204 HydrophobicContact CB-CB 4.24Å; P172-V204 HydrophobicContact CB-CG1 3.76Å; P172-V204 HydrophobicContact CG-CG1 4.19Å; P172-T206 HydrophobicContact CB-CG2 3.94Å |
| 173 | T | 90.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 45.1 Ų | 45.1 | 79% | 0.785 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -95.3 | -26.1 | 173.9 | 64.4 | 0 | 0 | 0 | 0 | 112 | D171 A175 | D171-T173 PolarHBondContact OD1-N 3.17Å; D171-T173 PolarHBondContact OD1-OG1 3.47Å; T173-A175 PolarHBondContact O-N 2.97Å |
| 174 | D | 93 | Very high | 93.8 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | trans | -72.7 | 118 | 166.7 | 176.3 | 18.1 | 0 | 0 | 0 | 111.8 | D171 E176 C177 | D171-D174 HydrophobicContact CB-CB 4.05Å; D171-D174 PolarHBondContact OD1-N 2.66Å; D174-E176 VanDerWaalsContact C-N 3.29Å; D174-E176 PolarHBondContact O-N 3.22Å; D174-E176 PolarHBondContact OD1-N 2.96Å; D174-C177 HydrophobicContact CB-CB 4.09Å; D174-C177 WeakPolarHBondContact O-CB 3.46Å; D174-C177 PolarHBondContact O-N 2.88Å; D174-C177 VanDerWaalsContact OD2-CA 3.27Å; D174-C177 WeakPolarHBondContact OD2-CA 3.13Å; D174-C177 PolarHBondContact OD2-N 2.77Å | ||
| 175 | A | 87.2 | Confident | 93.8 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T173 R208 | T173-A175 PolarHBondContact O-N 2.97Å; A175-R208 PolarHBondContact O-NE 3.18Å |
| 176 | E | 90.7 | Very high | 93.9 | Very high | 170 Ų | 170 | 47.1 Ų | 47.1 | 79% | 0.794 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 10.2 | 179.5 | -60.8 | -164.8 | 159.9 | 0 | 0 | 112.7 | D174 P178 | D174-E176 VanDerWaalsContact C-N 3.29Å; D174-E176 PolarHBondContact O-N 3.22Å; D174-E176 PolarHBondContact OD1-N 2.96Å; E176-P178 WeakPolarHBondContact O-CD 3.35Å |
| 177 | C | 94.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | trans | -54 | 114.8 | -172.6 | -176 | 0 | 0 | 0 | 0 | 112.1 | D171 D174 V179 V180 E181 | D171-C177 HydrophobicContact CB-CB 4.44Å; D171-C177 PolarHBondContact N-SG 3.33Å; D171-C177 WeakPolarHBondContact O-CB 3.5Å; D171-C177 PolarHBondContact O-SG 2.93Å; D171-C177 VanDerWaalsContact O-SG 3.39Å; D174-C177 HydrophobicContact CB-CB 4.09Å; D174-C177 WeakPolarHBondContact O-CB 3.46Å; D174-C177 PolarHBondContact O-N 2.88Å; D174-C177 VanDerWaalsContact OD2-CA 3.27Å; D174-C177 WeakPolarHBondContact OD2-CA 3.13Å; D174-C177 PolarHBondContact OD2-N 2.77Å; C177-V179 PolarHBondContact O-N 3.12Å; C177-V179 VanDerWaalsContact O-N 3.12Å; C177-V180 HydrophobicContact CB-CB 4.17Å; C177-V180 HydrophobicContact CB-CG2 3.96Å; C177-V180 PolarHBondContact O-N 2.97Å; C177-V180 VanDerWaalsContact O-N 3.11Å; C177-E181 PolarHBondContact O-N 3.26Å | ||
| 178 | P | 96.2 | Very high | 94 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68 | -21.4 | -170.4 | 26.2 | -35.4 | 0 | 0 | 0 | 112.9 | L148 E176 A182 | L148-P178 HydrophobicContact CD1-CB 4.04Å; L148-P178 HydrophobicContact CD1-CG 4.17Å; E176-P178 WeakPolarHBondContact O-CD 3.35Å; P178-A182 VanDerWaalsContact O-CB 3.27Å; P178-A182 WeakPolarHBondContact O-CB 3.35Å; P178-A182 PolarHBondContact O-N 2.95Å |
| 179 | V | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.1 | -42.4 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | Q144 L148 L166 M169 Q170 C177 E181 A182 F183 | Q144-V179 HydrophobicContact CG-CG2 4.01Å; L148-V179 HydrophobicContact CD2-CG2 4.21Å; L166-V179 HydrophobicContact CB-CG1 3.77Å; L166-V179 HydrophobicContact CD1-CG1 4.2Å; L166-V179 HydrophobicContact CD2-CG1 4.13Å; L166-V179 HydrophobicContact CD2-CG2 3.9Å; L166-V179 HydrophobicContact CG-CG1 4.23Å; M169-V179 WeakPolarHBondContact O-CG2 3.48Å; Q170-V179 HydrophobicContact CG-CB 4.16Å; Q170-V179 HydrophobicContact CG-CG1 3.55Å; C177-V179 PolarHBondContact O-N 3.12Å; C177-V179 VanDerWaalsContact O-N 3.12Å; V179-E181 VanDerWaalsContact C-N 3.34Å; V179-A182 PolarHBondContact O-N 3.16Å; V179-F183 HydrophobicContact CG1-CE1 4.24Å; V179-F183 HydrophobicContact CG1-CE2 4.18Å; V179-F183 HydrophobicContact CG1-CZ 4.02Å; V179-F183 WeakPolarHBondContact O-CG 3Å; V179-F183 PolarHBondContact O-N 3.31Å |
| 180 | V | 96.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | Q170 C177 F183 I184 T209 | Q170-V180 HydrophobicContact CB-CG2 4.25Å; Q170-V180 HydrophobicContact CG-CG2 4.23Å; C177-V180 HydrophobicContact CB-CB 4.17Å; C177-V180 HydrophobicContact CB-CG2 3.96Å; C177-V180 PolarHBondContact O-N 2.97Å; C177-V180 VanDerWaalsContact O-N 3.11Å; V180-F183 PolarHBondContact O-N 3Å; V180-I184 HydrophobicContact CG1-CD1 4.15Å; V180-I184 WeakPolarHBondContact O-CG1 3.21Å; V180-I184 PolarHBondContact O-N 3.26Å; V180-T209 HydrophobicContact CG1-CG2 3.5Å; V180-T209 VanDerWaalsContact CG1-CG2 3.5Å |
| 181 | E | 95.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 176.2 | -166 | 55.6 | -144.8 | 0 | 0 | 112.6 | C177 V179 F183 I184 W185 R208 | C177-E181 PolarHBondContact O-N 3.26Å; V179-E181 VanDerWaalsContact C-N 3.34Å; E181-F183 VanDerWaalsContact C-N 3.3Å; E181-F183 PolarHBondContact O-N 2.94Å; E181-I184 PolarHBondContact O-N 3.49Å; E181-W185 WeakPolarHBondContact O-CB 3.46Å; E181-W185 PolarHBondContact O-N 2.95Å; E181-R208 IonicContact OE2-CZ 3.8Å; E181-R208 VanDerWaalsContact OE2-CZ 3.31Å; E181-R208 IonicContact OE2-NH1 2.74Å; E181-R208 PolarHBondContact OE2-NH1 3.4Å; E181-R208 IonicContact OE2-NH2 3.78Å; E181-R208 PolarHBondContact OE2-NH2 2.84Å |
| 182 | A | 97.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L148 P178 V179 W185 L186 | L148-A182 HydrophobicContact CD2-CB 3.78Å; P178-A182 VanDerWaalsContact O-CB 3.27Å; P178-A182 WeakPolarHBondContact O-CB 3.35Å; P178-A182 PolarHBondContact O-N 2.95Å; V179-A182 PolarHBondContact O-N 3.16Å; A182-W185 PolarHBondContact O-N 2.94Å; A182-L186 WeakPolarHBondContact O-CB 3.45Å; A182-L186 VanDerWaalsContact O-CD1 3.29Å; A182-L186 WeakPolarHBondContact O-CD1 3.49Å; A182-L186 WeakPolarHBondContact O-CG 3.48Å; A182-L186 PolarHBondContact O-N 3.49Å |
| 183 | F | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.9 | -72.9 | -0.7 | 0 | 0 | 0 | 113.2 | I163 L166 Q170 V179 V180 E181 L186 T187 A202 M203 | I163-F183 HydrophobicContact CB-CE1 4.23Å; I163-F183 HydrophobicContact CG1-CE1 4.13Å; I163-F183 HydrophobicContact CG2-CE1 3.92Å; I163-F183 HydrophobicContact CG2-CZ 4Å; I163-F183 WeakPolarHBondContact O-CZ 3.49Å; L166-F183 HydrophobicContact CB-CE1 3.86Å; L166-F183 HydrophobicContact CB-CZ 3.6Å; L166-F183 HydrophobicContact CD1-CE1 4.2Å; Q170-F183 HydrophobicContact CG-CD2 4.32Å; Q170-F183 HydrophobicContact CG-CE2 4.01Å; V179-F183 HydrophobicContact CG1-CE1 4.24Å; V179-F183 HydrophobicContact CG1-CE2 4.18Å; V179-F183 HydrophobicContact CG1-CZ 4.02Å; V179-F183 WeakPolarHBondContact O-CG 3Å; V179-F183 PolarHBondContact O-N 3.31Å; V180-F183 PolarHBondContact O-N 3Å; E181-F183 VanDerWaalsContact C-N 3.3Å; E181-F183 PolarHBondContact O-N 2.94Å; F183-L186 HydrophobicContact CD1-CD1 4.42Å; F183-T187 WeakPolarHBondContact O-CB 3.43Å; F183-T187 PolarHBondContact O-N 3.26Å; F183-T187 PolarHBondContact O-OG1 3.44Å; F183-A202 HydrophobicContact CD2-CB 4.35Å; F183-A202 HydrophobicContact CE2-CB 3.66Å; F183-A202 HydrophobicContact CZ-CB 3.97Å; F183-M203 HydrophobicContact CB-CB 4.31Å; F183-M203 HydrophobicContact CB-CG 4.32Å; F183-M203 HydrophobicContact CB-SD 4.24Å; F183-M203 HydrophobicContact CD2-CB 4.11Å |
| 184 | I | 96.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 170.6 | -72.1 | 168.6 | 0 | 0 | 0 | 109.9 | V180 E181 T187 R188 M203 R208 T209 | V180-I184 HydrophobicContact CG1-CD1 4.15Å; V180-I184 WeakPolarHBondContact O-CG1 3.21Å; V180-I184 PolarHBondContact O-N 3.26Å; E181-I184 PolarHBondContact O-N 3.49Å; I184-T187 PolarHBondContact O-N 3.38Å; I184-R188 WeakPolarHBondContact O-CB 3.27Å; I184-R188 PolarHBondContact O-N 3.1Å; I184-M203 HydrophobicContact CG1-SD 3.93Å; I184-R208 VanDerWaalsContact CD1-NH1 3.31Å; I184-T209 HydrophobicContact CD1-CG2 4.19Å; I184-T209 HydrophobicContact CG1-CG2 4.34Å |
| 185 | W | 96.9 | Very high | 96 | Very high | 105 Ų | 105 | 44.6 Ų | 44.6 | 40% | 0.398 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 179.8 | -168.8 | 103.6 | 0 | 0 | 0 | 111.7 | Y152 E181 A182 T187 R188 H189 | Y152-W185 HydrophobicContact CD1-CZ3 4.23Å; Y152-W185 HydrophobicContact CE1-CD2 4.21Å; Y152-W185 AromaticContact CE1-CE3 3.63Å; Y152-W185 HydrophobicContact CE1-CE3 3.63Å; Y152-W185 HydrophobicContact CE1-CH2 4.37Å; Y152-W185 AromaticContact CE1-CZ3 3.73Å; Y152-W185 HydrophobicContact CE1-CZ3 3.73Å; E181-W185 WeakPolarHBondContact O-CB 3.46Å; E181-W185 PolarHBondContact O-N 2.95Å; A182-W185 PolarHBondContact O-N 2.94Å; W185-T187 PolarHBondContact O-N 3.47Å; W185-R188 PolarHBondContact O-N 3.17Å; W185-H189 AromaticContact CD1-ND1 3.49Å; W185-H189 HydrophobicContact CD2-CB 3.94Å; W185-H189 AromaticContact CD2-ND1 3.68Å; W185-H189 AromaticContact CE2-ND1 3.58Å; W185-H189 HydrophobicContact CE3-CB 3.9Å; W185-H189 AromaticContact CG-ND1 3.62Å; W185-H189 HydrophobicContact CH2-CB 3.82Å; W185-H189 HydrophobicContact CZ2-CB 3.87Å; W185-H189 HydrophobicContact CZ3-CB 3.84Å; W185-H189 AromaticContact NE1-ND1 3.46Å; W185-H189 PolarHBondContact NE1-ND1 2.9Å; W185-H189 VanDerWaalsContact O-CB 3.27Å; W185-H189 WeakPolarHBondContact O-CB 3.47Å; W185-H189 PolarHBondContact O-N 2.9Å; W185-H189 PolarHBondContact O-ND1 3.09Å |
| 186 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | -178.6 | -70.8 | 160.8 | 0 | 0 | 0 | 111.5 | V151 Y152 I163 A182 F183 R188 H189 D190 V195 A199 | V151-L186 HydrophobicContact CB-CD1 3.71Å; V151-L186 HydrophobicContact CG1-CD1 4.42Å; V151-L186 HydrophobicContact CG2-CD1 3.85Å; V151-L186 WeakPolarHBondContact O-CD2 2.91Å; Y152-L186 HydrophobicContact CD1-CD2 4.32Å; Y152-L186 HydrophobicContact CE1-CD2 4.06Å; I163-L186 HydrophobicContact CD1-CD1 4.22Å; I163-L186 HydrophobicContact CG1-CD1 4.18Å; A182-L186 WeakPolarHBondContact O-CB 3.45Å; A182-L186 VanDerWaalsContact O-CD1 3.29Å; A182-L186 WeakPolarHBondContact O-CD1 3.49Å; A182-L186 WeakPolarHBondContact O-CG 3.48Å; A182-L186 PolarHBondContact O-N 3.49Å; F183-L186 HydrophobicContact CD1-CD1 4.42Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.3Å; L186-H189 PolarHBondContact O-N 3.44Å; L186-D190 HydrophobicContact CD2-CB 4.31Å; L186-D190 WeakPolarHBondContact O-CB 3.46Å; L186-D190 PolarHBondContact O-N 2.97Å; L186-V195 HydrophobicContact CD2-CG1 4.44Å; L186-A199 HydrophobicContact CB-CB 3.91Å |
| 187 | T | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 176 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | F183 I184 W185 R196 A199 L200 R216 | F183-T187 WeakPolarHBondContact O-CB 3.43Å; F183-T187 PolarHBondContact O-N 3.26Å; F183-T187 PolarHBondContact O-OG1 3.44Å; I184-T187 PolarHBondContact O-N 3.38Å; W185-T187 PolarHBondContact O-N 3.47Å; T187-R196 WeakPolarHBondContact O-CD 3.29Å; T187-A199 WeakPolarHBondContact OG1-CB 3.35Å; T187-L200 HydrophobicContact CG2-CB 4.2Å; T187-L200 HydrophobicContact CG2-CD1 3.83Å; T187-L200 PolarHBondContact OG1-N 3.28Å; T187-R216 HydrophobicContact CG2-CG 3.39Å; T187-R216 WeakPolarHBondContact O-CD 3.26Å; T187-R216 PolarHBondContact O-NE 3.46Å; T187-R216 PolarHBondContact O-NH1 2.98Å |
| 188 | R | 95.2 | Very high | 97.1 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -82.6 | -35.9 | 178.2 | -75.4 | 175.4 | 166.3 | 159.3 | -6.2 | 114.2 | I184 W185 L186 E215 | I184-R188 WeakPolarHBondContact O-CB 3.27Å; I184-R188 PolarHBondContact O-N 3.1Å; W185-R188 PolarHBondContact O-N 3.17Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.3Å; R188-E215 WeakPolarHBondContact CG-OE2 3.2Å; R188-E215 IonicContact CZ-OE1 3.81Å; R188-E215 IonicContact CZ-OE2 2.85Å; R188-E215 IonicContact NE-OE1 2.75Å; R188-E215 PolarHBondContact NE-OE1 3.34Å; R188-E215 IonicContact NE-OE2 3.57Å; R188-E215 PolarHBondContact NE-OE2 3.19Å; R188-E215 IonicContact NH2-OE1 3.18Å; R188-E215 PolarHBondContact NH2-OE1 2.65Å; R188-E215 IonicContact NH2-OE2 3.89Å |
| 189 | H | 95.7 | Very high | 97.2 | Very high | 61 Ų | 61 | 35.5 Ų | 35.5 | 28% | 0.282 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -126.7 | -12.5 | -159.1 | -55.9 | 133 | 0 | 0 | 0 | 116.7 | W185 L186 R1147 | W185-H189 AromaticContact CD1-ND1 3.49Å; W185-H189 HydrophobicContact CD2-CB 3.94Å; W185-H189 AromaticContact CD2-ND1 3.68Å; W185-H189 AromaticContact CE2-ND1 3.58Å; W185-H189 HydrophobicContact CE3-CB 3.9Å; W185-H189 AromaticContact CG-ND1 3.62Å; W185-H189 HydrophobicContact CH2-CB 3.82Å; W185-H189 HydrophobicContact CZ2-CB 3.87Å; W185-H189 HydrophobicContact CZ3-CB 3.84Å; W185-H189 AromaticContact NE1-ND1 3.46Å; W185-H189 PolarHBondContact NE1-ND1 2.9Å; W185-H189 VanDerWaalsContact O-CB 3.27Å; W185-H189 WeakPolarHBondContact O-CB 3.47Å; W185-H189 PolarHBondContact O-N 2.9Å; W185-H189 PolarHBondContact O-ND1 3.09Å; L186-H189 PolarHBondContact O-N 3.44Å; H189-R1147 PolarHBondContact CD2-NH1 3.12Å; H189-R1147 VanDerWaalsContact CD2-NH1 3.3Å; H189-R1147 PolarHBondContact CD2-NH2 3.41Å; H189-R1147 PolarHBondContact NE2-NH1 3.35Å; H189-R1147 PolarHBondContact NE2-NH2 3.27Å; H189-R1147 VanDerWaalsContact NE2-NH2 3.13Å |
| 190 | D | 97.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | trans | -67.9 | 127.6 | 176.3 | -167.4 | -65.7 | 0 | 0 | 0 | 109.8 | R159 L186 T192 V195 R196 | R159-D190 IonicContact CZ-OD1 3.2Å; R159-D190 IonicContact CZ-OD2 3.92Å; R159-D190 VanDerWaalsContact CZ-OD2 3.23Å; R159-D190 IonicContact NE-OD1 3.75Å; R159-D190 IonicContact NE-OD2 3.35Å; R159-D190 PolarHBondContact NE-OD2 3.26Å; R159-D190 VanDerWaalsContact NH2-CG 3.32Å; R159-D190 IonicContact NH2-OD1 2.71Å; R159-D190 PolarHBondContact NH2-OD1 2.87Å; R159-D190 IonicContact NH2-OD2 4Å; R159-D190 PolarHBondContact NH2-OD2 2.99Å; L186-D190 HydrophobicContact CD2-CB 4.31Å; L186-D190 WeakPolarHBondContact O-CB 3.46Å; L186-D190 PolarHBondContact O-N 2.97Å; D190-T192 PolarHBondContact O-N 3.18Å; D190-T192 VanDerWaalsContact O-N 3.16Å; D190-T192 WeakPolarHBondContact OD1-CA 3.48Å; D190-T192 VanDerWaalsContact OD1-CB 3.23Å; D190-T192 WeakPolarHBondContact OD1-CB 3.43Å; D190-T192 PolarHBondContact OD1-N 2.93Å; D190-T192 PolarHBondContact OD1-OG1 3.49Å; D190-V195 HydrophobicContact CB-CB 4.19Å; D190-V195 HydrophobicContact CB-CG1 4.12Å; D190-V195 WeakPolarHBondContact OD2-CG1 3.46Å; D190-R196 HydrophobicContact CB-CG 4.19Å; D190-R196 VanDerWaalsContact O-CD 3.24Å; D190-R196 WeakPolarHBondContact O-CD 3.33Å; D190-R196 VanDerWaalsContact O-CG 3.24Å; D190-R196 WeakPolarHBondContact O-CG 3.17Å; D190-R196 PolarHBondContact O-NH1 3.43Å | ||
| 191 | P | 96.3 | Very high | 97.1 | Very high | 112 Ų | 112 | 38.2 Ų | 38.2 | 73% | 0.727 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -63.7 | -22.5 | -178.8 | 25.3 | -35 | 0 | 0 | 0 | 112.9 | R196 | P191-R196 PolarHBondContact O-NH1 3.49Š|
| 192 | T | 97.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 26% | 0.258 | 19% | 0.186 | S | C | . | . | trans | -91.1 | 115.8 | -175 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | V156 R159 D190 E194 V195 R196 | V156-T192 HydrophobicContact CB-CG2 4.48Å; V156-T192 HydrophobicContact CG1-CG2 3.84Å; V156-T192 HydrophobicContact CG2-CG2 3.76Å; R159-T192 PolarHBondContact NH2-OG1 2.77Å; R159-T192 VanDerWaalsContact NH2-OG1 3.07Å; D190-T192 PolarHBondContact O-N 3.18Å; D190-T192 VanDerWaalsContact O-N 3.16Å; D190-T192 WeakPolarHBondContact OD1-CA 3.48Å; D190-T192 VanDerWaalsContact OD1-CB 3.23Å; D190-T192 WeakPolarHBondContact OD1-CB 3.43Å; D190-T192 PolarHBondContact OD1-N 2.93Å; D190-T192 PolarHBondContact OD1-OG1 3.49Å; T192-E194 VanDerWaalsContact C-N 3.25Å; T192-E194 HydrophobicContact CG2-CB 4.3Å; T192-E194 PolarHBondContact O-N 2.64Å; T192-E194 VanDerWaalsContact O-N 3.17Å; T192-V195 HydrophobicContact CG2-CG2 4.11Å; T192-V195 PolarHBondContact O-N 3.43Å; T192-R196 PolarHBondContact O-N 3.06Å; T192-R196 VanDerWaalsContact O-N 3.12Å | ||
| 193 | A | 97.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 36 Ų | 36 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.1 | -37.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V195 R196 R197 A221 V224 | A193-V195 VanDerWaalsContact C-N 3.31Å; A193-V195 PolarHBondContact O-N 3.08Å; A193-R196 PolarHBondContact O-N 3.28Å; A193-R197 VanDerWaalsContact O-CB 3.27Å; A193-R197 WeakPolarHBondContact O-CB 2.88Å; A193-R197 PolarHBondContact O-N 3.01Å; A193-A221 HydrophobicContact CB-CB 3.37Å; A193-V224 HydrophobicContact CB-CG2 4.04Å; A193-V224 VanDerWaalsContact O-CG2 3.29Å; A193-V224 WeakPolarHBondContact O-CG2 3.08Å |
| 194 | E | 97.7 | Very high | 96.9 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -38 | 176.5 | -174.6 | 173.7 | -145.3 | 0 | 0 | 112.7 | V160 T192 R197 A198 | V160-E194 HydrophobicContact CG2-CG 4.03Å; T192-E194 VanDerWaalsContact C-N 3.25Å; T192-E194 HydrophobicContact CG2-CB 4.3Å; T192-E194 PolarHBondContact O-N 2.64Å; T192-E194 VanDerWaalsContact O-N 3.17Å; E194-R197 IonicContact OE1-NH2 3.14Å; E194-A198 WeakPolarHBondContact O-CB 3.45Å; E194-A198 PolarHBondContact O-N 2.87Å |
| 195 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.6 | -42.9 | 179.7 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | V156 R159 V160 I163 L186 D190 T192 A193 R197 A198 A199 | V156-V195 HydrophobicContact CG1-CG2 3.88Å; R159-V195 HydrophobicContact CB-CG1 4.08Å; R159-V195 HydrophobicContact CB-CG2 4.22Å; V160-V195 HydrophobicContact CG2-CG2 4.15Å; I163-V195 HydrophobicContact CD1-CG1 3.48Å; I163-V195 VanDerWaalsContact CD1-CG1 3.48Å; L186-V195 HydrophobicContact CD2-CG1 4.44Å; D190-V195 HydrophobicContact CB-CB 4.19Å; D190-V195 HydrophobicContact CB-CG1 4.12Å; D190-V195 WeakPolarHBondContact OD2-CG1 3.46Å; T192-V195 HydrophobicContact CG2-CG2 4.11Å; T192-V195 PolarHBondContact O-N 3.43Å; A193-V195 VanDerWaalsContact C-N 3.31Å; A193-V195 PolarHBondContact O-N 3.08Å; V195-R197 VanDerWaalsContact C-N 3.33Å; V195-R197 PolarHBondContact O-N 3.08Å; V195-A198 PolarHBondContact O-N 3.31Å; V195-A199 WeakPolarHBondContact O-CB 3.31Å; V195-A199 PolarHBondContact O-N 3.19Å |
| 196 | R | 98.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 172 | -61.1 | -161 | -64 | -82.6 | 4 | 111.4 | T187 D190 P191 T192 A193 A198 L200 D219 V224 | T187-R196 WeakPolarHBondContact O-CD 3.29Å; D190-R196 HydrophobicContact CB-CG 4.19Å; D190-R196 VanDerWaalsContact O-CD 3.24Å; D190-R196 WeakPolarHBondContact O-CD 3.33Å; D190-R196 VanDerWaalsContact O-CG 3.24Å; D190-R196 WeakPolarHBondContact O-CG 3.17Å; D190-R196 PolarHBondContact O-NH1 3.43Å; P191-R196 PolarHBondContact O-NH1 3.49Å; T192-R196 PolarHBondContact O-N 3.06Å; T192-R196 VanDerWaalsContact O-N 3.12Å; A193-R196 PolarHBondContact O-N 3.28Å; R196-A198 PolarHBondContact O-N 3.25Å; R196-L200 WeakPolarHBondContact O-CB 3.43Å; R196-L200 PolarHBondContact O-N 3.05Å; R196-D219 IonicContact CZ-OD1 2.94Å; R196-D219 IonicContact CZ-OD2 3.16Å; R196-D219 IonicContact NE-OD1 3.68Å; R196-D219 PolarHBondContact NE-OD1 2.89Å; R196-D219 IonicContact NE-OD2 3.49Å; R196-D219 PolarHBondContact NE-OD2 3.03Å; R196-D219 IonicContact NH2-OD1 3.68Å; R196-D219 PolarHBondContact NH2-OD1 3.47Å; R196-D219 IonicContact NH2-OD2 2.72Å; R196-V224 HydrophobicContact CB-CG2 4.26Å |
| 197 | R | 98.1 | Very high | 96 | Very high | 78 Ų | 78 | 43.8 Ų | 43.8 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.2 | -40 | 176 | -171 | -172.5 | 60.9 | 69.6 | 1.5 | 112.5 | A193 E194 V195 A201 N223 V224 A227 | A193-R197 VanDerWaalsContact O-CB 3.27Å; A193-R197 WeakPolarHBondContact O-CB 2.88Å; A193-R197 PolarHBondContact O-N 3.01Å; E194-R197 IonicContact OE1-NH2 3.14Å; V195-R197 VanDerWaalsContact C-N 3.33Å; V195-R197 PolarHBondContact O-N 3.08Å; R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.43Å; R197-A201 PolarHBondContact O-N 2.92Å; R197-A201 VanDerWaalsContact O-N 3.1Å; R197-N223 WeakPolarHBondContact CD-O 2.95Å; R197-V224 HydrophobicContact CB-CG2 4.05Å; R197-A227 HydrophobicContact CG-CB 3.92Å |
| 198 | A | 97.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.7 | -47.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V160 I163 E194 V195 R196 A201 A202 | V160-A198 HydrophobicContact CG1-CB 4.21Å; V160-A198 HydrophobicContact CG2-CB 4.37Å; I163-A198 HydrophobicContact CD1-CB 4.27Å; I163-A198 HydrophobicContact CG2-CB 4.22Å; E194-A198 WeakPolarHBondContact O-CB 3.45Å; E194-A198 PolarHBondContact O-N 2.87Å; V195-A198 PolarHBondContact O-N 3.31Å; R196-A198 PolarHBondContact O-N 3.25Å; A198-A201 PolarHBondContact O-N 3.43Å; A198-A202 WeakPolarHBondContact O-CB 3.25Å; A198-A202 PolarHBondContact O-N 2.74Å |
| 199 | A | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I163 L186 T187 V195 A201 A202 M203 | I163-A199 HydrophobicContact CD1-CB 4.09Å; L186-A199 HydrophobicContact CB-CB 3.91Å; T187-A199 WeakPolarHBondContact OG1-CB 3.35Å; V195-A199 WeakPolarHBondContact O-CB 3.31Å; V195-A199 PolarHBondContact O-N 3.19Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.49Å; A199-A202 PolarHBondContact O-N 3.14Å; A199-A202 VanDerWaalsContact O-N 3.17Å; A199-M203 WeakPolarHBondContact O-CB 3.5Å; A199-M203 PolarHBondContact O-N 3.03Å |
| 200 | L | 96.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -39.3 | 177.8 | -175.4 | 70.1 | 0 | 0 | 0 | 113.2 | T187 R196 M203 L213 R216 V224 A228 L231 | T187-L200 HydrophobicContact CG2-CB 4.2Å; T187-L200 HydrophobicContact CG2-CD1 3.83Å; T187-L200 PolarHBondContact OG1-N 3.28Å; R196-L200 WeakPolarHBondContact O-CB 3.43Å; R196-L200 PolarHBondContact O-N 3.05Å; L200-M203 HydrophobicContact CD1-CE 4.2Å; L200-L213 HydrophobicContact CD1-CB 4.15Å; L200-L213 HydrophobicContact CD1-CD1 3.76Å; L200-L213 HydrophobicContact CD2-CD1 4.29Å; L200-L213 HydrophobicContact CG-CD1 4.24Å; L200-R216 HydrophobicContact CD1-CB 4.26Å; L200-R216 HydrophobicContact CD1-CG 3.99Å; L200-R216 HydrophobicContact CD2-CB 3.77Å; L200-R216 HydrophobicContact CD2-CG 3.99Å; L200-V224 HydrophobicContact CD2-CG1 4.29Å; L200-A228 HydrophobicContact CD2-CB 3.98Å; L200-L231 HydrophobicContact CD2-CD1 4.13Å; L200-L231 HydrophobicContact CG-CD1 3.76Å; L200-L231 WeakPolarHBondContact O-CD1 3.37Å |
| 201 | A | 95.7 | Very high | 95.5 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 49% | 0.488 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -79.7 | -22.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R197 A198 A199 | R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.43Å; R197-A201 PolarHBondContact O-N 2.92Å; R197-A201 VanDerWaalsContact O-N 3.1Å; A198-A201 PolarHBondContact O-N 3.43Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.49Å |
| 202 | A | 95.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -85 | -25.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | I163 Q170 F183 A198 A199 | I163-A202 HydrophobicContact CG2-CB 3.69Å; Q170-A202 PolarHBondContact NE2-O 3.15Å; F183-A202 HydrophobicContact CD2-CB 4.35Å; F183-A202 HydrophobicContact CE2-CB 3.66Å; F183-A202 HydrophobicContact CZ-CB 3.97Å; A198-A202 WeakPolarHBondContact O-CB 3.25Å; A198-A202 PolarHBondContact O-N 2.74Å; A199-A202 PolarHBondContact O-N 3.14Å; A199-A202 VanDerWaalsContact O-N 3.17Å |
| 203 | M | 95.4 | Very high | 95.3 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -66.9 | 127.9 | -174 | -173 | 167.6 | 62.5 | 0 | 0 | 113 | F183 I184 A199 L200 L205 T209 | F183-M203 HydrophobicContact CB-CB 4.31Å; F183-M203 HydrophobicContact CB-CG 4.32Å; F183-M203 HydrophobicContact CB-SD 4.24Å; F183-M203 HydrophobicContact CD2-CB 4.11Å; I184-M203 HydrophobicContact CG1-SD 3.93Å; A199-M203 WeakPolarHBondContact O-CB 3.5Å; A199-M203 PolarHBondContact O-N 3.03Å; L200-M203 HydrophobicContact CD1-CE 4.2Å; M203-L205 PolarHBondContact O-N 3.1Å; M203-T209 HydrophobicContact CG-CG2 3.88Å; M203-T209 HydrophobicContact SD-CG2 3.73Å |
| 204 | V | 93.6 | Very high | 95.2 | Very high | 55 Ų | 55 | 38 Ų | 38 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -66.7 | 130.7 | 171 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | Q170 P172 T206 T209 | Q170-V204 HydrophobicContact CB-CG2 4.36Å; P172-V204 HydrophobicContact CB-CB 4.24Å; P172-V204 HydrophobicContact CB-CG1 3.76Å; P172-V204 HydrophobicContact CG-CG1 4.19Å; V204-T206 HydrophobicContact CG1-CG2 4.22Å; V204-T209 PolarHBondContact O-OG1 3.44Å |
| 205 | L | 92.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 37.2 Ų | 37.2 | 27% | 0.272 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -86.5 | 116.5 | -178.2 | -169.5 | 59.3 | 0 | 0 | 0 | 111.3 | M203 T209 L210 L213 R235 I237 | M203-L205 PolarHBondContact O-N 3.1Å; L205-T209 WeakPolarHBondContact CA-OG1 3.47Å; L205-L210 HydrophobicContact CD1-CB 3.93Å; L205-L210 HydrophobicContact CD1-CD1 4.02Å; L205-L213 HydrophobicContact CD1-CB 4.29Å; L205-L213 HydrophobicContact CD1-CD2 3.66Å; L205-L213 HydrophobicContact CD2-CD2 3.73Å; L205-L213 HydrophobicContact CG-CD2 4.36Å; L205-R235 HydrophobicContact CD2-CB 4.44Å; L205-R235 HydrophobicContact CD2-CG 4.43Å; L205-I237 HydrophobicContact CD2-CD1 3.8Å; L205-I237 HydrophobicContact CD2-CG1 3.75Å |
| 206 | T | 91.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | trans | -133.3 | 176.5 | 177 | 68.7 | 0 | 0 | 0 | 0 | 109.4 | P172 V204 R208 T209 L210 | P172-T206 HydrophobicContact CB-CG2 3.94Å; V204-T206 HydrophobicContact CG1-CG2 4.22Å; T206-R208 PolarHBondContact O-N 2.53Å; T206-R208 PolarHBondContact OG1-N 2.85Å; T206-T209 PolarHBondContact N-OG1 3.41Å; T206-T209 PolarHBondContact O-N 3.05Å; T206-T209 PolarHBondContact OG1-N 3.44Å; T206-T209 PolarHBondContact OG1-OG1 3.49Å; T206-L210 VanDerWaalsContact O-CB 3.31Å; T206-L210 WeakPolarHBondContact O-CB 3.29Å; T206-L210 PolarHBondContact O-N 2.85Å | ||
| 207 | T | 89.1 | Confident | 95.1 | Very high | 128 Ų | 128 | 38 Ų | 38 | 79% | 0.785 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35.3 | 170.4 | 47.1 | 0 | 0 | 0 | 0 | 112.4 | P211 | T207-P211 WeakPolarHBondContact O-CD 3.34Š|
| 208 | R | 90.8 | Very high | 95 | Very high | 105 Ų | 105 | 40.4 Ų | 40.4 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -40.2 | 176.2 | -170.4 | -177.1 | -169.5 | -91.1 | -10.6 | 112.8 | A175 E181 I184 T206 | A175-R208 PolarHBondContact O-NE 3.18Å; E181-R208 IonicContact OE2-CZ 3.8Å; E181-R208 VanDerWaalsContact OE2-CZ 3.31Å; E181-R208 IonicContact OE2-NH1 2.74Å; E181-R208 PolarHBondContact OE2-NH1 3.4Å; E181-R208 IonicContact OE2-NH2 3.78Å; E181-R208 PolarHBondContact OE2-NH2 2.84Å; I184-R208 VanDerWaalsContact CD1-NH1 3.31Å; T206-R208 PolarHBondContact O-N 2.53Å; T206-R208 PolarHBondContact OG1-N 2.85Å |
| 209 | T | 93.9 | Very high | 95 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -19.8 | -173.9 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | V180 I184 M203 V204 L205 T206 P211 S212 L213 | V180-T209 HydrophobicContact CG1-CG2 3.5Å; V180-T209 VanDerWaalsContact CG1-CG2 3.5Å; I184-T209 HydrophobicContact CD1-CG2 4.19Å; I184-T209 HydrophobicContact CG1-CG2 4.34Å; M203-T209 HydrophobicContact CG-CG2 3.88Å; M203-T209 HydrophobicContact SD-CG2 3.73Å; V204-T209 PolarHBondContact O-OG1 3.44Å; L205-T209 WeakPolarHBondContact CA-OG1 3.47Å; T206-T209 PolarHBondContact N-OG1 3.41Å; T206-T209 PolarHBondContact O-N 3.05Å; T206-T209 PolarHBondContact OG1-N 3.44Å; T206-T209 PolarHBondContact OG1-OG1 3.49Å; T209-P211 VanDerWaalsContact C-CD 3.49Å; T209-S212 WeakPolarHBondContact O-CB 3.38Å; T209-S212 PolarHBondContact O-N 2.7Å; T209-L213 PolarHBondContact O-N 2.82Å |
| 210 | L | 94.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.6 | -40.1 | 178.9 | 178.4 | 61.6 | 0 | 0 | 0 | 114.7 | L205 T206 S212 L213 V214 L232 I237 P240 L241 | L205-L210 HydrophobicContact CD1-CB 3.93Å; L205-L210 HydrophobicContact CD1-CD1 4.02Å; T206-L210 VanDerWaalsContact O-CB 3.31Å; T206-L210 WeakPolarHBondContact O-CB 3.29Å; T206-L210 PolarHBondContact O-N 2.85Å; L210-S212 VanDerWaalsContact C-N 3.28Å; L210-S212 PolarHBondContact O-N 2.99Å; L210-L213 HydrophobicContact CD1-CD2 4.19Å; L210-L213 WeakPolarHBondContact O-CB 3.4Å; L210-L213 PolarHBondContact O-N 2.9Å; L210-L213 VanDerWaalsContact O-N 3.12Å; L210-V214 HydrophobicContact CD1-CG2 4.01Å; L210-V214 HydrophobicContact CG-CG2 4.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.41Å; L210-V214 PolarHBondContact O-N 2.94Å; L210-L232 HydrophobicContact CD1-CD2 4.05Å; L210-I237 HydrophobicContact CD1-CG2 3.93Å; L210-I237 HydrophobicContact CD2-CG2 4.05Å; L210-P240 HydrophobicContact CD2-CB 3.8Å; L210-L241 HydrophobicContact CD1-CD2 4.4Å; L210-L241 HydrophobicContact CD2-CD2 4.01Å; L210-L241 HydrophobicContact CG-CD2 4.33Å |
| 211 | P | 94.5 | Very high | 94.8 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 174.1 | -26.7 | 35.8 | 0 | 0 | 0 | 112.8 | T207 T209 L213 V214 E215 | T207-P211 WeakPolarHBondContact O-CD 3.34Å; T209-P211 VanDerWaalsContact C-CD 3.49Å; P211-L213 VanDerWaalsContact C-N 3.3Å; P211-L213 PolarHBondContact O-N 3.23Å; P211-V214 PolarHBondContact O-N 3.45Å; P211-E215 VanDerWaalsContact O-CG 3.31Å; P211-E215 WeakPolarHBondContact O-CG 3.49Å; P211-E215 PolarHBondContact O-N 3.31Å |
| 212 | S | 94.8 | Very high | 95 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -29.9 | 179 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | T209 L210 R216 | T209-S212 WeakPolarHBondContact O-CB 3.38Å; T209-S212 PolarHBondContact O-N 2.7Å; L210-S212 VanDerWaalsContact C-N 3.28Å; L210-S212 PolarHBondContact O-N 2.99Å; S212-R216 WeakPolarHBondContact O-CG 3.44Å |
| 213 | L | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.1 | -46.4 | 170.9 | 169.3 | 61.5 | 0 | 0 | 0 | 111.8 | L200 L205 T209 L210 P211 E215 R216 A228 L231 L232 | L200-L213 HydrophobicContact CD1-CB 4.15Å; L200-L213 HydrophobicContact CD1-CD1 3.76Å; L200-L213 HydrophobicContact CD2-CD1 4.29Å; L200-L213 HydrophobicContact CG-CD1 4.24Å; L205-L213 HydrophobicContact CD1-CB 4.29Å; L205-L213 HydrophobicContact CD1-CD2 3.66Å; L205-L213 HydrophobicContact CD2-CD2 3.73Å; L205-L213 HydrophobicContact CG-CD2 4.36Å; T209-L213 PolarHBondContact O-N 2.82Å; L210-L213 HydrophobicContact CD1-CD2 4.19Å; L210-L213 WeakPolarHBondContact O-CB 3.4Å; L210-L213 PolarHBondContact O-N 2.9Å; L210-L213 VanDerWaalsContact O-N 3.12Å; P211-L213 VanDerWaalsContact C-N 3.3Å; P211-L213 PolarHBondContact O-N 3.23Å; L213-E215 PolarHBondContact O-N 2.93Å; L213-R216 PolarHBondContact O-N 3.32Å; L213-R216 VanDerWaalsContact O-N 3.09Å; L213-A228 HydrophobicContact CD1-CB 3.89Å; L213-L231 HydrophobicContact CD1-CB 3.93Å; L213-L231 HydrophobicContact CD1-CD1 4.12Å; L213-L231 HydrophobicContact CD2-CB 4.35Å; L213-L232 HydrophobicContact CD2-CD2 3.63Å; L213-L232 HydrophobicContact CD2-CG 4Å; L213-L232 HydrophobicContact CG-CD2 4.04Å; L213-L232 HydrophobicContact CG-CG 4.17Å |
| 214 | V | 96.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | L210 P211 R216 C217 L241 I249 | L210-V214 HydrophobicContact CD1-CG2 4.01Å; L210-V214 HydrophobicContact CG-CG2 4.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.41Å; L210-V214 PolarHBondContact O-N 2.94Å; P211-V214 PolarHBondContact O-N 3.45Å; V214-R216 PolarHBondContact O-N 2.87Å; V214-C217 VanDerWaalsContact O-CB 3.3Å; V214-C217 WeakPolarHBondContact O-CB 3.44Å; V214-C217 PolarHBondContact O-N 3.35Å; V214-C217 VanDerWaalsContact O-N 3.07Å; V214-L241 HydrophobicContact CG2-CD2 3.79Å; V214-I249 HydrophobicContact CG1-CD1 3.88Å; V214-I249 HydrophobicContact CG1-CG1 4.11Å; V214-I249 HydrophobicContact CG2-CD1 3.99Å |
| 215 | E | 96.2 | Very high | 95.4 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.1 | -34.4 | 172.2 | -76.3 | 164.3 | -145.7 | 0 | 0 | 112.8 | R188 P211 L213 C217 R218 | R188-E215 WeakPolarHBondContact CG-OE2 3.2Å; R188-E215 IonicContact CZ-OE1 3.81Å; R188-E215 IonicContact CZ-OE2 2.85Å; R188-E215 IonicContact NE-OE1 2.75Å; R188-E215 PolarHBondContact NE-OE1 3.34Å; R188-E215 IonicContact NE-OE2 3.57Å; R188-E215 PolarHBondContact NE-OE2 3.19Å; R188-E215 IonicContact NH2-OE1 3.18Å; R188-E215 PolarHBondContact NH2-OE1 2.65Å; R188-E215 IonicContact NH2-OE2 3.89Å; P211-E215 VanDerWaalsContact O-CG 3.31Å; P211-E215 WeakPolarHBondContact O-CG 3.49Å; P211-E215 PolarHBondContact O-N 3.31Å; L213-E215 PolarHBondContact O-N 2.93Å; E215-C217 VanDerWaalsContact C-N 3.26Å; E215-C217 PolarHBondContact O-N 3.42Å; E215-R218 PolarHBondContact O-N 2.83Å |
| 216 | R | 97.1 | Very high | 95.7 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -75.6 | -8.7 | 179.3 | -69.9 | -45 | 95.6 | 172.7 | 11.2 | 114.3 | T187 L200 S212 L213 V214 R218 D219 V224 R225 A228 | T187-R216 HydrophobicContact CG2-CG 3.39Å; T187-R216 WeakPolarHBondContact O-CD 3.26Å; T187-R216 PolarHBondContact O-NE 3.46Å; T187-R216 PolarHBondContact O-NH1 2.98Å; L200-R216 HydrophobicContact CD1-CB 4.26Å; L200-R216 HydrophobicContact CD1-CG 3.99Å; L200-R216 HydrophobicContact CD2-CB 3.77Å; L200-R216 HydrophobicContact CD2-CG 3.99Å; S212-R216 WeakPolarHBondContact O-CG 3.44Å; L213-R216 PolarHBondContact O-N 3.32Å; L213-R216 VanDerWaalsContact O-N 3.09Å; V214-R216 PolarHBondContact O-N 2.87Å; R216-R218 PolarHBondContact O-N 3.45Å; R216-D219 VanDerWaalsContact CD-OD2 3.25Å; R216-D219 WeakPolarHBondContact CD-OD2 3.4Å; R216-D219 IonicContact CZ-OD2 3.92Å; R216-D219 IonicContact NE-OD2 2.72Å; R216-D219 IonicContact NH1-OD2 2.84Å; R216-D219 PolarHBondContact NH1-OD2 3.49Å; R216-D219 WeakPolarHBondContact O-CB 3.28Å; R216-D219 PolarHBondContact O-N 3.1Å; R216-V224 HydrophobicContact CB-CG1 4.04Å; R216-V224 HydrophobicContact CG-CG1 4.1Å; R216-R225 WeakPolarHBondContact O-CA 3.43Å; R216-R225 WeakPolarHBondContact O-CG 3.46Å; R216-A228 HydrophobicContact CB-CB 4Å |
| 217 | C | 97.5 | Very high | 96 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -62.6 | -22.6 | 165.3 | -70.6 | 0 | 0 | 0 | 0 | 112.3 | V214 E215 R225 Y229 | V214-C217 VanDerWaalsContact O-CB 3.3Å; V214-C217 WeakPolarHBondContact O-CB 3.44Å; V214-C217 PolarHBondContact O-N 3.35Å; V214-C217 VanDerWaalsContact O-N 3.07Å; E215-C217 VanDerWaalsContact C-N 3.26Å; E215-C217 PolarHBondContact O-N 3.42Å; C217-R225 WeakPolarHBondContact O-CD 3.45Å; C217-R225 VanDerWaalsContact O-CG 3.3Å; C217-R225 WeakPolarHBondContact O-CG 3.43Å; C217-Y229 HydrophobicContact CB-CE1 4.47Å; C217-Y229 HydrophobicContact CB-CE2 3.89Å |
| 218 | R | 96.4 | Very high | 96.4 | Very high | 129 Ų | 129 | 42.1 Ų | 42.1 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -109.6 | 23.7 | 173.9 | -65.7 | -169.9 | 177 | -158.2 | -5.6 | 114.1 | E215 R216 R248 D252 | E215-R218 PolarHBondContact O-N 2.83Å; R216-R218 PolarHBondContact O-N 3.45Å; R218-R248 VanDerWaalsContact NH1-NH2 3.18Å; R218-D252 IonicContact CZ-OD1 3.05Å; R218-D252 IonicContact CZ-OD2 2.76Å; R218-D252 VanDerWaalsContact NE-CG 3.28Å; R218-D252 IonicContact NE-OD1 3.39Å; R218-D252 PolarHBondContact NE-OD1 3.13Å; R218-D252 IonicContact NE-OD2 3.12Å; R218-D252 PolarHBondContact NE-OD2 3.08Å; R218-D252 VanDerWaalsContact NH2-CG 3.32Å; R218-D252 IonicContact NH2-OD1 3.94Å; R218-D252 PolarHBondContact NH2-OD1 3.43Å; R218-D252 IonicContact NH2-OD2 2.76Å; R218-D252 PolarHBondContact NH2-OD2 2.72Å; R218-D252 VanDerWaalsContact NH2-OD2 3.14Å |
| 219 | D | 97.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -63.2 | 147.5 | 176.2 | -163.5 | -82 | 0 | 0 | 0 | 112.2 | R196 R216 A221 V224 R225 | R196-D219 IonicContact CZ-OD1 2.94Å; R196-D219 IonicContact CZ-OD2 3.16Å; R196-D219 IonicContact NE-OD1 3.68Å; R196-D219 PolarHBondContact NE-OD1 2.89Å; R196-D219 IonicContact NE-OD2 3.49Å; R196-D219 PolarHBondContact NE-OD2 3.03Å; R196-D219 IonicContact NH2-OD1 3.68Å; R196-D219 PolarHBondContact NH2-OD1 3.47Å; R196-D219 IonicContact NH2-OD2 2.72Å; R216-D219 VanDerWaalsContact CD-OD2 3.25Å; R216-D219 WeakPolarHBondContact CD-OD2 3.4Å; R216-D219 IonicContact CZ-OD2 3.92Å; R216-D219 IonicContact NE-OD2 2.72Å; R216-D219 IonicContact NH1-OD2 2.84Å; R216-D219 PolarHBondContact NH1-OD2 3.49Å; R216-D219 WeakPolarHBondContact O-CB 3.28Å; R216-D219 PolarHBondContact O-N 3.1Å; D219-A221 PolarHBondContact O-N 3.01Å; D219-A221 VanDerWaalsContact O-N 3.09Å; D219-A221 PolarHBondContact OD1-N 2.82Å; D219-V224 HydrophobicContact CB-CB 3.81Å; D219-V224 HydrophobicContact CB-CG1 3.62Å; D219-R225 HydrophobicContact CB-CG 4Å; D219-R225 WeakPolarHBondContact O-CD 3.07Å; D219-R225 VanDerWaalsContact O-CG 3.27Å; D219-R225 WeakPolarHBondContact O-CG 3.47Å; D219-R225 PolarHBondContact O-NE 3.29Å | ||
| 220 | L | 94.7 | Very high | 96.9 | Very high | 131 Ų | 131 | 40.7 Ų | 40.7 | 69% | 0.686 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -58.5 | -23 | 177.5 | -63.6 | 178 | 0 | 0 | 0 | 113.5 | H1151 | L220-H1151 HydrophobicContact CD2-CB 4.49Š|
| 221 | A | 97.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -107.7 | 124.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A193 D219 N223 V224 R225 | A193-A221 HydrophobicContact CB-CB 3.37Å; D219-A221 PolarHBondContact O-N 3.01Å; D219-A221 VanDerWaalsContact O-N 3.09Å; D219-A221 PolarHBondContact OD1-N 2.82Å; A221-N223 PolarHBondContact O-N 3.14Å; A221-N223 VanDerWaalsContact O-N 3.16Å; A221-V224 HydrophobicContact CB-CG2 4.01Å; A221-V224 WeakPolarHBondContact O-CA 3.21Å; A221-V224 WeakPolarHBondContact O-CB 3.5Å; A221-V224 PolarHBondContact O-N 2.98Å; A221-R225 PolarHBondContact O-N 2.85Å |
| 222 | D | 98.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 31% | 0.31 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -52.8 | -37.9 | -179.4 | -58.8 | 49.9 | 0 | 0 | 0 | 112.6 | V224 R225 R226 S258 V261 | D222-V224 VanDerWaalsContact C-N 3.32Å; D222-V224 PolarHBondContact O-N 3.02Å; D222-R225 PolarHBondContact O-N 3.11Å; D222-R225 IonicContact OD1-CZ 2.69Å; D222-R225 IonicContact OD1-NH2 3.54Å; D222-R225 PolarHBondContact OD1-NH2 3.05Å; D222-R225 IonicContact OD2-CZ 2.69Å; D222-R225 IonicContact OD2-NH2 3.72Å; D222-R225 PolarHBondContact OD2-NH2 2.76Å; D222-R226 WeakPolarHBondContact O-CB 3.45Å; D222-R226 PolarHBondContact O-N 2.78Å; D222-S258 WeakPolarHBondContact OD2-CB 3.34Å; D222-V261 WeakPolarHBondContact O-CG2 3.09Å |
| 223 | N | 97.2 | Very high | 97.2 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -73.4 | -20.2 | 178.8 | 70 | 2 | 0 | 0 | 0 | 114.1 | R197 A221 A227 | R197-N223 WeakPolarHBondContact CD-O 2.95Å; A221-N223 PolarHBondContact O-N 3.14Å; A221-N223 VanDerWaalsContact O-N 3.16Å; N223-A227 WeakPolarHBondContact O-CB 3.35Å |
| 224 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -81.3 | -49.4 | 170.1 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | A193 R196 R197 L200 R216 D219 A221 D222 R226 A227 A228 | A193-V224 HydrophobicContact CB-CG2 4.04Å; A193-V224 VanDerWaalsContact O-CG2 3.29Å; A193-V224 WeakPolarHBondContact O-CG2 3.08Å; R196-V224 HydrophobicContact CB-CG2 4.26Å; R197-V224 HydrophobicContact CB-CG2 4.05Å; L200-V224 HydrophobicContact CD2-CG1 4.29Å; R216-V224 HydrophobicContact CB-CG1 4.04Å; R216-V224 HydrophobicContact CG-CG1 4.1Å; D219-V224 HydrophobicContact CB-CB 3.81Å; D219-V224 HydrophobicContact CB-CG1 3.62Å; A221-V224 HydrophobicContact CB-CG2 4.01Å; A221-V224 WeakPolarHBondContact O-CA 3.21Å; A221-V224 WeakPolarHBondContact O-CB 3.5Å; A221-V224 PolarHBondContact O-N 2.98Å; D222-V224 VanDerWaalsContact C-N 3.32Å; D222-V224 PolarHBondContact O-N 3.02Å; V224-R226 PolarHBondContact O-N 2.77Å; V224-A227 WeakPolarHBondContact O-CA 3.36Å; V224-A227 WeakPolarHBondContact O-CB 3.35Å; V224-A227 PolarHBondContact O-N 3.48Å; V224-A228 PolarHBondContact O-N 2.97Å |
| 225 | R | 98.5 | Very high | 96.9 | Very high | 25 Ų | 25 | 50 Ų | 50 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.5 | -50.5 | 176.5 | -67.4 | -170.3 | -83.6 | 103 | -2.2 | 111.4 | R216 C217 D219 A221 D222 A227 A228 Y229 D256 V261 | R216-R225 WeakPolarHBondContact O-CA 3.43Å; R216-R225 WeakPolarHBondContact O-CG 3.46Å; C217-R225 WeakPolarHBondContact O-CD 3.45Å; C217-R225 VanDerWaalsContact O-CG 3.3Å; C217-R225 WeakPolarHBondContact O-CG 3.43Å; D219-R225 HydrophobicContact CB-CG 4Å; D219-R225 WeakPolarHBondContact O-CD 3.07Å; D219-R225 VanDerWaalsContact O-CG 3.27Å; D219-R225 WeakPolarHBondContact O-CG 3.47Å; D219-R225 PolarHBondContact O-NE 3.29Å; A221-R225 PolarHBondContact O-N 2.85Å; D222-R225 PolarHBondContact O-N 3.11Å; D222-R225 IonicContact OD1-CZ 2.69Å; D222-R225 IonicContact OD1-NH2 3.54Å; D222-R225 PolarHBondContact OD1-NH2 3.05Å; D222-R225 IonicContact OD2-CZ 2.69Å; D222-R225 IonicContact OD2-NH2 3.72Å; D222-R225 PolarHBondContact OD2-NH2 2.76Å; R225-A227 PolarHBondContact O-N 2.76Å; R225-A228 WeakPolarHBondContact O-CB 3.32Å; R225-A228 PolarHBondContact O-N 3.46Å; R225-Y229 WeakPolarHBondContact O-CD2 3.38Å; R225-Y229 PolarHBondContact O-N 3.48Å; R225-D256 IonicContact CZ-OD1 2.67Å; R225-D256 IonicContact CZ-OD2 3.53Å; R225-D256 IonicContact NH1-OD1 3.29Å; R225-D256 PolarHBondContact NH1-OD1 2.9Å; R225-D256 IonicContact NH1-OD2 3.28Å; R225-D256 PolarHBondContact NH1-OD2 3Å; R225-D256 IonicContact NH2-OD1 2.66Å; R225-V261 HydrophobicContact CB-CG1 4.29Å; R225-V261 HydrophobicContact CB-CG2 4.07Å |
| 226 | R | 98.3 | Very high | 96.6 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.1 | -36.2 | 175.9 | -168.6 | -170.3 | 70.9 | 152.1 | 2.4 | 112.9 | D222 V224 K230 E260 V261 A264 | D222-R226 WeakPolarHBondContact O-CB 3.45Å; D222-R226 PolarHBondContact O-N 2.78Å; V224-R226 PolarHBondContact O-N 2.77Å; R226-K230 WeakPolarHBondContact O-CB 3.43Å; R226-K230 WeakPolarHBondContact O-CG 3.28Å; R226-K230 PolarHBondContact O-N 2.94Å; R226-K230 VanDerWaalsContact O-N 3.13Å; R226-E260 HydrophobicContact CG-CB 4.36Å; R226-V261 HydrophobicContact CB-CG2 3.84Å; R226-A264 HydrophobicContact CG-CB 3.94Å |
| 227 | A | 98 | Very high | 96.2 | Very high | 18 Ų | 18 | 48 Ų | 48 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.6 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R197 N223 V224 R225 K230 L231 | R197-A227 HydrophobicContact CG-CB 3.92Å; N223-A227 WeakPolarHBondContact O-CB 3.35Å; V224-A227 WeakPolarHBondContact O-CA 3.36Å; V224-A227 WeakPolarHBondContact O-CB 3.35Å; V224-A227 PolarHBondContact O-N 3.48Å; R225-A227 PolarHBondContact O-N 2.76Å; A227-K230 PolarHBondContact O-N 3.03Å; A227-L231 WeakPolarHBondContact O-CB 3.35Å; A227-L231 WeakPolarHBondContact O-CD1 3.37Å; A227-L231 VanDerWaalsContact O-CG 3.27Å; A227-L231 WeakPolarHBondContact O-CG 3.29Å; A227-L231 PolarHBondContact O-N 3.01Å |
| 228 | A | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -50.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L200 L213 R216 V224 R225 K230 L231 L232 | L200-A228 HydrophobicContact CD2-CB 3.98Å; L213-A228 HydrophobicContact CD1-CB 3.89Å; R216-A228 HydrophobicContact CB-CB 4Å; V224-A228 PolarHBondContact O-N 2.97Å; R225-A228 WeakPolarHBondContact O-CB 3.32Å; R225-A228 PolarHBondContact O-N 3.46Å; A228-K230 PolarHBondContact O-N 2.86Å; A228-L231 PolarHBondContact O-N 3.06Å; A228-L232 WeakPolarHBondContact O-CG 3.15Å; A228-L232 PolarHBondContact O-N 2.67Å |
| 229 | Y | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 176.6 | -74.2 | -75 | 0 | 0 | 0 | 112.8 | C217 R225 L231 L232 A233 I249 D252 G253 V261 T265 L268 | C217-Y229 HydrophobicContact CB-CE1 4.47Å; C217-Y229 HydrophobicContact CB-CE2 3.89Å; R225-Y229 WeakPolarHBondContact O-CD2 3.38Å; R225-Y229 PolarHBondContact O-N 3.48Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; Y229-L231 PolarHBondContact O-N 3.39Å; Y229-L232 PolarHBondContact O-N 3.1Å; Y229-A233 VanDerWaalsContact O-CB 3.31Å; Y229-A233 WeakPolarHBondContact O-CB 3.3Å; Y229-A233 PolarHBondContact O-N 2.75Å; Y229-I249 HydrophobicContact CD1-CG2 4.37Å; Y229-I249 HydrophobicContact CE1-CG2 3.67Å; Y229-I249 WeakPolarHBondContact CE1-O 3.22Å; Y229-I249 PolarHBondContact OH-O 3.08Å; Y229-D252 WeakPolarHBondContact OH-CB 3.29Å; Y229-G253 VanDerWaalsContact CZ-CA 3.46Å; Y229-G253 WeakPolarHBondContact OH-CA 3.4Å; Y229-G253 PolarHBondContact OH-N 3.46Å; Y229-G253 VanDerWaalsContact OH-N 3.08Å; Y229-V261 HydrophobicContact CD2-CG1 3.77Å; Y229-V261 HydrophobicContact CE2-CG1 3.77Å; Y229-T265 HydrophobicContact CD1-CG2 4.03Å; Y229-T265 VanDerWaalsContact CD1-OG1 3.29Å; Y229-T265 WeakPolarHBondContact CD1-OG1 3.3Å; Y229-T265 HydrophobicContact CE1-CG2 3.9Å; Y229-T265 WeakPolarHBondContact CE1-OG1 3.44Å; Y229-L268 HydrophobicContact CD1-CD2 3.89Å; Y229-L268 HydrophobicContact CE1-CD2 4.36Å |
| 230 | K | 97.8 | Very high | 95.2 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.4 | -31.5 | 175.4 | -77.5 | -178.5 | 175.5 | -73.6 | 0 | 113.6 | R226 A227 A228 S234 A264 E267 | R226-K230 WeakPolarHBondContact O-CB 3.43Å; R226-K230 WeakPolarHBondContact O-CG 3.28Å; R226-K230 PolarHBondContact O-N 2.94Å; R226-K230 VanDerWaalsContact O-N 3.13Å; A227-K230 PolarHBondContact O-N 3.03Å; A228-K230 PolarHBondContact O-N 2.86Å; K230-S234 VanDerWaalsContact O-CB 3.26Å; K230-S234 WeakPolarHBondContact O-CB 3.32Å; K230-S234 PolarHBondContact O-N 3.18Å; K230-S234 PolarHBondContact O-OG 3.36Å; K230-A264 HydrophobicContact CG-CB 3.96Å; K230-E267 IonicContact NZ-OE1 3.67Å; K230-E267 PolarHBondContact NZ-OE1 2.76Å; K230-E267 IonicContact NZ-OE2 2.73Å; K230-E267 PolarHBondContact NZ-OE2 3.01Å |
| 231 | L | 96.5 | Very high | 95.1 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.4 | -44.2 | 173.7 | -74.4 | 164 | 0 | 0 | 0 | 111.4 | L200 L213 A227 A228 Y229 A233 S234 R235 | L200-L231 HydrophobicContact CD2-CD1 4.13Å; L200-L231 HydrophobicContact CG-CD1 3.76Å; L200-L231 WeakPolarHBondContact O-CD1 3.37Å; L213-L231 HydrophobicContact CD1-CB 3.93Å; L213-L231 HydrophobicContact CD1-CD1 4.12Å; L213-L231 HydrophobicContact CD2-CB 4.35Å; A227-L231 WeakPolarHBondContact O-CB 3.35Å; A227-L231 WeakPolarHBondContact O-CD1 3.37Å; A227-L231 VanDerWaalsContact O-CG 3.27Å; A227-L231 WeakPolarHBondContact O-CG 3.29Å; A227-L231 PolarHBondContact O-N 3.01Å; A228-L231 PolarHBondContact O-N 3.06Å; Y229-L231 VanDerWaalsContact C-N 3.34Å; Y229-L231 PolarHBondContact O-N 3.39Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 2.89Å; L231-S234 PolarHBondContact O-OG 3.43Å; L231-R235 WeakPolarHBondContact O-CB 3.5Å; L231-R235 VanDerWaalsContact O-CG 3.27Å; L231-R235 WeakPolarHBondContact O-CG 3.48Å; L231-R235 PolarHBondContact O-N 3.1Å |
| 232 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 173.1 | -69.2 | 170.1 | 0 | 0 | 0 | 111.6 | L210 L213 A228 Y229 R235 G236 I237 I249 L268 | L210-L232 HydrophobicContact CD1-CD2 4.05Å; L213-L232 HydrophobicContact CD2-CD2 3.63Å; L213-L232 HydrophobicContact CD2-CG 4Å; L213-L232 HydrophobicContact CG-CD2 4.04Å; L213-L232 HydrophobicContact CG-CG 4.17Å; A228-L232 WeakPolarHBondContact O-CG 3.15Å; A228-L232 PolarHBondContact O-N 2.67Å; Y229-L232 PolarHBondContact O-N 3.1Å; L232-R235 PolarHBondContact O-N 3.45Å; L232-G236 PolarHBondContact O-N 2.79Å; L232-I237 HydrophobicContact CD2-CB 4.07Å; L232-I237 HydrophobicContact CD2-CG1 4.47Å; L232-I237 HydrophobicContact CD2-CG2 4.28Å; L232-I237 PolarHBondContact O-N 2.93Å; L232-I249 HydrophobicContact CD1-CG2 4.24Å; L232-L268 HydrophobicContact CB-CD1 3.65Å; L232-L268 HydrophobicContact CB-CD2 4.24Å; L232-L268 HydrophobicContact CD1-CD2 4.31Å |
| 233 | A | 96.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -52 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y229 L231 R235 G236 E267 L268 A271 | Y229-A233 VanDerWaalsContact O-CB 3.31Å; Y229-A233 WeakPolarHBondContact O-CB 3.3Å; Y229-A233 PolarHBondContact O-N 2.75Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 2.89Å; A233-R235 PolarHBondContact O-N 3.11Å; A233-G236 PolarHBondContact O-N 3.33Å; A233-G236 VanDerWaalsContact O-N 3.07Å; A233-E267 HydrophobicContact CB-CB 4.44Å; A233-L268 HydrophobicContact CB-CB 4.1Å; A233-L268 HydrophobicContact CB-CD1 4.18Å; A233-A271 HydrophobicContact CB-CB 4.2Å; A233-A271 VanDerWaalsContact O-CB 3.28Å; A233-A271 WeakPolarHBondContact O-CB 3.39Å |
| 234 | S | 95.1 | Very high | 94.6 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.9 | -13.3 | 179.7 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | K230 L231 | K230-S234 VanDerWaalsContact O-CB 3.26Å; K230-S234 WeakPolarHBondContact O-CB 3.32Å; K230-S234 PolarHBondContact O-N 3.18Å; K230-S234 PolarHBondContact O-OG 3.36Å; L231-S234 PolarHBondContact O-OG 3.43Å |
| 235 | R | 90.1 | Very high | 94.5 | Very high | 172 Ų | 172 | 58.9 Ų | 58.9 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -1.1 | 176.5 | -59.2 | -63 | -172.3 | 151 | 4.7 | 113.8 | L205 L231 L232 A233 I237 | L205-R235 HydrophobicContact CD2-CB 4.44Å; L205-R235 HydrophobicContact CD2-CG 4.43Å; L231-R235 WeakPolarHBondContact O-CB 3.5Å; L231-R235 VanDerWaalsContact O-CG 3.27Å; L231-R235 WeakPolarHBondContact O-CG 3.48Å; L231-R235 PolarHBondContact O-N 3.1Å; L232-R235 PolarHBondContact O-N 3.45Å; A233-R235 PolarHBondContact O-N 3.11Å; R235-I237 VanDerWaalsContact C-N 3.29Å; R235-I237 HydrophobicContact CB-CD1 3.83Å; R235-I237 HydrophobicContact CB-CG1 3.67Å; R235-I237 PolarHBondContact O-N 2.94Å |
| 236 | G | 90.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 30.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | L232 A233 L238 | L232-G236 PolarHBondContact O-N 2.79Å; A233-G236 PolarHBondContact O-N 3.33Å; A233-G236 VanDerWaalsContact O-N 3.07Å; G236-L238 PolarHBondContact O-N 3.04Å |
| 237 | I | 88.2 | Confident | 94.3 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | trans | -75 | 96.1 | -167.1 | -55.5 | -66 | 0 | 0 | 0 | 111.2 | L205 L210 L232 R235 L241 W272 | L205-I237 HydrophobicContact CD2-CD1 3.8Å; L205-I237 HydrophobicContact CD2-CG1 3.75Å; L210-I237 HydrophobicContact CD1-CG2 3.93Å; L210-I237 HydrophobicContact CD2-CG2 4.05Å; L232-I237 HydrophobicContact CD2-CB 4.07Å; L232-I237 HydrophobicContact CD2-CG1 4.47Å; L232-I237 HydrophobicContact CD2-CG2 4.28Å; L232-I237 PolarHBondContact O-N 2.93Å; R235-I237 VanDerWaalsContact C-N 3.29Å; R235-I237 HydrophobicContact CB-CD1 3.83Å; R235-I237 HydrophobicContact CB-CG1 3.67Å; R235-I237 PolarHBondContact O-N 2.94Å; I237-L241 HydrophobicContact CG2-CD1 4.31Å; I237-L241 HydrophobicContact CG2-CG 4.28Å; I237-L241 WeakPolarHBondContact O-CD1 3.32Å; I237-W272 PolarHBondContact O-NE1 3.46Å | ||
| 238 | L | 90.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | trans | -118.1 | -53.5 | 178.7 | -179.5 | 61.7 | 0 | 0 | 0 | 112.9 | G236 L241 R246 W272 T276 R286 | G236-L238 PolarHBondContact O-N 3.04Å; L238-L241 PolarHBondContact O-N 3.45Å; L238-R246 HydrophobicContact CD1-CG 4.16Å; L238-R246 PolarHBondContact O-NE 3.48Å; L238-W272 HydrophobicContact CB-CG 4.24Å; L238-W272 HydrophobicContact CD1-CB 4.47Å; L238-W272 HydrophobicContact CD1-CD2 3.69Å; L238-W272 HydrophobicContact CD1-CE3 3.9Å; L238-W272 HydrophobicContact CD1-CG 3.96Å; L238-W272 HydrophobicContact CD1-CZ2 4.46Å; L238-W272 HydrophobicContact CD1-CZ3 4.36Å; L238-W272 HydrophobicContact CD2-CB 4.33Å; L238-W272 HydrophobicContact CD2-CG 4.48Å; L238-W272 HydrophobicContact CG-CG 4.45Å; L238-T276 HydrophobicContact CD2-CG2 3.74Å; L238-R286 HydrophobicContact CD1-CB 4.18Å; L238-R286 HydrophobicContact CD2-CB 4.27Å; L238-R286 HydrophobicContact CD2-CG 4.21Å; L238-R286 HydrophobicContact CG-CB 4.44Å | ||
| 239 | R | 89.4 | Confident | 94.1 | Very high | 213 Ų | 213 | 59.9 Ų | 59.9 | 80% | 0.804 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -44.7 | -173.8 | -56.9 | -172.2 | -170.4 | -169.6 | 3.6 | 114.2 | L241 | R239-L241 PolarHBondContact O-N 2.83Å; R239-L241 VanDerWaalsContact O-N 3.09Å |
| 240 | P | 90.7 | Very high | 94.1 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.4 | -177.5 | -18.7 | 33.8 | 0 | 0 | 0 | 115.3 | L210 | L210-P240 HydrophobicContact CD2-CB 3.8Š|
| 241 | L | 93.3 | Very high | 94 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -100.4 | 135.2 | 174.6 | -59.7 | 171 | 0 | 0 | 0 | 108.4 | L210 V214 I237 L238 R239 K245 R246 I249 W272 | L210-L241 HydrophobicContact CD1-CD2 4.4Å; L210-L241 HydrophobicContact CD2-CD2 4.01Å; L210-L241 HydrophobicContact CG-CD2 4.33Å; V214-L241 HydrophobicContact CG2-CD2 3.79Å; I237-L241 HydrophobicContact CG2-CD1 4.31Å; I237-L241 HydrophobicContact CG2-CG 4.28Å; I237-L241 WeakPolarHBondContact O-CD1 3.32Å; L238-L241 PolarHBondContact O-N 3.45Å; R239-L241 PolarHBondContact O-N 2.83Å; R239-L241 VanDerWaalsContact O-N 3.09Å; L241-K245 HydrophobicContact CB-CB 4.34Å; L241-R246 HydrophobicContact CB-CG 3.74Å; L241-R246 HydrophobicContact CD1-CG 4.37Å; L241-R246 PolarHBondContact O-NE 3.21Å; L241-R246 PolarHBondContact O-NH2 2.84Å; L241-I249 HydrophobicContact CD1-CD1 3.81Å; L241-I249 HydrophobicContact CD2-CD1 4.21Å; L241-W272 HydrophobicContact CD1-CH2 4.49Å; L241-W272 HydrophobicContact CD1-CZ2 3.9Å |
| 242 | S | 94.1 | Very high | 94 | Very high | 62 Ų | 62 | 59.5 Ų | 59.5 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | trans | -68.1 | 159.5 | 167.5 | 58 | 0 | 0 | 0 | 0 | 110.9 | A244 K245 R246 | S242-A244 PolarHBondContact O-N 2.87Å; S242-K245 WeakPolarHBondContact O-CA 3.4Å; S242-K245 WeakPolarHBondContact O-CB 3.39Å; S242-K245 PolarHBondContact O-N 2.94Å; S242-K245 WeakPolarHBondContact OG-CG 3.47Å; S242-R246 WeakPolarHBondContact O-CG 3.42Å; S242-R246 PolarHBondContact O-N 3.2Å | ||
| 243 | I | 94.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -53.3 | -52.6 | -177.6 | -66 | 171.6 | 0 | 0 | 0 | 111 | K245 R246 I247 D288 | I243-K245 PolarHBondContact O-N 3.3Å; I243-K245 VanDerWaalsContact O-N 3.17Å; I243-R246 WeakPolarHBondContact O-CA 3.47Å; I243-R246 WeakPolarHBondContact O-CB 3.5Å; I243-R246 PolarHBondContact O-N 3.26Å; I243-I247 PolarHBondContact O-N 3.27Å; I243-D288 HydrophobicContact CG2-CB 3.46Å; I243-D288 VanDerWaalsContact CG2-CB 3.46Å |
| 244 | A | 94 | Very high | 94.1 | Very high | 73 Ų | 73 | 59.8 Ų | 59.8 | 60% | 0.603 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -56.1 | -33.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S242 R248 | S242-A244 PolarHBondContact O-N 2.87Å; A244-R248 VanDerWaalsContact O-CB 3.23Å; A244-R248 WeakPolarHBondContact O-CB 3.26Å; A244-R248 PolarHBondContact O-N 3.23Å |
| 245 | K | 95.3 | Very high | 94.2 | Very high | 113 Ų | 113 | 59.9 Ų | 59.9 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.7 | -39 | 173.7 | -73.3 | 174.5 | -177.2 | 168.8 | 0 | 111.7 | L241 S242 I243 I249 | L241-K245 HydrophobicContact CB-CB 4.34Å; S242-K245 WeakPolarHBondContact O-CA 3.4Å; S242-K245 WeakPolarHBondContact O-CB 3.39Å; S242-K245 PolarHBondContact O-N 2.94Å; S242-K245 WeakPolarHBondContact OG-CG 3.47Å; I243-K245 PolarHBondContact O-N 3.3Å; I243-K245 VanDerWaalsContact O-N 3.17Å; K245-I249 WeakPolarHBondContact O-CB 3.43Å; K245-I249 VanDerWaalsContact O-CD1 3.29Å; K245-I249 WeakPolarHBondContact O-CD1 3.44Å; K245-I249 WeakPolarHBondContact O-CG1 3.44Å; K245-I249 PolarHBondContact O-N 2.95Å |
| 246 | R | 97 | Very high | 94.5 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 6% | 0.064 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 176.2 | -60.8 | 165.9 | -167 | 147.2 | 11.8 | 111 | L238 L241 S242 I243 I249 L250 W272 R286 L287 | L238-R246 HydrophobicContact CD1-CG 4.16Å; L238-R246 PolarHBondContact O-NE 3.48Å; L241-R246 HydrophobicContact CB-CG 3.74Å; L241-R246 HydrophobicContact CD1-CG 4.37Å; L241-R246 PolarHBondContact O-NE 3.21Å; L241-R246 PolarHBondContact O-NH2 2.84Å; S242-R246 WeakPolarHBondContact O-CG 3.42Å; S242-R246 PolarHBondContact O-N 3.2Å; I243-R246 WeakPolarHBondContact O-CA 3.47Å; I243-R246 WeakPolarHBondContact O-CB 3.5Å; I243-R246 PolarHBondContact O-N 3.26Å; R246-I249 PolarHBondContact O-N 2.94Å; R246-L250 PolarHBondContact O-N 2.88Å; R246-L250 VanDerWaalsContact O-N 3.09Å; R246-W272 HydrophobicContact CB-CH2 3.89Å; R246-W272 HydrophobicContact CB-CZ3 4Å; R246-W272 HydrophobicContact CG-CH2 4.17Å; R246-W272 HydrophobicContact CG-CZ3 4.48Å; R246-R286 WeakPolarHBondContact CD-O 3.45Å; R246-R286 PolarHBondContact NH1-O 3.47Å; R246-L287 HydrophobicContact CB-CD2 4.1Å |
| 247 | I | 96 | Very high | 94.7 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.8 | -52.4 | 174.9 | -83.6 | -59.7 | 0 | 0 | 0 | 110.7 | I243 I249 L250 Q251 L287 D292 T295 | I243-I247 PolarHBondContact O-N 3.27Å; I247-I249 VanDerWaalsContact C-N 3.34Å; I247-I249 PolarHBondContact O-N 2.86Å; I247-L250 PolarHBondContact O-N 3.02Å; I247-L250 VanDerWaalsContact O-N 3.09Å; I247-Q251 HydrophobicContact CG2-CG 4.1Å; I247-Q251 VanDerWaalsContact CG2-NE2 3.35Å; I247-Q251 WeakPolarHBondContact O-CB 3.12Å; I247-Q251 WeakPolarHBondContact O-CG 3.32Å; I247-Q251 PolarHBondContact O-N 2.84Å; I247-L287 WeakPolarHBondContact CD1-O 3.41Å; I247-L287 WeakPolarHBondContact CG1-O 3.3Å; I247-D292 HydrophobicContact CD1-CB 4.01Å; I247-D292 HydrophobicContact CG1-CB 4.43Å; I247-D292 HydrophobicContact CG2-CB 4.2Å; I247-T295 HydrophobicContact CD1-CG2 3.79Å |
| 248 | R | 95.4 | Very high | 95.1 | Very high | 134 Ų | 134 | 58.8 Ų | 58.8 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58 | -42.3 | 179.8 | -170.9 | 173.6 | -176.7 | 164.3 | 1.9 | 113.1 | R218 A244 L250 Q251 D252 | R218-R248 VanDerWaalsContact NH1-NH2 3.18Å; A244-R248 VanDerWaalsContact O-CB 3.23Å; A244-R248 WeakPolarHBondContact O-CB 3.26Å; A244-R248 PolarHBondContact O-N 3.23Å; R248-L250 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.01Å; R248-Q251 PolarHBondContact O-N 3.07Å; R248-D252 WeakPolarHBondContact O-CB 3.47Å; R248-D252 PolarHBondContact O-N 3.18Å; R248-D252 VanDerWaalsContact O-OD2 3.13Å |
| 249 | I | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.2 | -72.3 | 163.9 | 0 | 0 | 0 | 111.4 | V214 Y229 L232 L241 K245 R246 I247 G253 L268 W272 | V214-I249 HydrophobicContact CG1-CD1 3.88Å; V214-I249 HydrophobicContact CG1-CG1 4.11Å; V214-I249 HydrophobicContact CG2-CD1 3.99Å; Y229-I249 HydrophobicContact CD1-CG2 4.37Å; Y229-I249 HydrophobicContact CE1-CG2 3.67Å; Y229-I249 WeakPolarHBondContact CE1-O 3.22Å; Y229-I249 PolarHBondContact OH-O 3.08Å; L232-I249 HydrophobicContact CD1-CG2 4.24Å; L241-I249 HydrophobicContact CD1-CD1 3.81Å; L241-I249 HydrophobicContact CD2-CD1 4.21Å; K245-I249 WeakPolarHBondContact O-CB 3.43Å; K245-I249 VanDerWaalsContact O-CD1 3.29Å; K245-I249 WeakPolarHBondContact O-CD1 3.44Å; K245-I249 WeakPolarHBondContact O-CG1 3.44Å; K245-I249 PolarHBondContact O-N 2.95Å; R246-I249 PolarHBondContact O-N 2.94Å; I247-I249 VanDerWaalsContact C-N 3.34Å; I247-I249 PolarHBondContact O-N 2.86Å; I249-G253 PolarHBondContact O-N 3.36Å; I249-L268 HydrophobicContact CG2-CD2 3.72Å; I249-W272 HydrophobicContact CG2-CH2 4.32Å |
| 250 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.3 | -41.2 | 176.6 | -66.9 | -172.8 | 0 | 0 | 0 | 113 | R246 I247 R248 D252 G253 L254 T265 V269 W272 L287 T295 A299 | R246-L250 PolarHBondContact O-N 2.88Å; R246-L250 VanDerWaalsContact O-N 3.09Å; I247-L250 PolarHBondContact O-N 3.02Å; I247-L250 VanDerWaalsContact O-N 3.09Å; R248-L250 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.01Å; L250-D252 PolarHBondContact O-N 2.82Å; L250-G253 PolarHBondContact O-N 3.07Å; L250-L254 HydrophobicContact CB-CD1 4.23Å; L250-L254 WeakPolarHBondContact O-CB 3.35Å; L250-L254 VanDerWaalsContact O-CG 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.48Å; L250-L254 PolarHBondContact O-N 3.03Å; L250-T265 HydrophobicContact CD2-CG2 3.96Å; L250-V269 HydrophobicContact CD1-CG2 4.47Å; L250-V269 HydrophobicContact CD2-CG2 3.64Å; L250-W272 HydrophobicContact CD1-CE3 4.22Å; L250-W272 HydrophobicContact CD1-CZ3 3.73Å; L250-W272 HydrophobicContact CD2-CE3 4.3Å; L250-W272 HydrophobicContact CD2-CH2 4.33Å; L250-W272 HydrophobicContact CD2-CZ3 3.8Å; L250-W272 HydrophobicContact CG-CE3 4.42Å; L250-W272 HydrophobicContact CG-CH2 4.25Å; L250-W272 HydrophobicContact CG-CZ3 3.62Å; L250-L287 HydrophobicContact CD1-CD1 3.94Å; L250-L287 HydrophobicContact CD1-CD2 3.71Å; L250-L287 HydrophobicContact CD1-CG 4.48Å; L250-T295 HydrophobicContact CB-CG2 3.57Å; L250-A299 HydrophobicContact CD1-CB 4Å |
| 251 | Q | 96 | Very high | 96.2 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -51.2 | -57.2 | 171.5 | -78.2 | 175.6 | -9 | 0 | 0 | 110.1 | I247 R248 S255 D292 T295 | I247-Q251 HydrophobicContact CG2-CG 4.1Å; I247-Q251 VanDerWaalsContact CG2-NE2 3.35Å; I247-Q251 WeakPolarHBondContact O-CB 3.12Å; I247-Q251 WeakPolarHBondContact O-CG 3.32Å; I247-Q251 PolarHBondContact O-N 2.84Å; R248-Q251 PolarHBondContact O-N 3.07Å; Q251-S255 WeakPolarHBondContact O-CB 3.47Å; Q251-S255 PolarHBondContact O-N 2.9Å; Q251-S255 PolarHBondContact O-OG 2.99Å; Q251-D292 PolarHBondContact NE2-OD2 3.37Å; Q251-T295 HydrophobicContact CG-CG2 4.1Å; Q251-T295 WeakPolarHBondContact CG-OG1 3.3Å |
| 252 | D | 96.3 | Very high | 96.5 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.7 | -51.2 | -179.9 | -68.5 | -29.4 | 0 | 0 | 0 | 111.3 | R218 Y229 R248 L250 D256 | R218-D252 IonicContact CZ-OD1 3.05Å; R218-D252 IonicContact CZ-OD2 2.76Å; R218-D252 VanDerWaalsContact NE-CG 3.28Å; R218-D252 IonicContact NE-OD1 3.39Å; R218-D252 PolarHBondContact NE-OD1 3.13Å; R218-D252 IonicContact NE-OD2 3.12Å; R218-D252 PolarHBondContact NE-OD2 3.08Å; R218-D252 VanDerWaalsContact NH2-CG 3.32Å; R218-D252 IonicContact NH2-OD1 3.94Å; R218-D252 PolarHBondContact NH2-OD1 3.43Å; R218-D252 IonicContact NH2-OD2 2.76Å; R218-D252 PolarHBondContact NH2-OD2 2.72Å; R218-D252 VanDerWaalsContact NH2-OD2 3.14Å; Y229-D252 WeakPolarHBondContact OH-CB 3.29Å; R248-D252 WeakPolarHBondContact O-CB 3.47Å; R248-D252 PolarHBondContact O-N 3.18Å; R248-D252 VanDerWaalsContact O-OD2 3.13Å; L250-D252 PolarHBondContact O-N 2.82Å; D252-D256 WeakPolarHBondContact O-CA 3.48Å; D252-D256 WeakPolarHBondContact O-CB 3.25Å; D252-D256 PolarHBondContact O-N 3.3Å; D252-D256 VanDerWaalsContact O-N 3.11Å |
| 253 | G | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.5 | -32.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y229 I249 L250 D256 R262 T265 | Y229-G253 VanDerWaalsContact CZ-CA 3.46Å; Y229-G253 WeakPolarHBondContact OH-CA 3.4Å; Y229-G253 PolarHBondContact OH-N 3.46Å; Y229-G253 VanDerWaalsContact OH-N 3.08Å; I249-G253 PolarHBondContact O-N 3.36Å; L250-G253 PolarHBondContact O-N 3.07Å; G253-D256 WeakPolarHBondContact O-CB 3.29Å; G253-R262 WeakPolarHBondContact O-CA 3.47Å; G253-T265 VanDerWaalsContact C-OG1 3.3Å; G253-T265 WeakPolarHBondContact CA-OG1 3.43Å; G253-T265 PolarHBondContact O-OG1 2.99Å |
| 254 | L | 97.5 | Very high | 96.8 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -82.2 | -29.5 | 178 | -60.7 | 176.9 | 0 | 0 | 0 | 112.4 | L250 R262 T265 K266 V269 K298 A299 | L250-L254 HydrophobicContact CB-CD1 4.23Å; L250-L254 WeakPolarHBondContact O-CB 3.35Å; L250-L254 VanDerWaalsContact O-CG 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.48Å; L250-L254 PolarHBondContact O-N 3.03Å; L254-R262 WeakPolarHBondContact O-CD 3.44Å; L254-T265 HydrophobicContact CD2-CG2 3.66Å; L254-T265 HydrophobicContact CG-CG2 3.83Å; L254-K266 HydrophobicContact CD2-CG 4.16Å; L254-V269 HydrophobicContact CD2-CG2 4.46Å; L254-K298 HydrophobicContact CD1-CB 3.95Å; L254-A299 HydrophobicContact CD1-CB 4.48Å |
| 255 | S | 95.7 | Very high | 97.1 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 62% | 0.622 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -92.5 | 8.9 | 173.2 | 74.1 | 0 | 0 | 0 | 0 | 114.5 | Q251 | Q251-S255 WeakPolarHBondContact O-CB 3.47Å; Q251-S255 PolarHBondContact O-N 2.9Å; Q251-S255 PolarHBondContact O-OG 2.99Å |
| 256 | D | 97.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | trans | -60.5 | 154.1 | -176 | -159.1 | -80.4 | 0 | 0 | 0 | 113.4 | R225 D252 G253 S258 V261 R262 | R225-D256 IonicContact CZ-OD1 2.67Å; R225-D256 IonicContact CZ-OD2 3.53Å; R225-D256 IonicContact NH1-OD1 3.29Å; R225-D256 PolarHBondContact NH1-OD1 2.9Å; R225-D256 IonicContact NH1-OD2 3.28Å; R225-D256 PolarHBondContact NH1-OD2 3Å; R225-D256 IonicContact NH2-OD1 2.66Å; D252-D256 WeakPolarHBondContact O-CA 3.48Å; D252-D256 WeakPolarHBondContact O-CB 3.25Å; D252-D256 PolarHBondContact O-N 3.3Å; D252-D256 VanDerWaalsContact O-N 3.11Å; G253-D256 WeakPolarHBondContact O-CB 3.29Å; D256-S258 PolarHBondContact OD1-N 3.28Å; D256-V261 HydrophobicContact CB-CB 4.19Å; D256-V261 HydrophobicContact CB-CG1 3.79Å; D256-V261 WeakPolarHBondContact OD2-CG1 3.48Å; D256-R262 HydrophobicContact CB-CG 4.01Å; D256-R262 WeakPolarHBondContact O-CD 3.41Å; D256-R262 WeakPolarHBondContact O-CG 3.42Å; D256-R262 PolarHBondContact O-NH1 3.4Å | ||
| 257 | R | 94.5 | Very high | 97.2 | Very high | 181 Ų | 181 | 54.3 Ų | 54.3 | 68% | 0.683 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -72 | -38.7 | 177.7 | -59.5 | -177.5 | -174.5 | -176.7 | 2.3 | 112.7 | R262 | R257-R262 VanDerWaalsContact C-NH1 3.31Å; R257-R262 PolarHBondContact O-NH1 2.98Å |
| 258 | S | 97.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | trans | -81.4 | 132.6 | 178.5 | 150.3 | 0 | 0 | 0 | 0 | 111.4 | D222 D256 E260 V261 R262 | D222-S258 WeakPolarHBondContact OD2-CB 3.34Å; D256-S258 PolarHBondContact OD1-N 3.28Å; S258-E260 VanDerWaalsContact C-N 3.32Å; S258-E260 PolarHBondContact OG-N 3.48Å; S258-E260 PolarHBondContact OG-OE2 3.39Å; S258-V261 PolarHBondContact O-N 2.94Å; S258-V261 WeakPolarHBondContact OG-CG2 3.14Å; S258-V261 PolarHBondContact OG-N 3.39Å; S258-V261 VanDerWaalsContact OG-N 3.09Å; S258-R262 WeakPolarHBondContact O-CG 3.32Å; S258-R262 PolarHBondContact O-N 2.83Å | ||
| 259 | E | 97.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 47.2 Ų | 47.2 | 60% | 0.603 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.4 | -36.3 | 175.3 | -165.4 | -170.6 | 129 | 0 | 0 | 111.8 | V261 R262 K263 | E259-V261 VanDerWaalsContact C-N 3.26Å; E259-V261 PolarHBondContact O-N 3.47Å; E259-R262 PolarHBondContact O-N 2.94Å; E259-K263 VanDerWaalsContact O-CB 3.26Å; E259-K263 WeakPolarHBondContact O-CB 3.42Å; E259-K263 PolarHBondContact O-N 3.46Å |
| 260 | E | 97.7 | Very high | 97.4 | Very high | 113 Ų | 113 | 49.1 Ų | 49.1 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -30 | 177.8 | -50.8 | 91.9 | 149.7 | 0 | 0 | 112.2 | R226 S258 A264 | R226-E260 HydrophobicContact CG-CB 4.36Å; S258-E260 VanDerWaalsContact C-N 3.32Å; S258-E260 PolarHBondContact OG-N 3.48Å; S258-E260 PolarHBondContact OG-OE2 3.39Å; E260-A264 WeakPolarHBondContact O-CB 3.38Å; E260-A264 PolarHBondContact O-N 3.25Å |
| 261 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.5 | -45 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | D222 R225 R226 Y229 D256 S258 E259 K263 A264 T265 | D222-V261 WeakPolarHBondContact O-CG2 3.09Å; R225-V261 HydrophobicContact CB-CG1 4.29Å; R225-V261 HydrophobicContact CB-CG2 4.07Å; R226-V261 HydrophobicContact CB-CG2 3.84Å; Y229-V261 HydrophobicContact CD2-CG1 3.77Å; Y229-V261 HydrophobicContact CE2-CG1 3.77Å; D256-V261 HydrophobicContact CB-CB 4.19Å; D256-V261 HydrophobicContact CB-CG1 3.79Å; D256-V261 WeakPolarHBondContact OD2-CG1 3.48Å; S258-V261 PolarHBondContact O-N 2.94Å; S258-V261 WeakPolarHBondContact OG-CG2 3.14Å; S258-V261 PolarHBondContact OG-N 3.39Å; S258-V261 VanDerWaalsContact OG-N 3.09Å; E259-V261 VanDerWaalsContact C-N 3.26Å; E259-V261 PolarHBondContact O-N 3.47Å; V261-K263 VanDerWaalsContact C-N 3.29Å; V261-K263 PolarHBondContact O-N 3.28Å; V261-A264 PolarHBondContact O-N 3.12Å; V261-T265 PolarHBondContact O-N 3.38Å; V261-T265 PolarHBondContact O-OG1 2.98Å |
| 262 | R | 98.4 | Very high | 97.5 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54 | -48 | 170.6 | -68 | -169 | -59.1 | -85.3 | 1.5 | 110.9 | G253 L254 D256 R257 S258 E259 A264 T265 K266 | G253-R262 WeakPolarHBondContact O-CA 3.47Å; L254-R262 WeakPolarHBondContact O-CD 3.44Å; D256-R262 HydrophobicContact CB-CG 4.01Å; D256-R262 WeakPolarHBondContact O-CD 3.41Å; D256-R262 WeakPolarHBondContact O-CG 3.42Å; D256-R262 PolarHBondContact O-NH1 3.4Å; R257-R262 VanDerWaalsContact C-NH1 3.31Å; R257-R262 PolarHBondContact O-NH1 2.98Å; S258-R262 WeakPolarHBondContact O-CG 3.32Å; S258-R262 PolarHBondContact O-N 2.83Å; E259-R262 PolarHBondContact O-N 2.94Å; R262-A264 PolarHBondContact O-N 3.01Å; R262-T265 CarbonylContact O-C 3.56Å; R262-T265 WeakPolarHBondContact O-CA 3.09Å; R262-T265 WeakPolarHBondContact O-CB 3.19Å; R262-T265 PolarHBondContact O-N 3.29Å; R262-K266 WeakPolarHBondContact O-CG 3.45Å; R262-K266 PolarHBondContact O-N 2.99Å |
| 263 | K | 98 | Very high | 97.5 | Very high | 126 Ų | 126 | 45.1 Ų | 45.1 | 55% | 0.548 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 177.3 | -171.5 | 166.9 | -171.8 | 161.4 | 0 | 113.1 | E259 V261 T265 K266 E267 | E259-K263 VanDerWaalsContact O-CB 3.26Å; E259-K263 WeakPolarHBondContact O-CB 3.42Å; E259-K263 PolarHBondContact O-N 3.46Å; V261-K263 VanDerWaalsContact C-N 3.29Å; V261-K263 PolarHBondContact O-N 3.28Å; K263-T265 PolarHBondContact O-N 3.24Å; K263-K266 PolarHBondContact O-N 3.5Å; K263-E267 WeakPolarHBondContact O-CG 3.12Å; K263-E267 PolarHBondContact O-N 3.34Å |
| 264 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -28.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R226 K230 E260 V261 R262 L268 | R226-A264 HydrophobicContact CG-CB 3.94Å; K230-A264 HydrophobicContact CG-CB 3.96Å; E260-A264 WeakPolarHBondContact O-CB 3.38Å; E260-A264 PolarHBondContact O-N 3.25Å; V261-A264 PolarHBondContact O-N 3.12Å; R262-A264 PolarHBondContact O-N 3.01Å; A264-L268 PolarHBondContact O-N 3.19Å; A264-L268 VanDerWaalsContact O-N 3.15Å |
| 265 | T | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -78.2 | -34.8 | 174 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | Y229 L250 G253 L254 V261 R262 K263 E267 L268 V269 | Y229-T265 HydrophobicContact CD1-CG2 4.03Å; Y229-T265 VanDerWaalsContact CD1-OG1 3.29Å; Y229-T265 WeakPolarHBondContact CD1-OG1 3.3Å; Y229-T265 HydrophobicContact CE1-CG2 3.9Å; Y229-T265 WeakPolarHBondContact CE1-OG1 3.44Å; L250-T265 HydrophobicContact CD2-CG2 3.96Å; G253-T265 VanDerWaalsContact C-OG1 3.3Å; G253-T265 WeakPolarHBondContact CA-OG1 3.43Å; G253-T265 PolarHBondContact O-OG1 2.99Å; L254-T265 HydrophobicContact CD2-CG2 3.66Å; L254-T265 HydrophobicContact CG-CG2 3.83Å; V261-T265 PolarHBondContact O-N 3.38Å; V261-T265 PolarHBondContact O-OG1 2.98Å; R262-T265 CarbonylContact O-C 3.56Å; R262-T265 WeakPolarHBondContact O-CA 3.09Å; R262-T265 WeakPolarHBondContact O-CB 3.19Å; R262-T265 PolarHBondContact O-N 3.29Å; K263-T265 PolarHBondContact O-N 3.24Å; T265-E267 VanDerWaalsContact C-N 3.3Å; T265-E267 PolarHBondContact O-N 3.1Å; T265-L268 WeakPolarHBondContact O-CA 3.34Å; T265-L268 VanDerWaalsContact O-CB 3.32Å; T265-L268 WeakPolarHBondContact O-CB 3.48Å; T265-L268 PolarHBondContact O-N 2.8Å; T265-V269 PolarHBondContact O-N 3.3Å |
| 266 | K | 98.2 | Very high | 97.2 | Very high | 51 Ų | 51 | 46 Ų | 46 | 22% | 0.222 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 169.8 | -61.1 | -164 | 176.6 | 178.6 | 0 | 112 | L254 R262 K263 L268 V269 L270 S302 E305 M306 | L254-K266 HydrophobicContact CD2-CG 4.16Å; R262-K266 WeakPolarHBondContact O-CG 3.45Å; R262-K266 PolarHBondContact O-N 2.99Å; K263-K266 PolarHBondContact O-N 3.5Å; K266-L268 VanDerWaalsContact C-N 3.34Å; K266-V269 PolarHBondContact O-N 3.11Å; K266-L270 PolarHBondContact O-N 3.17Å; K266-L270 VanDerWaalsContact O-N 3.1Å; K266-S302 WeakPolarHBondContact CE-OG 3.33Å; K266-E305 IonicContact NZ-OE2 2.76Å; K266-E305 PolarHBondContact NZ-OE2 3.24Å; K266-M306 HydrophobicContact CB-CG 3.71Å; K266-M306 HydrophobicContact CB-SD 3.9Å |
| 267 | E | 97.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 168.4 | -67.9 | 172.2 | -149.6 | 0 | 0 | 112.7 | K230 A233 K263 T265 A271 M306 | K230-E267 IonicContact NZ-OE1 3.67Å; K230-E267 PolarHBondContact NZ-OE1 2.76Å; K230-E267 IonicContact NZ-OE2 2.73Å; K230-E267 PolarHBondContact NZ-OE2 3.01Å; A233-E267 HydrophobicContact CB-CB 4.44Å; K263-E267 WeakPolarHBondContact O-CG 3.12Å; K263-E267 PolarHBondContact O-N 3.34Å; T265-E267 VanDerWaalsContact C-N 3.3Å; T265-E267 PolarHBondContact O-N 3.1Å; E267-A271 WeakPolarHBondContact O-CB 3.24Å; E267-A271 PolarHBondContact O-N 3.04Å; E267-M306 HydrophobicContact CG-CE 4.17Å |
| 268 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -44.5 | 174.8 | 178.5 | 63.1 | 0 | 0 | 0 | 112.3 | Y229 L232 A233 I249 A264 T265 K266 L270 A271 W272 | Y229-L268 HydrophobicContact CD1-CD2 3.89Å; Y229-L268 HydrophobicContact CE1-CD2 4.36Å; L232-L268 HydrophobicContact CB-CD1 3.65Å; L232-L268 HydrophobicContact CB-CD2 4.24Å; L232-L268 HydrophobicContact CD1-CD2 4.31Å; A233-L268 HydrophobicContact CB-CB 4.1Å; A233-L268 HydrophobicContact CB-CD1 4.18Å; I249-L268 HydrophobicContact CG2-CD2 3.72Å; A264-L268 PolarHBondContact O-N 3.19Å; A264-L268 VanDerWaalsContact O-N 3.15Å; T265-L268 WeakPolarHBondContact O-CA 3.34Å; T265-L268 VanDerWaalsContact O-CB 3.32Å; T265-L268 WeakPolarHBondContact O-CB 3.48Å; T265-L268 PolarHBondContact O-N 2.8Å; K266-L268 VanDerWaalsContact C-N 3.34Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 PolarHBondContact O-N 3.33Å; L268-A271 WeakPolarHBondContact O-CB 3.5Å; L268-A271 PolarHBondContact O-N 3.14Å; L268-A271 VanDerWaalsContact O-N 3.15Å; L268-W272 HydrophobicContact CD1-CD2 4.32Å; L268-W272 HydrophobicContact CD1-CG 4.44Å; L268-W272 HydrophobicContact CD1-CZ2 4.08Å; L268-W272 HydrophobicContact CD2-CH2 4.28Å; L268-W272 HydrophobicContact CD2-CZ2 3.91Å; L268-W272 HydrophobicContact CG-CD2 4.24Å; L268-W272 HydrophobicContact CG-CZ2 4.08Å; L268-W272 PolarHBondContact O-N 3.39Å |
| 269 | V | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L250 L254 T265 K266 A271 W272 F273 A299 L303 | L250-V269 HydrophobicContact CD1-CG2 4.47Å; L250-V269 HydrophobicContact CD2-CG2 3.64Å; L254-V269 HydrophobicContact CD2-CG2 4.46Å; T265-V269 PolarHBondContact O-N 3.3Å; K266-V269 PolarHBondContact O-N 3.11Å; V269-A271 VanDerWaalsContact C-N 3.33Å; V269-A271 PolarHBondContact O-N 3.31Å; V269-W272 PolarHBondContact O-N 3.31Å; V269-F273 WeakPolarHBondContact O-CB 3.39Å; V269-F273 PolarHBondContact O-N 2.97Å; V269-A299 WeakPolarHBondContact CG1-O 3.26Å; V269-L303 HydrophobicContact CG1-CB 4.01Å |
| 270 | L | 97.4 | Very high | 96.8 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.2 | -177.3 | 62.2 | 0 | 0 | 0 | 112.1 | K266 L268 F273 N274 L303 M306 L307 | K266-L270 PolarHBondContact O-N 3.17Å; K266-L270 VanDerWaalsContact O-N 3.1Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 PolarHBondContact O-N 3.33Å; L270-F273 HydrophobicContact CD1-CD1 4.37Å; L270-N274 PolarHBondContact O-N 3.43Å; L270-N274 VanDerWaalsContact O-N 3.08Å; L270-N274 PolarHBondContact O-ND2 3.41Å; L270-L303 HydrophobicContact CD1-CD1 3.98Å; L270-M306 HydrophobicContact CD2-CB 4.46Å; L270-M306 HydrophobicContact CD2-CE 4.02Å; L270-L307 HydrophobicContact CD1-CD2 3.92Å |
| 271 | A | 97.3 | Very high | 96.7 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A233 E267 L268 V269 G275 | A233-A271 HydrophobicContact CB-CB 4.2Å; A233-A271 VanDerWaalsContact O-CB 3.28Å; A233-A271 WeakPolarHBondContact O-CB 3.39Å; E267-A271 WeakPolarHBondContact O-CB 3.24Å; E267-A271 PolarHBondContact O-N 3.04Å; L268-A271 WeakPolarHBondContact O-CB 3.5Å; L268-A271 PolarHBondContact O-N 3.14Å; L268-A271 VanDerWaalsContact O-N 3.15Å; V269-A271 VanDerWaalsContact C-N 3.33Å; V269-A271 PolarHBondContact O-N 3.31Å; A271-G275 PolarHBondContact O-N 3.18Å |
| 272 | W | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 175.4 | -72.6 | -5.3 | 0 | 0 | 0 | 112.3 | I237 L238 L241 R246 I249 L250 L268 V269 N274 G275 T276 L283 L287 | I237-W272 PolarHBondContact O-NE1 3.46Å; L238-W272 HydrophobicContact CB-CG 4.24Å; L238-W272 HydrophobicContact CD1-CB 4.47Å; L238-W272 HydrophobicContact CD1-CD2 3.69Å; L238-W272 HydrophobicContact CD1-CE3 3.9Å; L238-W272 HydrophobicContact CD1-CG 3.96Å; L238-W272 HydrophobicContact CD1-CZ2 4.46Å; L238-W272 HydrophobicContact CD1-CZ3 4.36Å; L238-W272 HydrophobicContact CD2-CB 4.33Å; L238-W272 HydrophobicContact CD2-CG 4.48Å; L238-W272 HydrophobicContact CG-CG 4.45Å; L241-W272 HydrophobicContact CD1-CH2 4.49Å; L241-W272 HydrophobicContact CD1-CZ2 3.9Å; R246-W272 HydrophobicContact CB-CH2 3.89Å; R246-W272 HydrophobicContact CB-CZ3 4Å; R246-W272 HydrophobicContact CG-CH2 4.17Å; R246-W272 HydrophobicContact CG-CZ3 4.48Å; I249-W272 HydrophobicContact CG2-CH2 4.32Å; L250-W272 HydrophobicContact CD1-CE3 4.22Å; L250-W272 HydrophobicContact CD1-CZ3 3.73Å; L250-W272 HydrophobicContact CD2-CE3 4.3Å; L250-W272 HydrophobicContact CD2-CH2 4.33Å; L250-W272 HydrophobicContact CD2-CZ3 3.8Å; L250-W272 HydrophobicContact CG-CE3 4.42Å; L250-W272 HydrophobicContact CG-CH2 4.25Å; L250-W272 HydrophobicContact CG-CZ3 3.62Å; L268-W272 HydrophobicContact CD1-CD2 4.32Å; L268-W272 HydrophobicContact CD1-CG 4.44Å; L268-W272 HydrophobicContact CD1-CZ2 4.08Å; L268-W272 HydrophobicContact CD2-CH2 4.28Å; L268-W272 HydrophobicContact CD2-CZ2 3.91Å; L268-W272 HydrophobicContact CG-CD2 4.24Å; L268-W272 HydrophobicContact CG-CZ2 4.08Å; L268-W272 PolarHBondContact O-N 3.39Å; V269-W272 PolarHBondContact O-N 3.31Å; W272-N274 PolarHBondContact O-N 2.88Å; W272-G275 CarbonylContact O-C 3.31Å; W272-G275 WeakPolarHBondContact O-CA 3.25Å; W272-G275 PolarHBondContact O-N 2.92Å; W272-T276 PolarHBondContact O-N 3.1Å; W272-L283 HydrophobicContact CB-CD1 3.9Å; W272-L287 HydrophobicContact CE3-CD2 4.1Å; W272-L287 HydrophobicContact CZ3-CD2 3.85Å |
| 273 | F | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 174.3 | 176.4 | -110.7 | 0 | 0 | 0 | 113 | V269 L270 G275 T276 R278 P280 L283 L303 L307 V315 | V269-F273 WeakPolarHBondContact O-CB 3.39Å; V269-F273 PolarHBondContact O-N 2.97Å; L270-F273 HydrophobicContact CD1-CD1 4.37Å; F273-G275 VanDerWaalsContact C-N 3.26Å; F273-G275 PolarHBondContact O-N 3.14Å; F273-T276 PolarHBondContact O-N 3.13Å; F273-T276 PolarHBondContact O-OG1 3.03Å; F273-T276 VanDerWaalsContact O-OG1 3.08Å; F273-R278 HydrophobicContact CD1-CB 4.44Å; F273-R278 HydrophobicContact CD1-CG 4.25Å; F273-R278 HydrophobicContact CE1-CB 3.7Å; F273-R278 HydrophobicContact CE1-CG 3.77Å; F273-R278 VanDerWaalsContact CE2-C 3.44Å; F273-R278 HydrophobicContact CE2-CB 4.31Å; F273-R278 WeakPolarHBondContact CE2-O 3.13Å; F273-R278 VanDerWaalsContact CZ-CA 3.49Å; F273-R278 HydrophobicContact CZ-CB 3.62Å; F273-R278 HydrophobicContact CZ-CG 4.24Å; F273-R278 WeakPolarHBondContact CZ-O 3.5Å; F273-R278 WeakPolarHBondContact O-CA 3.3Å; F273-R278 PolarHBondContact O-N 3.09Å; F273-P280 HydrophobicContact CE2-CB 4.15Å; F273-L283 HydrophobicContact CB-CD2 4.04Å; F273-L283 HydrophobicContact CD2-CD2 4.18Å; F273-L303 HydrophobicContact CB-CD1 3.85Å; F273-L303 HydrophobicContact CB-CD2 4.22Å; F273-L303 HydrophobicContact CD1-CD1 3.78Å; F273-L303 HydrophobicContact CD1-CD2 4.37Å; F273-L303 HydrophobicContact CD2-CD1 4.41Å; F273-L303 HydrophobicContact CD2-CD2 3.59Å; F273-L303 HydrophobicContact CE1-CD1 4.44Å; F273-L303 HydrophobicContact CE2-CD2 3.98Å; F273-L303 HydrophobicContact CG-CD1 3.75Å; F273-L303 HydrophobicContact CG-CD2 3.8Å; F273-L303 HydrophobicContact CG-CG 4.43Å; F273-L307 HydrophobicContact CE1-CD1 4.34Å; F273-L307 HydrophobicContact CE1-CD2 4.48Å; F273-V315 HydrophobicContact CE1-CG2 4Å; F273-V315 HydrophobicContact CE2-CG1 4.39Å; F273-V315 HydrophobicContact CZ-CB 4.4Å; F273-V315 HydrophobicContact CZ-CG1 3.79Å; F273-V315 HydrophobicContact CZ-CG2 3.64Å |
| 274 | N | 95.7 | Very high | 96.4 | Very high | 75 Ų | 75 | 29.7 Ų | 29.7 | 40% | 0.401 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.9 | -32 | 173.2 | -72.9 | -68.4 | 0 | 0 | 0 | 111.7 | L270 W272 T276 N277 | L270-N274 PolarHBondContact O-N 3.43Å; L270-N274 VanDerWaalsContact O-N 3.08Å; L270-N274 PolarHBondContact O-ND2 3.41Å; W272-N274 PolarHBondContact O-N 2.88Å; N274-T276 VanDerWaalsContact C-N 3.29Å; N274-T276 PolarHBondContact O-N 3.36Å; N274-N277 PolarHBondContact O-N 3.4Å |
| 275 | G | 93.5 | Very high | 96.2 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 47% | 0.474 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.4 | -15.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A271 W272 F273 | A271-G275 PolarHBondContact O-N 3.18Å; W272-G275 CarbonylContact O-C 3.31Å; W272-G275 WeakPolarHBondContact O-CA 3.25Å; W272-G275 PolarHBondContact O-N 2.92Å; F273-G275 VanDerWaalsContact C-N 3.26Å; F273-G275 PolarHBondContact O-N 3.14Å |
| 276 | T | 94.2 | Very high | 96 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 31.7 | 169.9 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | L238 W272 F273 N274 R278 D279 L282 L283 | L238-T276 HydrophobicContact CD2-CG2 3.74Å; W272-T276 PolarHBondContact O-N 3.1Å; F273-T276 PolarHBondContact O-N 3.13Å; F273-T276 PolarHBondContact O-OG1 3.03Å; F273-T276 VanDerWaalsContact O-OG1 3.08Å; N274-T276 VanDerWaalsContact C-N 3.29Å; N274-T276 PolarHBondContact O-N 3.36Å; T276-R278 PolarHBondContact O-N 3.3Å; T276-R278 VanDerWaalsContact O-N 3.12Å; T276-D279 PolarHBondContact O-N 2.92Å; T276-D279 PolarHBondContact OG1-O 3.07Å; T276-D279 VanDerWaalsContact OG1-O 3.1Å; T276-L282 HydrophobicContact CG2-CG 4.16Å; T276-L283 HydrophobicContact CG2-CB 4.45Å; T276-L283 HydrophobicContact CG2-CD1 4.48Å |
| 277 | N | 92.9 | Very high | 95.8 | Very high | 145 Ų | 145 | 38 Ų | 38 | 78% | 0.775 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 24.5 | -179.6 | -59.7 | -21.7 | 0 | 0 | 0 | 114.2 | N274 D279 | N274-N277 PolarHBondContact O-N 3.4Å; N277-D279 PolarHBondContact O-N 2.94Å |
| 278 | R | 94.6 | Very high | 95.5 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 28% | 0.275 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 16.5 | -172.8 | -56.3 | 171.8 | 61.6 | 120.8 | -4.3 | 114.9 | F273 T276 P280 | F273-R278 HydrophobicContact CD1-CB 4.44Å; F273-R278 HydrophobicContact CD1-CG 4.25Å; F273-R278 HydrophobicContact CE1-CB 3.7Å; F273-R278 HydrophobicContact CE1-CG 3.77Å; F273-R278 VanDerWaalsContact CE2-C 3.44Å; F273-R278 HydrophobicContact CE2-CB 4.31Å; F273-R278 WeakPolarHBondContact CE2-O 3.13Å; F273-R278 VanDerWaalsContact CZ-CA 3.49Å; F273-R278 HydrophobicContact CZ-CB 3.62Å; F273-R278 HydrophobicContact CZ-CG 4.24Å; F273-R278 WeakPolarHBondContact CZ-O 3.5Å; F273-R278 WeakPolarHBondContact O-CA 3.3Å; F273-R278 PolarHBondContact O-N 3.09Å; T276-R278 PolarHBondContact O-N 3.3Å; T276-R278 VanDerWaalsContact O-N 3.12Å; R278-P280 WeakPolarHBondContact O-CD 3.42Å |
| 279 | D | 95.1 | Very high | 95.3 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | trans | -82.2 | 118.7 | 165.5 | -179.5 | -7.6 | 0 | 0 | 0 | 109.6 | T276 N277 V281 L282 L283 Y323 | T276-D279 PolarHBondContact O-N 2.92Å; T276-D279 PolarHBondContact OG1-O 3.07Å; T276-D279 VanDerWaalsContact OG1-O 3.1Å; N277-D279 PolarHBondContact O-N 2.94Å; D279-V281 WeakPolarHBondContact OD1-CA 3.24Å; D279-V281 WeakPolarHBondContact OD1-CB 3.43Å; D279-V281 PolarHBondContact OD1-N 3.37Å; D279-L282 HydrophobicContact CB-CB 3.83Å; D279-L282 PolarHBondContact OD1-N 3.19Å; D279-L283 PolarHBondContact O-N 2.87Å; D279-Y323 PolarHBondContact OD2-OH 2.92Å | ||
| 280 | P | 95.8 | Very high | 95 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.4 | -26.7 | 178.3 | 31.5 | -35 | 0 | 0 | 0 | 113.3 | F273 R278 L283 L284 F342 | F273-P280 HydrophobicContact CE2-CB 4.15Å; R278-P280 WeakPolarHBondContact O-CD 3.42Å; P280-L283 WeakPolarHBondContact O-CB 3.29Å; P280-L283 PolarHBondContact O-N 2.93Å; P280-L284 WeakPolarHBondContact O-CG 3.44Å; P280-L284 PolarHBondContact O-N 3.39Å; P280-F342 HydrophobicContact CB-CD2 3.51Å; P280-F342 HydrophobicContact CB-CE2 3.39Å; P280-F342 HydrophobicContact CB-CG 4.13Å; P280-F342 HydrophobicContact CB-CZ 3.95Å; P280-F342 HydrophobicContact CG-CD1 4.05Å; P280-F342 HydrophobicContact CG-CD2 3.83Å; P280-F342 HydrophobicContact CG-CE1 3.8Å; P280-F342 HydrophobicContact CG-CE2 3.54Å; P280-F342 HydrophobicContact CG-CG 4.06Å; P280-F342 HydrophobicContact CG-CZ 3.53Å |
| 281 | V | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.4 | -41.6 | 176 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | D279 L283 L284 R285 W319 Y323 E338 A339 | D279-V281 WeakPolarHBondContact OD1-CA 3.24Å; D279-V281 WeakPolarHBondContact OD1-CB 3.43Å; D279-V281 PolarHBondContact OD1-N 3.37Å; V281-L283 VanDerWaalsContact C-N 3.26Å; V281-L283 PolarHBondContact O-N 3.36Å; V281-L284 PolarHBondContact O-N 2.94Å; V281-R285 WeakPolarHBondContact O-CB 3.4Å; V281-R285 WeakPolarHBondContact O-CG 3.45Å; V281-R285 PolarHBondContact O-N 3.25Å; V281-W319 VanDerWaalsContact CG2-NE1 3.32Å; V281-Y323 HydrophobicContact CB-CE1 4.1Å; V281-Y323 HydrophobicContact CG1-CE1 4.05Å; V281-Y323 HydrophobicContact CG2-CD1 4.26Å; V281-Y323 HydrophobicContact CG2-CE1 3.78Å; V281-Y323 HydrophobicContact CG2-CE2 4.08Å; V281-E338 HydrophobicContact CG1-CB 4.14Å; V281-A339 HydrophobicContact CG1-CB 4.05Å; V281-A339 HydrophobicContact CG2-CB 4.18Å |
| 282 | L | 94.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.2 | -27.2 | 171.8 | -173.9 | 58.4 | 0 | 0 | 0 | 113 | T276 D279 R286 | T276-L282 HydrophobicContact CG2-CG 4.16Å; D279-L282 HydrophobicContact CB-CB 3.83Å; D279-L282 PolarHBondContact OD1-N 3.19Å; L282-R286 WeakPolarHBondContact O-CG 3.45Å |
| 283 | L | 96.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -49.9 | 170.5 | 178.6 | 62.4 | 0 | 0 | 0 | 111.4 | W272 F273 T276 D279 P280 V281 R285 R286 L287 L303 | W272-L283 HydrophobicContact CB-CD1 3.9Å; F273-L283 HydrophobicContact CB-CD2 4.04Å; F273-L283 HydrophobicContact CD2-CD2 4.18Å; T276-L283 HydrophobicContact CG2-CB 4.45Å; T276-L283 HydrophobicContact CG2-CD1 4.48Å; D279-L283 PolarHBondContact O-N 2.87Å; P280-L283 WeakPolarHBondContact O-CB 3.29Å; P280-L283 PolarHBondContact O-N 2.93Å; V281-L283 VanDerWaalsContact C-N 3.26Å; V281-L283 PolarHBondContact O-N 3.36Å; L283-R285 VanDerWaalsContact C-N 3.3Å; L283-R285 PolarHBondContact O-N 3.36Å; L283-R286 WeakPolarHBondContact O-CA 3.26Å; L283-R286 WeakPolarHBondContact O-CB 3.48Å; L283-R286 PolarHBondContact O-N 3.32Å; L283-L287 HydrophobicContact CD1-CD1 4.19Å; L283-L287 HydrophobicContact CD1-CG 4.49Å; L283-L287 HydrophobicContact CG-CD1 4.05Å; L283-L287 PolarHBondContact O-N 3.15Å; L283-L303 HydrophobicContact CD2-CD2 4.25Å |
| 284 | L | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 179.2 | -69.7 | 167.7 | 0 | 0 | 0 | 112.3 | P280 V281 R286 L287 D288 P289 L300 E338 F341 F342 | P280-L284 WeakPolarHBondContact O-CG 3.44Å; P280-L284 PolarHBondContact O-N 3.39Å; V281-L284 PolarHBondContact O-N 2.94Å; L284-R286 PolarHBondContact O-N 2.88Å; L284-L287 PolarHBondContact O-N 2.88Å; L284-D288 PolarHBondContact O-N 3.43Å; L284-P289 HydrophobicContact CB-CG 4.44Å; L284-P289 HydrophobicContact CD2-CB 4.48Å; L284-L300 HydrophobicContact CD1-CD1 4.15Å; L284-L300 HydrophobicContact CD1-CD2 4.47Å; L284-L300 HydrophobicContact CD2-CD1 4.25Å; L284-L300 HydrophobicContact CD2-CD2 4.32Å; L284-L300 HydrophobicContact CD2-CG 4.22Å; L284-L300 HydrophobicContact CG-CD2 4.46Å; L284-E338 HydrophobicContact CB-CB 3.68Å; L284-E338 HydrophobicContact CB-CG 4.39Å; L284-E338 HydrophobicContact CD1-CB 4.4Å; L284-E338 VanDerWaalsContact CD1-O 3.25Å; L284-E338 WeakPolarHBondContact CD1-O 3.38Å; L284-F341 HydrophobicContact CD1-CD1 4.22Å; L284-F341 HydrophobicContact CD2-CD1 4.22Å; L284-F342 HydrophobicContact CD1-CB 3.78Å |
| 285 | R | 94.4 | Very high | 94 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -11.3 | 166.5 | -85.1 | 174.7 | 179 | 170.2 | 6.5 | 115.4 | V281 L283 T336 E338 | V281-R285 WeakPolarHBondContact O-CB 3.4Å; V281-R285 WeakPolarHBondContact O-CG 3.45Å; V281-R285 PolarHBondContact O-N 3.25Å; L283-R285 VanDerWaalsContact C-N 3.3Å; L283-R285 PolarHBondContact O-N 3.36Å; R285-T336 PolarHBondContact NH2-OG1 3.13Å; R285-E338 WeakPolarHBondContact CD-OE1 3.42Å; R285-E338 HydrophobicContact CG-CG 3.92Å; R285-E338 WeakPolarHBondContact CG-OE1 3.37Å; R285-E338 IonicContact CZ-OE1 2.76Å; R285-E338 IonicContact NE-OE1 3.89Å; R285-E338 PolarHBondContact NE-OE1 2.63Å; R285-E338 IonicContact NE-OE2 3.83Å; R285-E338 IonicContact NH2-OE1 3.6Å; R285-E338 IonicContact NH2-OE2 3.51Å |
| 286 | R | 94.9 | Very high | 94.2 | Very high | 108 Ų | 108 | 42.4 Ų | 42.4 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -4 | 173.2 | -57.1 | -59.1 | -179.9 | 178.3 | 0.2 | 112.7 | L238 R246 L282 L283 L284 | L238-R286 HydrophobicContact CD1-CB 4.18Å; L238-R286 HydrophobicContact CD2-CB 4.27Å; L238-R286 HydrophobicContact CD2-CG 4.21Å; L238-R286 HydrophobicContact CG-CB 4.44Å; R246-R286 WeakPolarHBondContact CD-O 3.45Å; R246-R286 PolarHBondContact NH1-O 3.47Å; L282-R286 WeakPolarHBondContact O-CG 3.45Å; L283-R286 WeakPolarHBondContact O-CA 3.26Å; L283-R286 WeakPolarHBondContact O-CB 3.48Å; L283-R286 PolarHBondContact O-N 3.32Å; L284-R286 PolarHBondContact O-N 2.88Å |
| 287 | L | 94.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -12.6 | -175.6 | -64.3 | -177.4 | 0 | 0 | 0 | 115 | R246 I247 L250 W272 L283 L284 A299 | R246-L287 HydrophobicContact CB-CD2 4.1Å; I247-L287 WeakPolarHBondContact CD1-O 3.41Å; I247-L287 WeakPolarHBondContact CG1-O 3.3Å; L250-L287 HydrophobicContact CD1-CD1 3.94Å; L250-L287 HydrophobicContact CD1-CD2 3.71Å; L250-L287 HydrophobicContact CD1-CG 4.48Å; W272-L287 HydrophobicContact CE3-CD2 4.1Å; W272-L287 HydrophobicContact CZ3-CD2 3.85Å; L283-L287 HydrophobicContact CD1-CD1 4.19Å; L283-L287 HydrophobicContact CD1-CG 4.49Å; L283-L287 HydrophobicContact CG-CD1 4.05Å; L283-L287 PolarHBondContact O-N 3.15Å; L284-L287 PolarHBondContact O-N 2.88Å; L287-A299 HydrophobicContact CD1-CB 4.11Å |
| 288 | D | 91.3 | Very high | 94.5 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | trans | 59.6 | 77.8 | 177.2 | 176.6 | 18.9 | 0 | 0 | 0 | 113.1 | I243 L284 E290 G291 D292 | I243-D288 HydrophobicContact CG2-CB 3.46Å; I243-D288 VanDerWaalsContact CG2-CB 3.46Å; L284-D288 PolarHBondContact O-N 3.43Å; D288-E290 PolarHBondContact O-N 3.09Å; D288-E290 PolarHBondContact OD1-N 3.31Å; D288-G291 PolarHBondContact OD1-N 3.18Å; D288-D292 PolarHBondContact O-N 3.39Å | ||
| 289 | P | 93.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -5.4 | 176.7 | 32.7 | -36.1 | 0 | 0 | 0 | 113.9 | L284 P293 S296 E338 F341 | L284-P289 HydrophobicContact CB-CG 4.44Å; L284-P289 HydrophobicContact CD2-CB 4.48Å; P289-P293 WeakPolarHBondContact O-CA 3.43Å; P289-P293 WeakPolarHBondContact O-CB 3.43Å; P289-S296 WeakPolarHBondContact CA-OG 3.47Å; P289-E338 HydrophobicContact CG-CB 4.17Å; P289-E338 HydrophobicContact CG-CG 3.97Å; P289-F341 HydrophobicContact CB-CB 4.26Å; P289-F341 HydrophobicContact CB-CD1 4.25Å; P289-F341 HydrophobicContact CB-CD2 3.72Å; P289-F341 HydrophobicContact CB-CE2 4.1Å; P289-F341 HydrophobicContact CB-CG 3.82Å |
| 290 | E | 90.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 35.2 Ų | 35.2 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -50.3 | 178.4 | -170.1 | 174.7 | 114.6 | 0 | 0 | 110.2 | D288 P293 I422 C426 | D288-E290 PolarHBondContact O-N 3.09Å; D288-E290 PolarHBondContact OD1-N 3.31Å; E290-P293 WeakPolarHBondContact O-CD 3.47Å; E290-I422 HydrophobicContact CG-CG2 4.49Å; E290-I422 WeakPolarHBondContact OE1-CG2 3.43Å; E290-C426 HydrophobicContact CG-CB 4.27Å |
| 291 | G | 90.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 62% | 0.619 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -34.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D288 | D288-G291 PolarHBondContact OD1-N 3.18Š|
| 292 | D | 90.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -136.8 | 77.8 | 170 | -171.2 | -2.5 | 0 | 0 | 0 | 112.8 | I247 Q251 D288 S294 T295 S296 | I247-D292 HydrophobicContact CD1-CB 4.01Å; I247-D292 HydrophobicContact CG1-CB 4.43Å; I247-D292 HydrophobicContact CG2-CB 4.2Å; Q251-D292 PolarHBondContact NE2-OD2 3.37Å; D288-D292 PolarHBondContact O-N 3.39Å; D292-S294 PolarHBondContact O-N 2.85Å; D292-S294 WeakPolarHBondContact OD1-CA 3.49Å; D292-S294 VanDerWaalsContact OD1-CB 3.27Å; D292-S294 WeakPolarHBondContact OD1-CB 3.23Å; D292-S294 PolarHBondContact OD1-N 3.33Å; D292-S294 PolarHBondContact OD1-OG 3.3Å; D292-T295 PolarHBondContact O-N 2.59Å; D292-T295 PolarHBondContact OD1-N 3.39Å; D292-T295 PolarHBondContact OD1-OG1 3.38Å; D292-T295 WeakPolarHBondContact OD2-CB 3.39Å; D292-T295 PolarHBondContact OD2-OG1 2.88Å; D292-S296 PolarHBondContact O-N 3.02Å; D292-S296 VanDerWaalsContact O-N 3.16Å; D292-S296 PolarHBondContact O-OG 2.81Å | ||
| 293 | P | 93.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 38% | 0.377 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.1 | -27.9 | 170.7 | 23.5 | -34.7 | 0 | 0 | 0 | 112.3 | P289 E290 T295 Q297 F341 | P289-P293 WeakPolarHBondContact O-CA 3.43Å; P289-P293 WeakPolarHBondContact O-CB 3.43Å; E290-P293 WeakPolarHBondContact O-CD 3.47Å; P293-T295 PolarHBondContact O-N 3.01Å; P293-Q297 WeakPolarHBondContact O-CB 2.98Å; P293-Q297 PolarHBondContact O-N 3.36Å; P293-F341 HydrophobicContact CB-CE2 3.69Å; P293-F341 HydrophobicContact CB-CZ 4.35Å; P293-F341 WeakPolarHBondContact O-CZ 3.49Å |
| 294 | S | 95.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69.7 | -32.6 | -175.5 | 93.3 | 0 | 0 | 0 | 0 | 112.9 | D292 K298 | D292-S294 PolarHBondContact O-N 2.85Å; D292-S294 WeakPolarHBondContact OD1-CA 3.49Å; D292-S294 VanDerWaalsContact OD1-CB 3.27Å; D292-S294 WeakPolarHBondContact OD1-CB 3.23Å; D292-S294 PolarHBondContact OD1-N 3.33Å; D292-S294 PolarHBondContact OD1-OG 3.3Å; S294-K298 WeakPolarHBondContact O-CD 3.1Å; S294-K298 WeakPolarHBondContact O-CE 3.27Å; S294-K298 VanDerWaalsContact O-CG 3.24Å; S294-K298 WeakPolarHBondContact O-CG 3.13Å; S294-K298 PolarHBondContact O-NZ 3.36Å; S294-K298 PolarHBondContact OG-NZ 3.35Å |
| 295 | T | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -90.3 | -36.3 | 178.2 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | I247 L250 Q251 D292 P293 Q297 K298 A299 | I247-T295 HydrophobicContact CD1-CG2 3.79Å; L250-T295 HydrophobicContact CB-CG2 3.57Å; Q251-T295 HydrophobicContact CG-CG2 4.1Å; Q251-T295 WeakPolarHBondContact CG-OG1 3.3Å; D292-T295 PolarHBondContact O-N 2.59Å; D292-T295 PolarHBondContact OD1-N 3.39Å; D292-T295 PolarHBondContact OD1-OG1 3.38Å; D292-T295 WeakPolarHBondContact OD2-CB 3.39Å; D292-T295 PolarHBondContact OD2-OG1 2.88Å; P293-T295 PolarHBondContact O-N 3.01Å; T295-Q297 VanDerWaalsContact C-N 3.28Å; T295-Q297 PolarHBondContact O-N 2.89Å; T295-K298 PolarHBondContact O-N 2.89Å; T295-A299 WeakPolarHBondContact O-CB 3.38Å; T295-A299 PolarHBondContact O-N 2.9Å |
| 296 | S | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 171.3 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | P289 D292 A299 L300 | P289-S296 WeakPolarHBondContact CA-OG 3.47Å; D292-S296 PolarHBondContact O-N 3.02Å; D292-S296 VanDerWaalsContact O-N 3.16Å; D292-S296 PolarHBondContact O-OG 2.81Å; S296-A299 PolarHBondContact O-N 3.25Å; S296-L300 WeakPolarHBondContact O-CG 3.46Å; S296-L300 PolarHBondContact O-N 2.93Å; S296-L300 VanDerWaalsContact O-N 3.09Å |
| 297 | Q | 96.8 | Very high | 94.7 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -53.7 | 171.8 | -174.2 | 63.3 | 51.8 | 0 | 0 | 111.8 | P293 T295 A299 L300 D301 F341 | P293-Q297 WeakPolarHBondContact O-CB 2.98Å; P293-Q297 PolarHBondContact O-N 3.36Å; T295-Q297 VanDerWaalsContact C-N 3.28Å; T295-Q297 PolarHBondContact O-N 2.89Å; Q297-A299 PolarHBondContact O-N 3.14Å; Q297-L300 PolarHBondContact O-N 3.01Å; Q297-D301 PolarHBondContact NE2-OD1 3.31Å; Q297-D301 VanDerWaalsContact O-CG 3.27Å; Q297-D301 PolarHBondContact O-N 2.81Å; Q297-F341 HydrophobicContact CB-CE1 4.49Å; Q297-F341 HydrophobicContact CB-CZ 4.05Å |
| 298 | K | 96.7 | Very high | 94.6 | Very high | 86 Ų | 86 | 35.9 Ų | 35.9 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59 | -32 | 179.8 | -67.2 | 162.1 | -163.4 | 139.5 | 0 | 112.6 | L254 S294 T295 S302 | L254-K298 HydrophobicContact CD1-CB 3.95Å; S294-K298 WeakPolarHBondContact O-CD 3.1Å; S294-K298 WeakPolarHBondContact O-CE 3.27Å; S294-K298 VanDerWaalsContact O-CG 3.24Å; S294-K298 WeakPolarHBondContact O-CG 3.13Å; S294-K298 PolarHBondContact O-NZ 3.36Å; S294-K298 PolarHBondContact OG-NZ 3.35Å; T295-K298 PolarHBondContact O-N 2.89Å; K298-S302 WeakPolarHBondContact O-CB 3.02Å; K298-S302 PolarHBondContact O-N 2.97Å; K298-S302 PolarHBondContact O-OG 3.22Å |
| 299 | A | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L250 L254 V269 L287 T295 S296 Q297 S302 L303 | L250-A299 HydrophobicContact CD1-CB 4Å; L254-A299 HydrophobicContact CD1-CB 4.48Å; V269-A299 WeakPolarHBondContact CG1-O 3.26Å; L287-A299 HydrophobicContact CD1-CB 4.11Å; T295-A299 WeakPolarHBondContact O-CB 3.38Å; T295-A299 PolarHBondContact O-N 2.9Å; S296-A299 PolarHBondContact O-N 3.25Å; Q297-A299 PolarHBondContact O-N 3.14Å; A299-S302 PolarHBondContact O-N 3.47Å; A299-L303 WeakPolarHBondContact O-CB 3.33Å; A299-L303 PolarHBondContact O-N 3.47Å |
| 300 | L | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -46.8 | 174.5 | -68.3 | -177.3 | 0 | 0 | 0 | 112.2 | L284 S296 Q297 S302 L303 F304 F341 F342 A345 | L284-L300 HydrophobicContact CD1-CD1 4.15Å; L284-L300 HydrophobicContact CD1-CD2 4.47Å; L284-L300 HydrophobicContact CD2-CD1 4.25Å; L284-L300 HydrophobicContact CD2-CD2 4.32Å; L284-L300 HydrophobicContact CD2-CG 4.22Å; L284-L300 HydrophobicContact CG-CD2 4.46Å; S296-L300 WeakPolarHBondContact O-CG 3.46Å; S296-L300 PolarHBondContact O-N 2.93Å; S296-L300 VanDerWaalsContact O-N 3.09Å; Q297-L300 PolarHBondContact O-N 3.01Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 3.18Å; L300-L303 WeakPolarHBondContact O-CA 3.47Å; L300-L303 WeakPolarHBondContact O-CB 3.2Å; L300-L303 PolarHBondContact O-N 3.4Å; L300-F304 HydrophobicContact CB-CD2 4.41Å; L300-F304 HydrophobicContact CB-CE2 3.88Å; L300-F304 HydrophobicContact CB-CZ 4.13Å; L300-F304 WeakPolarHBondContact O-CD2 3.36Å; L300-F304 WeakPolarHBondContact O-CG 3.3Å; L300-F304 PolarHBondContact O-N 3.3Å; L300-F341 HydrophobicContact CD1-CD1 3.79Å; L300-F341 HydrophobicContact CD1-CE1 3.83Å; L300-F342 HydrophobicContact CD1-CD2 4.25Å; L300-F342 HydrophobicContact CD2-CD2 4.03Å; L300-F342 HydrophobicContact CD2-CE2 4.47Å; L300-A345 HydrophobicContact CB-CB 4.46Å; L300-A345 HydrophobicContact CD1-CB 3.49Å; L300-A345 VanDerWaalsContact CD1-CB 3.49Å |
| 301 | D | 96.7 | Very high | 94.4 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.7 | -45.7 | 175.6 | -62.6 | -28.7 | 0 | 0 | 0 | 110.6 | Q297 L303 F304 E305 | Q297-D301 PolarHBondContact NE2-OD1 3.31Å; Q297-D301 VanDerWaalsContact O-CG 3.27Å; Q297-D301 PolarHBondContact O-N 2.81Å; D301-L303 PolarHBondContact O-N 2.9Å; D301-F304 PolarHBondContact O-N 2.77Å; D301-E305 WeakPolarHBondContact O-CG 3.22Å; D301-E305 PolarHBondContact O-N 3.19Å |
| 302 | S | 96.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -34.6 | 176.2 | -65.1 | 0 | 0 | 0 | 0 | 113.6 | K266 K298 A299 L300 M306 | K266-S302 WeakPolarHBondContact CE-OG 3.33Å; K298-S302 WeakPolarHBondContact O-CB 3.02Å; K298-S302 PolarHBondContact O-N 2.97Å; K298-S302 PolarHBondContact O-OG 3.22Å; A299-S302 PolarHBondContact O-N 3.47Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 3.18Å; S302-M306 WeakPolarHBondContact O-CB 3.49Å; S302-M306 WeakPolarHBondContact O-CG 3.38Å; S302-M306 PolarHBondContact O-N 3.32Å; S302-M306 VanDerWaalsContact O-N 3.12Å |
| 303 | L | 97.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.3 | -44.2 | 175.8 | 179.9 | 61.8 | 0 | 0 | 0 | 111 | V269 L270 F273 L283 A299 L300 D301 E305 M306 L307 | V269-L303 HydrophobicContact CG1-CB 4.01Å; L270-L303 HydrophobicContact CD1-CD1 3.98Å; F273-L303 HydrophobicContact CB-CD1 3.85Å; F273-L303 HydrophobicContact CB-CD2 4.22Å; F273-L303 HydrophobicContact CD1-CD1 3.78Å; F273-L303 HydrophobicContact CD1-CD2 4.37Å; F273-L303 HydrophobicContact CD2-CD1 4.41Å; F273-L303 HydrophobicContact CD2-CD2 3.59Å; F273-L303 HydrophobicContact CE1-CD1 4.44Å; F273-L303 HydrophobicContact CE2-CD2 3.98Å; F273-L303 HydrophobicContact CG-CD1 3.75Å; F273-L303 HydrophobicContact CG-CD2 3.8Å; F273-L303 HydrophobicContact CG-CG 4.43Å; L283-L303 HydrophobicContact CD2-CD2 4.25Å; A299-L303 WeakPolarHBondContact O-CB 3.33Å; A299-L303 PolarHBondContact O-N 3.47Å; L300-L303 WeakPolarHBondContact O-CA 3.47Å; L300-L303 WeakPolarHBondContact O-CB 3.2Å; L300-L303 PolarHBondContact O-N 3.4Å; D301-L303 PolarHBondContact O-N 2.9Å; L303-E305 VanDerWaalsContact C-N 3.28Å; L303-E305 PolarHBondContact O-N 3.1Å; L303-M306 PolarHBondContact O-N 3.31Å; L303-M306 VanDerWaalsContact O-N 3.13Å; L303-L307 HydrophobicContact CD1-CD1 4.05Å; L303-L307 HydrophobicContact CD1-CG 4.13Å; L303-L307 HydrophobicContact CG-CD1 4.02Å; L303-L307 HydrophobicContact CG-CG 4.48Å; L303-L307 WeakPolarHBondContact O-CG 3.32Å; L303-L307 PolarHBondContact O-N 3.02Å |
| 304 | F | 96.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.9 | -25.7 | 178.5 | -56.2 | -37.2 | 0 | 0 | 0 | 113.2 | L300 D301 L312 F342 A345 L346 F349 | L300-F304 HydrophobicContact CB-CD2 4.41Å; L300-F304 HydrophobicContact CB-CE2 3.88Å; L300-F304 HydrophobicContact CB-CZ 4.13Å; L300-F304 WeakPolarHBondContact O-CD2 3.36Å; L300-F304 WeakPolarHBondContact O-CG 3.3Å; L300-F304 PolarHBondContact O-N 3.3Å; D301-F304 PolarHBondContact O-N 2.77Å; F304-L312 HydrophobicContact CD1-CD1 3.73Å; F304-L312 HydrophobicContact CD1-CD2 4.37Å; F304-L312 HydrophobicContact CE1-CD1 4.04Å; F304-F342 AromaticContact CE1-CE2 3.73Å; F304-F342 HydrophobicContact CE1-CE2 3.73Å; F304-F342 HydrophobicContact CE1-CZ 4.34Å; F304-F342 HydrophobicContact CZ-CD2 4.3Å; F304-F342 AromaticContact CZ-CE2 3.79Å; F304-F342 HydrophobicContact CZ-CE2 3.79Å; F304-A345 HydrophobicContact CE2-CB 4.38Å; F304-L346 HydrophobicContact CE1-CD1 4.2Å; F304-L346 HydrophobicContact CZ-CB 4.12Å; F304-L346 HydrophobicContact CZ-CD1 4.19Å; F304-F349 HydrophobicContact CB-CD1 4.13Å; F304-F349 HydrophobicContact CB-CD2 3.71Å; F304-F349 HydrophobicContact CB-CE1 3.82Å; F304-F349 HydrophobicContact CB-CE2 3.36Å; F304-F349 HydrophobicContact CB-CG 4.06Å; F304-F349 HydrophobicContact CB-CZ 3.4Å; F304-F349 HydrophobicContact CD2-CB 3.83Å; F304-F349 HydrophobicContact CD2-CD1 4.2Å; F304-F349 AromaticContact CD2-CD2 3.78Å; F304-F349 HydrophobicContact CD2-CD2 3.78Å; F304-F349 HydrophobicContact CD2-CE2 4.35Å; F304-F349 AromaticContact CD2-CG 3.68Å; F304-F349 HydrophobicContact CD2-CG 3.68Å; F304-F349 HydrophobicContact CE2-CB 4.1Å; F304-F349 HydrophobicContact CE2-CG 4.39Å; F304-F349 HydrophobicContact CG-CD1 4.26Å; F304-F349 HydrophobicContact CG-CD2 4.16Å; F304-F349 HydrophobicContact CG-CE1 4.39Å; F304-F349 HydrophobicContact CG-CE2 4.28Å; F304-F349 HydrophobicContact CG-CG 4.13Å; F304-F349 HydrophobicContact CG-CZ 4.37Å |
| 305 | E | 92.8 | Very high | 94.8 | Very high | 111 Ų | 111 | 34.8 Ų | 34.8 | 52% | 0.519 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -77.7 | -32.1 | 168.3 | -75.8 | -179.6 | -170.8 | 0 | 0 | 113.9 | K266 D301 L303 | K266-E305 IonicContact NZ-OE2 2.76Å; K266-E305 PolarHBondContact NZ-OE2 3.24Å; D301-E305 WeakPolarHBondContact O-CG 3.22Å; D301-E305 PolarHBondContact O-N 3.19Å; L303-E305 VanDerWaalsContact C-N 3.28Å; L303-E305 PolarHBondContact O-N 3.1Å |
| 306 | M | 94.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 34.8 Ų | 34.8 | 33% | 0.325 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -82.7 | -23.7 | -178.3 | -78 | -65.4 | -70.4 | 0 | 0 | 113.9 | K266 E267 L270 S302 L303 | K266-M306 HydrophobicContact CB-CG 3.71Å; K266-M306 HydrophobicContact CB-SD 3.9Å; E267-M306 HydrophobicContact CG-CE 4.17Å; L270-M306 HydrophobicContact CD2-CB 4.46Å; L270-M306 HydrophobicContact CD2-CE 4.02Å; S302-M306 WeakPolarHBondContact O-CB 3.49Å; S302-M306 WeakPolarHBondContact O-CG 3.38Å; S302-M306 PolarHBondContact O-N 3.32Å; S302-M306 VanDerWaalsContact O-N 3.12Å; L303-M306 PolarHBondContact O-N 3.31Å; L303-M306 VanDerWaalsContact O-N 3.13Å |
| 307 | L | 95.1 | Very high | 94.6 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -81.4 | 142.4 | 173.9 | -68.7 | 172.6 | 0 | 0 | 0 | 110.9 | L270 F273 L303 D311 L312 | L270-L307 HydrophobicContact CD1-CD2 3.92Å; F273-L307 HydrophobicContact CE1-CD1 4.34Å; F273-L307 HydrophobicContact CE1-CD2 4.48Å; L303-L307 HydrophobicContact CD1-CD1 4.05Å; L303-L307 HydrophobicContact CD1-CG 4.13Å; L303-L307 HydrophobicContact CG-CD1 4.02Å; L303-L307 HydrophobicContact CG-CG 4.48Å; L303-L307 WeakPolarHBondContact O-CG 3.32Å; L303-L307 PolarHBondContact O-N 3.02Å; L307-D311 HydrophobicContact CD2-CB 4.23Å; L307-L312 HydrophobicContact CB-CB 4.31Å; L307-L312 HydrophobicContact CD1-CD1 4.2Å |
| 308 | S | 91.5 | Very high | 94.4 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | trans | -65.9 | 154.2 | 165.8 | 77.2 | 0 | 0 | 0 | 0 | 109.9 | D310 D311 L312 | S308-D310 PolarHBondContact O-N 2.99Å; S308-D311 PolarHBondContact O-N 3.13Å; S308-D311 WeakPolarHBondContact OG-CB 3.39Å; S308-D311 PolarHBondContact OG-N 2.9Å; S308-D311 PolarHBondContact OG-OD2 3.33Å; S308-L312 PolarHBondContact O-N 2.94Å | ||
| 309 | P | 88.2 | Confident | 94.4 | Very high | 57 Ų | 57 | 39.9 Ų | 39.9 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -54.5 | -37.7 | 175.8 | -26.6 | 35.5 | 0 | 0 | 0 | 112.8 | L313 P382 | P309-L313 WeakPolarHBondContact O-CB 3.18Å; P309-L313 PolarHBondContact O-N 2.83Å; P309-P382 HydrophobicContact CB-CB 4.01Å; P309-P382 HydrophobicContact CB-CG 3.62Å |
| 310 | D | 89.8 | Confident | 94.2 | Very high | 99 Ų | 99 | 40.9 Ų | 40.9 | 53% | 0.529 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.5 | -33.2 | 176.6 | -61 | -49.4 | 0 | 0 | 0 | 113.1 | S308 K314 | S308-D310 PolarHBondContact O-N 2.99Å; D310-K314 WeakPolarHBondContact O-CD 3.28Å; D310-K314 WeakPolarHBondContact O-CE 3.27Å; D310-K314 VanDerWaalsContact O-CG 3.23Å; D310-K314 WeakPolarHBondContact O-CG 3.45Å; D310-K314 PolarHBondContact O-N 3.28Å; D310-K314 VanDerWaalsContact O-N 3.15Å; D310-K314 PolarHBondContact O-NZ 2.93Å |
| 311 | D | 93.3 | Very high | 94 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -78.2 | -31.9 | 176.8 | -68 | -49.9 | 0 | 0 | 0 | 112.4 | L307 S308 K314 V315 | L307-D311 HydrophobicContact CD2-CB 4.23Å; S308-D311 PolarHBondContact O-N 3.13Å; S308-D311 WeakPolarHBondContact OG-CB 3.39Å; S308-D311 PolarHBondContact OG-N 2.9Å; S308-D311 PolarHBondContact OG-OD2 3.33Å; D311-K314 IonicContact OD1-NZ 3.67Å; D311-K314 PolarHBondContact OD1-NZ 3.38Å; D311-V315 VanDerWaalsContact O-CG2 3.3Å; D311-V315 WeakPolarHBondContact O-CG2 3.4Å; D311-V315 PolarHBondContact O-N 3.33Å; D311-V315 VanDerWaalsContact O-N 3.13Å |
| 312 | L | 94.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 168.9 | -178.3 | 58.8 | 0 | 0 | 0 | 110.7 | F304 L307 S308 K314 V315 V316 L346 F349 L386 | F304-L312 HydrophobicContact CD1-CD1 3.73Å; F304-L312 HydrophobicContact CD1-CD2 4.37Å; F304-L312 HydrophobicContact CE1-CD1 4.04Å; L307-L312 HydrophobicContact CB-CB 4.31Å; L307-L312 HydrophobicContact CD1-CD1 4.2Å; S308-L312 PolarHBondContact O-N 2.94Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.37Å; L312-V315 PolarHBondContact O-N 3.42Å; L312-V316 HydrophobicContact CD1-CG2 4.28Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.42Å; L312-L346 HydrophobicContact CD1-CD1 4.49Å; L312-F349 HydrophobicContact CD2-CD1 4.33Å; L312-F349 HydrophobicContact CD2-CE1 3.68Å; L312-F349 HydrophobicContact CD2-CZ 4.46Å; L312-L386 HydrophobicContact CD2-CD1 3.97Å; L312-L386 HydrophobicContact CG-CD1 4.16Å; L312-L386 HydrophobicContact CG-CD2 4.45Å |
| 313 | L | 93.2 | Very high | 93.8 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 175.4 | -178.2 | 60.3 | 0 | 0 | 0 | 112.1 | P309 V316 Q317 R385 L386 I389 | P309-L313 WeakPolarHBondContact O-CB 3.18Å; P309-L313 PolarHBondContact O-N 2.83Å; L313-V316 PolarHBondContact O-N 2.72Å; L313-Q317 HydrophobicContact CD1-CG 4.32Å; L313-Q317 WeakPolarHBondContact O-CB 3.38Å; L313-Q317 VanDerWaalsContact O-CG 3.24Å; L313-Q317 WeakPolarHBondContact O-CG 3.47Å; L313-Q317 PolarHBondContact O-N 2.98Å; L313-R385 HydrophobicContact CD1-CB 4.32Å; L313-L386 HydrophobicContact CB-CD2 4.45Å; L313-L386 HydrophobicContact CD1-CD2 4Å; L313-L386 HydrophobicContact CD1-CG 4.14Å; L313-I389 HydrophobicContact CD1-CD1 3.96Å |
| 314 | K | 93.6 | Very high | 93.7 | Very high | 85 Ų | 85 | 48.8 Ų | 48.8 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 173.4 | -68.4 | 163.4 | -155.1 | 121.1 | 0 | 112.1 | D310 D311 L312 V316 Q317 E318 | D310-K314 WeakPolarHBondContact O-CD 3.28Å; D310-K314 WeakPolarHBondContact O-CE 3.27Å; D310-K314 VanDerWaalsContact O-CG 3.23Å; D310-K314 WeakPolarHBondContact O-CG 3.45Å; D310-K314 PolarHBondContact O-N 3.28Å; D310-K314 VanDerWaalsContact O-N 3.15Å; D310-K314 PolarHBondContact O-NZ 2.93Å; D311-K314 IonicContact OD1-NZ 3.67Å; D311-K314 PolarHBondContact OD1-NZ 3.38Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.37Å; K314-V316 VanDerWaalsContact C-N 3.28Å; K314-V316 PolarHBondContact O-N 2.75Å; K314-Q317 PolarHBondContact O-N 3.45Å; K314-Q317 VanDerWaalsContact O-N 3.15Å; K314-E318 WeakPolarHBondContact O-CG 3.23Å; K314-E318 PolarHBondContact O-N 3.08Å |
| 315 | V | 95.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 178.3 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | F273 D311 L312 E318 W319 | F273-V315 HydrophobicContact CE1-CG2 4Å; F273-V315 HydrophobicContact CE2-CG1 4.39Å; F273-V315 HydrophobicContact CZ-CB 4.4Å; F273-V315 HydrophobicContact CZ-CG1 3.79Å; F273-V315 HydrophobicContact CZ-CG2 3.64Å; D311-V315 VanDerWaalsContact O-CG2 3.3Å; D311-V315 WeakPolarHBondContact O-CG2 3.4Å; D311-V315 PolarHBondContact O-N 3.33Å; D311-V315 VanDerWaalsContact O-N 3.13Å; L312-V315 PolarHBondContact O-N 3.42Å; V315-E318 PolarHBondContact O-N 3.16Å; V315-W319 WeakPolarHBondContact O-CB 3.35Å; V315-W319 PolarHBondContact O-N 3.09Å |
| 316 | V | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.7 | -33.3 | 178 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | L312 L313 K314 S320 L346 L386 I389 V390 | L312-V316 HydrophobicContact CD1-CG2 4.28Å; L312-V316 WeakPolarHBondContact O-CG2 3.47Å; L312-V316 PolarHBondContact O-N 3.42Å; L313-V316 PolarHBondContact O-N 2.72Å; K314-V316 VanDerWaalsContact C-N 3.28Å; K314-V316 PolarHBondContact O-N 2.75Å; V316-S320 WeakPolarHBondContact O-CB 3.3Å; V316-S320 PolarHBondContact O-N 3.38Å; V316-L346 HydrophobicContact CG1-CD2 4.39Å; V316-L346 HydrophobicContact CG2-CD1 4.34Å; V316-L346 HydrophobicContact CG2-CD2 3.57Å; V316-L386 HydrophobicContact CB-CD2 3.71Å; V316-L386 HydrophobicContact CG1-CD2 3.87Å; V316-L386 HydrophobicContact CG2-CD2 3.69Å; V316-I389 HydrophobicContact CG1-CG2 3.94Å; V316-V390 HydrophobicContact CG1-CG2 3.43Å; V316-V390 VanDerWaalsContact CG1-CG2 3.43Å |
| 317 | Q | 93.9 | Very high | 93.2 | Very high | 103 Ų | 103 | 51.9 Ų | 51.9 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.1 | -31.2 | 172.3 | -74.8 | 171.7 | -11.6 | 0 | 0 | 113.2 | L313 K314 P321 I389 | L313-Q317 HydrophobicContact CD1-CG 4.32Å; L313-Q317 WeakPolarHBondContact O-CB 3.38Å; L313-Q317 VanDerWaalsContact O-CG 3.24Å; L313-Q317 WeakPolarHBondContact O-CG 3.47Å; L313-Q317 PolarHBondContact O-N 2.98Å; K314-Q317 PolarHBondContact O-N 3.45Å; K314-Q317 VanDerWaalsContact O-N 3.15Å; Q317-P321 WeakPolarHBondContact O-CD 3.35Å; Q317-P321 WeakPolarHBondContact O-CG 3.49Å; Q317-I389 HydrophobicContact CG-CD1 4.05Å |
| 318 | E | 93.7 | Very high | 93.1 | Very high | 112 Ų | 112 | 55.1 Ų | 55.1 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.7 | -35.3 | 173.3 | -71.4 | 168 | 179.7 | 0 | 0 | 111.7 | K314 V315 N322 | K314-E318 WeakPolarHBondContact O-CG 3.23Å; K314-E318 PolarHBondContact O-N 3.08Å; V315-E318 PolarHBondContact O-N 3.16Å; E318-N322 PolarHBondContact O-ND2 3.17Å |
| 319 | W | 95.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.2 | -50.5 | 179.6 | 176.8 | 84.5 | 0 | 0 | 0 | 113.2 | V281 V315 N322 Y323 L324 L330 F342 W343 | V281-W319 VanDerWaalsContact CG2-NE1 3.32Å; V315-W319 WeakPolarHBondContact O-CB 3.35Å; V315-W319 PolarHBondContact O-N 3.09Å; W319-N322 WeakPolarHBondContact O-CB 3.45Å; W319-N322 PolarHBondContact O-N 2.94Å; W319-Y323 AromaticContact CD1-CD2 3.15Å; W319-Y323 AromaticContact CD1-CE2 3.43Å; W319-Y323 VanDerWaalsContact CD1-CE2 3.43Å; W319-Y323 AromaticContact CD1-CG 3.95Å; W319-Y323 HydrophobicContact CD2-CD2 4.24Å; W319-Y323 AromaticContact CE2-CD2 3.86Å; W319-Y323 AromaticContact CE2-CG 3.87Å; W319-Y323 AromaticContact CG-CD2 3.83Å; W319-Y323 HydrophobicContact CG-CD2 3.83Å; W319-Y323 HydrophobicContact CG-CE2 4.39Å; W319-Y323 HydrophobicContact CZ2-CG 4.31Å; W319-Y323 AromaticContact NE1-CD2 3.14Å; W319-Y323 AromaticContact NE1-CE2 3.63Å; W319-Y323 AromaticContact NE1-CG 3.43Å; W319-Y323 WeakPolarHBondContact O-CD2 3.17Å; W319-Y323 PolarHBondContact O-N 2.98Å; W319-Y323 VanDerWaalsContact O-N 3.15Å; W319-L324 HydrophobicContact CH2-CD1 4.24Å; W319-L324 HydrophobicContact CH2-CD2 3.91Å; W319-L324 HydrophobicContact CH2-CG 3.95Å; W319-L324 HydrophobicContact CZ3-CD1 3.71Å; W319-L324 HydrophobicContact CZ3-CD2 4.23Å; W319-L324 HydrophobicContact CZ3-CG 3.81Å; W319-L330 HydrophobicContact CH2-CD2 4.39Å; W319-L330 HydrophobicContact CZ2-CD2 4.15Å; W319-F342 HydrophobicContact CD2-CD1 4.01Å; W319-F342 AromaticContact CD2-CE1 3.68Å; W319-F342 HydrophobicContact CD2-CE1 3.68Å; W319-F342 AromaticContact CE2-CD1 3.54Å; W319-F342 AromaticContact CE2-CE1 3.73Å; W319-F342 HydrophobicContact CE3-CD1 4.46Å; W319-F342 AromaticContact CE3-CE1 3.96Å; W319-F342 HydrophobicContact CE3-CE1 3.96Å; W319-F342 HydrophobicContact CG-CE1 4.09Å; W319-F342 HydrophobicContact CH2-CD1 4.14Å; W319-F342 HydrophobicContact CH2-CE1 4.38Å; W319-F342 AromaticContact CZ2-CD1 3.64Å; W319-F342 HydrophobicContact CZ2-CD1 3.64Å; W319-F342 HydrophobicContact CZ2-CE1 4.12Å; W319-F342 HydrophobicContact CZ3-CE1 4.29Å; W319-F342 AromaticContact NE1-CD1 3.79Å; W319-W343 HydrophobicContact CH2-CB 4.08Å; W319-W343 HydrophobicContact CH2-CG 4.25Å |
| 320 | S | 94.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -47.8 | -53.7 | -173.4 | 175.1 | 0 | 0 | 0 | 0 | 114.8 | V316 N322 Y323 L324 | V316-S320 WeakPolarHBondContact O-CB 3.3Å; V316-S320 PolarHBondContact O-N 3.38Å; S320-N322 PolarHBondContact O-N 2.99Å; S320-N322 VanDerWaalsContact O-N 3.14Å; S320-Y323 PolarHBondContact O-N 3.38Å; S320-L324 WeakPolarHBondContact O-CB 3.33Å; S320-L324 PolarHBondContact O-N 3.03Å |
| 321 | P | 93.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.2 | -19.9 | -178.1 | 27.8 | -36.4 | 0 | 0 | 0 | 113.8 | Q317 K331 | Q317-P321 WeakPolarHBondContact O-CD 3.35Å; Q317-P321 WeakPolarHBondContact O-CG 3.49Å; P321-K331 PolarHBondContact O-NZ 3.42Å |
| 322 | N | 93.5 | Very high | 93.5 | Very high | 102 Ų | 102 | 52.3 Ų | 52.3 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -83.1 | -39.2 | 177.6 | -70.5 | -56.3 | 0 | 0 | 0 | 111.9 | E318 W319 S320 K331 | E318-N322 PolarHBondContact O-ND2 3.17Å; W319-N322 WeakPolarHBondContact O-CB 3.45Å; W319-N322 PolarHBondContact O-N 2.94Å; S320-N322 PolarHBondContact O-N 2.99Å; S320-N322 VanDerWaalsContact O-N 3.14Å; N322-K331 VanDerWaalsContact C-NZ 3.31Å; N322-K331 WeakPolarHBondContact O-CE 3.31Å; N322-K331 PolarHBondContact O-NZ 3.16Å |
| 323 | Y | 95.5 | Very high | 93.3 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 13% | 0.129 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -109.6 | -24.7 | -171.4 | -66.4 | -89.2 | 0 | 0 | 0 | 115.3 | D279 V281 W319 S320 L330 K331 C334 A339 | D279-Y323 PolarHBondContact OD2-OH 2.92Å; V281-Y323 HydrophobicContact CB-CE1 4.1Å; V281-Y323 HydrophobicContact CG1-CE1 4.05Å; V281-Y323 HydrophobicContact CG2-CD1 4.26Å; V281-Y323 HydrophobicContact CG2-CE1 3.78Å; V281-Y323 HydrophobicContact CG2-CE2 4.08Å; W319-Y323 AromaticContact CD1-CD2 3.15Å; W319-Y323 AromaticContact CD1-CE2 3.43Å; W319-Y323 VanDerWaalsContact CD1-CE2 3.43Å; W319-Y323 AromaticContact CD1-CG 3.95Å; W319-Y323 HydrophobicContact CD2-CD2 4.24Å; W319-Y323 AromaticContact CE2-CD2 3.86Å; W319-Y323 AromaticContact CE2-CG 3.87Å; W319-Y323 AromaticContact CG-CD2 3.83Å; W319-Y323 HydrophobicContact CG-CD2 3.83Å; W319-Y323 HydrophobicContact CG-CE2 4.39Å; W319-Y323 HydrophobicContact CZ2-CG 4.31Å; W319-Y323 AromaticContact NE1-CD2 3.14Å; W319-Y323 AromaticContact NE1-CE2 3.63Å; W319-Y323 AromaticContact NE1-CG 3.43Å; W319-Y323 WeakPolarHBondContact O-CD2 3.17Å; W319-Y323 PolarHBondContact O-N 2.98Å; W319-Y323 VanDerWaalsContact O-N 3.15Å; S320-Y323 PolarHBondContact O-N 3.38Å; Y323-L330 WeakPolarHBondContact O-CA 3.29Å; Y323-K331 WeakPolarHBondContact O-CG 3.15Å; Y323-K331 PolarHBondContact O-N 3.39Å; Y323-C334 HydrophobicContact CD1-CB 4.05Å; Y323-A339 HydrophobicContact CD1-CB 4.15Å; Y323-A339 HydrophobicContact CE1-CB 4.46Å |
| 324 | L | 95.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -103.2 | 157.4 | -177.7 | -61.8 | -179.3 | 0 | 0 | 0 | 113.8 | W319 S320 I329 L330 K331 | W319-L324 HydrophobicContact CH2-CD1 4.24Å; W319-L324 HydrophobicContact CH2-CD2 3.91Å; W319-L324 HydrophobicContact CH2-CG 3.95Å; W319-L324 HydrophobicContact CZ3-CD1 3.71Å; W319-L324 HydrophobicContact CZ3-CD2 4.23Å; W319-L324 HydrophobicContact CZ3-CG 3.81Å; S320-L324 WeakPolarHBondContact O-CB 3.33Å; S320-L324 PolarHBondContact O-N 3.03Å; L324-I329 CarbonylContact C-O 3.55Å; L324-I329 VanDerWaalsContact CA-O 3.26Å; L324-I329 WeakPolarHBondContact CA-O 3.31Å; L324-I329 VanDerWaalsContact CD2-C 3.49Å; L324-L330 HydrophobicContact CD2-CD2 4.06Å; L324-L330 HydrophobicContact CD2-CG 4.25Å; L324-K331 WeakPolarHBondContact O-CE 3.27Å |
| 325 | T | 93.2 | Very high | 93.2 | Very high | 48 Ų | 48 | 55 Ų | 55 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | trans | -87.1 | 176.4 | 168.3 | 69.4 | 0 | 0 | 0 | 0 | 112 | D327 R328 I329 K331 | T325-D327 PolarHBondContact O-N 3.33Å; T325-D327 PolarHBondContact OG1-N 2.94Å; T325-R328 PolarHBondContact O-N 3.48Å; T325-R328 VanDerWaalsContact O-N 3.15Å; T325-I329 HydrophobicContact CG2-CG1 4.24Å; T325-I329 PolarHBondContact N-O 3.03Å; T325-I329 VanDerWaalsContact OG1-CG1 3.24Å; T325-I329 WeakPolarHBondContact OG1-CG1 3.38Å; T325-I329 PolarHBondContact OG1-O 2.98Å; T325-K331 HydrophobicContact CG2-CG 4Å | ||
| 326 | S | 89 | Confident | 93.2 | Very high | 111 Ų | 111 | 56.4 Ų | 56.4 | 78% | 0.776 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -33.4 | 167.3 | 34.6 | 0 | 0 | 0 | 0 | 113.9 | R328 | S326-R328 VanDerWaalsContact C-N 3.28Å; S326-R328 PolarHBondContact O-N 3.03Å |
| 327 | D | 90.7 | Very high | 93.2 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 10 | -171.7 | -46.6 | -84.2 | 0 | 0 | 0 | 112 | T325 I329 V396 | T325-D327 PolarHBondContact O-N 3.33Å; T325-D327 PolarHBondContact OG1-N 2.94Å; D327-I329 VanDerWaalsContact C-N 3.31Å; D327-I329 PolarHBondContact O-N 2.67Å; D327-V396 HydrophobicContact CB-CG1 4Å |
| 328 | R | 93.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 32% | 0.317 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 63.5 | 31.8 | 175.7 | -53.7 | 173.4 | -66.2 | 178.3 | 9.4 | 113.7 | T325 S326 W343 D388 Q391 | T325-R328 PolarHBondContact O-N 3.48Å; T325-R328 VanDerWaalsContact O-N 3.15Å; S326-R328 VanDerWaalsContact C-N 3.28Å; S326-R328 PolarHBondContact O-N 3.03Å; R328-W343 VanDerWaalsContact O-CZ2 3.26Å; R328-W343 WeakPolarHBondContact O-CZ2 3.49Å; R328-D388 WeakPolarHBondContact CD-O 3.48Å; R328-D388 PolarHBondContact NH1-O 3.46Å; R328-Q391 PolarHBondContact NE-O 2.59Å; R328-Q391 PolarHBondContact NH1-O 2.91Å; R328-Q391 PolarHBondContact NH2-O 2.93Å |
| 329 | I | 93.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -112.3 | 157.2 | 169.6 | 57 | 169.1 | 0 | 0 | 0 | 111.1 | L324 T325 D327 W343 P392 V396 L400 | L324-I329 CarbonylContact C-O 3.55Å; L324-I329 VanDerWaalsContact CA-O 3.26Å; L324-I329 WeakPolarHBondContact CA-O 3.31Å; L324-I329 VanDerWaalsContact CD2-C 3.49Å; T325-I329 HydrophobicContact CG2-CG1 4.24Å; T325-I329 PolarHBondContact N-O 3.03Å; T325-I329 VanDerWaalsContact OG1-CG1 3.24Å; T325-I329 WeakPolarHBondContact OG1-CG1 3.38Å; T325-I329 PolarHBondContact OG1-O 2.98Å; D327-I329 VanDerWaalsContact C-N 3.31Å; D327-I329 PolarHBondContact O-N 2.67Å; I329-W343 HydrophobicContact CB-CH2 4.15Å; I329-W343 HydrophobicContact CB-CZ2 4.5Å; I329-W343 HydrophobicContact CG2-CH2 3.97Å; I329-W343 HydrophobicContact CG2-CZ2 4.27Å; I329-P392 HydrophobicContact CG2-CB 3.78Å; I329-P392 HydrophobicContact CG2-CG 4.42Å; I329-V396 HydrophobicContact CD1-CG1 3.98Å; I329-V396 HydrophobicContact CG1-CG1 4.33Å; I329-V396 HydrophobicContact CG2-CG1 3.74Å; I329-L400 HydrophobicContact CB-CD2 4.14Å; I329-L400 HydrophobicContact CD1-CB 4.45Å; I329-L400 HydrophobicContact CG2-CD2 4.18Å |
| 330 | L | 93.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 139.7 | 175.6 | -74 | 169.6 | 0 | 0 | 0 | 111.9 | W319 Y323 L324 L335 A339 T340 W343 | W319-L330 HydrophobicContact CH2-CD2 4.39Å; W319-L330 HydrophobicContact CZ2-CD2 4.15Å; Y323-L330 WeakPolarHBondContact O-CA 3.29Å; L324-L330 HydrophobicContact CD2-CD2 4.06Å; L324-L330 HydrophobicContact CD2-CG 4.25Å; L330-L335 HydrophobicContact CB-CD2 3.85Å; L330-L335 HydrophobicContact CB-CG 4.43Å; L330-L335 HydrophobicContact CD1-CD2 4.21Å; L330-A339 HydrophobicContact CD2-CB 4.29Å; L330-T340 HydrophobicContact CD1-CG2 4.25Å; L330-W343 HydrophobicContact CD1-CD2 4.35Å; L330-W343 HydrophobicContact CD1-CE3 3.64Å; L330-W343 HydrophobicContact CD1-CZ3 4.22Å; L330-W343 HydrophobicContact CG-CD2 4.22Å; L330-W343 HydrophobicContact CG-CE3 3.81Å; L330-W343 HydrophobicContact CG-CZ3 4.23Å |
| 331 | K | 94.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | trans | -66.9 | 152.3 | 172.6 | -58.7 | 170.7 | -171.7 | 174.5 | 0 | 110.6 | P321 N322 Y323 L324 T325 D333 C334 L335 | P321-K331 PolarHBondContact O-NZ 3.42Å; N322-K331 VanDerWaalsContact C-NZ 3.31Å; N322-K331 WeakPolarHBondContact O-CE 3.31Å; N322-K331 PolarHBondContact O-NZ 3.16Å; Y323-K331 WeakPolarHBondContact O-CG 3.15Å; Y323-K331 PolarHBondContact O-N 3.39Å; L324-K331 WeakPolarHBondContact O-CE 3.27Å; T325-K331 HydrophobicContact CG2-CG 4Å; K331-D333 WeakPolarHBondContact CB-OD1 3.19Å; K331-D333 PolarHBondContact O-N 3.22Å; K331-C334 HydrophobicContact CB-CB 4.15Å; K331-C334 CarbonylContact O-C 3.53Å; K331-C334 WeakPolarHBondContact O-CA 3.46Å; K331-C334 WeakPolarHBondContact O-CB 3.38Å; K331-C334 PolarHBondContact O-N 2.97Å; K331-L335 PolarHBondContact O-N 3.4Å | ||
| 332 | S | 89.2 | Confident | 93.8 | Very high | 103 Ų | 103 | 42.8 Ų | 42.8 | 72% | 0.72 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.7 | -173.9 | -170.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 333 | D | 90.2 | Very high | 94 | Very high | 130 Ų | 130 | 38 Ų | 38 | 70% | 0.695 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -12 | 172.3 | 59.8 | -23.4 | 0 | 0 | 0 | 113 | K331 | K331-D333 WeakPolarHBondContact CB-OD1 3.19Å; K331-D333 PolarHBondContact O-N 3.22Å |
| 334 | C | 92.2 | Very high | 94 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -106 | 6.4 | -178.9 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | Y323 K331 T336 A339 | Y323-C334 HydrophobicContact CD1-CB 4.05Å; K331-C334 HydrophobicContact CB-CB 4.15Å; K331-C334 CarbonylContact O-C 3.53Å; K331-C334 WeakPolarHBondContact O-CA 3.46Å; K331-C334 WeakPolarHBondContact O-CB 3.38Å; K331-C334 PolarHBondContact O-N 2.97Å; C334-T336 PolarHBondContact O-N 3.24Å; C334-A339 WeakPolarHBondContact O-CB 3.49Å |
| 335 | L | 93.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | trans | -78.2 | 67.1 | 175 | -73.4 | 170.4 | 0 | 0 | 0 | 111.3 | L330 K331 L400 V404 V427 I431 | L330-L335 HydrophobicContact CB-CD2 3.85Å; L330-L335 HydrophobicContact CB-CG 4.43Å; L330-L335 HydrophobicContact CD1-CD2 4.21Å; K331-L335 PolarHBondContact O-N 3.4Å; L335-L400 HydrophobicContact CD1-CD1 4.4Å; L335-L400 HydrophobicContact CD2-CD1 4.3Å; L335-V404 HydrophobicContact CD1-CG1 4.05Å; L335-V404 HydrophobicContact CD2-CG1 4.33Å; L335-V427 HydrophobicContact CD2-CG1 4.37Å; L335-I431 HydrophobicContact CD2-CD1 4.23Å | ||
| 336 | T | 94.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | trans | -109.8 | 157.9 | 173.1 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | R285 C334 E338 A339 T340 V427 | R285-T336 PolarHBondContact NH2-OG1 3.13Å; C334-T336 PolarHBondContact O-N 3.24Å; T336-E338 WeakPolarHBondContact CB-OE2 3.35Å; T336-E338 PolarHBondContact O-N 3.44Å; T336-E338 PolarHBondContact OG1-OE2 2.97Å; T336-A339 PolarHBondContact O-N 3.4Å; T336-T340 WeakPolarHBondContact O-CB 3.49Å; T336-T340 PolarHBondContact O-N 3.45Å; T336-T340 VanDerWaalsContact O-N 3.13Å; T336-T340 PolarHBondContact O-OG1 2.92Å; T336-V427 VanDerWaalsContact C-CG2 3.49Å | ||
| 337 | P | 94.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 5% | 0.045 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.3 | -41.3 | -177.9 | -29.4 | 36.1 | 0 | 0 | 0 | 113 | F341 E423 C426 V427 | P337-F341 WeakPolarHBondContact O-CB 3.23Å; P337-F341 PolarHBondContact O-N 3.35Å; P337-E423 HydrophobicContact CG-CB 4.29Å; P337-E423 HydrophobicContact CG-CG 4.4Å; P337-C426 HydrophobicContact CB-CB 4.42Å; P337-C426 HydrophobicContact CG-CB 4.47Å; P337-V427 HydrophobicContact CG-CG2 4.21Å |
| 338 | E | 96.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 27 Ų | 27 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.9 | -39.6 | -171.6 | -30.4 | 91.1 | 133.7 | 0 | 0 | 113.1 | V281 L284 R285 P289 T336 T340 F342 | V281-E338 HydrophobicContact CG1-CB 4.14Å; L284-E338 HydrophobicContact CB-CB 3.68Å; L284-E338 HydrophobicContact CB-CG 4.39Å; L284-E338 HydrophobicContact CD1-CB 4.4Å; L284-E338 VanDerWaalsContact CD1-O 3.25Å; L284-E338 WeakPolarHBondContact CD1-O 3.38Å; R285-E338 WeakPolarHBondContact CD-OE1 3.42Å; R285-E338 HydrophobicContact CG-CG 3.92Å; R285-E338 WeakPolarHBondContact CG-OE1 3.37Å; R285-E338 IonicContact CZ-OE1 2.76Å; R285-E338 IonicContact NE-OE1 3.89Å; R285-E338 PolarHBondContact NE-OE1 2.63Å; R285-E338 IonicContact NE-OE2 3.83Å; R285-E338 IonicContact NH2-OE1 3.6Å; R285-E338 IonicContact NH2-OE2 3.51Å; P289-E338 HydrophobicContact CG-CB 4.17Å; P289-E338 HydrophobicContact CG-CG 3.97Å; T336-E338 WeakPolarHBondContact CB-OE2 3.35Å; T336-E338 PolarHBondContact O-N 3.44Å; T336-E338 PolarHBondContact OG1-OE2 2.97Å; E338-T340 VanDerWaalsContact C-N 3.31Å; E338-F342 WeakPolarHBondContact O-CB 3.35Å; E338-F342 PolarHBondContact O-N 2.99Å |
| 339 | A | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -38.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V281 Y323 L330 C334 T336 W343 | V281-A339 HydrophobicContact CG1-CB 4.05Å; V281-A339 HydrophobicContact CG2-CB 4.18Å; Y323-A339 HydrophobicContact CD1-CB 4.15Å; Y323-A339 HydrophobicContact CE1-CB 4.46Å; L330-A339 HydrophobicContact CD2-CB 4.29Å; C334-A339 WeakPolarHBondContact O-CB 3.49Å; T336-A339 PolarHBondContact O-N 3.4Å; A339-W343 WeakPolarHBondContact O-CB 3.34Å; A339-W343 PolarHBondContact O-N 2.93Å; A339-W343 VanDerWaalsContact O-N 3.08Å |
| 340 | T | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.5 | -42.2 | 177.3 | -45.1 | 0 | 0 | 0 | 0 | 111.8 | L330 T336 E338 W343 R344 V427 Q430 I431 | L330-T340 HydrophobicContact CD1-CG2 4.25Å; T336-T340 WeakPolarHBondContact O-CB 3.49Å; T336-T340 PolarHBondContact O-N 3.45Å; T336-T340 VanDerWaalsContact O-N 3.13Å; T336-T340 PolarHBondContact O-OG1 2.92Å; E338-T340 VanDerWaalsContact C-N 3.31Å; T340-W343 PolarHBondContact O-N 3.09Å; T340-R344 PolarHBondContact O-N 3.45Å; T340-V427 HydrophobicContact CG2-CG1 4.3Å; T340-Q430 HydrophobicContact CG2-CB 3.59Å; T340-Q430 HydrophobicContact CG2-CG 4.47Å; T340-I431 HydrophobicContact CG2-CD1 4.08Å; T340-I431 HydrophobicContact CG2-CG1 3.58Å |
| 341 | F | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.5 | -168.8 | -77.5 | 0 | 0 | 0 | 111.9 | L284 P289 P293 Q297 L300 P337 A345 Q430 | L284-F341 HydrophobicContact CD1-CD1 4.22Å; L284-F341 HydrophobicContact CD2-CD1 4.22Å; P289-F341 HydrophobicContact CB-CB 4.26Å; P289-F341 HydrophobicContact CB-CD1 4.25Å; P289-F341 HydrophobicContact CB-CD2 3.72Å; P289-F341 HydrophobicContact CB-CE2 4.1Å; P289-F341 HydrophobicContact CB-CG 3.82Å; P293-F341 HydrophobicContact CB-CE2 3.69Å; P293-F341 HydrophobicContact CB-CZ 4.35Å; P293-F341 WeakPolarHBondContact O-CZ 3.49Å; Q297-F341 HydrophobicContact CB-CE1 4.49Å; Q297-F341 HydrophobicContact CB-CZ 4.05Å; L300-F341 HydrophobicContact CD1-CD1 3.79Å; L300-F341 HydrophobicContact CD1-CE1 3.83Å; P337-F341 WeakPolarHBondContact O-CB 3.23Å; P337-F341 PolarHBondContact O-N 3.35Å; F341-A345 VanDerWaalsContact O-CB 3.29Å; F341-A345 WeakPolarHBondContact O-CB 3.42Å; F341-A345 PolarHBondContact O-N 3.43Å; F341-Q430 HydrophobicContact CB-CG 4.26Å; F341-Q430 HydrophobicContact CD2-CG 4.31Å |
| 342 | F | 97.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.3 | 178.2 | -104.3 | 0 | 0 | 0 | 112 | P280 L284 L300 F304 W319 E338 A345 L346 | P280-F342 HydrophobicContact CB-CD2 3.51Å; P280-F342 HydrophobicContact CB-CE2 3.39Å; P280-F342 HydrophobicContact CB-CG 4.13Å; P280-F342 HydrophobicContact CB-CZ 3.95Å; P280-F342 HydrophobicContact CG-CD1 4.05Å; P280-F342 HydrophobicContact CG-CD2 3.83Å; P280-F342 HydrophobicContact CG-CE1 3.8Å; P280-F342 HydrophobicContact CG-CE2 3.54Å; P280-F342 HydrophobicContact CG-CG 4.06Å; P280-F342 HydrophobicContact CG-CZ 3.53Å; L284-F342 HydrophobicContact CD1-CB 3.78Å; L300-F342 HydrophobicContact CD1-CD2 4.25Å; L300-F342 HydrophobicContact CD2-CD2 4.03Å; L300-F342 HydrophobicContact CD2-CE2 4.47Å; F304-F342 AromaticContact CE1-CE2 3.73Å; F304-F342 HydrophobicContact CE1-CE2 3.73Å; F304-F342 HydrophobicContact CE1-CZ 4.34Å; F304-F342 HydrophobicContact CZ-CD2 4.3Å; F304-F342 AromaticContact CZ-CE2 3.79Å; F304-F342 HydrophobicContact CZ-CE2 3.79Å; W319-F342 HydrophobicContact CD2-CD1 4.01Å; W319-F342 AromaticContact CD2-CE1 3.68Å; W319-F342 HydrophobicContact CD2-CE1 3.68Å; W319-F342 AromaticContact CE2-CD1 3.54Å; W319-F342 AromaticContact CE2-CE1 3.73Å; W319-F342 HydrophobicContact CE3-CD1 4.46Å; W319-F342 AromaticContact CE3-CE1 3.96Å; W319-F342 HydrophobicContact CE3-CE1 3.96Å; W319-F342 HydrophobicContact CG-CE1 4.09Å; W319-F342 HydrophobicContact CH2-CD1 4.14Å; W319-F342 HydrophobicContact CH2-CE1 4.38Å; W319-F342 AromaticContact CZ2-CD1 3.64Å; W319-F342 HydrophobicContact CZ2-CD1 3.64Å; W319-F342 HydrophobicContact CZ2-CE1 4.12Å; W319-F342 HydrophobicContact CZ3-CE1 4.29Å; W319-F342 AromaticContact NE1-CD1 3.79Å; E338-F342 WeakPolarHBondContact O-CB 3.35Å; E338-F342 PolarHBondContact O-N 2.99Å; F342-A345 PolarHBondContact O-N 3.48Å; F342-L346 HydrophobicContact CE1-CD2 3.84Å; F342-L346 HydrophobicContact CZ-CD2 3.93Å; F342-L346 WeakPolarHBondContact O-CB 3.35Å; F342-L346 PolarHBondContact O-N 3.44Å |
| 343 | W | 97.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | -179.5 | -175.9 | 37.8 | 0 | 0 | 0 | 111.8 | W319 R328 I329 L330 A339 T340 A345 L346 V347 V390 P392 L400 M434 | W319-W343 HydrophobicContact CH2-CB 4.08Å; W319-W343 HydrophobicContact CH2-CG 4.25Å; R328-W343 VanDerWaalsContact O-CZ2 3.26Å; R328-W343 WeakPolarHBondContact O-CZ2 3.49Å; I329-W343 HydrophobicContact CB-CH2 4.15Å; I329-W343 HydrophobicContact CB-CZ2 4.5Å; I329-W343 HydrophobicContact CG2-CH2 3.97Å; I329-W343 HydrophobicContact CG2-CZ2 4.27Å; L330-W343 HydrophobicContact CD1-CD2 4.35Å; L330-W343 HydrophobicContact CD1-CE3 3.64Å; L330-W343 HydrophobicContact CD1-CZ3 4.22Å; L330-W343 HydrophobicContact CG-CD2 4.22Å; L330-W343 HydrophobicContact CG-CE3 3.81Å; L330-W343 HydrophobicContact CG-CZ3 4.23Å; A339-W343 WeakPolarHBondContact O-CB 3.34Å; A339-W343 PolarHBondContact O-N 2.93Å; A339-W343 VanDerWaalsContact O-N 3.08Å; T340-W343 PolarHBondContact O-N 3.09Å; W343-A345 PolarHBondContact O-N 3.08Å; W343-L346 PolarHBondContact O-N 3.19Å; W343-V347 WeakPolarHBondContact O-CG2 3.5Å; W343-V347 PolarHBondContact O-N 3.02Å; W343-V390 PolarHBondContact NE1-O 2.88Å; W343-P392 HydrophobicContact CH2-CG 4.35Å; W343-P392 HydrophobicContact CZ2-CG 3.82Å; W343-L400 HydrophobicContact CH2-CD2 3.61Å; W343-L400 HydrophobicContact CZ3-CD2 3.6Å; W343-M434 HydrophobicContact CD2-CE 4.16Å; W343-M434 HydrophobicContact CD2-SD 3.8Å; W343-M434 HydrophobicContact CE3-CE 3.96Å; W343-M434 HydrophobicContact CE3-SD 4.02Å; W343-M434 HydrophobicContact CG-SD 4.23Å; W343-M434 HydrophobicContact CH2-CE 3.6Å; W343-M434 HydrophobicContact CZ2-CE 3.79Å; W343-M434 HydrophobicContact CZ2-SD 4.3Å; W343-M434 HydrophobicContact CZ3-CE 3.69Å; W343-M434 HydrophobicContact CZ3-SD 4.36Å |
| 344 | R | 96.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.4 | -53.9 | 172.8 | 178.2 | -170.3 | 59 | 66.3 | 8.1 | 111.4 | T340 L346 V347 E348 M434 | T340-R344 PolarHBondContact O-N 3.45Å; R344-L346 VanDerWaalsContact C-N 3.27Å; R344-L346 PolarHBondContact O-N 3.08Å; R344-V347 PolarHBondContact O-N 2.94Å; R344-E348 WeakPolarHBondContact CD-OE1 3.47Å; R344-E348 HydrophobicContact CG-CG 4.44Å; R344-E348 WeakPolarHBondContact CG-OE1 3.38Å; R344-E348 IonicContact CZ-OE1 2.77Å; R344-E348 IonicContact NE-OE1 3.25Å; R344-E348 IonicContact NH1-OE1 3.76Å; R344-E348 PolarHBondContact NH1-OE1 2.99Å; R344-E348 IonicContact NH1-OE2 3.89Å; R344-E348 PolarHBondContact O-N 2.67Å; R344-M434 HydrophobicContact CB-CB 4.11Å; R344-M434 HydrophobicContact CB-CG 4.35Å; R344-M434 HydrophobicContact CG-CB 3.92Å; R344-M434 HydrophobicContact CG-CG 4.36Å |
| 345 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62 | -35.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L300 F304 F341 F342 W343 F349 | L300-A345 HydrophobicContact CB-CB 4.46Å; L300-A345 HydrophobicContact CD1-CB 3.49Å; L300-A345 VanDerWaalsContact CD1-CB 3.49Å; F304-A345 HydrophobicContact CE2-CB 4.38Å; F341-A345 VanDerWaalsContact O-CB 3.29Å; F341-A345 WeakPolarHBondContact O-CB 3.42Å; F341-A345 PolarHBondContact O-N 3.43Å; F342-A345 PolarHBondContact O-N 3.48Å; W343-A345 PolarHBondContact O-N 3.08Å; A345-F349 VanDerWaalsContact O-CB 3.27Å; A345-F349 WeakPolarHBondContact O-CB 3.45Å; A345-F349 PolarHBondContact O-N 2.85Å |
| 346 | L | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.8 | -43.6 | 175.1 | -180 | 58.8 | 0 | 0 | 0 | 112.1 | F304 L312 V316 F342 W343 R344 F349 I350 V390 | F304-L346 HydrophobicContact CE1-CD1 4.2Å; F304-L346 HydrophobicContact CZ-CB 4.12Å; F304-L346 HydrophobicContact CZ-CD1 4.19Å; L312-L346 HydrophobicContact CD1-CD1 4.49Å; V316-L346 HydrophobicContact CG1-CD2 4.39Å; V316-L346 HydrophobicContact CG2-CD1 4.34Å; V316-L346 HydrophobicContact CG2-CD2 3.57Å; F342-L346 HydrophobicContact CE1-CD2 3.84Å; F342-L346 HydrophobicContact CZ-CD2 3.93Å; F342-L346 WeakPolarHBondContact O-CB 3.35Å; F342-L346 PolarHBondContact O-N 3.44Å; W343-L346 PolarHBondContact O-N 3.19Å; R344-L346 VanDerWaalsContact C-N 3.27Å; R344-L346 PolarHBondContact O-N 3.08Å; L346-F349 PolarHBondContact O-N 3.18Å; L346-I350 HydrophobicContact CD1-CD1 4.16Å; L346-I350 HydrophobicContact CD1-CG1 4.44Å; L346-I350 HydrophobicContact CG-CD1 4.1Å; L346-I350 WeakPolarHBondContact O-CD1 3.3Å; L346-I350 VanDerWaalsContact O-CG1 3.28Å; L346-I350 WeakPolarHBondContact O-CG1 3.49Å; L346-I350 PolarHBondContact O-N 3.01Å; L346-V390 HydrophobicContact CD2-CG1 3.98Å; L346-V390 HydrophobicContact CD2-CG2 4Å; L346-V390 HydrophobicContact CG-CG1 4.31Å |
| 347 | V | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 111 | W343 R344 F349 I350 H351 V390 Q391 M434 L438 | W343-V347 WeakPolarHBondContact O-CG2 3.5Å; W343-V347 PolarHBondContact O-N 3.02Å; R344-V347 PolarHBondContact O-N 2.94Å; V347-F349 VanDerWaalsContact C-N 3.35Å; V347-F349 PolarHBondContact O-N 3.3Å; V347-I350 PolarHBondContact O-N 2.69Å; V347-H351 WeakPolarHBondContact O-CB 3.31Å; V347-H351 PolarHBondContact O-N 2.82Å; V347-V390 HydrophobicContact CG2-CG1 3.88Å; V347-Q391 HydrophobicContact CG1-CG 4.34Å; V347-Q391 HydrophobicContact CG2-CG 4.28Å; V347-M434 HydrophobicContact CB-CG 4.14Å; V347-M434 HydrophobicContact CB-SD 4.23Å; V347-M434 HydrophobicContact CG1-CG 4.02Å; V347-M434 HydrophobicContact CG1-SD 4.47Å; V347-M434 HydrophobicContact CG2-SD 3.96Å; V347-L438 HydrophobicContact CG1-CD2 4.06Å |
| 348 | E | 94.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.7 | -83.2 | -173.6 | -139.5 | 0 | 0 | 112.8 | R344 H351 K352 | R344-E348 WeakPolarHBondContact CD-OE1 3.47Å; R344-E348 HydrophobicContact CG-CG 4.44Å; R344-E348 WeakPolarHBondContact CG-OE1 3.38Å; R344-E348 IonicContact CZ-OE1 2.77Å; R344-E348 IonicContact NE-OE1 3.25Å; R344-E348 IonicContact NH1-OE1 3.76Å; R344-E348 PolarHBondContact NH1-OE1 2.99Å; R344-E348 IonicContact NH1-OE2 3.89Å; R344-E348 PolarHBondContact O-N 2.67Å; E348-H351 PolarHBondContact O-N 2.82Å; E348-K352 WeakPolarHBondContact O-CB 3.29Å; E348-K352 WeakPolarHBondContact O-CD 3.41Å; E348-K352 WeakPolarHBondContact O-CG 3.16Å; E348-K352 PolarHBondContact O-N 3.44Å; E348-K352 IonicContact OE2-NZ 2.72Å; E348-K352 PolarHBondContact OE2-NZ 3.23Å |
| 349 | F | 94.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 179.9 | 172.4 | -96.7 | 0 | 0 | 0 | 112.3 | F304 L312 A345 L346 V347 R353 | F304-F349 HydrophobicContact CB-CD1 4.13Å; F304-F349 HydrophobicContact CB-CD2 3.71Å; F304-F349 HydrophobicContact CB-CE1 3.82Å; F304-F349 HydrophobicContact CB-CE2 3.36Å; F304-F349 HydrophobicContact CB-CG 4.06Å; F304-F349 HydrophobicContact CB-CZ 3.4Å; F304-F349 HydrophobicContact CD2-CB 3.83Å; F304-F349 HydrophobicContact CD2-CD1 4.2Å; F304-F349 AromaticContact CD2-CD2 3.78Å; F304-F349 HydrophobicContact CD2-CD2 3.78Å; F304-F349 HydrophobicContact CD2-CE2 4.35Å; F304-F349 AromaticContact CD2-CG 3.68Å; F304-F349 HydrophobicContact CD2-CG 3.68Å; F304-F349 HydrophobicContact CE2-CB 4.1Å; F304-F349 HydrophobicContact CE2-CG 4.39Å; F304-F349 HydrophobicContact CG-CD1 4.26Å; F304-F349 HydrophobicContact CG-CD2 4.16Å; F304-F349 HydrophobicContact CG-CE1 4.39Å; F304-F349 HydrophobicContact CG-CE2 4.28Å; F304-F349 HydrophobicContact CG-CG 4.13Å; F304-F349 HydrophobicContact CG-CZ 4.37Å; L312-F349 HydrophobicContact CD2-CD1 4.33Å; L312-F349 HydrophobicContact CD2-CE1 3.68Å; L312-F349 HydrophobicContact CD2-CZ 4.46Å; A345-F349 VanDerWaalsContact O-CB 3.27Å; A345-F349 WeakPolarHBondContact O-CB 3.45Å; A345-F349 PolarHBondContact O-N 2.85Å; L346-F349 PolarHBondContact O-N 3.18Å; V347-F349 VanDerWaalsContact C-N 3.35Å; V347-F349 PolarHBondContact O-N 3.3Å; F349-R353 VanDerWaalsContact CZ-NE 3.34Å; F349-R353 PolarHBondContact O-N 2.99Å; F349-R353 VanDerWaalsContact O-N 3.14Å |
| 350 | I | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 174.3 | -67.5 | 162.1 | 0 | 0 | 0 | 109.7 | L346 V347 K352 R353 Q354 L386 A387 | L346-I350 HydrophobicContact CD1-CD1 4.16Å; L346-I350 HydrophobicContact CD1-CG1 4.44Å; L346-I350 HydrophobicContact CG-CD1 4.1Å; L346-I350 WeakPolarHBondContact O-CD1 3.3Å; L346-I350 VanDerWaalsContact O-CG1 3.28Å; L346-I350 WeakPolarHBondContact O-CG1 3.49Å; L346-I350 PolarHBondContact O-N 3.01Å; V347-I350 PolarHBondContact O-N 2.69Å; I350-K352 PolarHBondContact O-N 2.89Å; I350-R353 PolarHBondContact O-N 3.19Å; I350-R353 VanDerWaalsContact O-N 3.17Å; I350-Q354 WeakPolarHBondContact O-CG 3.47Å; I350-Q354 PolarHBondContact O-N 3.35Å; I350-L386 HydrophobicContact CD1-CB 3.91Å; I350-L386 HydrophobicContact CG1-CB 4.28Å; I350-A387 HydrophobicContact CG2-CB 3.95Å |
| 351 | H | 90.9 | Very high | 85 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -47.7 | -179.6 | -176.4 | 71.2 | 0 | 0 | 0 | 112.6 | V347 E348 R353 Q354 I355 S437 | V347-H351 WeakPolarHBondContact O-CB 3.31Å; V347-H351 PolarHBondContact O-N 2.82Å; E348-H351 PolarHBondContact O-N 2.82Å; H351-R353 VanDerWaalsContact C-N 3.29Å; H351-R353 PolarHBondContact O-N 3.03Å; H351-Q354 PolarHBondContact O-N 3Å; H351-Q354 VanDerWaalsContact O-N 3.16Å; H351-I355 PolarHBondContact O-N 3.21Å; H351-S437 PolarHBondContact CD2-OG 2.9Å |
| 352 | K | 90.8 | Very high | 82.6 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 39% | 0.391 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 175.7 | -70.6 | 162.3 | -166.9 | 167.6 | 0 | 112.1 | E348 I350 N356 | E348-K352 WeakPolarHBondContact O-CB 3.29Å; E348-K352 WeakPolarHBondContact O-CD 3.41Å; E348-K352 WeakPolarHBondContact O-CG 3.16Å; E348-K352 PolarHBondContact O-N 3.44Å; E348-K352 IonicContact OE2-NZ 2.72Å; E348-K352 PolarHBondContact OE2-NZ 3.23Å; I350-K352 PolarHBondContact O-N 2.89Å; K352-N356 PolarHBondContact O-N 2.93Å; K352-N356 PolarHBondContact O-ND2 3.41Å; K352-N356 PolarHBondContact O-OD1 2.97Å |
| 353 | R | 88 | Confident | 80 | Confident | 85 Ų | 85 | 55 Ų | 55 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -74.2 | -32.4 | 176 | -78.4 | -168.6 | 167.9 | -178.7 | 3 | 113.6 | F349 I350 H351 A357 L383 | F349-R353 VanDerWaalsContact CZ-NE 3.34Å; F349-R353 PolarHBondContact O-N 2.99Å; F349-R353 VanDerWaalsContact O-N 3.14Å; I350-R353 PolarHBondContact O-N 3.19Å; I350-R353 VanDerWaalsContact O-N 3.17Å; H351-R353 VanDerWaalsContact C-N 3.29Å; H351-R353 PolarHBondContact O-N 3.03Å; R353-A357 PolarHBondContact O-N 3.31Å; R353-L383 HydrophobicContact CB-CD1 4.18Å; R353-L383 HydrophobicContact CB-CD2 4.04Å |
| 354 | Q | 85 | Confident | 77.6 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 173.7 | -73.5 | 169 | -43.6 | 0 | 0 | 111.7 | I350 H351 A357 N358 | I350-Q354 WeakPolarHBondContact O-CG 3.47Å; I350-Q354 PolarHBondContact O-N 3.35Å; H351-Q354 PolarHBondContact O-N 3Å; H351-Q354 VanDerWaalsContact O-N 3.16Å; Q354-A357 PolarHBondContact O-N 3.04Å; Q354-N358 PolarHBondContact O-N 3.38Å; Q354-N358 PolarHBondContact O-ND2 3.38Å |
| 355 | I | 83.6 | Confident | 75.3 | Confident | 74 Ų | 74 | 65 Ų | 65 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.7 | -52.9 | 176.1 | -66.9 | 168.2 | 0 | 0 | 0 | 111.1 | H351 A357 N358 D359 | H351-I355 PolarHBondContact O-N 3.21Å; I355-A357 PolarHBondContact O-N 3.13Å; I355-A357 VanDerWaalsContact O-N 3.16Å; I355-N358 PolarHBondContact O-N 3.42Å; I355-D359 PolarHBondContact O-N 3.15Å; I355-D359 VanDerWaalsContact O-N 3.14Å |
| 356 | N | 80.4 | Confident | 72.8 | Confident | 102 Ų | 102 | 74.4 Ų | 74.4 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -30.5 | -176.7 | -67.6 | -5.6 | 0 | 0 | 0 | 113.3 | K352 T360 | K352-N356 PolarHBondContact O-N 2.93Å; K352-N356 PolarHBondContact O-ND2 3.41Å; K352-N356 PolarHBondContact O-OD1 2.97Å; N356-T360 PolarHBondContact O-N 3.03Å; N356-T360 PolarHBondContact O-OG1 3.2Å |
| 357 | A | 76.5 | Confident | 69.8 | Low | 53 Ų | 53 | 79.8 Ų | 79.8 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R353 Q354 I355 D359 T360 T361 | R353-A357 PolarHBondContact O-N 3.31Å; Q354-A357 PolarHBondContact O-N 3.04Å; I355-A357 PolarHBondContact O-N 3.13Å; I355-A357 VanDerWaalsContact O-N 3.16Å; A357-D359 PolarHBondContact O-N 2.84Å; A357-T360 WeakPolarHBondContact O-CB 3.11Å; A357-T360 PolarHBondContact O-N 3.31Å; A357-T361 PolarHBondContact O-N 3.38Å; A357-T361 VanDerWaalsContact O-N 3.17Å; A357-T361 PolarHBondContact O-OG1 2.7Å |
| 358 | N | 66 | Low | 66.9 | Low | 101 Ų | 101 | 84.2 Ų | 84.2 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | -176.5 | -65 | -15.6 | 0 | 0 | 0 | 112.7 | Q354 I355 T360 T361 T362 | Q354-N358 PolarHBondContact O-N 3.38Å; Q354-N358 PolarHBondContact O-ND2 3.38Å; I355-N358 PolarHBondContact O-N 3.42Å; N358-T360 VanDerWaalsContact C-N 3.33Å; N358-T361 WeakPolarHBondContact CA-OG1 3.39Å; N358-T361 PolarHBondContact O-N 2.79Å; N358-T361 PolarHBondContact O-OG1 3.46Å; N358-T362 WeakPolarHBondContact O-CB 3.48Å; N358-T362 PolarHBondContact O-N 3.1Å; N358-T362 PolarHBondContact O-OG1 3.45Å |
| 359 | D | 59.7 | Low | 64.1 | Low | 95 Ų | 95 | 88.6 Ų | 88.6 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -36.9 | 175.9 | -74.1 | -26.6 | 0 | 0 | 0 | 112 | I355 A357 T362 T363 | I355-D359 PolarHBondContact O-N 3.15Å; I355-D359 VanDerWaalsContact O-N 3.14Å; A357-D359 PolarHBondContact O-N 2.84Å; D359-T362 PolarHBondContact O-N 3.44Å; D359-T363 PolarHBondContact O-N 2.76Å; D359-T363 VanDerWaalsContact O-N 3.13Å; D359-T363 PolarHBondContact O-OG1 3.16Å |
| 360 | T | 56.5 | Low | 61.5 | Low | 96 Ų | 96 | 95.2 Ų | 95.2 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 111 | N356 A357 N358 T363 T364 | N356-T360 PolarHBondContact O-N 3.03Å; N356-T360 PolarHBondContact O-OG1 3.2Å; A357-T360 WeakPolarHBondContact O-CB 3.11Å; A357-T360 PolarHBondContact O-N 3.31Å; N358-T360 VanDerWaalsContact C-N 3.33Å; T360-T363 PolarHBondContact O-N 2.94Å; T360-T364 PolarHBondContact O-OG1 3.07Å |
| 361 | T | 50.9 | Low | 59 | Low | 74 Ų | 74 | 101.4 Ų | 101.4 | 45% | 0.454 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67 | -36 | 173.7 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | A357 N358 T363 T364 I365 | A357-T361 PolarHBondContact O-N 3.38Å; A357-T361 VanDerWaalsContact O-N 3.17Å; A357-T361 PolarHBondContact O-OG1 2.7Å; N358-T361 WeakPolarHBondContact CA-OG1 3.39Å; N358-T361 PolarHBondContact O-N 2.79Å; N358-T361 PolarHBondContact O-OG1 3.46Å; T361-T363 PolarHBondContact O-N 3.08Å; T361-T364 PolarHBondContact O-N 2.86Å; T361-T364 PolarHBondContact O-OG1 3.03Å; T361-I365 VanDerWaalsContact O-CD1 3.32Å; T361-I365 WeakPolarHBondContact O-CD1 3.19Å; T361-I365 VanDerWaalsContact O-CG1 3.27Å; T361-I365 WeakPolarHBondContact O-CG1 3.38Å; T361-I365 PolarHBondContact O-N 3.15Å |
| 362 | T | 46.3 | Very low | 56.3 | Low | 94 Ų | 94 | 106.4 Ų | 106.4 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -28.2 | -179.3 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | N358 D359 | N358-T362 WeakPolarHBondContact O-CB 3.48Å; N358-T362 PolarHBondContact O-N 3.1Å; N358-T362 PolarHBondContact O-OG1 3.45Å; D359-T362 PolarHBondContact O-N 3.44Å |
| 363 | T | 43.8 | Very low | 53.7 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 69% | 0.693 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.1 | -32.1 | -179.7 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | D359 T360 T361 | D359-T363 PolarHBondContact O-N 2.76Å; D359-T363 VanDerWaalsContact O-N 3.13Å; D359-T363 PolarHBondContact O-OG1 3.16Å; T360-T363 PolarHBondContact O-N 2.94Å; T361-T363 PolarHBondContact O-N 3.08Å |
| 364 | T | 45.9 | Very low | 51.4 | Low | 97 Ų | 97 | 114.4 Ų | 114.4 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -86.6 | -21.5 | -177.1 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | T360 T361 K366 S367 | T360-T364 PolarHBondContact O-OG1 3.07Å; T361-T364 PolarHBondContact O-N 2.86Å; T361-T364 PolarHBondContact O-OG1 3.03Å; T364-K366 PolarHBondContact O-N 2.7Å; T364-S367 PolarHBondContact O-N 3.47Å |
| 365 | I | 48.2 | Very low | 49.1 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 68% | 0.677 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -4.5 | -176.1 | -74.6 | 167 | 0 | 0 | 0 | 114.3 | T361 S367 | T361-I365 VanDerWaalsContact O-CD1 3.32Å; T361-I365 WeakPolarHBondContact O-CD1 3.19Å; T361-I365 VanDerWaalsContact O-CG1 3.27Å; T361-I365 WeakPolarHBondContact O-CG1 3.38Å; T361-I365 PolarHBondContact O-N 3.15Å; I365-S367 VanDerWaalsContact C-N 3.35Å |
| 366 | K | 43.7 | Very low | 47.2 | Very low | 199 Ų | 199 | 120.9 Ų | 120.9 | 87% | 0.865 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -1 | 172.5 | -76.5 | -179.6 | 178.1 | 171.1 | 0 | 115.4 | T364 | T364-K366 PolarHBondContact O-N 2.7Š|
| 367 | S | 33.7 | Very low | 45.4 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -112.6 | 72.5 | 176.9 | -67.2 | 0 | 0 | 0 | 0 | 112 | T364 I365 V369 | T364-S367 PolarHBondContact O-N 3.47Å; I365-S367 VanDerWaalsContact C-N 3.35Å; S367-V369 PolarHBondContact O-N 3.16Å |
| 368 | A | 33.6 | Very low | 44.2 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 78% | 0.777 | 69% | 0.694 | S | S | * | * | trans | -84.5 | 104.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 369 | V | 37.1 | Very low | 43.5 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -146.8 | 130.9 | 155.8 | 170.5 | 0 | 0 | 0 | 0 | 109.1 | S367 | S367-V369 PolarHBondContact O-N 3.16Š| ||
| 370 | H | 39.1 | Very low | 43.4 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | 50.9 | 108.9 | 171.2 | -72.7 | -65.6 | 0 | 0 | 0 | 119.8 | ||||
| 371 | P | 38.6 | Very low | 44.4 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | trans | -89.3 | 112.6 | 156.5 | 33.4 | -26.5 | 0 | 0 | 0 | 110.6 | ||||
| 372 | E | 35.1 | Very low | 45.8 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | trans | -123.3 | 117.2 | 165.9 | -71.4 | -164.2 | -178.8 | 0 | 0 | 110.7 | E374 | E372-E374 PolarHBondContact O-N 3.05Š| ||
| 373 | H | 35.4 | Very low | 47.4 | Very low | 182 Ų | 182 | 125 Ų | 125 | 84% | 0.843 | 67% | 0.667 | S | S | * | * | trans | 9.7 | 85 | 163.2 | -62.5 | -78.5 | 0 | 0 | 0 | 119 | ||||
| 374 | E | 39.6 | Very low | 49.4 | Very low | 160 Ų | 160 | 123.7 Ų | 123.7 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -104.6 | 115.8 | 144 | -72.9 | -163.2 | 146.3 | 0 | 0 | 109.4 | E372 N376 | E372-E374 PolarHBondContact O-N 3.05Å; E374-N376 PolarHBondContact O-N 3.18Å | ||
| 375 | D | 38 | Very low | 51.3 | Low | 140 Ų | 140 | 123.8 Ų | 123.8 | 75% | 0.749 | 64% | 0.643 | S | S | * | * | trans | -71.5 | 73.4 | 172.4 | -72.8 | -39.3 | 0 | 0 | 0 | 110.2 | N377 | D375-N377 PolarHBondContact O-N 2.85Å; D375-N377 VanDerWaalsContact O-N 3.09Å; D375-N377 PolarHBondContact O-ND2 2.65Å | ||
| 376 | N | 42.3 | Very low | 53.3 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 65% | 0.652 | 61% | 0.611 | S | S | * | * | trans | -65.5 | 108.6 | 174.2 | -85.9 | -70 | 0 | 0 | 0 | 109.5 | E374 E378 | E374-N376 PolarHBondContact O-N 3.18Å; N376-E378 VanDerWaalsContact C-N 3.33Å; N376-E378 PolarHBondContact O-N 2.98Å | ||
| 377 | N | 43.6 | Very low | 55.5 | Low | 113 Ų | 113 | 108.2 Ų | 108.2 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | trans | -75.3 | 81.5 | -176.9 | -77.9 | -106.9 | 0 | 0 | 0 | 110.4 | D375 E379 N380 | D375-N377 PolarHBondContact O-N 2.85Å; D375-N377 VanDerWaalsContact O-N 3.09Å; D375-N377 PolarHBondContact O-ND2 2.65Å; N377-E379 PolarHBondContact O-N 2.97Å; N377-E379 VanDerWaalsContact O-N 3.1Å; N377-N380 PolarHBondContact O-N 3.26Å | ||
| 378 | E | 51.2 | Low | 58.1 | Low | 179 Ų | 179 | 106.5 Ų | 106.5 | 84% | 0.836 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -52.1 | -33.3 | -178.5 | -63.8 | -173.2 | 137.2 | 0 | 0 | 113.1 | N376 N380 N381 | N376-E378 VanDerWaalsContact C-N 3.33Å; N376-E378 PolarHBondContact O-N 2.98Å; E378-N380 PolarHBondContact O-N 2.84Å; E378-N381 PolarHBondContact O-N 3Å |
| 379 | E | 51.7 | Low | 60.9 | Low | 165 Ų | 165 | 104 Ų | 104 | 77% | 0.771 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -53.4 | -23.5 | 176.3 | -69.9 | -164.6 | 134.6 | 0 | 0 | 114.4 | N377 R385 | N377-E379 PolarHBondContact O-N 2.97Å; N377-E379 VanDerWaalsContact O-N 3.1Å; E379-R385 PolarHBondContact O-NE 3.06Å; E379-R385 VanDerWaalsContact O-NE 3.1Å; E379-R385 PolarHBondContact O-NH2 3.39Å |
| 380 | N | 57.2 | Low | 63.6 | Low | 96 Ų | 96 | 98.1 Ų | 98.1 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -97.5 | 7.2 | -172.8 | -85.1 | -41.3 | 0 | 0 | 0 | 115.7 | N377 E378 P382 R385 | N377-N380 PolarHBondContact O-N 3.26Å; E378-N380 PolarHBondContact O-N 2.84Å; N380-P382 WeakPolarHBondContact O-CD 3.28Å; N380-R385 PolarHBondContact OD1-NH1 3.41Å; N380-R385 PolarHBondContact OD1-NH2 2.6Å |
| 381 | N | 77.8 | Confident | 66.1 | Low | 79 Ų | 79 | 92.3 Ų | 92.3 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | trans | -67.2 | 113.1 | 175.2 | -173.7 | -10.2 | 0 | 0 | 0 | 111.6 | E378 L383 Q384 R385 | E378-N381 PolarHBondContact O-N 3Å; N381-L383 VanDerWaalsContact C-N 3.27Å; N381-L383 PolarHBondContact O-N 3.47Å; N381-L383 WeakPolarHBondContact OD1-CB 3.47Å; N381-L383 PolarHBondContact OD1-N 3.33Å; N381-Q384 HydrophobicContact CB-CB 4.4Å; N381-Q384 PolarHBondContact O-N 2.94Å; N381-R385 PolarHBondContact O-N 3.25Å | ||
| 382 | P | 79.6 | Confident | 68.7 | Low | 30 Ų | 30 | 86.6 Ų | 86.6 | 20% | 0.195 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.3 | -23.9 | -177.3 | 29.4 | -35.4 | 0 | 0 | 0 | 112.9 | P309 N380 L386 | P309-P382 HydrophobicContact CB-CB 4.01Å; P309-P382 HydrophobicContact CB-CG 3.62Å; N380-P382 WeakPolarHBondContact O-CD 3.28Å; P382-L386 WeakPolarHBondContact O-CB 3.35Å; P382-L386 WeakPolarHBondContact O-CG 3.21Å; P382-L386 PolarHBondContact O-N 2.96Å |
| 383 | L | 81.2 | Confident | 71.3 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.209 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 176.9 | -75.6 | 159 | 0 | 0 | 0 | 112 | R353 N381 L386 A387 | R353-L383 HydrophobicContact CB-CD1 4.18Å; R353-L383 HydrophobicContact CB-CD2 4.04Å; N381-L383 VanDerWaalsContact C-N 3.27Å; N381-L383 PolarHBondContact O-N 3.47Å; N381-L383 WeakPolarHBondContact OD1-CB 3.47Å; N381-L383 PolarHBondContact OD1-N 3.33Å; L383-L386 PolarHBondContact O-N 3.44Å; L383-A387 PolarHBondContact O-N 2.97Å |
| 384 | Q | 84.4 | Confident | 74 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.4 | -46.2 | 175.2 | -171.6 | 56.4 | 41.8 | 0 | 0 | 110.6 | N381 L386 A387 D388 | N381-Q384 HydrophobicContact CB-CB 4.4Å; N381-Q384 PolarHBondContact O-N 2.94Å; Q384-L386 PolarHBondContact O-N 3.32Å; Q384-A387 WeakPolarHBondContact O-CA 3.24Å; Q384-A387 WeakPolarHBondContact O-CB 3.19Å; Q384-A387 PolarHBondContact O-N 3.12Å; Q384-D388 PolarHBondContact NE2-OD1 2.92Å; Q384-D388 PolarHBondContact O-N 3.49Å |
| 385 | R | 86.5 | Confident | 76.5 | Confident | 99 Ų | 99 | 66.4 Ų | 66.4 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -32.3 | 175.5 | -64.4 | 178.3 | 179.7 | 172.3 | -2.3 | 112.9 | L313 E379 N380 N381 I389 | L313-R385 HydrophobicContact CD1-CB 4.32Å; E379-R385 PolarHBondContact O-NE 3.06Å; E379-R385 VanDerWaalsContact O-NE 3.1Å; E379-R385 PolarHBondContact O-NH2 3.39Å; N380-R385 PolarHBondContact OD1-NH1 3.41Å; N380-R385 PolarHBondContact OD1-NH2 2.6Å; N381-R385 PolarHBondContact O-N 3.25Å; R385-I389 VanDerWaalsContact O-CD1 3.3Å; R385-I389 WeakPolarHBondContact O-CD1 3.42Å; R385-I389 VanDerWaalsContact O-CG1 3.25Å; R385-I389 WeakPolarHBondContact O-CG1 3.28Å; R385-I389 PolarHBondContact O-N 2.88Å |
| 386 | L | 90.3 | Very high | 79.1 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 171.2 | -80.1 | 169.7 | 0 | 0 | 0 | 112.1 | L312 L313 V316 I350 P382 L383 Q384 I389 V390 | L312-L386 HydrophobicContact CD2-CD1 3.97Å; L312-L386 HydrophobicContact CG-CD1 4.16Å; L312-L386 HydrophobicContact CG-CD2 4.45Å; L313-L386 HydrophobicContact CB-CD2 4.45Å; L313-L386 HydrophobicContact CD1-CD2 4Å; L313-L386 HydrophobicContact CD1-CG 4.14Å; V316-L386 HydrophobicContact CB-CD2 3.71Å; V316-L386 HydrophobicContact CG1-CD2 3.87Å; V316-L386 HydrophobicContact CG2-CD2 3.69Å; I350-L386 HydrophobicContact CD1-CB 3.91Å; I350-L386 HydrophobicContact CG1-CB 4.28Å; P382-L386 WeakPolarHBondContact O-CB 3.35Å; P382-L386 WeakPolarHBondContact O-CG 3.21Å; P382-L386 PolarHBondContact O-N 2.96Å; L383-L386 PolarHBondContact O-N 3.44Å; Q384-L386 PolarHBondContact O-N 3.32Å; L386-I389 PolarHBondContact O-N 3.26Å; L386-V390 WeakPolarHBondContact O-CB 3.42Å; L386-V390 WeakPolarHBondContact O-CG2 3.46Å; L386-V390 PolarHBondContact O-N 3.3Å |
| 387 | A | 89.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I350 L383 Q384 I389 V390 Q391 | I350-A387 HydrophobicContact CG2-CB 3.95Å; L383-A387 PolarHBondContact O-N 2.97Å; Q384-A387 WeakPolarHBondContact O-CA 3.24Å; Q384-A387 WeakPolarHBondContact O-CB 3.19Å; Q384-A387 PolarHBondContact O-N 3.12Å; A387-I389 PolarHBondContact O-N 2.99Å; A387-V390 PolarHBondContact O-N 2.92Å; A387-V390 VanDerWaalsContact O-N 3.09Å; A387-Q391 WeakPolarHBondContact O-CB 3.43Å; A387-Q391 PolarHBondContact O-N 2.79Å |
| 388 | D | 89.3 | Confident | 84 | Confident | 77 Ų | 77 | 50.4 Ų | 50.4 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.7 | -31 | -178.2 | -60.6 | -29.7 | 0 | 0 | 0 | 113.1 | R328 Q384 | R328-D388 WeakPolarHBondContact CD-O 3.48Å; R328-D388 PolarHBondContact NH1-O 3.46Å; Q384-D388 PolarHBondContact NE2-OD1 2.92Å; Q384-D388 PolarHBondContact O-N 3.49Å |
| 389 | I | 92.2 | Very high | 86.1 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82.9 | -29.5 | 179.1 | -67.1 | 166.7 | 0 | 0 | 0 | 112.4 | L313 V316 Q317 R385 L386 A387 | L313-I389 HydrophobicContact CD1-CD1 3.96Å; V316-I389 HydrophobicContact CG1-CG2 3.94Å; Q317-I389 HydrophobicContact CG-CD1 4.05Å; R385-I389 VanDerWaalsContact O-CD1 3.3Å; R385-I389 WeakPolarHBondContact O-CD1 3.42Å; R385-I389 VanDerWaalsContact O-CG1 3.25Å; R385-I389 WeakPolarHBondContact O-CG1 3.28Å; R385-I389 PolarHBondContact O-N 2.88Å; L386-I389 PolarHBondContact O-N 3.26Å; A387-I389 PolarHBondContact O-N 2.99Å |
| 390 | V | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -118 | -28.9 | -159.9 | -177.3 | 0 | 0 | 0 | 0 | 114.4 | V316 W343 L346 V347 L386 A387 P392 | V316-V390 HydrophobicContact CG1-CG2 3.43Å; V316-V390 VanDerWaalsContact CG1-CG2 3.43Å; W343-V390 PolarHBondContact NE1-O 2.88Å; L346-V390 HydrophobicContact CD2-CG1 3.98Å; L346-V390 HydrophobicContact CD2-CG2 4Å; L346-V390 HydrophobicContact CG-CG1 4.31Å; V347-V390 HydrophobicContact CG2-CG1 3.88Å; L386-V390 WeakPolarHBondContact O-CB 3.42Å; L386-V390 WeakPolarHBondContact O-CG2 3.46Å; L386-V390 PolarHBondContact O-N 3.3Å; A387-V390 PolarHBondContact O-N 2.92Å; A387-V390 VanDerWaalsContact O-N 3.09Å; V390-P392 WeakPolarHBondContact O-CD 3.43Å |
| 391 | Q | 91.8 | Very high | 89.9 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 16% | 0.159 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 118.7 | -176 | -69.9 | 179.5 | -16.4 | 0 | 0 | 111.3 | R328 V347 A387 | R328-Q391 PolarHBondContact NE-O 2.59Å; R328-Q391 PolarHBondContact NH1-O 2.91Å; R328-Q391 PolarHBondContact NH2-O 2.93Å; V347-Q391 HydrophobicContact CG1-CG 4.34Å; V347-Q391 HydrophobicContact CG2-CG 4.28Å; A387-Q391 WeakPolarHBondContact O-CB 3.43Å; A387-Q391 PolarHBondContact O-N 2.79Å |
| 392 | P | 92.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 164.6 | 173.3 | 33.2 | -37.1 | 0 | 0 | 0 | 111.2 | I329 W343 V390 L438 | I329-P392 HydrophobicContact CG2-CB 3.78Å; I329-P392 HydrophobicContact CG2-CG 4.42Å; W343-P392 HydrophobicContact CH2-CG 4.35Å; W343-P392 HydrophobicContact CZ2-CG 3.82Å; V390-P392 WeakPolarHBondContact O-CD 3.43Å; P392-L438 HydrophobicContact CG-CD2 4.23Å |
| 393 | S | 90.8 | Very high | 91.5 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 150 | 165.1 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | S395 V396 Y397 | S393-S395 VanDerWaalsContact C-N 3.27Å; S393-S395 PolarHBondContact O-N 3.46Å; S393-V396 PolarHBondContact O-N 3.38Å; S393-V396 WeakPolarHBondContact OG-CG2 3.16Å; S393-Y397 PolarHBondContact O-N 3.48Å |
| 394 | V | 91.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.3 | -44.5 | -179 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | V396 Y397 V398 D439 L440 D442 | V394-V396 VanDerWaalsContact C-N 3.31Å; V394-V396 PolarHBondContact O-N 2.9Å; V394-Y397 PolarHBondContact O-N 3.49Å; V394-V398 HydrophobicContact CG1-CG2 4.31Å; V394-V398 WeakPolarHBondContact O-CB 3.49Å; V394-V398 VanDerWaalsContact O-CG2 3.26Å; V394-V398 WeakPolarHBondContact O-CG2 3.39Å; V394-V398 PolarHBondContact O-N 3.05Å; V394-D439 WeakPolarHBondContact CG2-O 3.21Å; V394-L440 HydrophobicContact CG1-CD2 4.07Å; V394-L440 HydrophobicContact CG2-CD2 4.11Å; V394-D442 HydrophobicContact CB-CB 4.09Å; V394-D442 HydrophobicContact CG2-CB 4.03Å |
| 395 | S | 91.5 | Very high | 92.6 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -37.1 | 177.8 | -72.1 | 0 | 0 | 0 | 0 | 113.8 | S393 D399 D442 G445 R448 | S393-S395 VanDerWaalsContact C-N 3.27Å; S393-S395 PolarHBondContact O-N 3.46Å; S395-D399 VanDerWaalsContact O-OD2 3.05Å; S395-D442 PolarHBondContact N-OD2 3.09Å; S395-D442 PolarHBondContact OG-OD2 3.1Å; S395-G445 WeakPolarHBondContact OG-CA 3.45Å; S395-G445 PolarHBondContact OG-N 3Å; S395-R448 PolarHBondContact O-NH1 3.47Å |
| 396 | V | 93.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 24% | 0.236 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -80.2 | -38.8 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | D327 I329 S393 V394 V398 D399 L400 | D327-V396 HydrophobicContact CB-CG1 4Å; I329-V396 HydrophobicContact CD1-CG1 3.98Å; I329-V396 HydrophobicContact CG1-CG1 4.33Å; I329-V396 HydrophobicContact CG2-CG1 3.74Å; S393-V396 PolarHBondContact O-N 3.38Å; S393-V396 WeakPolarHBondContact OG-CG2 3.16Å; V394-V396 VanDerWaalsContact C-N 3.31Å; V394-V396 PolarHBondContact O-N 2.9Å; V396-V398 VanDerWaalsContact C-N 3.26Å; V396-V398 PolarHBondContact O-N 3.26Å; V396-D399 PolarHBondContact O-N 3.34Å; V396-L400 PolarHBondContact O-N 2.94Å; V396-L400 VanDerWaalsContact O-N 3.08Å |
| 397 | Y | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.9 | -40.7 | 172.6 | 163.7 | -90.7 | 0 | 0 | 0 | 111.6 | S393 V394 D399 L400 A401 I431 M434 A435 L438 L449 | S393-Y397 PolarHBondContact O-N 3.48Å; V394-Y397 PolarHBondContact O-N 3.49Å; Y397-D399 VanDerWaalsContact C-N 3.34Å; Y397-D399 PolarHBondContact O-N 3.11Å; Y397-L400 PolarHBondContact O-N 3.15Å; Y397-A401 HydrophobicContact CE1-CB 4.18Å; Y397-A401 VanDerWaalsContact O-CB 3.3Å; Y397-A401 WeakPolarHBondContact O-CB 3.17Å; Y397-A401 PolarHBondContact O-N 2.93Å; Y397-I431 HydrophobicContact CE2-CG2 3.69Å; Y397-I431 WeakPolarHBondContact CE2-O 3.2Å; Y397-I431 PolarHBondContact OH-O 2.63Å; Y397-M434 HydrophobicContact CD2-CE 3.75Å; Y397-M434 HydrophobicContact CE2-CE 3.89Å; Y397-A435 HydrophobicContact CE1-CB 3.9Å; Y397-L438 HydrophobicContact CD1-CD1 3.93Å; Y397-L438 HydrophobicContact CD2-CD1 3.67Å; Y397-L438 HydrophobicContact CE1-CD1 4.48Å; Y397-L438 HydrophobicContact CE2-CD1 4.22Å; Y397-L438 HydrophobicContact CG-CD1 3.52Å; Y397-L449 HydrophobicContact CD1-CD2 4.49Å; Y397-L449 HydrophobicContact CE1-CD1 3.97Å; Y397-L449 HydrophobicContact CE1-CD2 4.04Å |
| 398 | V | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 175.4 | 155.2 | 0 | 0 | 0 | 0 | 112.2 | V394 V396 A401 K402 R448 L449 L452 | V394-V398 HydrophobicContact CG1-CG2 4.31Å; V394-V398 WeakPolarHBondContact O-CB 3.49Å; V394-V398 VanDerWaalsContact O-CG2 3.26Å; V394-V398 WeakPolarHBondContact O-CG2 3.39Å; V394-V398 PolarHBondContact O-N 3.05Å; V396-V398 VanDerWaalsContact C-N 3.26Å; V396-V398 PolarHBondContact O-N 3.26Å; V398-A401 PolarHBondContact O-N 2.89Å; V398-K402 PolarHBondContact O-N 2.83Å; V398-R448 HydrophobicContact CG1-CB 3.81Å; V398-R448 VanDerWaalsContact CG1-CZ 3.49Å; V398-R448 HydrophobicContact CG2-CB 4.44Å; V398-L449 HydrophobicContact CG2-CB 3.69Å; V398-L449 HydrophobicContact CG2-CD1 4.03Å; V398-L449 HydrophobicContact CG2-CG 4.32Å; V398-L452 HydrophobicContact CG1-CD1 3.78Å |
| 399 | D | 94.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 31 Ų | 31 | 39% | 0.39 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -71.6 | -36.3 | 179.6 | -70.3 | -45.4 | 0 | 0 | 0 | 112 | S395 V396 Y397 T403 R448 | S395-D399 VanDerWaalsContact O-OD2 3.05Å; V396-D399 PolarHBondContact O-N 3.34Å; Y397-D399 VanDerWaalsContact C-N 3.34Å; Y397-D399 PolarHBondContact O-N 3.11Å; D399-T403 WeakPolarHBondContact O-CB 3.36Å; D399-T403 PolarHBondContact O-N 3.42Å; D399-T403 VanDerWaalsContact O-N 3.1Å; D399-T403 PolarHBondContact O-OG1 2.87Å; D399-R448 VanDerWaalsContact CG-NH1 3.33Å; D399-R448 IonicContact OD1-CZ 3.52Å; D399-R448 IonicContact OD1-NH1 3.55Å; D399-R448 PolarHBondContact OD1-NH1 2.59Å; D399-R448 VanDerWaalsContact OD1-NH1 3.13Å; D399-R448 IonicContact OD1-NH2 3.91Å; D399-R448 PolarHBondContact OD1-NH2 3.07Å; D399-R448 IonicContact OD2-CZ 2.72Å; D399-R448 IonicContact OD2-NH1 3.29Å; D399-R448 PolarHBondContact OD2-NH1 3.2Å; D399-R448 IonicContact OD2-NH2 2.99Å |
| 400 | L | 94.9 | Very high | 92.8 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -50.4 | 169.9 | 178.3 | 70.2 | 0 | 0 | 0 | 111.5 | I329 L335 W343 V396 Y397 K402 T403 V404 I431 | I329-L400 HydrophobicContact CB-CD2 4.14Å; I329-L400 HydrophobicContact CD1-CB 4.45Å; I329-L400 HydrophobicContact CG2-CD2 4.18Å; L335-L400 HydrophobicContact CD1-CD1 4.4Å; L335-L400 HydrophobicContact CD2-CD1 4.3Å; W343-L400 HydrophobicContact CH2-CD2 3.61Å; W343-L400 HydrophobicContact CZ3-CD2 3.6Å; V396-L400 PolarHBondContact O-N 2.94Å; V396-L400 VanDerWaalsContact O-N 3.08Å; Y397-L400 PolarHBondContact O-N 3.15Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 PolarHBondContact O-N 3.03Å; L400-T403 WeakPolarHBondContact O-CA 3.37Å; L400-T403 WeakPolarHBondContact O-CB 3.36Å; L400-T403 PolarHBondContact O-N 2.94Å; L400-V404 HydrophobicContact CD1-CG1 4.4Å; L400-V404 PolarHBondContact O-N 3.03Å; L400-I431 HydrophobicContact CD2-CD1 4.11Å; L400-I431 HydrophobicContact CG-CD1 4.35Å |
| 401 | A | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -41.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y397 V398 V404 V405 I431 W456 | Y397-A401 HydrophobicContact CE1-CB 4.18Å; Y397-A401 VanDerWaalsContact O-CB 3.3Å; Y397-A401 WeakPolarHBondContact O-CB 3.17Å; Y397-A401 PolarHBondContact O-N 2.93Å; V398-A401 PolarHBondContact O-N 2.89Å; A401-V404 VanDerWaalsContact O-CG2 3.27Å; A401-V404 WeakPolarHBondContact O-CG2 3.44Å; A401-V405 WeakPolarHBondContact O-CG2 3.38Å; A401-V405 PolarHBondContact O-N 3.33Å; A401-V405 VanDerWaalsContact O-N 3.14Å; A401-I431 HydrophobicContact CB-CG2 4.07Å; A401-W456 HydrophobicContact CB-CH2 3.82Å |
| 402 | K | 95 | Very high | 91.9 | Very high | 89 Ų | 89 | 37.8 Ų | 37.8 | 39% | 0.387 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -49 | 170 | -177.1 | 166.5 | -178.6 | 164.4 | 0 | 112.5 | V398 L400 V404 V405 D406 L452 W456 | V398-K402 PolarHBondContact O-N 2.83Å; L400-K402 VanDerWaalsContact C-N 3.29Å; L400-K402 PolarHBondContact O-N 3.03Å; K402-V404 VanDerWaalsContact C-N 3.27Å; K402-V404 PolarHBondContact O-N 3.31Å; K402-V405 PolarHBondContact O-N 2.77Å; K402-D406 WeakPolarHBondContact CE-OD2 3.45Å; K402-D406 WeakPolarHBondContact CG-OD2 3.2Å; K402-D406 VanDerWaalsContact O-CB 3.32Å; K402-D406 WeakPolarHBondContact O-CB 3.45Å; K402-D406 VanDerWaalsContact O-CG 3.29Å; K402-D406 PolarHBondContact O-N 2.82Å; K402-L452 HydrophobicContact CB-CD1 4.07Å; K402-L452 HydrophobicContact CD-CD2 4.03Å; K402-W456 HydrophobicContact CB-CZ2 4.22Å |
| 403 | T | 94.7 | Very high | 91.5 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.5 | -38.1 | -177.5 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | D399 L400 K407 | D399-T403 WeakPolarHBondContact O-CB 3.36Å; D399-T403 PolarHBondContact O-N 3.42Å; D399-T403 VanDerWaalsContact O-N 3.1Å; D399-T403 PolarHBondContact O-OG1 2.87Å; L400-T403 WeakPolarHBondContact O-CA 3.37Å; L400-T403 WeakPolarHBondContact O-CB 3.36Å; L400-T403 PolarHBondContact O-N 2.94Å; T403-K407 VanDerWaalsContact O-CB 3.29Å; T403-K407 WeakPolarHBondContact O-CB 3.33Å; T403-K407 PolarHBondContact O-N 3.09Å |
| 404 | V | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -76.9 | -37 | 178 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | L335 L400 A401 K402 K407 L408 V427 V428 I431 | L335-V404 HydrophobicContact CD1-CG1 4.05Å; L335-V404 HydrophobicContact CD2-CG1 4.33Å; L400-V404 HydrophobicContact CD1-CG1 4.4Å; L400-V404 PolarHBondContact O-N 3.03Å; A401-V404 VanDerWaalsContact O-CG2 3.27Å; A401-V404 WeakPolarHBondContact O-CG2 3.44Å; K402-V404 VanDerWaalsContact C-N 3.27Å; K402-V404 PolarHBondContact O-N 3.31Å; V404-K407 PolarHBondContact O-N 2.79Å; V404-L408 PolarHBondContact O-N 3.44Å; V404-V427 HydrophobicContact CG1-CG1 4.48Å; V404-V428 HydrophobicContact CB-CG2 3.94Å; V404-V428 HydrophobicContact CG2-CG2 3.9Å; V404-I431 HydrophobicContact CB-CD1 4.33Å; V404-I431 HydrophobicContact CG1-CD1 3.83Å; V404-I431 HydrophobicContact CG2-CD1 3.78Å; V404-I431 HydrophobicContact CG2-CG2 4.29Å |
| 405 | V | 93.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 175.9 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | A401 K402 K407 L408 V409 V428 W456 V462 | A401-V405 WeakPolarHBondContact O-CG2 3.38Å; A401-V405 PolarHBondContact O-N 3.33Å; A401-V405 VanDerWaalsContact O-N 3.14Å; K402-V405 PolarHBondContact O-N 2.77Å; V405-K407 PolarHBondContact O-N 3.09Å; V405-L408 PolarHBondContact O-N 3.25Å; V405-V409 WeakPolarHBondContact O-CG2 3.43Å; V405-V409 PolarHBondContact O-N 3.19Å; V405-V428 HydrophobicContact CG2-CG1 3.84Å; V405-V428 HydrophobicContact CG2-CG2 4.34Å; V405-W456 HydrophobicContact CB-CZ2 4.36Å; V405-W456 HydrophobicContact CG1-CD2 4.27Å; V405-W456 HydrophobicContact CG1-CG 4.01Å; V405-W456 HydrophobicContact CG2-CD2 4.25Å; V405-W456 HydrophobicContact CG2-CZ2 4.2Å; V405-V462 HydrophobicContact CG1-CG2 4.08Å |
| 406 | D | 92.7 | Very high | 88.6 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.7 | -35.9 | 175.6 | -71.6 | -0.8 | 0 | 0 | 0 | 110.9 | K402 Q410 | K402-D406 WeakPolarHBondContact CE-OD2 3.45Å; K402-D406 WeakPolarHBondContact CG-OD2 3.2Å; K402-D406 VanDerWaalsContact O-CB 3.32Å; K402-D406 WeakPolarHBondContact O-CB 3.45Å; K402-D406 VanDerWaalsContact O-CG 3.29Å; K402-D406 PolarHBondContact O-N 2.82Å; D406-Q410 VanDerWaalsContact O-CG 3.26Å; D406-Q410 WeakPolarHBondContact O-CG 3.46Å; D406-Q410 PolarHBondContact O-N 2.89Å; D406-Q410 VanDerWaalsContact O-N 3.16Å; D406-Q410 PolarHBondContact O-NE2 3.22Å |
| 407 | K | 90.6 | Very high | 87.1 | Confident | 85 Ų | 85 | 58 Ų | 58 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.2 | -47.1 | 174.9 | -175.7 | -171.6 | 175.2 | -163.6 | 0 | 112.2 | T403 V404 V405 V409 Q410 T411 Q424 | T403-K407 VanDerWaalsContact O-CB 3.29Å; T403-K407 WeakPolarHBondContact O-CB 3.33Å; T403-K407 PolarHBondContact O-N 3.09Å; V404-K407 PolarHBondContact O-N 2.79Å; V405-K407 PolarHBondContact O-N 3.09Å; K407-V409 VanDerWaalsContact C-N 3.33Å; K407-V409 PolarHBondContact O-N 2.96Å; K407-Q410 WeakPolarHBondContact O-CB 3.42Å; K407-Q410 PolarHBondContact O-N 3.4Å; K407-Q410 VanDerWaalsContact O-N 3.14Å; K407-T411 PolarHBondContact O-N 3.06Å; K407-T411 PolarHBondContact O-OG1 2.93Å; K407-Q424 VanDerWaalsContact CE-OE1 3.25Å |
| 408 | L | 90.6 | Very high | 86.2 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 176.8 | 174.1 | 62.4 | 0 | 0 | 0 | 111.2 | V404 V405 Q410 T411 V412 Q424 E425 V428 L466 | V404-L408 PolarHBondContact O-N 3.44Å; V405-L408 PolarHBondContact O-N 3.25Å; L408-Q410 VanDerWaalsContact C-N 3.3Å; L408-Q410 PolarHBondContact O-N 3.29Å; L408-T411 PolarHBondContact O-N 3.07Å; L408-T411 VanDerWaalsContact O-N 3.15Å; L408-V412 HydrophobicContact CD1-CG2 4.1Å; L408-V412 WeakPolarHBondContact O-CG2 3.41Å; L408-V412 PolarHBondContact O-N 3.44Å; L408-Q424 HydrophobicContact CD1-CB 3.99Å; L408-E425 HydrophobicContact CD1-CB 4.1Å; L408-E425 HydrophobicContact CD2-CB 4.16Å; L408-E425 HydrophobicContact CD2-CG 4.19Å; L408-V428 HydrophobicContact CB-CG2 4.2Å; L408-V428 HydrophobicContact CD2-CB 4.26Å; L408-V428 HydrophobicContact CD2-CG1 4.43Å; L408-V428 HydrophobicContact CD2-CG2 4.03Å; L408-L466 HydrophobicContact CD2-CD1 3.88Å |
| 409 | V | 89.6 | Confident | 85.6 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 176 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | V405 K407 L413 Q461 V462 | V405-V409 WeakPolarHBondContact O-CG2 3.43Å; V405-V409 PolarHBondContact O-N 3.19Å; K407-V409 VanDerWaalsContact C-N 3.33Å; K407-V409 PolarHBondContact O-N 2.96Å; V409-L413 HydrophobicContact CG1-CD1 3.73Å; V409-L413 HydrophobicContact CG1-CG 4.35Å; V409-L413 WeakPolarHBondContact O-CB 3.42Å; V409-L413 WeakPolarHBondContact O-CG 3.3Å; V409-L413 PolarHBondContact O-N 3.15Å; V409-Q461 HydrophobicContact CG1-CB 3.87Å; V409-V462 HydrophobicContact CG2-CG2 3.84Å |
| 410 | Q | 88.4 | Confident | 85.1 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 174.5 | -74.1 | 164.1 | 59.4 | 0 | 0 | 112.6 | D406 K407 L408 L413 A414 | D406-Q410 VanDerWaalsContact O-CG 3.26Å; D406-Q410 WeakPolarHBondContact O-CG 3.46Å; D406-Q410 PolarHBondContact O-N 2.89Å; D406-Q410 VanDerWaalsContact O-N 3.16Å; D406-Q410 PolarHBondContact O-NE2 3.22Å; K407-Q410 WeakPolarHBondContact O-CB 3.42Å; K407-Q410 PolarHBondContact O-N 3.4Å; K407-Q410 VanDerWaalsContact O-N 3.14Å; L408-Q410 VanDerWaalsContact C-N 3.3Å; L408-Q410 PolarHBondContact O-N 3.29Å; Q410-L413 PolarHBondContact O-N 3.46Å; Q410-A414 VanDerWaalsContact O-CB 3.26Å; Q410-A414 WeakPolarHBondContact O-CB 3.44Å; Q410-A414 PolarHBondContact O-N 2.89Å |
| 411 | T | 86.2 | Confident | 84.7 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 9% | 0.086 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | K407 L408 A414 Q415 E416 A421 | K407-T411 PolarHBondContact O-N 3.06Å; K407-T411 PolarHBondContact O-OG1 2.93Å; L408-T411 PolarHBondContact O-N 3.07Å; L408-T411 VanDerWaalsContact O-N 3.15Å; T411-A414 PolarHBondContact O-N 2.88Å; T411-Q415 PolarHBondContact O-N 3.03Å; T411-E416 HydrophobicContact CG2-CB 4.12Å; T411-A421 HydrophobicContact CG2-CB 4.36Å |
| 412 | V | 81.8 | Confident | 84.3 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L408 A414 Q415 A421 | L408-V412 HydrophobicContact CD1-CG2 4.1Å; L408-V412 WeakPolarHBondContact O-CG2 3.41Å; L408-V412 PolarHBondContact O-N 3.44Å; V412-A414 VanDerWaalsContact C-N 3.25Å; V412-A414 PolarHBondContact O-N 3.19Å; V412-Q415 PolarHBondContact O-N 3.25Å; V412-A421 HydrophobicContact CG2-CB 4.4Å |
| 413 | L | 83.3 | Confident | 84 | Confident | 108 Ų | 108 | 76.2 Ų | 76.2 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.1 | -25.7 | 177.2 | -71.9 | 172.6 | 0 | 0 | 0 | 113.4 | V409 Q410 Q415 | V409-L413 HydrophobicContact CG1-CD1 3.73Å; V409-L413 HydrophobicContact CG1-CG 4.35Å; V409-L413 WeakPolarHBondContact O-CB 3.42Å; V409-L413 WeakPolarHBondContact O-CG 3.3Å; V409-L413 PolarHBondContact O-N 3.15Å; Q410-L413 PolarHBondContact O-N 3.46Å; L413-Q415 VanDerWaalsContact C-N 3.33Å |
| 414 | A | 81.9 | Confident | 83.8 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -78.2 | -13.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q410 T411 V412 E416 | Q410-A414 VanDerWaalsContact O-CB 3.26Å; Q410-A414 WeakPolarHBondContact O-CB 3.44Å; Q410-A414 PolarHBondContact O-N 2.89Å; T411-A414 PolarHBondContact O-N 2.88Å; V412-A414 VanDerWaalsContact C-N 3.25Å; V412-A414 PolarHBondContact O-N 3.19Å; A414-E416 VanDerWaalsContact C-N 3.27Å; A414-E416 HydrophobicContact CB-CG 4.22Å; A414-E416 PolarHBondContact O-N 2.72Å |
| 415 | Q | 71.9 | Confident | 83.6 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 41.2 | -168.9 | -54.5 | -179.8 | -33.2 | 0 | 0 | 112.2 | T411 V412 L413 | T411-Q415 PolarHBondContact O-N 3.03Å; V412-Q415 PolarHBondContact O-N 3.25Å; L413-Q415 VanDerWaalsContact C-N 3.33Å |
| 416 | E | 60.4 | Low | 83.5 | Confident | 86 Ų | 86 | 74.9 Ų | 74.9 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | trans | -69.8 | 154.7 | 166.1 | -73.3 | -161.1 | -141.5 | 0 | 0 | 110.7 | T411 A414 D418 K420 | T411-E416 HydrophobicContact CG2-CB 4.12Å; A414-E416 VanDerWaalsContact C-N 3.27Å; A414-E416 HydrophobicContact CB-CG 4.22Å; A414-E416 PolarHBondContact O-N 2.72Å; E416-D418 PolarHBondContact O-N 3.38Å; E416-K420 WeakPolarHBondContact OE2-CD 3.23Å; E416-K420 IonicContact OE2-NZ 2.79Å; E416-K420 PolarHBondContact OE2-NZ 3.43Å | ||
| 417 | F | 61.5 | Low | 83.6 | Confident | 173 Ų | 173 | 72 Ų | 72 | 76% | 0.759 | 36% | 0.361 | S | S | * | . | trans | -42.6 | 131.3 | -179 | -75.1 | -94.1 | 0 | 0 | 0 | 113.1 | E419 K420 | F417-E419 PolarHBondContact O-N 2.97Å; F417-E419 VanDerWaalsContact O-N 3.09Å; F417-K420 PolarHBondContact O-N 2.92Å | ||
| 418 | D | 74.7 | Confident | 83.8 | Confident | 129 Ų | 129 | 68 Ų | 68 | 69% | 0.69 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -53.4 | -37.4 | -171.1 | -56 | -57.7 | 0 | 0 | 0 | 113 | E416 K420 A421 I422 | E416-D418 PolarHBondContact O-N 3.38Å; D418-K420 VanDerWaalsContact C-N 3.31Å; D418-K420 PolarHBondContact O-N 3.45Å; D418-A421 WeakPolarHBondContact O-CA 3.36Å; D418-A421 WeakPolarHBondContact O-CB 3.39Å; D418-A421 PolarHBondContact O-N 3.27Å; D418-I422 VanDerWaalsContact O-CG1 3.29Å; D418-I422 WeakPolarHBondContact O-CG1 3.49Å; D418-I422 PolarHBondContact O-N 3.43Å |
| 419 | E | 81.2 | Confident | 84 | Confident | 148 Ų | 148 | 70 Ų | 70 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -49.1 | -46.4 | 174.3 | -174.8 | 176.8 | -141.2 | 0 | 0 | 112.8 | F417 I422 E423 | F417-E419 PolarHBondContact O-N 2.97Å; F417-E419 VanDerWaalsContact O-N 3.09Å; E419-I422 PolarHBondContact O-N 2.77Å; E419-E423 PolarHBondContact O-N 3.1Å |
| 420 | K | 84.9 | Confident | 84.2 | Confident | 94 Ų | 94 | 69.8 Ų | 69.8 | 41% | 0.409 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.3 | -34.9 | 176.5 | -70.1 | -174.1 | -175.4 | 179.2 | 0 | 112.8 | E416 F417 D418 I422 Q424 | E416-K420 WeakPolarHBondContact OE2-CD 3.23Å; E416-K420 IonicContact OE2-NZ 2.79Å; E416-K420 PolarHBondContact OE2-NZ 3.43Å; F417-K420 PolarHBondContact O-N 2.92Å; D418-K420 VanDerWaalsContact C-N 3.31Å; D418-K420 PolarHBondContact O-N 3.45Å; K420-I422 VanDerWaalsContact C-N 3.31Å; K420-Q424 WeakPolarHBondContact O-CB 3.45Å; K420-Q424 VanDerWaalsContact O-CG 3.3Å; K420-Q424 WeakPolarHBondContact O-CG 3.46Å; K420-Q424 PolarHBondContact O-N 3.01Å |
| 421 | A | 85.7 | Confident | 84.5 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 12% | 0.124 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T411 V412 D418 Q424 E425 | T411-A421 HydrophobicContact CG2-CB 4.36Å; V412-A421 HydrophobicContact CG2-CB 4.4Å; D418-A421 WeakPolarHBondContact O-CA 3.36Å; D418-A421 WeakPolarHBondContact O-CB 3.39Å; D418-A421 PolarHBondContact O-N 3.27Å; A421-Q424 PolarHBondContact O-N 3.38Å; A421-E425 VanDerWaalsContact O-CB 3.28Å; A421-E425 WeakPolarHBondContact O-CB 3.49Å; A421-E425 PolarHBondContact O-N 2.98Å |
| 422 | I | 86.1 | Confident | 84.9 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 46% | 0.456 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175.8 | -60.8 | 160.9 | 0 | 0 | 0 | 111.1 | E290 D418 E419 K420 Q424 E425 C426 | E290-I422 HydrophobicContact CG-CG2 4.49Å; E290-I422 WeakPolarHBondContact OE1-CG2 3.43Å; D418-I422 VanDerWaalsContact O-CG1 3.29Å; D418-I422 WeakPolarHBondContact O-CG1 3.49Å; D418-I422 PolarHBondContact O-N 3.43Å; E419-I422 PolarHBondContact O-N 2.77Å; K420-I422 VanDerWaalsContact C-N 3.31Å; I422-Q424 VanDerWaalsContact C-N 3.33Å; I422-Q424 PolarHBondContact O-N 2.86Å; I422-E425 PolarHBondContact O-N 3.13Å; I422-C426 WeakPolarHBondContact O-CB 3.46Å; I422-C426 PolarHBondContact O-N 3.3Å |
| 423 | E | 89.5 | Confident | 85.4 | Confident | 82 Ų | 82 | 62 Ų | 62 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.4 | -48.2 | 174.2 | -79.2 | -168.8 | 151.4 | 0 | 0 | 111.7 | P337 E419 C426 V427 | P337-E423 HydrophobicContact CG-CB 4.29Å; P337-E423 HydrophobicContact CG-CG 4.4Å; E419-E423 PolarHBondContact O-N 3.1Å; E423-C426 PolarHBondContact O-N 3.41Å; E423-V427 WeakPolarHBondContact O-CG2 3.27Å; E423-V427 PolarHBondContact O-N 3Å |
| 424 | Q | 90.4 | Very high | 85.9 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -33.8 | -178.9 | -65.7 | -50.4 | -82.3 | 0 | 0 | 112.1 | K407 L408 K420 A421 I422 V427 V428 | K407-Q424 VanDerWaalsContact CE-OE1 3.25Å; L408-Q424 HydrophobicContact CD1-CB 3.99Å; K420-Q424 WeakPolarHBondContact O-CB 3.45Å; K420-Q424 VanDerWaalsContact O-CG 3.3Å; K420-Q424 WeakPolarHBondContact O-CG 3.46Å; K420-Q424 PolarHBondContact O-N 3.01Å; A421-Q424 PolarHBondContact O-N 3.38Å; I422-Q424 VanDerWaalsContact C-N 3.33Å; I422-Q424 PolarHBondContact O-N 2.86Å; Q424-V427 PolarHBondContact O-N 2.85Å; Q424-V428 WeakPolarHBondContact O-CG2 3.05Å; Q424-V428 PolarHBondContact O-N 3.06Å |
| 425 | E | 90.4 | Very high | 86.3 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 173.5 | -167.4 | 168.9 | 131.1 | 0 | 0 | 110.9 | L408 A421 I422 V427 V428 E429 T465 L466 | L408-E425 HydrophobicContact CD1-CB 4.1Å; L408-E425 HydrophobicContact CD2-CB 4.16Å; L408-E425 HydrophobicContact CD2-CG 4.19Å; A421-E425 VanDerWaalsContact O-CB 3.28Å; A421-E425 WeakPolarHBondContact O-CB 3.49Å; A421-E425 PolarHBondContact O-N 2.98Å; I422-E425 PolarHBondContact O-N 3.13Å; E425-V427 PolarHBondContact O-N 3.41Å; E425-V428 PolarHBondContact O-N 3.21Å; E425-V428 VanDerWaalsContact O-N 3.16Å; E425-E429 WeakPolarHBondContact O-CG 3.41Å; E425-E429 PolarHBondContact O-N 2.94Å; E425-T465 WeakPolarHBondContact OE1-CB 3.27Å; E425-T465 PolarHBondContact OE1-OG1 3.05Å; E425-T465 PolarHBondContact OE2-OG1 2.9Å; E425-L466 HydrophobicContact CG-CD2 3.85Å; E425-L466 HydrophobicContact CG-CG 4.28Å |
| 426 | C | 92.4 | Very high | 87 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 10% | 0.095 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 173.4 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | E290 P337 I422 E423 V428 E429 Q430 | E290-C426 HydrophobicContact CG-CB 4.27Å; P337-C426 HydrophobicContact CB-CB 4.42Å; P337-C426 HydrophobicContact CG-CB 4.47Å; I422-C426 WeakPolarHBondContact O-CB 3.46Å; I422-C426 PolarHBondContact O-N 3.3Å; E423-C426 PolarHBondContact O-N 3.41Å; C426-V428 VanDerWaalsContact C-N 3.34Å; C426-V428 PolarHBondContact O-N 3.14Å; C426-E429 PolarHBondContact O-N 2.9Å; C426-Q430 WeakPolarHBondContact O-CG 3.33Å; C426-Q430 PolarHBondContact O-N 3.49Å |
| 427 | V | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 174.8 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | L335 T336 P337 T340 V404 E423 Q424 E425 Q430 I431 | L335-V427 HydrophobicContact CD2-CG1 4.37Å; T336-V427 VanDerWaalsContact C-CG2 3.49Å; P337-V427 HydrophobicContact CG-CG2 4.21Å; T340-V427 HydrophobicContact CG2-CG1 4.3Å; V404-V427 HydrophobicContact CG1-CG1 4.48Å; E423-V427 WeakPolarHBondContact O-CG2 3.27Å; E423-V427 PolarHBondContact O-N 3Å; Q424-V427 PolarHBondContact O-N 2.85Å; E425-V427 PolarHBondContact O-N 3.41Å; V427-Q430 PolarHBondContact O-N 2.89Å; V427-I431 HydrophobicContact CG1-CD1 3.95Å; V427-I431 WeakPolarHBondContact O-CG1 3.1Å; V427-I431 PolarHBondContact O-N 3.02Å |
| 428 | V | 94.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.3 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | V404 V405 L408 Q424 E425 C426 Q430 I431 L432 L466 | V404-V428 HydrophobicContact CB-CG2 3.94Å; V404-V428 HydrophobicContact CG2-CG2 3.9Å; V405-V428 HydrophobicContact CG2-CG1 3.84Å; V405-V428 HydrophobicContact CG2-CG2 4.34Å; L408-V428 HydrophobicContact CB-CG2 4.2Å; L408-V428 HydrophobicContact CD2-CB 4.26Å; L408-V428 HydrophobicContact CD2-CG1 4.43Å; L408-V428 HydrophobicContact CD2-CG2 4.03Å; Q424-V428 WeakPolarHBondContact O-CG2 3.05Å; Q424-V428 PolarHBondContact O-N 3.06Å; E425-V428 PolarHBondContact O-N 3.21Å; E425-V428 VanDerWaalsContact O-N 3.16Å; C426-V428 VanDerWaalsContact C-N 3.34Å; C426-V428 PolarHBondContact O-N 3.14Å; V428-Q430 PolarHBondContact O-N 3.18Å; V428-I431 PolarHBondContact O-N 3.06Å; V428-L432 HydrophobicContact CG1-CD1 3.68Å; V428-L432 HydrophobicContact CG1-CG 4.18Å; V428-L432 WeakPolarHBondContact O-CB 3.38Å; V428-L432 VanDerWaalsContact O-CG 3.31Å; V428-L432 WeakPolarHBondContact O-CG 3.34Å; V428-L432 PolarHBondContact O-N 3.16Å; V428-L466 HydrophobicContact CG1-CD1 3.77Å; V428-L466 HydrophobicContact CG1-CD2 4.01Å |
| 429 | E | 93.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 176.3 | -73.4 | -156.9 | 158.2 | 0 | 0 | 112.8 | E425 C426 S433 L466 Q469 | E425-E429 WeakPolarHBondContact O-CG 3.41Å; E425-E429 PolarHBondContact O-N 2.94Å; C426-E429 PolarHBondContact O-N 2.9Å; E429-S433 VanDerWaalsContact O-CB 3.25Å; E429-S433 WeakPolarHBondContact O-CB 3.31Å; E429-S433 PolarHBondContact O-N 3.32Å; E429-S433 PolarHBondContact O-OG 3.17Å; E429-L466 HydrophobicContact CG-CD2 3.52Å; E429-Q469 HydrophobicContact CB-CG 4.4Å; E429-Q469 HydrophobicContact CG-CG 4.25Å; E429-Q469 PolarHBondContact OE1-NE2 2.69Å; E429-Q469 PolarHBondContact OE2-NE2 3Å; E429-Q469 VanDerWaalsContact OE2-NE2 3.07Å |
| 430 | Q | 94.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.1 | -62.8 | -39.6 | -66.1 | 0 | 0 | 111.3 | T340 F341 C426 V427 V428 M434 | T340-Q430 HydrophobicContact CG2-CB 3.59Å; T340-Q430 HydrophobicContact CG2-CG 4.47Å; F341-Q430 HydrophobicContact CB-CG 4.26Å; F341-Q430 HydrophobicContact CD2-CG 4.31Å; C426-Q430 WeakPolarHBondContact O-CG 3.33Å; C426-Q430 PolarHBondContact O-N 3.49Å; V427-Q430 PolarHBondContact O-N 2.89Å; V428-Q430 PolarHBondContact O-N 3.18Å; Q430-M434 PolarHBondContact O-N 3.32Å; Q430-M434 VanDerWaalsContact O-N 3.14Å |
| 431 | I | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -52.6 | 177.3 | -76.2 | 168.7 | 0 | 0 | 0 | 110.7 | L335 T340 Y397 L400 A401 V404 V427 V428 S433 M434 | L335-I431 HydrophobicContact CD2-CD1 4.23Å; T340-I431 HydrophobicContact CG2-CD1 4.08Å; T340-I431 HydrophobicContact CG2-CG1 3.58Å; Y397-I431 HydrophobicContact CE2-CG2 3.69Å; Y397-I431 WeakPolarHBondContact CE2-O 3.2Å; Y397-I431 PolarHBondContact OH-O 2.63Å; L400-I431 HydrophobicContact CD2-CD1 4.11Å; L400-I431 HydrophobicContact CG-CD1 4.35Å; A401-I431 HydrophobicContact CB-CG2 4.07Å; V404-I431 HydrophobicContact CB-CD1 4.33Å; V404-I431 HydrophobicContact CG1-CD1 3.83Å; V404-I431 HydrophobicContact CG2-CD1 3.78Å; V404-I431 HydrophobicContact CG2-CG2 4.29Å; V427-I431 HydrophobicContact CG1-CD1 3.95Å; V427-I431 WeakPolarHBondContact O-CG1 3.1Å; V427-I431 PolarHBondContact O-N 3.02Å; V428-I431 PolarHBondContact O-N 3.06Å; I431-S433 VanDerWaalsContact C-N 3.27Å; I431-S433 PolarHBondContact O-N 3.02Å; I431-M434 WeakPolarHBondContact O-CB 3.31Å; I431-M434 PolarHBondContact O-N 3.04Å; I431-M434 VanDerWaalsContact O-N 3.1Å |
| 432 | L | 94.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.5 | -37.3 | 179.9 | -70.1 | 175.5 | 0 | 0 | 0 | 112.4 | V428 W456 Q469 L470 L473 | V428-L432 HydrophobicContact CG1-CD1 3.68Å; V428-L432 HydrophobicContact CG1-CG 4.18Å; V428-L432 WeakPolarHBondContact O-CB 3.38Å; V428-L432 VanDerWaalsContact O-CG 3.31Å; V428-L432 WeakPolarHBondContact O-CG 3.34Å; V428-L432 PolarHBondContact O-N 3.16Å; L432-W456 HydrophobicContact CD2-CE3 4.22Å; L432-W456 HydrophobicContact CD2-CZ3 3.73Å; L432-Q469 HydrophobicContact CB-CB 4.3Å; L432-Q469 HydrophobicContact CD1-CB 4.44Å; L432-L470 HydrophobicContact CD1-CD2 3.76Å; L432-L470 HydrophobicContact CD1-CG 4.15Å; L432-L470 HydrophobicContact CD2-CD2 4.11Å; L432-L473 HydrophobicContact CD2-CD2 4.22Å |
| 433 | S | 92.6 | Very high | 90.9 | Very high | 51 Ų | 51 | 33.3 Ų | 33.3 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.9 | -33.9 | 177.6 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | E429 I431 A435 G436 | E429-S433 VanDerWaalsContact O-CB 3.25Å; E429-S433 WeakPolarHBondContact O-CB 3.31Å; E429-S433 PolarHBondContact O-N 3.32Å; E429-S433 PolarHBondContact O-OG 3.17Å; I431-S433 VanDerWaalsContact C-N 3.27Å; I431-S433 PolarHBondContact O-N 3.02Å; S433-A435 VanDerWaalsContact C-N 3.26Å; S433-A435 PolarHBondContact O-N 3.32Å; S433-G436 PolarHBondContact O-N 3.45Å |
| 434 | M | 92.6 | Very high | 91 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -28.5 | -179.6 | -171.6 | -179.1 | 63.8 | 0 | 0 | 113.3 | W343 R344 V347 Y397 Q430 I431 G436 S437 | W343-M434 HydrophobicContact CD2-CE 4.16Å; W343-M434 HydrophobicContact CD2-SD 3.8Å; W343-M434 HydrophobicContact CE3-CE 3.96Å; W343-M434 HydrophobicContact CE3-SD 4.02Å; W343-M434 HydrophobicContact CG-SD 4.23Å; W343-M434 HydrophobicContact CH2-CE 3.6Å; W343-M434 HydrophobicContact CZ2-CE 3.79Å; W343-M434 HydrophobicContact CZ2-SD 4.3Å; W343-M434 HydrophobicContact CZ3-CE 3.69Å; W343-M434 HydrophobicContact CZ3-SD 4.36Å; R344-M434 HydrophobicContact CB-CB 4.11Å; R344-M434 HydrophobicContact CB-CG 4.35Å; R344-M434 HydrophobicContact CG-CB 3.92Å; R344-M434 HydrophobicContact CG-CG 4.36Å; V347-M434 HydrophobicContact CB-CG 4.14Å; V347-M434 HydrophobicContact CB-SD 4.23Å; V347-M434 HydrophobicContact CG1-CG 4.02Å; V347-M434 HydrophobicContact CG1-SD 4.47Å; V347-M434 HydrophobicContact CG2-SD 3.96Å; Y397-M434 HydrophobicContact CD2-CE 3.75Å; Y397-M434 HydrophobicContact CE2-CE 3.89Å; Q430-M434 PolarHBondContact O-N 3.32Å; Q430-M434 VanDerWaalsContact O-N 3.14Å; I431-M434 WeakPolarHBondContact O-CB 3.31Å; I431-M434 PolarHBondContact O-N 3.04Å; I431-M434 VanDerWaalsContact O-N 3.1Å; M434-G436 PolarHBondContact O-N 2.99Å; M434-G436 VanDerWaalsContact O-N 3.07Å; M434-S437 PolarHBondContact O-N 3.02Å |
| 435 | A | 91 | Very high | 91 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -56.6 | -26.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y397 S433 S437 L438 L473 | Y397-A435 HydrophobicContact CE1-CB 3.9Å; S433-A435 VanDerWaalsContact C-N 3.26Å; S433-A435 PolarHBondContact O-N 3.32Å; A435-S437 PolarHBondContact O-N 3.1Å; A435-L438 PolarHBondContact O-N 3.06Å; A435-L473 HydrophobicContact CB-CD1 3.53Å; A435-L473 HydrophobicContact CB-CD2 4.02Å; A435-L473 HydrophobicContact CB-CG 4.43Å |
| 436 | G | 87.2 | Confident | 91.1 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -72.2 | 3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S433 M434 | S433-G436 PolarHBondContact O-N 3.45Å; M434-G436 PolarHBondContact O-N 2.99Å; M434-G436 VanDerWaalsContact O-N 3.07Å |
| 437 | S | 90.5 | Very high | 91.1 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 8% | 0.077 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -133 | 17.5 | 173.5 | -68.5 | 0 | 0 | 0 | 0 | 113 | H351 M434 A435 | H351-S437 PolarHBondContact CD2-OG 2.9Å; M434-S437 PolarHBondContact O-N 3.02Å; A435-S437 PolarHBondContact O-N 3.1Å |
| 438 | L | 90.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -94 | 154.8 | 169.6 | -61.8 | -179.3 | 0 | 0 | 0 | 110.8 | V347 P392 Y397 A435 L440 | V347-L438 HydrophobicContact CG1-CD2 4.06Å; P392-L438 HydrophobicContact CG-CD2 4.23Å; Y397-L438 HydrophobicContact CD1-CD1 3.93Å; Y397-L438 HydrophobicContact CD2-CD1 3.67Å; Y397-L438 HydrophobicContact CE1-CD1 4.48Å; Y397-L438 HydrophobicContact CE2-CD1 4.22Å; Y397-L438 HydrophobicContact CG-CD1 3.52Å; A435-L438 PolarHBondContact O-N 3.06Å; L438-L440 PolarHBondContact O-N 3.49Å; L438-L440 VanDerWaalsContact O-N 3.13Å |
| 439 | D | 86.5 | Confident | 91.1 | Very high | 110 Ų | 110 | 45.9 Ų | 45.9 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | trans | -73.6 | 100.7 | 170.6 | 176.1 | 20.5 | 0 | 0 | 0 | 110.7 | V394 S441 | V394-D439 WeakPolarHBondContact CG2-O 3.21Å; D439-S441 PolarHBondContact O-N 3.24Å; D439-S441 WeakPolarHBondContact OD1-CB 3.39Å; D439-S441 PolarHBondContact OD1-N 3.1Å; D439-S441 PolarHBondContact OD1-OG 3.37Å | ||
| 440 | L | 87.2 | Confident | 91.1 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 14.5 | 179.7 | -61.2 | 177.5 | 0 | 0 | 0 | 114.1 | V394 L438 D442 R446 L449 I476 L477 | V394-L440 HydrophobicContact CG1-CD2 4.07Å; V394-L440 HydrophobicContact CG2-CD2 4.11Å; L438-L440 PolarHBondContact O-N 3.49Å; L438-L440 VanDerWaalsContact O-N 3.13Å; L440-D442 PolarHBondContact O-N 3.18Å; L440-R446 WeakPolarHBondContact O-CD 3.14Å; L440-L449 HydrophobicContact CD2-CD2 4.42Å; L440-I476 HydrophobicContact CD1-CG2 3.77Å; L440-L477 HydrophobicContact CD1-CD2 4.09Å |
| 441 | S | 86.5 | Confident | 91.1 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 67% | 0.671 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.3 | 177.8 | -57 | 0 | 0 | 0 | 0 | 114.5 | D439 E443 | D439-S441 PolarHBondContact O-N 3.24Å; D439-S441 WeakPolarHBondContact OD1-CB 3.39Å; D439-S441 PolarHBondContact OD1-N 3.1Å; D439-S441 PolarHBondContact OD1-OG 3.37Å; S441-E443 PolarHBondContact O-N 2.75Å |
| 442 | D | 87.4 | Confident | 91 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | trans | -68.4 | 91.5 | 170.1 | 172.6 | 11 | 0 | 0 | 0 | 110.5 | V394 S395 L440 F444 G445 R446 | V394-D442 HydrophobicContact CB-CB 4.09Å; V394-D442 HydrophobicContact CG2-CB 4.03Å; S395-D442 PolarHBondContact N-OD2 3.09Å; S395-D442 PolarHBondContact OG-OD2 3.1Å; L440-D442 PolarHBondContact O-N 3.18Å; D442-F444 PolarHBondContact O-N 3.35Å; D442-F444 VanDerWaalsContact O-N 3.11Å; D442-F444 WeakPolarHBondContact OD1-CA 3.26Å; D442-F444 WeakPolarHBondContact OD1-CB 3.39Å; D442-F444 PolarHBondContact OD1-N 3.33Å; D442-G445 PolarHBondContact O-N 3.11Å; D442-G445 PolarHBondContact OD1-N 2.66Å; D442-G445 WeakPolarHBondContact OD2-CA 3.21Å; D442-G445 PolarHBondContact OD2-N 3.1Å; D442-R446 WeakPolarHBondContact O-CB 3.46Å; D442-R446 PolarHBondContact O-N 2.93Å | ||
| 443 | E | 87.5 | Confident | 91.1 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.2 | -15.9 | 179.1 | -178 | 54.9 | -160.2 | 0 | 0 | 113.8 | S441 R446 R447 | S441-E443 PolarHBondContact O-N 2.75Å; E443-R446 VanDerWaalsContact CD-NH2 3.31Å; E443-R446 IonicContact OE1-NH2 3.24Å; E443-R446 PolarHBondContact OE1-NH2 3.42Å; E443-R446 IonicContact OE2-CZ 2.89Å; E443-R446 IonicContact OE2-NE 3.94Å; E443-R446 PolarHBondContact OE2-NE 3.08Å; E443-R446 IonicContact OE2-NH2 3.99Å; E443-R446 PolarHBondContact OE2-NH2 3.08Å; E443-R447 WeakPolarHBondContact O-CG 3.27Å; E443-R447 PolarHBondContact O-NE 2.97Å; E443-R447 PolarHBondContact O-NH2 3.45Å; E443-R447 WeakPolarHBondContact OE1-CD 3.31Å; E443-R447 WeakPolarHBondContact OE1-CG 3.45Å; E443-R447 IonicContact OE1-CZ 2.68Å; E443-R447 IonicContact OE1-NE 3.92Å; E443-R447 PolarHBondContact OE1-NE 2.9Å |
| 444 | F | 91.3 | Very high | 91.2 | Very high | 124 Ų | 124 | 49 Ų | 49 | 54% | 0.544 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -80.9 | -54.7 | 170.9 | -179.8 | -105.6 | 0 | 0 | 0 | 110.5 | D442 R446 R447 R448 | D442-F444 PolarHBondContact O-N 3.35Å; D442-F444 VanDerWaalsContact O-N 3.11Å; D442-F444 WeakPolarHBondContact OD1-CA 3.26Å; D442-F444 WeakPolarHBondContact OD1-CB 3.39Å; D442-F444 PolarHBondContact OD1-N 3.33Å; F444-R446 VanDerWaalsContact C-N 3.35Å; F444-R446 PolarHBondContact O-N 2.84Å; F444-R447 PolarHBondContact O-N 3.06Å; F444-R448 HydrophobicContact CE1-CG 4.47Å; F444-R448 HydrophobicContact CZ-CG 4.47Å; F444-R448 WeakPolarHBondContact O-CG 3.32Å; F444-R448 PolarHBondContact O-N 2.84Å; F444-R448 VanDerWaalsContact O-N 3.1Å |
| 445 | G | 91.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S395 D442 R447 R448 L449 | S395-G445 WeakPolarHBondContact OG-CA 3.45Å; S395-G445 PolarHBondContact OG-N 3Å; D442-G445 PolarHBondContact O-N 3.11Å; D442-G445 PolarHBondContact OD1-N 2.66Å; D442-G445 WeakPolarHBondContact OD2-CA 3.21Å; D442-G445 PolarHBondContact OD2-N 3.1Å; G445-R447 PolarHBondContact O-N 2.7Å; G445-R448 PolarHBondContact O-N 2.7Å; G445-L449 PolarHBondContact O-N 3.02Å |
| 446 | R | 92.3 | Very high | 91.4 | Very high | 72 Ų | 72 | 53 Ų | 53 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 178.5 | -167 | -173.1 | 73.1 | 84.8 | 5.1 | 112.1 | L440 D442 E443 F444 L449 V450 L477 | L440-R446 WeakPolarHBondContact O-CD 3.14Å; D442-R446 WeakPolarHBondContact O-CB 3.46Å; D442-R446 PolarHBondContact O-N 2.93Å; E443-R446 VanDerWaalsContact CD-NH2 3.31Å; E443-R446 IonicContact OE1-NH2 3.24Å; E443-R446 PolarHBondContact OE1-NH2 3.42Å; E443-R446 IonicContact OE2-CZ 2.89Å; E443-R446 IonicContact OE2-NE 3.94Å; E443-R446 PolarHBondContact OE2-NE 3.08Å; E443-R446 IonicContact OE2-NH2 3.99Å; E443-R446 PolarHBondContact OE2-NH2 3.08Å; F444-R446 VanDerWaalsContact C-N 3.35Å; F444-R446 PolarHBondContact O-N 2.84Å; R446-L449 PolarHBondContact O-N 3.02Å; R446-V450 WeakPolarHBondContact O-CG2 3.5Å; R446-V450 PolarHBondContact O-N 3.28Å; R446-L477 HydrophobicContact CG-CD2 3.78Å |
| 447 | R | 92.7 | Very high | 91.7 | Very high | 141 Ų | 141 | 51.7 Ų | 51.7 | 53% | 0.532 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.9 | -36.6 | 177.2 | -77.3 | -179.4 | -67 | 172.5 | -1.5 | 112.7 | E443 F444 G445 L449 V450 S451 | E443-R447 WeakPolarHBondContact O-CG 3.27Å; E443-R447 PolarHBondContact O-NE 2.97Å; E443-R447 PolarHBondContact O-NH2 3.45Å; E443-R447 WeakPolarHBondContact OE1-CD 3.31Å; E443-R447 WeakPolarHBondContact OE1-CG 3.45Å; E443-R447 IonicContact OE1-CZ 2.68Å; E443-R447 IonicContact OE1-NE 3.92Å; E443-R447 PolarHBondContact OE1-NE 2.9Å; F444-R447 PolarHBondContact O-N 3.06Å; G445-R447 PolarHBondContact O-N 2.7Å; R447-L449 VanDerWaalsContact C-N 3.33Å; R447-V450 PolarHBondContact O-N 2.96Å; R447-S451 PolarHBondContact O-N 3.46Å; R447-S451 VanDerWaalsContact O-N 3.17Å |
| 448 | R | 94.8 | Very high | 91.8 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 171 | -66.1 | -177.5 | 68.5 | -152.3 | -1.3 | 111.4 | S395 V398 D399 F444 G445 S451 L452 | S395-R448 PolarHBondContact O-NH1 3.47Å; V398-R448 HydrophobicContact CG1-CB 3.81Å; V398-R448 VanDerWaalsContact CG1-CZ 3.49Å; V398-R448 HydrophobicContact CG2-CB 4.44Å; D399-R448 VanDerWaalsContact CG-NH1 3.33Å; D399-R448 IonicContact OD1-CZ 3.52Å; D399-R448 IonicContact OD1-NH1 3.55Å; D399-R448 PolarHBondContact OD1-NH1 2.59Å; D399-R448 VanDerWaalsContact OD1-NH1 3.13Å; D399-R448 IonicContact OD1-NH2 3.91Å; D399-R448 PolarHBondContact OD1-NH2 3.07Å; D399-R448 IonicContact OD2-CZ 2.72Å; D399-R448 IonicContact OD2-NH1 3.29Å; D399-R448 PolarHBondContact OD2-NH1 3.2Å; D399-R448 IonicContact OD2-NH2 2.99Å; F444-R448 HydrophobicContact CE1-CG 4.47Å; F444-R448 HydrophobicContact CZ-CG 4.47Å; F444-R448 WeakPolarHBondContact O-CG 3.32Å; F444-R448 PolarHBondContact O-N 2.84Å; F444-R448 VanDerWaalsContact O-N 3.1Å; G445-R448 PolarHBondContact O-N 2.7Å; R448-S451 PolarHBondContact O-N 3.42Å; R448-L452 WeakPolarHBondContact O-CG 3.38Å; R448-L452 PolarHBondContact O-N 3.47Å |
| 449 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 178.9 | -169.3 | 56.7 | 0 | 0 | 0 | 112.2 | Y397 V398 L440 G445 R446 R447 S451 L452 V453 L473 L477 | Y397-L449 HydrophobicContact CD1-CD2 4.49Å; Y397-L449 HydrophobicContact CE1-CD1 3.97Å; Y397-L449 HydrophobicContact CE1-CD2 4.04Å; V398-L449 HydrophobicContact CG2-CB 3.69Å; V398-L449 HydrophobicContact CG2-CD1 4.03Å; V398-L449 HydrophobicContact CG2-CG 4.32Å; L440-L449 HydrophobicContact CD2-CD2 4.42Å; G445-L449 PolarHBondContact O-N 3.02Å; R446-L449 PolarHBondContact O-N 3.02Å; R447-L449 VanDerWaalsContact C-N 3.33Å; L449-S451 PolarHBondContact O-N 3.43Å; L449-L452 PolarHBondContact O-N 2.97Å; L449-V453 HydrophobicContact CD1-CG2 4.22Å; L449-V453 HydrophobicContact CG-CG2 4.38Å; L449-V453 WeakPolarHBondContact O-CB 3.48Å; L449-V453 VanDerWaalsContact O-CG2 3.28Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 2.9Å; L449-L473 HydrophobicContact CD1-CD2 4.28Å; L449-L473 HydrophobicContact CD2-CD1 4.26Å; L449-L473 HydrophobicContact CD2-CD2 4.38Å; L449-L473 HydrophobicContact CG-CD2 4.45Å; L449-L477 HydrophobicContact CD2-CD1 4.32Å; L449-L477 HydrophobicContact CD2-CD2 4.37Å; L449-L477 HydrophobicContact CG-CD1 4.06Å |
| 450 | V | 93.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 172.5 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | R446 R447 V453 H454 L477 | R446-V450 WeakPolarHBondContact O-CG2 3.5Å; R446-V450 PolarHBondContact O-N 3.28Å; R447-V450 PolarHBondContact O-N 2.96Å; V450-V453 PolarHBondContact O-N 2.99Å; V450-H454 PolarHBondContact O-N 3.37Å; V450-H454 VanDerWaalsContact O-N 3.09Å; V450-L477 HydrophobicContact CG2-CB 3.89Å; V450-L477 HydrophobicContact CG2-CD1 4.01Å; V450-L477 HydrophobicContact CG2-CD2 4.21Å; V450-L477 HydrophobicContact CG2-CG 4.26Å |
| 451 | S | 94.3 | Very high | 91.8 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 177 | -165.5 | 0 | 0 | 0 | 0 | 111.6 | R447 R448 L449 V453 H454 D455 | R447-S451 PolarHBondContact O-N 3.46Å; R447-S451 VanDerWaalsContact O-N 3.17Å; R448-S451 PolarHBondContact O-N 3.42Å; L449-S451 PolarHBondContact O-N 3.43Å; S451-V453 PolarHBondContact O-N 3.2Å; S451-H454 VanDerWaalsContact O-CB 3.31Å; S451-H454 WeakPolarHBondContact O-CB 3.47Å; S451-H454 PolarHBondContact O-N 2.88Å; S451-D455 PolarHBondContact O-N 3.44Å |
| 452 | L | 94.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | -178.3 | -69 | 178.1 | 0 | 0 | 0 | 113.1 | V398 K402 R448 L449 H454 D455 W456 | V398-L452 HydrophobicContact CG1-CD1 3.78Å; K402-L452 HydrophobicContact CB-CD1 4.07Å; K402-L452 HydrophobicContact CD-CD2 4.03Å; R448-L452 WeakPolarHBondContact O-CG 3.38Å; R448-L452 PolarHBondContact O-N 3.47Å; L449-L452 PolarHBondContact O-N 2.97Å; L452-H454 VanDerWaalsContact C-N 3.26Å; L452-H454 PolarHBondContact O-N 2.9Å; L452-D455 PolarHBondContact O-N 2.73Å; L452-W456 HydrophobicContact CB-CD2 4.27Å; L452-W456 HydrophobicContact CB-CE3 4.31Å; L452-W456 HydrophobicContact CB-CH2 3.7Å; L452-W456 HydrophobicContact CB-CZ2 3.63Å; L452-W456 HydrophobicContact CB-CZ3 4.05Å; L452-W456 HydrophobicContact CD1-CH2 4Å; L452-W456 HydrophobicContact CD1-CZ2 3.83Å; L452-W456 HydrophobicContact CD2-CZ2 4.38Å; L452-W456 HydrophobicContact CG-CH2 4.47Å; L452-W456 HydrophobicContact CG-CZ2 4.17Å; L452-W456 WeakPolarHBondContact O-CB 3.21Å; L452-W456 PolarHBondContact O-N 3.25Å |
| 453 | V | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L449 V450 S451 W456 I457 L473 H474 L477 | L449-V453 HydrophobicContact CD1-CG2 4.22Å; L449-V453 HydrophobicContact CG-CG2 4.38Å; L449-V453 WeakPolarHBondContact O-CB 3.48Å; L449-V453 VanDerWaalsContact O-CG2 3.28Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 2.9Å; V450-V453 PolarHBondContact O-N 2.99Å; S451-V453 PolarHBondContact O-N 3.2Å; V453-W456 HydrophobicContact CG2-CE3 4.2Å; V453-W456 HydrophobicContact CG2-CZ3 4.11Å; V453-I457 HydrophobicContact CG1-CD1 3.83Å; V453-I457 WeakPolarHBondContact O-CB 3.3Å; V453-I457 WeakPolarHBondContact O-CD1 3.35Å; V453-I457 WeakPolarHBondContact O-CG1 3.43Å; V453-I457 PolarHBondContact O-N 2.68Å; V453-I457 VanDerWaalsContact O-N 3.11Å; V453-L473 HydrophobicContact CG2-CD2 3.71Å; V453-L473 HydrophobicContact CG2-CG 4.01Å; V453-H474 HydrophobicContact CG1-CB 3.94Å; V453-L477 HydrophobicContact CG2-CD1 4.34Å |
| 454 | H | 94.7 | Very high | 91.3 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -55.6 | 170.4 | -172.4 | -86.4 | 0 | 0 | 0 | 111.2 | V450 S451 L452 W456 I457 T458 M491 E494 | V450-H454 PolarHBondContact O-N 3.37Å; V450-H454 VanDerWaalsContact O-N 3.09Å; S451-H454 VanDerWaalsContact O-CB 3.31Å; S451-H454 WeakPolarHBondContact O-CB 3.47Å; S451-H454 PolarHBondContact O-N 2.88Å; L452-H454 VanDerWaalsContact C-N 3.26Å; L452-H454 PolarHBondContact O-N 2.9Å; H454-W456 VanDerWaalsContact C-N 3.29Å; H454-W456 PolarHBondContact O-N 2.94Å; H454-I457 PolarHBondContact O-N 3.5Å; H454-T458 PolarHBondContact O-N 2.87Å; H454-T458 PolarHBondContact O-OG1 3.34Å; H454-M491 HydrophobicContact CB-SD 4.22Å; H454-M491 WeakPolarHBondContact CD2-CG 3.24Å; H454-M491 PolarHBondContact CD2-SD 3.36Å; H454-E494 IonicContact CE1-OE1 3.29Å; H454-E494 IonicContact CE1-OE2 3.76Å; H454-E494 PolarHBondContact CE1-OE2 3.32Å; H454-E494 VanDerWaalsContact CE1-OE2 3.24Å; H454-E494 IonicContact NE2-OE2 3.86Å |
| 455 | D | 93.7 | Very high | 90.9 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.9 | -37.5 | -178.9 | -57.3 | -26.5 | 0 | 0 | 0 | 112.9 | S451 L452 S459 | S451-D455 PolarHBondContact O-N 3.44Å; L452-D455 PolarHBondContact O-N 2.73Å; D455-S459 WeakPolarHBondContact O-CB 3.38Å; D455-S459 PolarHBondContact O-N 3Å |
| 456 | W | 94.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.9 | -30.9 | 176.8 | -59.9 | -31.2 | 0 | 0 | 0 | 113.2 | A401 K402 V405 L432 L452 V453 H454 V462 L470 K668 | A401-W456 HydrophobicContact CB-CH2 3.82Å; K402-W456 HydrophobicContact CB-CZ2 4.22Å; V405-W456 HydrophobicContact CB-CZ2 4.36Å; V405-W456 HydrophobicContact CG1-CD2 4.27Å; V405-W456 HydrophobicContact CG1-CG 4.01Å; V405-W456 HydrophobicContact CG2-CD2 4.25Å; V405-W456 HydrophobicContact CG2-CZ2 4.2Å; L432-W456 HydrophobicContact CD2-CE3 4.22Å; L432-W456 HydrophobicContact CD2-CZ3 3.73Å; L452-W456 HydrophobicContact CB-CD2 4.27Å; L452-W456 HydrophobicContact CB-CE3 4.31Å; L452-W456 HydrophobicContact CB-CH2 3.7Å; L452-W456 HydrophobicContact CB-CZ2 3.63Å; L452-W456 HydrophobicContact CB-CZ3 4.05Å; L452-W456 HydrophobicContact CD1-CH2 4Å; L452-W456 HydrophobicContact CD1-CZ2 3.83Å; L452-W456 HydrophobicContact CD2-CZ2 4.38Å; L452-W456 HydrophobicContact CG-CH2 4.47Å; L452-W456 HydrophobicContact CG-CZ2 4.17Å; L452-W456 WeakPolarHBondContact O-CB 3.21Å; L452-W456 PolarHBondContact O-N 3.25Å; V453-W456 HydrophobicContact CG2-CE3 4.2Å; V453-W456 HydrophobicContact CG2-CZ3 4.11Å; H454-W456 VanDerWaalsContact C-N 3.29Å; H454-W456 PolarHBondContact O-N 2.94Å; W456-V462 HydrophobicContact CB-CG1 4.46Å; W456-V462 HydrophobicContact CB-CG2 4.33Å; W456-V462 WeakPolarHBondContact O-CB 3.29Å; W456-V462 WeakPolarHBondContact O-CG1 3.19Å; W456-L470 HydrophobicContact CB-CD1 4.19Å; W456-L470 HydrophobicContact CB-CD2 4.18Å; W456-L470 HydrophobicContact CE3-CD2 3.71Å; W456-K668 PolarHBondContact O-NZ 3.39Å; W456-K668 VanDerWaalsContact O-NZ 3.09Å |
| 457 | I | 93.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.6 | -47.3 | 174.8 | -74.5 | 172.5 | 0 | 0 | 0 | 110.1 | V453 H454 L470 L471 M491 K668 M672 | V453-I457 HydrophobicContact CG1-CD1 3.83Å; V453-I457 WeakPolarHBondContact O-CB 3.3Å; V453-I457 WeakPolarHBondContact O-CD1 3.35Å; V453-I457 WeakPolarHBondContact O-CG1 3.43Å; V453-I457 PolarHBondContact O-N 2.68Å; V453-I457 VanDerWaalsContact O-N 3.11Å; H454-I457 PolarHBondContact O-N 3.5Å; I457-L470 HydrophobicContact CD1-CB 4.02Å; I457-L470 HydrophobicContact CG1-CB 3.78Å; I457-L470 HydrophobicContact CG1-CD1 4.06Å; I457-L470 HydrophobicContact CG1-CG 4.45Å; I457-L471 HydrophobicContact CD1-CD2 4.09Å; I457-M491 HydrophobicContact CB-SD 3.93Å; I457-M491 HydrophobicContact CD1-CE 4.02Å; I457-M491 HydrophobicContact CD1-SD 3.95Å; I457-M491 HydrophobicContact CG2-CB 3.88Å; I457-M491 HydrophobicContact CG2-CE 4.39Å; I457-M491 HydrophobicContact CG2-CG 4.32Å; I457-M491 HydrophobicContact CG2-SD 3.76Å; I457-K668 WeakPolarHBondContact O-CE 3.5Å; I457-K668 PolarHBondContact O-NZ 3.3Å; I457-M672 HydrophobicContact CG2-CE 3.19Å; I457-M672 HydrophobicContact CG2-SD 3.84Å |
| 458 | T | 93.5 | Very high | 90.6 | Very high | 25 Ų | 25 | 36 Ų | 36 | 15% | 0.153 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -77.4 | -21.2 | -178.3 | 61 | 0 | 0 | 0 | 0 | 113.5 | H454 Q460 M491 E494 L495 | H454-T458 PolarHBondContact O-N 2.87Å; H454-T458 PolarHBondContact O-OG1 3.34Å; T458-Q460 PolarHBondContact O-N 3Å; T458-M491 HydrophobicContact CG2-CB 3.89Å; T458-M491 HydrophobicContact CG2-CG 3.84Å; T458-E494 HydrophobicContact CG2-CB 3.89Å; T458-L495 VanDerWaalsContact O-CD1 3.26Å; T458-L495 WeakPolarHBondContact O-CD1 3.28Å |
| 459 | S | 90.3 | Very high | 90.4 | Very high | 33 Ų | 33 | 33.5 Ų | 33.5 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | trans | -62.4 | 123.9 | 173.6 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | D455 Q461 V462 K668 | D455-S459 WeakPolarHBondContact O-CB 3.38Å; D455-S459 PolarHBondContact O-N 3Å; S459-Q461 PolarHBondContact O-N 3.4Å; S459-Q461 PolarHBondContact OG-N 3.21Å; S459-V462 PolarHBondContact O-N 3.41Å; S459-K668 PolarHBondContact O-NZ 3.38Å | ||
| 460 | Q | 88 | Confident | 90.4 | Very high | 91 Ų | 91 | 33.5 Ų | 33.5 | 43% | 0.425 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.6 | 172.7 | -60.2 | -174.1 | -16.4 | 0 | 0 | 113.4 | T458 L495 V665 | T458-Q460 PolarHBondContact O-N 3Å; Q460-L495 HydrophobicContact CG-CD1 3.92Å; Q460-L495 PolarHBondContact NE2-O 2.82Å; Q460-V665 HydrophobicContact CB-CG2 3.93Å; Q460-V665 HydrophobicContact CG-CG2 3.68Å |
| 461 | Q | 85.7 | Confident | 90.4 | Very high | 112 Ų | 112 | 30.9 Ų | 30.9 | 52% | 0.523 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -22.1 | -180 | -61.1 | 177 | -11.9 | 0 | 0 | 112.9 | V409 S459 | V409-Q461 HydrophobicContact CG1-CB 3.87Å; S459-Q461 PolarHBondContact O-N 3.4Å; S459-Q461 PolarHBondContact OG-N 3.21Å |
| 462 | V | 86.4 | Confident | 90.2 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -83.7 | 120.8 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | V405 V409 W456 S459 L466 L470 K668 | V405-V462 HydrophobicContact CG1-CG2 4.08Å; V409-V462 HydrophobicContact CG2-CG2 3.84Å; W456-V462 HydrophobicContact CB-CG1 4.46Å; W456-V462 HydrophobicContact CB-CG2 4.33Å; W456-V462 WeakPolarHBondContact O-CB 3.29Å; W456-V462 WeakPolarHBondContact O-CG1 3.19Å; S459-V462 PolarHBondContact O-N 3.41Å; V462-L466 HydrophobicContact CG1-CD1 4.07Å; V462-L470 HydrophobicContact CG1-CD1 4.22Å; V462-K668 PolarHBondContact O-NZ 2.8Å |
| 463 | S | 82.4 | Confident | 90.1 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 35% | 0.35 | 18% | 0.175 | S | C | . | . | trans | -54.3 | 145.1 | -173.8 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | T465 L466 | S463-T465 VanDerWaalsContact CB-OG1 3.25Å; S463-T465 WeakPolarHBondContact CB-OG1 3.31Å; S463-T465 PolarHBondContact O-N 3.34Å; S463-T465 PolarHBondContact OG-N 3.27Å; S463-T465 PolarHBondContact OG-OG1 3.48Å; S463-L466 PolarHBondContact O-N 3.32Å | ||
| 464 | G | 81.1 | Confident | 90 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -68.7 | -9.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | A467 K671 | G464-A467 WeakPolarHBondContact O-CB 3.3Å; G464-K671 WeakPolarHBondContact O-CD 3.22Å; G464-K671 WeakPolarHBondContact O-CE 3.36Å; G464-K671 PolarHBondContact O-NZ 3.41Å |
| 465 | T | 83.3 | Confident | 89.9 | Confident | 53 Ų | 53 | 32.2 Ų | 32.2 | 33% | 0.325 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -51.4 | 170.9 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | E425 S463 A467 P468 K671 | E425-T465 WeakPolarHBondContact OE1-CB 3.27Å; E425-T465 PolarHBondContact OE1-OG1 3.05Å; E425-T465 PolarHBondContact OE2-OG1 2.9Å; S463-T465 VanDerWaalsContact CB-OG1 3.25Å; S463-T465 WeakPolarHBondContact CB-OG1 3.31Å; S463-T465 PolarHBondContact O-N 3.34Å; S463-T465 PolarHBondContact OG-N 3.27Å; S463-T465 PolarHBondContact OG-OG1 3.48Å; T465-A467 PolarHBondContact O-N 2.67Å; T465-P468 WeakPolarHBondContact O-CD 3.4Å; T465-K671 PolarHBondContact O-NZ 2.98Å; T465-K671 VanDerWaalsContact O-NZ 3.08Å |
| 466 | L | 89.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.6 | -178.1 | -63.9 | 177.5 | 0 | 0 | 0 | 116 | L408 E425 V428 E429 V462 S463 Q469 L470 | L408-L466 HydrophobicContact CD2-CD1 3.88Å; E425-L466 HydrophobicContact CG-CD2 3.85Å; E425-L466 HydrophobicContact CG-CG 4.28Å; V428-L466 HydrophobicContact CG1-CD1 3.77Å; V428-L466 HydrophobicContact CG1-CD2 4.01Å; E429-L466 HydrophobicContact CG-CD2 3.52Å; V462-L466 HydrophobicContact CG1-CD1 4.07Å; S463-L466 PolarHBondContact O-N 3.32Å; L466-Q469 PolarHBondContact O-N 3.24Å; L466-Q469 VanDerWaalsContact O-N 3.14Å; L466-Q469 PolarHBondContact O-OE1 3.39Å; L466-L470 HydrophobicContact CB-CD1 4.2Å; L466-L470 PolarHBondContact O-N 3.14Å |
| 467 | A | 91.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.6 | -38.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G464 T465 L471 M672 L675 | G464-A467 WeakPolarHBondContact O-CB 3.3Å; T465-A467 PolarHBondContact O-N 2.67Å; A467-L471 VanDerWaalsContact O-CB 3.29Å; A467-L471 WeakPolarHBondContact O-CB 3.32Å; A467-L471 WeakPolarHBondContact O-CG 3.46Å; A467-L471 PolarHBondContact O-N 2.71Å; A467-M672 HydrophobicContact CB-CG 4.25Å; A467-L675 HydrophobicContact CB-CD1 4.12Å |
| 468 | P | 90.2 | Very high | 89.4 | Confident | 23 Ų | 23 | 35 Ų | 35 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.4 | -18.7 | 31 | 0 | 0 | 0 | 113.2 | T465 K472 L675 | T465-P468 WeakPolarHBondContact O-CD 3.4Å; P468-K472 VanDerWaalsContact O-CB 3.32Å; P468-K472 WeakPolarHBondContact O-CB 3.18Å; P468-K472 WeakPolarHBondContact O-CD 3.45Å; P468-K472 WeakPolarHBondContact O-CG 3.45Å; P468-K472 PolarHBondContact O-N 3.07Å; P468-L675 HydrophobicContact CB-CD1 4.24Å; P468-L675 HydrophobicContact CB-CD2 4.21Å; P468-L675 HydrophobicContact CG-CD1 3.88Å; P468-L675 HydrophobicContact CG-CD2 4.29Å |
| 469 | Q | 91.2 | Very high | 89.1 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.8 | -46.4 | -179.4 | -71 | 76.3 | -7.6 | 0 | 0 | 110 | E429 L432 L466 K472 L473 | E429-Q469 HydrophobicContact CB-CG 4.4Å; E429-Q469 HydrophobicContact CG-CG 4.25Å; E429-Q469 PolarHBondContact OE1-NE2 2.69Å; E429-Q469 PolarHBondContact OE2-NE2 3Å; E429-Q469 VanDerWaalsContact OE2-NE2 3.07Å; L432-Q469 HydrophobicContact CB-CB 4.3Å; L432-Q469 HydrophobicContact CD1-CB 4.44Å; L466-Q469 PolarHBondContact O-N 3.24Å; L466-Q469 VanDerWaalsContact O-N 3.14Å; L466-Q469 PolarHBondContact O-OE1 3.39Å; Q469-K472 PolarHBondContact O-N 3.18Å; Q469-L473 WeakPolarHBondContact O-CB 3.47Å; Q469-L473 PolarHBondContact O-N 3.21Å |
| 470 | L | 93.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 176.3 | -68.5 | 170.9 | 0 | 0 | 0 | 112.1 | L432 W456 I457 V462 L466 L473 H474 | L432-L470 HydrophobicContact CD1-CD2 3.76Å; L432-L470 HydrophobicContact CD1-CG 4.15Å; L432-L470 HydrophobicContact CD2-CD2 4.11Å; W456-L470 HydrophobicContact CB-CD1 4.19Å; W456-L470 HydrophobicContact CB-CD2 4.18Å; W456-L470 HydrophobicContact CE3-CD2 3.71Å; I457-L470 HydrophobicContact CD1-CB 4.02Å; I457-L470 HydrophobicContact CG1-CB 3.78Å; I457-L470 HydrophobicContact CG1-CD1 4.06Å; I457-L470 HydrophobicContact CG1-CG 4.45Å; V462-L470 HydrophobicContact CG1-CD1 4.22Å; L466-L470 HydrophobicContact CB-CD1 4.2Å; L466-L470 PolarHBondContact O-N 3.14Å; L470-L473 PolarHBondContact O-N 2.73Å; L470-H474 WeakPolarHBondContact O-CB 3.42Å; L470-H474 PolarHBondContact O-N 3.12Å |
| 471 | L | 92.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.1 | -36.6 | 177.1 | -73.3 | 175.6 | 0 | 0 | 0 | 113 | I457 A467 L473 H474 A475 V488 M672 L675 Q679 | I457-L471 HydrophobicContact CD1-CD2 4.09Å; A467-L471 VanDerWaalsContact O-CB 3.29Å; A467-L471 WeakPolarHBondContact O-CB 3.32Å; A467-L471 WeakPolarHBondContact O-CG 3.46Å; A467-L471 PolarHBondContact O-N 2.71Å; L471-L473 VanDerWaalsContact C-N 3.32Å; L471-L473 PolarHBondContact O-N 3.26Å; L471-H474 PolarHBondContact O-N 2.96Å; L471-A475 VanDerWaalsContact O-CB 3.3Å; L471-A475 WeakPolarHBondContact O-CB 3.43Å; L471-A475 PolarHBondContact O-N 3.09Å; L471-V488 HydrophobicContact CD2-CG1 4.09Å; L471-V488 HydrophobicContact CD2-CG2 3.59Å; L471-M672 HydrophobicContact CD1-CB 4.19Å; L471-M672 HydrophobicContact CD1-CG 4.07Å; L471-L675 HydrophobicContact CD1-CB 3.62Å; L471-L675 HydrophobicContact CD1-CD1 3.99Å; L471-L675 HydrophobicContact CD1-CG 4.48Å; L471-Q679 PolarHBondContact O-OE1 2.89Å |
| 472 | K | 91 | Very high | 89.3 | Confident | 123 Ų | 123 | 42.1 Ų | 42.1 | 54% | 0.535 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 171 | -77.3 | 165.1 | -173.9 | 172.8 | 0 | 111.3 | P468 Q469 A475 I476 | P468-K472 VanDerWaalsContact O-CB 3.32Å; P468-K472 WeakPolarHBondContact O-CB 3.18Å; P468-K472 WeakPolarHBondContact O-CD 3.45Å; P468-K472 WeakPolarHBondContact O-CG 3.45Å; P468-K472 PolarHBondContact O-N 3.07Å; Q469-K472 PolarHBondContact O-N 3.18Å; K472-A475 WeakPolarHBondContact O-CB 3.36Å; K472-A475 PolarHBondContact O-N 3.23Å; K472-I476 WeakPolarHBondContact O-CG1 3.41Å; K472-I476 PolarHBondContact O-N 3.46Å |
| 473 | L | 92 | Very high | 89.6 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.7 | -44.9 | 177.1 | -179.8 | 51 | 0 | 0 | 0 | 111.7 | L432 A435 L449 V453 Q469 L470 L471 A475 I476 L477 | L432-L473 HydrophobicContact CD2-CD2 4.22Å; A435-L473 HydrophobicContact CB-CD1 3.53Å; A435-L473 HydrophobicContact CB-CD2 4.02Å; A435-L473 HydrophobicContact CB-CG 4.43Å; L449-L473 HydrophobicContact CD1-CD2 4.28Å; L449-L473 HydrophobicContact CD2-CD1 4.26Å; L449-L473 HydrophobicContact CD2-CD2 4.38Å; L449-L473 HydrophobicContact CG-CD2 4.45Å; V453-L473 HydrophobicContact CG2-CD2 3.71Å; V453-L473 HydrophobicContact CG2-CG 4.01Å; Q469-L473 WeakPolarHBondContact O-CB 3.47Å; Q469-L473 PolarHBondContact O-N 3.21Å; L470-L473 PolarHBondContact O-N 2.73Å; L471-L473 VanDerWaalsContact C-N 3.32Å; L471-L473 PolarHBondContact O-N 3.26Å; L473-A475 PolarHBondContact O-N 2.97Å; L473-I476 PolarHBondContact O-N 2.95Å; L473-I476 VanDerWaalsContact O-N 3.11Å; L473-L477 HydrophobicContact CD1-CD1 4.05Å; L473-L477 HydrophobicContact CD1-CG 4.25Å; L473-L477 HydrophobicContact CG-CD1 3.99Å; L473-L477 WeakPolarHBondContact O-CG 3.45Å; L473-L477 PolarHBondContact O-N 3.5Å |
| 474 | H | 93 | Very high | 90.1 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -38.7 | 171.8 | 179 | 86.2 | 0 | 0 | 0 | 111.7 | V453 L470 L471 I476 L477 E478 S487 | V453-H474 HydrophobicContact CG1-CB 3.94Å; L470-H474 WeakPolarHBondContact O-CB 3.42Å; L470-H474 PolarHBondContact O-N 3.12Å; L471-H474 PolarHBondContact O-N 2.96Å; H474-I476 VanDerWaalsContact C-N 3.32Å; H474-I476 PolarHBondContact O-N 3.36Å; H474-L477 PolarHBondContact O-N 3.46Å; H474-E478 PolarHBondContact O-N 3.08Å; H474-S487 PolarHBondContact CE1-OG 3.47Å |
| 475 | A | 91.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -29.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L471 K472 L473 R484 | L471-A475 VanDerWaalsContact O-CB 3.3Å; L471-A475 WeakPolarHBondContact O-CB 3.43Å; L471-A475 PolarHBondContact O-N 3.09Å; K472-A475 WeakPolarHBondContact O-CB 3.36Å; K472-A475 PolarHBondContact O-N 3.23Å; L473-A475 PolarHBondContact O-N 2.97Å; A475-R484 PolarHBondContact O-NH2 2.93Å |
| 476 | I | 89.6 | Confident | 91 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 45% | 0.446 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -75.6 | -36 | 172.3 | -65.9 | 169 | 0 | 0 | 0 | 110.6 | L440 K472 L473 H474 | L440-I476 HydrophobicContact CD1-CG2 3.77Å; K472-I476 WeakPolarHBondContact O-CG1 3.41Å; K472-I476 PolarHBondContact O-N 3.46Å; L473-I476 PolarHBondContact O-N 2.95Å; L473-I476 VanDerWaalsContact O-N 3.11Å; H474-I476 VanDerWaalsContact C-N 3.32Å; H474-I476 PolarHBondContact O-N 3.36Å |
| 477 | L | 91 | Very high | 91.1 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -77.9 | -34 | -177.8 | -67.1 | 166.2 | 0 | 0 | 0 | 114 | L440 R446 L449 V450 V453 L473 H474 | L440-L477 HydrophobicContact CD1-CD2 4.09Å; R446-L477 HydrophobicContact CG-CD2 3.78Å; L449-L477 HydrophobicContact CD2-CD1 4.32Å; L449-L477 HydrophobicContact CD2-CD2 4.37Å; L449-L477 HydrophobicContact CG-CD1 4.06Å; V450-L477 HydrophobicContact CG2-CB 3.89Å; V450-L477 HydrophobicContact CG2-CD1 4.01Å; V450-L477 HydrophobicContact CG2-CD2 4.21Å; V450-L477 HydrophobicContact CG2-CG 4.26Å; V453-L477 HydrophobicContact CG2-CD1 4.34Å; L473-L477 HydrophobicContact CD1-CD1 4.05Å; L473-L477 HydrophobicContact CD1-CG 4.25Å; L473-L477 HydrophobicContact CG-CD1 3.99Å; L473-L477 WeakPolarHBondContact O-CG 3.45Å; L473-L477 PolarHBondContact O-N 3.5Å; H474-L477 PolarHBondContact O-N 3.46Å |
| 478 | E | 91.7 | Very high | 91.3 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | trans | -118.3 | 94.2 | 170 | -178.4 | 49.4 | -82.5 | 0 | 0 | 110.2 | H474 N480 R483 R484 | H474-E478 PolarHBondContact O-N 3.08Å; E478-N480 VanDerWaalsContact C-N 3.28Å; E478-N480 PolarHBondContact O-N 2.99Å; E478-N480 WeakPolarHBondContact OE1-CB 3.48Å; E478-N480 PolarHBondContact OE1-N 3.4Å; E478-R483 HydrophobicContact CG-CB 3.86Å; E478-R483 WeakPolarHBondContact OE2-CD 3.39Å; E478-R483 IonicContact OE2-NH1 2.84Å; E478-R484 HydrophobicContact CG-CB 4.34Å; E478-R484 PolarHBondContact O-NE 2.75Å; E478-R484 PolarHBondContact O-NH2 2.87Å; E478-R484 VanDerWaalsContact O-NH2 3.09Å | ||
| 479 | P | 87 | Confident | 91.3 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | trans | -73.1 | -15.1 | 179.2 | 29.6 | -35.3 | 0 | 0 | 0 | 113.5 | L481 | P479-L481 PolarHBondContact O-N 3.19Š| ||
| 480 | N | 91.2 | Very high | 91.4 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | trans | -78.2 | 106.1 | 177.3 | -171.7 | -75.2 | 0 | 0 | 0 | 111.3 | E478 R482 R483 R484 | E478-N480 VanDerWaalsContact C-N 3.28Å; E478-N480 PolarHBondContact O-N 2.99Å; E478-N480 WeakPolarHBondContact OE1-CB 3.48Å; E478-N480 PolarHBondContact OE1-N 3.4Å; N480-R482 VanDerWaalsContact C-N 3.28Å; N480-R482 PolarHBondContact O-N 3.04Å; N480-R482 VanDerWaalsContact O-N 3.14Å; N480-R482 PolarHBondContact OD1-N 3.06Å; N480-R483 HydrophobicContact CB-CB 4.18Å; N480-R483 HydrophobicContact CB-CG 4.2Å; N480-R483 PolarHBondContact O-N 2.65Å; N480-R483 VanDerWaalsContact O-N 3.1Å; N480-R483 PolarHBondContact OD1-N 3.49Å; N480-R483 VanDerWaalsContact OD1-N 3.13Å; N480-R484 WeakPolarHBondContact O-CB 3.26Å; N480-R484 PolarHBondContact O-N 3.26Å | ||
| 481 | L | 88.9 | Confident | 91.5 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -47.2 | -44.7 | -179.4 | 178.2 | 60.2 | 0 | 0 | 0 | 114.1 | P479 R484 I485 S680 | P479-L481 PolarHBondContact O-N 3.19Å; L481-R484 PolarHBondContact O-N 3.28Å; L481-I485 HydrophobicContact CD1-CD1 3.7Å; L481-I485 HydrophobicContact CD1-CG1 4.07Å; L481-I485 HydrophobicContact CG-CD1 3.88Å; L481-I485 WeakPolarHBondContact O-CB 3.3Å; L481-I485 VanDerWaalsContact O-CG1 3.29Å; L481-I485 WeakPolarHBondContact O-CG1 3.38Å; L481-I485 PolarHBondContact O-N 3.46Å; L481-S680 WeakPolarHBondContact CD1-OG 3.42Å |
| 482 | R | 88.4 | Confident | 91.5 | Very high | 195 Ų | 195 | 53.4 Ų | 53.4 | 74% | 0.736 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -71.3 | -36.9 | -176.1 | -167.6 | 178.3 | -176.3 | 110.6 | 0.8 | 112.4 | N480 N486 | N480-R482 VanDerWaalsContact C-N 3.28Å; N480-R482 PolarHBondContact O-N 3.04Å; N480-R482 VanDerWaalsContact O-N 3.14Å; N480-R482 PolarHBondContact OD1-N 3.06Å; R482-N486 PolarHBondContact O-N 3.44Å |
| 483 | R | 91.3 | Very high | 91.5 | Very high | 162 Ų | 162 | 50.4 Ų | 50.4 | 61% | 0.611 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -68.1 | -45.1 | 172.9 | -69 | -178.2 | 178.6 | 175.1 | -2.1 | 111.4 | E478 N480 I485 N486 S487 | E478-R483 HydrophobicContact CG-CB 3.86Å; E478-R483 WeakPolarHBondContact OE2-CD 3.39Å; E478-R483 IonicContact OE2-NH1 2.84Å; N480-R483 HydrophobicContact CB-CB 4.18Å; N480-R483 HydrophobicContact CB-CG 4.2Å; N480-R483 PolarHBondContact O-N 2.65Å; N480-R483 VanDerWaalsContact O-N 3.1Å; N480-R483 PolarHBondContact OD1-N 3.49Å; N480-R483 VanDerWaalsContact OD1-N 3.13Å; R483-I485 PolarHBondContact O-N 2.9Å; R483-N486 PolarHBondContact O-N 3.05Å; R483-S487 WeakPolarHBondContact O-CB 3.2Å; R483-S487 PolarHBondContact O-N 3.46Å |
| 484 | R | 92.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 177.1 | -166.5 | -164.3 | -60.3 | 168.1 | -7.1 | 111.9 | A475 E478 N480 L481 S487 V488 I676 | A475-R484 PolarHBondContact O-NH2 2.93Å; E478-R484 HydrophobicContact CG-CB 4.34Å; E478-R484 PolarHBondContact O-NE 2.75Å; E478-R484 PolarHBondContact O-NH2 2.87Å; E478-R484 VanDerWaalsContact O-NH2 3.09Å; N480-R484 WeakPolarHBondContact O-CB 3.26Å; N480-R484 PolarHBondContact O-N 3.26Å; L481-R484 PolarHBondContact O-N 3.28Å; R484-S487 PolarHBondContact O-N 2.9Å; R484-V488 WeakPolarHBondContact O-CB 3.48Å; R484-V488 VanDerWaalsContact O-CG2 3.29Å; R484-V488 WeakPolarHBondContact O-CG2 3.43Å; R484-V488 PolarHBondContact O-N 2.99Å; R484-I676 HydrophobicContact CG-CD1 3.98Å |
| 485 | I | 91 | Very high | 91.5 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -53.2 | 176.3 | -73.1 | 167.6 | 0 | 0 | 0 | 110.4 | L481 R483 S487 V488 I489 I676 L683 P687 L690 | L481-I485 HydrophobicContact CD1-CD1 3.7Å; L481-I485 HydrophobicContact CD1-CG1 4.07Å; L481-I485 HydrophobicContact CG-CD1 3.88Å; L481-I485 WeakPolarHBondContact O-CB 3.3Å; L481-I485 VanDerWaalsContact O-CG1 3.29Å; L481-I485 WeakPolarHBondContact O-CG1 3.38Å; L481-I485 PolarHBondContact O-N 3.46Å; R483-I485 PolarHBondContact O-N 2.9Å; I485-S487 PolarHBondContact O-N 3.2Å; I485-V488 PolarHBondContact O-N 3.12Å; I485-I489 HydrophobicContact CG2-CD1 3.56Å; I485-I489 VanDerWaalsContact O-CD1 3.26Å; I485-I489 WeakPolarHBondContact O-CD1 3.46Å; I485-I489 WeakPolarHBondContact O-CG1 3.2Å; I485-I489 PolarHBondContact O-N 3.47Å; I485-I676 HydrophobicContact CG1-CD1 4.4Å; I485-I676 HydrophobicContact CG1-CG1 4.05Å; I485-L683 HydrophobicContact CD1-CD1 3.79Å; I485-L683 HydrophobicContact CD1-CD2 3.91Å; I485-L683 HydrophobicContact CD1-CG 4.47Å; I485-P687 HydrophobicContact CD1-CG 4.34Å; I485-P687 HydrophobicContact CG2-CG 4.38Å; I485-L690 HydrophobicContact CG2-CD1 4.39Å; I485-L690 HydrophobicContact CG2-CG 4.08Å |
| 486 | N | 92.1 | Very high | 91.4 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | -179.8 | -78.1 | 13.1 | 0 | 0 | 0 | 112.6 | R482 R483 V488 I489 E490 S689 | R482-N486 PolarHBondContact O-N 3.44Å; R483-N486 PolarHBondContact O-N 3.05Å; N486-V488 VanDerWaalsContact C-N 3.34Å; N486-V488 PolarHBondContact O-N 2.57Å; N486-I489 WeakPolarHBondContact O-CB 3.46Å; N486-I489 PolarHBondContact O-N 3.3Å; N486-I489 VanDerWaalsContact O-N 3.1Å; N486-E490 WeakPolarHBondContact O-CG 3.44Å; N486-E490 PolarHBondContact O-N 3Å; N486-S689 PolarHBondContact OD1-OG 3.17Å |
| 487 | S | 92.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -36.5 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | H474 R483 R484 I485 I489 E490 M491 | H474-S487 PolarHBondContact CE1-OG 3.47Å; R483-S487 WeakPolarHBondContact O-CB 3.2Å; R483-S487 PolarHBondContact O-N 3.46Å; R484-S487 PolarHBondContact O-N 2.9Å; I485-S487 PolarHBondContact O-N 3.2Å; S487-I489 VanDerWaalsContact C-N 3.34Å; S487-E490 PolarHBondContact O-N 3.16Å; S487-M491 WeakPolarHBondContact O-CB 3.35Å; S487-M491 WeakPolarHBondContact O-CE 3.35Å; S487-M491 VanDerWaalsContact O-CG 3.31Å; S487-M491 WeakPolarHBondContact O-CG 3.21Å; S487-M491 PolarHBondContact O-N 3.43Å |
| 488 | V | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L471 R484 I485 N486 M491 I492 M672 I676 | L471-V488 HydrophobicContact CD2-CG1 4.09Å; L471-V488 HydrophobicContact CD2-CG2 3.59Å; R484-V488 WeakPolarHBondContact O-CB 3.48Å; R484-V488 VanDerWaalsContact O-CG2 3.29Å; R484-V488 WeakPolarHBondContact O-CG2 3.43Å; R484-V488 PolarHBondContact O-N 2.99Å; I485-V488 PolarHBondContact O-N 3.12Å; N486-V488 VanDerWaalsContact C-N 3.34Å; N486-V488 PolarHBondContact O-N 2.57Å; V488-M491 HydrophobicContact CB-CE 4.34Å; V488-M491 HydrophobicContact CG2-CE 3.78Å; V488-M491 PolarHBondContact O-N 3.4Å; V488-I492 HydrophobicContact CG1-CD1 4.17Å; V488-I492 VanDerWaalsContact O-CG1 3.27Å; V488-I492 WeakPolarHBondContact O-CG1 3.31Å; V488-I492 PolarHBondContact O-N 3.5Å; V488-M672 HydrophobicContact CG1-CE 4.47Å; V488-I676 HydrophobicContact CB-CG1 4.25Å; V488-I676 HydrophobicContact CG1-CB 4.05Å; V488-I676 HydrophobicContact CG1-CG1 4.3Å; V488-I676 HydrophobicContact CG1-CG2 4.18Å; V488-I676 HydrophobicContact CG2-CD1 4.13Å; V488-I676 HydrophobicContact CG2-CG1 4.36Å |
| 489 | I | 91.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.7 | -42 | 175.8 | -64.8 | 158 | 0 | 0 | 0 | 110.9 | I485 N486 S487 M491 I492 S493 S689 L690 L693 | I485-I489 HydrophobicContact CG2-CD1 3.56Å; I485-I489 VanDerWaalsContact O-CD1 3.26Å; I485-I489 WeakPolarHBondContact O-CD1 3.46Å; I485-I489 WeakPolarHBondContact O-CG1 3.2Å; I485-I489 PolarHBondContact O-N 3.47Å; N486-I489 WeakPolarHBondContact O-CB 3.46Å; N486-I489 PolarHBondContact O-N 3.3Å; N486-I489 VanDerWaalsContact O-N 3.1Å; S487-I489 VanDerWaalsContact C-N 3.34Å; I489-M491 VanDerWaalsContact C-N 3.34Å; I489-M491 PolarHBondContact O-N 3.29Å; I489-I492 PolarHBondContact O-N 2.98Å; I489-S493 PolarHBondContact O-N 2.78Å; I489-S493 PolarHBondContact O-OG 3.14Å; I489-S689 WeakPolarHBondContact CD1-OG 3.36Å; I489-L690 HydrophobicContact CD1-CD2 3.7Å; I489-L690 HydrophobicContact CD1-CG 3.94Å; I489-L690 HydrophobicContact CG1-CD2 3.83Å; I489-L693 HydrophobicContact CB-CD1 4.34Å; I489-L693 HydrophobicContact CG1-CD1 3.84Å; I489-L693 HydrophobicContact CG2-CD1 4.05Å; I489-L693 HydrophobicContact CG2-CG 4.22Å |
| 490 | E | 92.8 | Very high | 86.9 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 51% | 0.514 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 171.3 | -70.9 | 155.1 | -167.4 | 0 | 0 | 110.5 | N486 S487 I492 S493 E494 | N486-E490 WeakPolarHBondContact O-CG 3.44Å; N486-E490 PolarHBondContact O-N 3Å; S487-E490 PolarHBondContact O-N 3.16Å; E490-I492 PolarHBondContact O-N 3.43Å; E490-S493 WeakPolarHBondContact O-CB 3.34Å; E490-S493 PolarHBondContact O-N 3.17Å; E490-E494 PolarHBondContact O-N 3.26Å |
| 491 | M | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.3 | -31.3 | 174.4 | -72.9 | -174.9 | -67.1 | 0 | 0 | 114.3 | H454 I457 T458 S487 V488 I489 L495 M672 | H454-M491 HydrophobicContact CB-SD 4.22Å; H454-M491 WeakPolarHBondContact CD2-CG 3.24Å; H454-M491 PolarHBondContact CD2-SD 3.36Å; I457-M491 HydrophobicContact CB-SD 3.93Å; I457-M491 HydrophobicContact CD1-CE 4.02Å; I457-M491 HydrophobicContact CD1-SD 3.95Å; I457-M491 HydrophobicContact CG2-CB 3.88Å; I457-M491 HydrophobicContact CG2-CE 4.39Å; I457-M491 HydrophobicContact CG2-CG 4.32Å; I457-M491 HydrophobicContact CG2-SD 3.76Å; T458-M491 HydrophobicContact CG2-CB 3.89Å; T458-M491 HydrophobicContact CG2-CG 3.84Å; S487-M491 WeakPolarHBondContact O-CB 3.35Å; S487-M491 WeakPolarHBondContact O-CE 3.35Å; S487-M491 VanDerWaalsContact O-CG 3.31Å; S487-M491 WeakPolarHBondContact O-CG 3.21Å; S487-M491 PolarHBondContact O-N 3.43Å; V488-M491 HydrophobicContact CB-CE 4.34Å; V488-M491 HydrophobicContact CG2-CE 3.78Å; V488-M491 PolarHBondContact O-N 3.4Å; I489-M491 VanDerWaalsContact C-N 3.34Å; I489-M491 PolarHBondContact O-N 3.29Å; M491-L495 VanDerWaalsContact O-CB 3.26Å; M491-L495 WeakPolarHBondContact O-CB 3.14Å; M491-L495 PolarHBondContact O-N 2.9Å; M491-L495 VanDerWaalsContact O-N 3.13Å; M491-M672 HydrophobicContact CB-CE 4.31Å |
| 492 | I | 93.8 | Very high | 81.9 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.6 | -45.4 | 172.3 | -73 | 168.3 | 0 | 0 | 0 | 109.9 | V488 I489 E490 L495 C496 A669 M672 A673 L693 L697 | V488-I492 HydrophobicContact CG1-CD1 4.17Å; V488-I492 VanDerWaalsContact O-CG1 3.27Å; V488-I492 WeakPolarHBondContact O-CG1 3.31Å; V488-I492 PolarHBondContact O-N 3.5Å; I489-I492 PolarHBondContact O-N 2.98Å; E490-I492 PolarHBondContact O-N 3.43Å; I492-L495 PolarHBondContact O-N 2.82Å; I492-C496 PolarHBondContact O-N 2.72Å; I492-A669 HydrophobicContact CG2-CB 4.21Å; I492-M672 HydrophobicContact CD1-CB 4.07Å; I492-M672 HydrophobicContact CG1-CB 4.08Å; I492-M672 HydrophobicContact CG1-CE 3.64Å; I492-A673 HydrophobicContact CD1-CB 4.11Å; I492-L693 HydrophobicContact CD1-CD1 3.76Å; I492-L693 HydrophobicContact CG2-CD1 4.29Å; I492-L693 HydrophobicContact CG2-CD2 3.72Å; I492-L697 HydrophobicContact CG2-CD2 3.72Å |
| 493 | S | 91.3 | Very high | 79.2 | Confident | 59 Ų | 59 | 69 Ų | 69 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | I489 E490 L495 C496 D497 | I489-S493 PolarHBondContact O-N 2.78Å; I489-S493 PolarHBondContact O-OG 3.14Å; E490-S493 WeakPolarHBondContact O-CB 3.34Å; E490-S493 PolarHBondContact O-N 3.17Å; S493-L495 VanDerWaalsContact C-N 3.28Å; S493-L495 PolarHBondContact O-N 3.09Å; S493-C496 PolarHBondContact O-N 2.85Å; S493-D497 WeakPolarHBondContact O-CA 3.47Å; S493-D497 VanDerWaalsContact O-CB 3.26Å; S493-D497 WeakPolarHBondContact O-CB 3.38Å; S493-D497 PolarHBondContact O-N 2.96Å |
| 494 | E | 93.1 | Very high | 76.2 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -31.7 | 178.5 | -72.5 | -174.6 | -161.3 | 0 | 0 | 114.1 | H454 T458 E490 D497 | H454-E494 IonicContact CE1-OE1 3.29Å; H454-E494 IonicContact CE1-OE2 3.76Å; H454-E494 PolarHBondContact CE1-OE2 3.32Å; H454-E494 VanDerWaalsContact CE1-OE2 3.24Å; H454-E494 IonicContact NE2-OE2 3.86Å; T458-E494 HydrophobicContact CG2-CB 3.89Å; E490-E494 PolarHBondContact O-N 3.26Å; E494-D497 CarbonylContact O-C 3.57Å; E494-D497 VanDerWaalsContact O-C 3.29Å |
| 495 | L | 91.5 | Very high | 73.2 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 177.1 | 174.7 | 64.6 | 0 | 0 | 0 | 112.3 | T458 Q460 M491 I492 S493 V665 K668 A669 M672 | T458-L495 VanDerWaalsContact O-CD1 3.26Å; T458-L495 WeakPolarHBondContact O-CD1 3.28Å; Q460-L495 HydrophobicContact CG-CD1 3.92Å; Q460-L495 PolarHBondContact NE2-O 2.82Å; M491-L495 VanDerWaalsContact O-CB 3.26Å; M491-L495 WeakPolarHBondContact O-CB 3.14Å; M491-L495 PolarHBondContact O-N 2.9Å; M491-L495 VanDerWaalsContact O-N 3.13Å; I492-L495 PolarHBondContact O-N 2.82Å; S493-L495 VanDerWaalsContact C-N 3.28Å; S493-L495 PolarHBondContact O-N 3.09Å; L495-V665 HydrophobicContact CG-CG1 4.18Å; L495-K668 HydrophobicContact CD1-CD 4.23Å; L495-K668 HydrophobicContact CD2-CB 4.14Å; L495-K668 HydrophobicContact CD2-CD 3.88Å; L495-K668 HydrophobicContact CD2-CG 3.77Å; L495-A669 HydrophobicContact CD2-CB 4.29Å; L495-M672 HydrophobicContact CD2-SD 3.89Å |
| 496 | C | 88.4 | Confident | 70.3 | Confident | 8 Ų | 8 | 76.7 Ų | 76.7 | 5% | 0.054 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -79 | -32.5 | 173.7 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | I492 S493 P498 R660 | I492-C496 PolarHBondContact O-N 2.72Å; S493-C496 PolarHBondContact O-N 2.85Å; C496-P498 WeakPolarHBondContact O-CD 3.37Å; C496-R660 PolarHBondContact O-NE 3.02Å |
| 497 | D | 84.5 | Confident | 67.4 | Low | 71 Ų | 71 | 79.8 Ų | 79.8 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -114.6 | 63.1 | -175.1 | -75.2 | 39.5 | 0 | 0 | 0 | 111.5 | S493 E494 V499 R660 | S493-D497 WeakPolarHBondContact O-CA 3.47Å; S493-D497 VanDerWaalsContact O-CB 3.26Å; S493-D497 WeakPolarHBondContact O-CB 3.38Å; S493-D497 PolarHBondContact O-N 2.96Å; E494-D497 CarbonylContact O-C 3.57Å; E494-D497 VanDerWaalsContact O-C 3.29Å; D497-V499 PolarHBondContact O-N 3.18Å; D497-V499 VanDerWaalsContact O-N 3.09Å; D497-R660 IonicContact OD1-CZ 3.98Å; D497-R660 IonicContact OD1-NE 2.83Å; D497-R660 IonicContact OD1-NH1 2.68Å; D497-R660 PolarHBondContact OD1-NH1 3.26Å; D497-R660 IonicContact OD1-NH2 3.23Å; D497-R660 IonicContact OD2-CZ 2.61Å; D497-R660 IonicContact OD2-NH1 3.5Å; D497-R660 PolarHBondContact OD2-NH1 3.38Å; D497-R660 IonicContact OD2-NH2 3.02Å; D497-R660 PolarHBondContact OD2-NH2 3.2Å |
| 498 | P | 70.8 | Confident | 64.3 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 117.7 | 179.7 | 27.9 | -35.8 | 0 | 0 | 0 | 110.1 | C496 E500 | C496-P498 WeakPolarHBondContact O-CD 3.37Å; P498-E500 PolarHBondContact O-N 3.07Å |
| 499 | V | 58.7 | Low | 61.5 | Low | 116 Ų | 116 | 90 Ų | 90 | 70% | 0.703 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 119.1 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | D497 | D497-V499 PolarHBondContact O-N 3.18Å; D497-V499 VanDerWaalsContact O-N 3.09Å |
| 500 | E | 52.6 | Low | 58.5 | Low | 174 Ų | 174 | 94.4 Ų | 94.4 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 126.9 | 170.9 | -73.1 | -160.5 | 143.9 | 0 | 0 | 109.4 | P498 Q502 | P498-E500 PolarHBondContact O-N 3.07Å; E500-Q502 PolarHBondContact O-N 2.98Å |
| 501 | P | 40.8 | Very low | 55.4 | Low | 116 Ų | 116 | 96 Ų | 96 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | trans | -63.7 | 115.9 | -173.3 | 24 | -33.4 | 0 | 0 | 0 | 110.2 | N503 | P501-N503 PolarHBondContact O-N 2.81Š| ||
| 502 | Q | 32.7 | Very low | 52.4 | Low | 186 Ų | 186 | 101 Ų | 101 | 87% | 0.869 | 62% | 0.618 | S | S | * | * | trans | -65.8 | 96.4 | -175.1 | -69.8 | -167.6 | 2.4 | 0 | 0 | 111.7 | E500 S504 | E500-Q502 PolarHBondContact O-N 2.98Å; Q502-S504 VanDerWaalsContact C-N 3.3Å; Q502-S504 PolarHBondContact O-N 3.29Å | ||
| 503 | N | 32.9 | Very low | 49.2 | Very low | 154 Ų | 154 | 107.4 Ų | 107.4 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | trans | -65.8 | 89.6 | 166.6 | -84.3 | -36.2 | 0 | 0 | 0 | 110.4 | P501 | P501-N503 PolarHBondContact O-N 2.81Š| ||
| 504 | S | 28.9 | Very low | 46.2 | Very low | 95 Ų | 95 | 113.2 Ų | 113.2 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | trans | 32.6 | 109.3 | 143.4 | 61.8 | 0 | 0 | 0 | 0 | 118.5 | Q502 | Q502-S504 VanDerWaalsContact C-N 3.3Å; Q502-S504 PolarHBondContact O-N 3.29Å | ||
| 505 | L | 28.6 | Very low | 43.1 | Very low | 183 Ų | 183 | 113.5 Ų | 113.5 | 96% | 0.958 | 69% | 0.688 | S | S | * | * | trans | 30.9 | 110.4 | 148.8 | -87.4 | 65.2 | 0 | 0 | 0 | 118.1 | ||||
| 506 | G | 30.1 | Very low | 40.1 | Very low | 79 Ų | 79 | 120.4 Ų | 120.4 | 81% | 0.814 | 73% | 0.725 | S | S | * | * | trans | -155.8 | 25.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | A508 | G506-A508 PolarHBondContact O-N 2.97Š| ||
| 507 | S | 31 | Very low | 37.2 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -68.8 | 131.6 | 178.4 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | V509 | S507-V509 PolarHBondContact O-N 3.17Š| ||
| 508 | A | 28.7 | Very low | 34.5 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 111.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G506 | G506-A508 PolarHBondContact O-N 2.97Š| ||
| 509 | V | 34.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -133.1 | 129.3 | 158.7 | -178.8 | 0 | 0 | 0 | 0 | 109 | S507 | S507-V509 PolarHBondContact O-N 3.17Š| ||
| 510 | S | 27.9 | Very low | 30.8 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -96.9 | 137.5 | -175.9 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 511 | V | 29.4 | Very low | 29.6 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -176.1 | 151.9 | 144.1 | 136.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 512 | P | 29.8 | Very low | 28.8 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -125.3 | 152.9 | -143.6 | 40.3 | -27.5 | 0 | 0 | 0 | 118.9 | ||||
| 513 | V | 27.5 | Very low | 28.7 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 73.2 | 158.1 | 139.5 | 173.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 514 | E | 27.5 | Very low | 28.5 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 77 | 136.4 | -178.1 | -50 | -160.5 | 170.9 | 0 | 0 | 116.8 | ||||
| 515 | S | 29 | Very low | 28.4 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -163.8 | 154 | -15.1 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 516 | N | 29.1 | Very low | 28.4 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 57 | 158.7 | 156.2 | -63.7 | 5.2 | 0 | 0 | 0 | 121.4 | ||||
| 517 | E | 25.9 | Very low | 28.2 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -169.8 | 152 | -44.6 | -135.3 | -174.2 | -147.7 | 0 | 0 | 110 | ||||
| 518 | N | 27.5 | Very low | 28 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 72.2 | 131.9 | 155.5 | -56.5 | -37.3 | 0 | 0 | 0 | 123.6 | ||||
| 519 | G | 27.8 | Very low | 28.2 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 139.1 | 75.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 520 | C | 25.1 | Very low | 28 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 71.4 | 120 | 58.3 | -163 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 521 | L | 26.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | cis | -165.2 | 176.8 | -0.4 | -123.2 | -178.1 | 0 | 0 | 0 | 113.2 | ||||
| 522 | T | 24.6 | Very low | 29.1 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | 86.8 | 141.4 | 165.4 | 76.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 523 | K | 29.7 | Very low | 29.9 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | -139.8 | 162.1 | 23.1 | -77.2 | 172.7 | 144.6 | -88.5 | 0 | 115.6 | ||||
| 524 | E | 29.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | trans | 27.5 | 107.6 | 143.4 | -62.9 | 130.4 | -125 | 0 | 0 | 118.3 | ||||
| 525 | T | 25.6 | Very low | 33.7 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | 76.6 | 102.1 | 61.7 | -54.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 526 | E | 28.9 | Very low | 35.8 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -153.1 | -179.8 | 141.8 | -130.3 | 171.2 | -143.7 | 0 | 0 | 111.7 | ||||
| 527 | C | 25.5 | Very low | 37.9 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | -86.3 | 148.2 | -145.4 | -69.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 528 | T | 28 | Very low | 40.3 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -60.7 | 140.2 | 159.3 | 22.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 529 | N | 32.4 | Very low | 42.7 | Very low | 163 Ų | 163 | 130 Ų | 130 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | trans | -150.5 | 118.9 | 154 | -126.7 | -14.8 | 0 | 0 | 0 | 109.5 | ||||
| 530 | Q | 30.6 | Very low | 45.1 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | trans | -96.3 | 107.9 | 176.7 | -70.8 | 176.8 | -14.1 | 0 | 0 | 108.8 | ||||
| 531 | Q | 37.7 | Very low | 47.9 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | -86.6 | 144.3 | 161.7 | -78.8 | -172.6 | -55.6 | 0 | 0 | 109.9 | A533 | Q531-A533 PolarHBondContact O-N 2.89Š| ||
| 532 | P | 41.5 | Very low | 50.7 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -71.1 | 112.4 | 176.3 | 29.3 | -32.9 | 0 | 0 | 0 | 109.4 | L534 | P532-L534 PolarHBondContact O-N 2.96Š| ||
| 533 | A | 47.8 | Very low | 53.6 | Low | 98 Ų | 98 | 123.9 Ų | 123.9 | 81% | 0.81 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 126 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q531 S535 | Q531-A533 PolarHBondContact O-N 2.89Å; A533-S535 PolarHBondContact O-N 2.79Å |
| 534 | L | 60.9 | Low | 56.2 | Low | 64 Ų | 64 | 122.3 Ų | 122.3 | 34% | 0.335 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 134 | 164.8 | -90.1 | 159.6 | 0 | 0 | 0 | 108.5 | P532 K536 K538 | P532-L534 PolarHBondContact O-N 2.96Å; L534-K536 PolarHBondContact O-N 3.08Å; L534-K538 HydrophobicContact CD2-CD 4Å |
| 535 | S | 73.5 | Confident | 59 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 129.4 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | A533 K537 K538 E539 | A533-S535 PolarHBondContact O-N 2.79Å; S535-K537 PolarHBondContact O-N 3.5Å; S535-K538 WeakPolarHBondContact O-CA 3.49Å; S535-K538 PolarHBondContact O-N 3.21Å; S535-E539 PolarHBondContact O-N 3.04Å |
| 536 | K | 72.7 | Confident | 62 | Low | 172 Ų | 172 | 114.1 Ų | 114.1 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -45.9 | -38.5 | 179.5 | -72.5 | -171.3 | 173.3 | -171.5 | 0 | 112.2 | L534 K538 E539 I540 | L534-K536 PolarHBondContact O-N 3.08Å; K536-K538 PolarHBondContact O-N 2.89Å; K536-E539 PolarHBondContact O-N 2.93Å; K536-I540 WeakPolarHBondContact O-CB 3.44Å; K536-I540 WeakPolarHBondContact O-CD1 3.4Å; K536-I540 VanDerWaalsContact O-CG1 3.23Å; K536-I540 WeakPolarHBondContact O-CG1 3.5Å; K536-I540 PolarHBondContact O-N 2.93Å |
| 537 | K | 73.7 | Confident | 64.6 | Low | 177 Ų | 177 | 107.2 Ų | 107.2 | 77% | 0.77 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.4 | -32.8 | 179.1 | -165.1 | 169.9 | -175.1 | 174.9 | 0 | 113.4 | S535 S541 | S535-K537 PolarHBondContact O-N 3.5Å; K537-S541 WeakPolarHBondContact O-CB 3.15Å; K537-S541 PolarHBondContact O-N 3.15Å |
| 538 | K | 77.1 | Confident | 67.4 | Low | 96 Ų | 96 | 105 Ų | 105 | 42% | 0.417 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -78.8 | -39.2 | 173.7 | -162 | -174.1 | 176.3 | -162.5 | 0 | 111.6 | L534 S535 K536 S541 I542 E592 | L534-K538 HydrophobicContact CD2-CD 4Å; S535-K538 WeakPolarHBondContact O-CA 3.49Å; S535-K538 PolarHBondContact O-N 3.21Å; K536-K538 PolarHBondContact O-N 2.89Å; K538-S541 WeakPolarHBondContact O-CB 3.44Å; K538-S541 PolarHBondContact O-N 2.95Å; K538-I542 HydrophobicContact CG-CD1 4.24Å; K538-I542 WeakPolarHBondContact O-CG1 3.23Å; K538-I542 PolarHBondContact O-N 2.96Å; K538-E592 WeakPolarHBondContact CE-OE1 3.45Å; K538-E592 IonicContact NZ-OE1 3.45Å; K538-E592 PolarHBondContact NZ-OE1 3.49Å |
| 539 | E | 77.7 | Confident | 70.4 | Confident | 60 Ų | 60 | 99.5 Ų | 99.5 | 28% | 0.28 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 174.7 | -166.8 | -162.2 | 151.7 | 0 | 0 | 111.4 | S535 K536 S541 I542 R543 L593 | S535-E539 PolarHBondContact O-N 3.04Å; K536-E539 PolarHBondContact O-N 2.93Å; E539-S541 VanDerWaalsContact C-N 3.32Å; E539-S541 PolarHBondContact O-N 3.45Å; E539-I542 PolarHBondContact O-N 2.95Å; E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 3.42Å; E539-R543 IonicContact OE1-CZ 2.73Å; E539-R543 IonicContact OE1-NE 3.65Å; E539-R543 PolarHBondContact OE1-NE 2.92Å; E539-R543 IonicContact OE1-NH2 3.31Å; E539-R543 PolarHBondContact OE1-NH2 3.36Å; E539-L593 HydrophobicContact CG-CD1 3.66Å |
| 540 | I | 76.9 | Confident | 73.1 | Confident | 103 Ų | 103 | 94.8 Ų | 94.8 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 173.6 | -69 | 163.6 | 0 | 0 | 0 | 110.3 | K536 I542 R543 L544 | K536-I540 WeakPolarHBondContact O-CB 3.44Å; K536-I540 WeakPolarHBondContact O-CD1 3.4Å; K536-I540 VanDerWaalsContact O-CG1 3.23Å; K536-I540 WeakPolarHBondContact O-CG1 3.5Å; K536-I540 PolarHBondContact O-N 2.93Å; I540-I542 VanDerWaalsContact C-N 3.29Å; I540-I542 PolarHBondContact O-N 3.47Å; I540-R543 PolarHBondContact O-N 2.91Å; I540-L544 WeakPolarHBondContact O-CB 3.4Å; I540-L544 PolarHBondContact O-N 3.06Å |
| 541 | S | 84.5 | Confident | 75.8 | Confident | 75 Ų | 75 | 90 Ų | 90 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -32.9 | 179.2 | -170.5 | 0 | 0 | 0 | 0 | 113.9 | K537 K538 E539 K545 | K537-S541 WeakPolarHBondContact O-CB 3.15Å; K537-S541 PolarHBondContact O-N 3.15Å; K538-S541 WeakPolarHBondContact O-CB 3.44Å; K538-S541 PolarHBondContact O-N 2.95Å; E539-S541 VanDerWaalsContact C-N 3.32Å; E539-S541 PolarHBondContact O-N 3.45Å; S541-K545 PolarHBondContact O-N 3.3Å |
| 542 | I | 86.2 | Confident | 78.3 | Confident | 7 Ų | 7 | 88.6 Ų | 88.6 | 4% | 0.036 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -74.7 | -46.3 | 176.3 | -66.3 | 163.7 | 0 | 0 | 0 | 109.8 | K538 E539 I540 L544 K545 I546 L589 E592 L593 | K538-I542 HydrophobicContact CG-CD1 4.24Å; K538-I542 WeakPolarHBondContact O-CG1 3.23Å; K538-I542 PolarHBondContact O-N 2.96Å; E539-I542 PolarHBondContact O-N 2.95Å; I540-I542 VanDerWaalsContact C-N 3.29Å; I540-I542 PolarHBondContact O-N 3.47Å; I542-L544 VanDerWaalsContact C-N 3.34Å; I542-L544 PolarHBondContact O-N 3.3Å; I542-K545 PolarHBondContact O-N 2.97Å; I542-K545 VanDerWaalsContact O-N 3.15Å; I542-I546 HydrophobicContact CG2-CD1 3.9Å; I542-I546 WeakPolarHBondContact O-CG1 3.38Å; I542-I546 PolarHBondContact O-N 3.02Å; I542-L589 HydrophobicContact CG2-CB 4.21Å; I542-L589 HydrophobicContact CG2-CD2 4.25Å; I542-L589 WeakPolarHBondContact CG2-O 3.48Å; I542-E592 HydrophobicContact CD1-CB 4.48Å; I542-E592 HydrophobicContact CD1-CG 3.89Å; I542-E592 WeakPolarHBondContact CD1-OE2 3.28Å; I542-L593 HydrophobicContact CB-CD1 4.08Å; I542-L593 HydrophobicContact CG2-CB 4.04Å; I542-L593 HydrophobicContact CG2-CD1 3.86Å |
| 543 | R | 85.5 | Confident | 80.7 | Confident | 143 Ų | 143 | 84.1 Ų | 84.1 | 54% | 0.54 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 176.1 | -70.2 | 176.6 | -180 | -101.2 | 6.8 | 112.3 | E539 I540 K545 I546 A547 L593 | E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 3.42Å; E539-R543 IonicContact OE1-CZ 2.73Å; E539-R543 IonicContact OE1-NE 3.65Å; E539-R543 PolarHBondContact OE1-NE 2.92Å; E539-R543 IonicContact OE1-NH2 3.31Å; E539-R543 PolarHBondContact OE1-NH2 3.36Å; I540-R543 PolarHBondContact O-N 2.91Å; R543-K545 VanDerWaalsContact C-N 3.29Å; R543-K545 PolarHBondContact O-N 2.7Å; R543-I546 PolarHBondContact O-N 3.42Å; R543-A547 PolarHBondContact O-N 2.92Å; R543-L593 HydrophobicContact CG-CD1 3.88Å; R543-L593 HydrophobicContact CG-CD2 4.19Å |
| 544 | L | 83.9 | Confident | 82.6 | Confident | 122 Ų | 122 | 84.4 Ų | 84.4 | 64% | 0.639 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.6 | -34.8 | 178.9 | -139.2 | 161.3 | 0 | 0 | 0 | 111.4 | I540 I542 S548 | I540-L544 WeakPolarHBondContact O-CB 3.4Å; I540-L544 PolarHBondContact O-N 3.06Å; I542-L544 VanDerWaalsContact C-N 3.34Å; I542-L544 PolarHBondContact O-N 3.3Å; L544-S548 PolarHBondContact O-N 3.44Å; L544-S548 VanDerWaalsContact O-N 3.09Å |
| 545 | K | 87.7 | Confident | 84 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75.1 | -35.1 | 175.4 | -161.3 | 176.9 | 177.8 | -158.9 | 0 | 113.1 | S541 I542 R543 S548 L549 E585 L589 | S541-K545 PolarHBondContact O-N 3.3Å; I542-K545 PolarHBondContact O-N 2.97Å; I542-K545 VanDerWaalsContact O-N 3.15Å; R543-K545 VanDerWaalsContact C-N 3.29Å; R543-K545 PolarHBondContact O-N 2.7Å; K545-S548 WeakPolarHBondContact O-CB 3.27Å; K545-S548 PolarHBondContact O-N 3.18Å; K545-L549 WeakPolarHBondContact O-CG 3.25Å; K545-L549 PolarHBondContact O-N 2.98Å; K545-L549 VanDerWaalsContact O-N 3.1Å; K545-E585 WeakPolarHBondContact CE-OE1 3.32Å; K545-E585 IonicContact NZ-OE1 2.77Å; K545-E585 PolarHBondContact NZ-OE1 3.19Å; K545-L589 HydrophobicContact CB-CD1 4.19Å; K545-L589 HydrophobicContact CD-CD1 3.93Å; K545-L589 HydrophobicContact CG-CD1 3.92Å |
| 546 | I | 90.3 | Very high | 84.8 | Confident | 11 Ų | 11 | 83.2 Ų | 83.2 | 6% | 0.056 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60 | -50.2 | 171.1 | -70.3 | 162.8 | 0 | 0 | 0 | 110.2 | I542 R543 S548 L549 E550 R586 L589 L590 L593 | I542-I546 HydrophobicContact CG2-CD1 3.9Å; I542-I546 WeakPolarHBondContact O-CG1 3.38Å; I542-I546 PolarHBondContact O-N 3.02Å; R543-I546 PolarHBondContact O-N 3.42Å; I546-S548 VanDerWaalsContact C-N 3.29Å; I546-S548 PolarHBondContact O-N 3.05Å; I546-L549 WeakPolarHBondContact O-CB 3.16Å; I546-L549 PolarHBondContact O-N 2.91Å; I546-E550 HydrophobicContact CG2-CG 4.45Å; I546-E550 WeakPolarHBondContact O-CG 3.37Å; I546-E550 PolarHBondContact O-N 3.32Å; I546-R586 HydrophobicContact CG2-CG 4.39Å; I546-L589 HydrophobicContact CD1-CB 4.09Å; I546-L589 HydrophobicContact CG1-CB 3.68Å; I546-L589 HydrophobicContact CG1-CD1 4.42Å; I546-L590 HydrophobicContact CD1-CD2 3.89Å; I546-L590 HydrophobicContact CD1-CG 4.03Å; I546-L593 HydrophobicContact CD1-CD2 4.27Å |
| 547 | A | 82.4 | Confident | 85.7 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R543 L549 E550 V551 | R543-A547 PolarHBondContact O-N 2.92Å; A547-L549 VanDerWaalsContact C-N 3.29Å; A547-L549 PolarHBondContact O-N 3.38Å; A547-E550 PolarHBondContact O-N 3.38Å; A547-V551 WeakPolarHBondContact O-CG2 3.36Å; A547-V551 PolarHBondContact O-N 2.97Å; A547-V551 VanDerWaalsContact O-N 3.07Å |
| 548 | S | 85.2 | Confident | 86.5 | Confident | 75 Ų | 75 | 76.1 Ų | 76.1 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.6 | -32.1 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 113.5 | L544 K545 I546 R552 | L544-S548 PolarHBondContact O-N 3.44Å; L544-S548 VanDerWaalsContact O-N 3.09Å; K545-S548 WeakPolarHBondContact O-CB 3.27Å; K545-S548 PolarHBondContact O-N 3.18Å; I546-S548 VanDerWaalsContact C-N 3.29Å; I546-S548 PolarHBondContact O-N 3.05Å; S548-R552 WeakPolarHBondContact O-CB 3.39Å; S548-R552 PolarHBondContact O-N 2.99Å |
| 549 | L | 91.2 | Very high | 87.2 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -78.2 | -37.6 | 175.7 | -69.4 | 168.4 | 0 | 0 | 0 | 111.5 | K545 I546 A547 R552 M553 L582 E585 R586 L589 | K545-L549 WeakPolarHBondContact O-CG 3.25Å; K545-L549 PolarHBondContact O-N 2.98Å; K545-L549 VanDerWaalsContact O-N 3.1Å; I546-L549 WeakPolarHBondContact O-CB 3.16Å; I546-L549 PolarHBondContact O-N 2.91Å; A547-L549 VanDerWaalsContact C-N 3.29Å; A547-L549 PolarHBondContact O-N 3.38Å; L549-R552 PolarHBondContact O-N 3Å; L549-M553 WeakPolarHBondContact O-CB 3.45Å; L549-M553 PolarHBondContact O-N 3.12Å; L549-L582 HydrophobicContact CD2-CB 4.46Å; L549-L582 HydrophobicContact CD2-CD2 3.85Å; L549-E585 HydrophobicContact CD1-CB 4.01Å; L549-E585 HydrophobicContact CD1-CG 3.86Å; L549-R586 HydrophobicContact CB-CB 4.46Å; L549-R586 HydrophobicContact CD1-CB 4.17Å; L549-L589 HydrophobicContact CD1-CD1 3.58Å |
| 550 | E | 88.5 | Confident | 87.8 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 178.1 | -71.8 | 171 | 156.5 | 0 | 0 | 111.8 | I546 A547 R552 M553 N554 R586 | I546-E550 HydrophobicContact CG2-CG 4.45Å; I546-E550 WeakPolarHBondContact O-CG 3.37Å; I546-E550 PolarHBondContact O-N 3.32Å; A547-E550 PolarHBondContact O-N 3.38Å; E550-R552 PolarHBondContact O-N 3.24Å; E550-M553 PolarHBondContact O-N 2.85Å; E550-N554 PolarHBondContact O-N 3.07Å; E550-R586 VanDerWaalsContact CG-NE 3.33Å; E550-R586 IonicContact OE1-CZ 2.61Å; E550-R586 VanDerWaalsContact OE1-CZ 3.23Å; E550-R586 IonicContact OE1-NE 2.71Å; E550-R586 PolarHBondContact OE1-NE 2.76Å; E550-R586 IonicContact OE1-NH2 3.2Å; E550-R586 PolarHBondContact OE1-NH2 2.99Å |
| 551 | V | 87.6 | Confident | 88.3 | Confident | 87 Ų | 87 | 73.4 Ų | 73.4 | 53% | 0.527 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 171.4 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | A547 M553 N554 E555 | A547-V551 WeakPolarHBondContact O-CG2 3.36Å; A547-V551 PolarHBondContact O-N 2.97Å; A547-V551 VanDerWaalsContact O-N 3.07Å; V551-M553 VanDerWaalsContact C-N 3.3Å; V551-M553 PolarHBondContact O-N 3.26Å; V551-N554 PolarHBondContact O-N 2.82Å; V551-E555 PolarHBondContact O-N 3.4Å |
| 552 | R | 88.8 | Confident | 88.5 | Confident | 140 Ų | 140 | 73.1 Ų | 73.1 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.6 | -30.3 | -177.9 | -161.2 | 73.1 | -173.5 | 167.6 | -1.6 | 113.2 | S548 L549 E550 E555 L556 L582 | S548-R552 WeakPolarHBondContact O-CB 3.39Å; S548-R552 PolarHBondContact O-N 2.99Å; L549-R552 PolarHBondContact O-N 3Å; E550-R552 PolarHBondContact O-N 3.24Å; R552-E555 VanDerWaalsContact CD-OE2 3.31Å; R552-E555 WeakPolarHBondContact CD-OE2 3.47Å; R552-E555 IonicContact CZ-OE2 2.77Å; R552-E555 VanDerWaalsContact CZ-OE2 3.29Å; R552-E555 IonicContact NE-OE2 3.75Å; R552-E555 IonicContact NH1-OE1 3.07Å; R552-E555 IonicContact NH1-OE2 3.16Å; R552-E555 PolarHBondContact NH1-OE2 2.9Å; R552-L556 WeakPolarHBondContact O-CG 3.35Å; R552-L556 PolarHBondContact O-N 3.39Å; R552-L582 HydrophobicContact CB-CD1 3.85Å; R552-L582 HydrophobicContact CG-CD1 3.74Å |
| 553 | M | 92.5 | Very high | 88.7 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 16% | 0.158 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74 | -35.8 | 174.6 | -167.1 | 172.1 | 74.7 | 0 | 0 | 111.6 | L549 E550 V551 L556 N557 C579 L582 D583 | L549-M553 WeakPolarHBondContact O-CB 3.45Å; L549-M553 PolarHBondContact O-N 3.12Å; E550-M553 PolarHBondContact O-N 2.85Å; V551-M553 VanDerWaalsContact C-N 3.3Å; V551-M553 PolarHBondContact O-N 3.26Å; M553-L556 PolarHBondContact O-N 2.9Å; M553-N557 WeakPolarHBondContact O-CB 3.48Å; M553-N557 VanDerWaalsContact O-CG 3.28Å; M553-N557 PolarHBondContact O-N 3.49Å; M553-N557 PolarHBondContact O-ND2 3.4Å; M553-C579 HydrophobicContact CG-CB 4.25Å; M553-L582 HydrophobicContact CB-CD1 4.38Å; M553-D583 HydrophobicContact SD-CB 3.8Å |
| 554 | N | 87.1 | Confident | 88.7 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.8 | -45.4 | 172.8 | -74.4 | -10.8 | 0 | 0 | 0 | 112 | E550 V551 L556 N557 E558 | E550-N554 PolarHBondContact O-N 3.07Å; V551-N554 PolarHBondContact O-N 2.82Å; N554-L556 VanDerWaalsContact C-N 3.28Å; N554-L556 PolarHBondContact O-N 3Å; N554-N557 PolarHBondContact O-N 2.73Å; N554-N557 VanDerWaalsContact O-N 3.15Å; N554-E558 PolarHBondContact O-N 3.39Å |
| 555 | E | 90.6 | Very high | 88.7 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.3 | -42.2 | 173.8 | -70.4 | 174.8 | -177.6 | 0 | 0 | 112.3 | V551 R552 A559 | V551-E555 PolarHBondContact O-N 3.4Å; R552-E555 VanDerWaalsContact CD-OE2 3.31Å; R552-E555 WeakPolarHBondContact CD-OE2 3.47Å; R552-E555 IonicContact CZ-OE2 2.77Å; R552-E555 VanDerWaalsContact CZ-OE2 3.29Å; R552-E555 IonicContact NE-OE2 3.75Å; R552-E555 IonicContact NH1-OE1 3.07Å; R552-E555 IonicContact NH1-OE2 3.16Å; R552-E555 PolarHBondContact NH1-OE2 2.9Å; E555-A559 WeakPolarHBondContact O-CB 3.14Å; E555-A559 PolarHBondContact O-N 3.3Å |
| 556 | L | 91.7 | Very high | 88.8 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.4 | -35 | 177.7 | -72.7 | 172 | 0 | 0 | 0 | 112.8 | R552 M553 N554 L560 L575 A578 C579 L582 | R552-L556 WeakPolarHBondContact O-CG 3.35Å; R552-L556 PolarHBondContact O-N 3.39Å; M553-L556 PolarHBondContact O-N 2.9Å; N554-L556 VanDerWaalsContact C-N 3.28Å; N554-L556 PolarHBondContact O-N 3Å; L556-L560 WeakPolarHBondContact O-CB 3.3Å; L556-L560 PolarHBondContact O-N 2.7Å; L556-L575 HydrophobicContact CD2-CD2 3.55Å; L556-A578 HydrophobicContact CD1-CB 3.89Å; L556-A578 HydrophobicContact CD2-CB 4.46Å; L556-C579 WeakPolarHBondContact CB-SG 3.47Å; L556-L582 HydrophobicContact CD1-CD1 3.59Å; L556-L582 HydrophobicContact CD1-CG 4.39Å |
| 557 | N | 90.3 | Very high | 88.7 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 175.4 | -78.4 | -25.8 | 0 | 0 | 0 | 112.4 | M553 N554 L560 H561 C579 | M553-N557 WeakPolarHBondContact O-CB 3.48Å; M553-N557 VanDerWaalsContact O-CG 3.28Å; M553-N557 PolarHBondContact O-N 3.49Å; M553-N557 PolarHBondContact O-ND2 3.4Å; N554-N557 PolarHBondContact O-N 2.73Å; N554-N557 VanDerWaalsContact O-N 3.15Å; N557-L560 WeakPolarHBondContact O-CB 3.47Å; N557-L560 PolarHBondContact O-N 3.02Å; N557-H561 PolarHBondContact O-N 2.98Å; N557-C579 PolarHBondContact OD1-SG 3.31Å |
| 558 | E | 90.7 | Very high | 89.2 | Confident | 135 Ų | 135 | 77.1 Ų | 77.1 | 63% | 0.631 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.5 | -51.7 | 171.8 | -175.3 | 170.7 | -153.1 | 0 | 0 | 110.4 | N554 L560 H561 D562 | N554-E558 PolarHBondContact O-N 3.39Å; E558-L560 PolarHBondContact O-N 3.11Å; E558-H561 PolarHBondContact O-N 3.12Å; E558-H561 VanDerWaalsContact O-N 3.16Å; E558-D562 WeakPolarHBondContact O-CB 3.5Å; E558-D562 PolarHBondContact O-N 2.92Å |
| 559 | A | 91.8 | Very high | 89.5 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.3 | -34 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | E555 D562 C563 L575 | E555-A559 WeakPolarHBondContact O-CB 3.14Å; E555-A559 PolarHBondContact O-N 3.3Å; A559-D562 PolarHBondContact O-N 3.29Å; A559-C563 WeakPolarHBondContact O-CB 3.43Å; A559-C563 PolarHBondContact O-N 2.69Å; A559-C563 PolarHBondContact O-SG 3.48Å; A559-L575 HydrophobicContact CB-CD1 4.04Å; A559-L575 HydrophobicContact CB-CD2 4.37Å |
| 560 | L | 91 | Very high | 89.4 | Confident | 36 Ų | 36 | 87.3 Ų | 87.3 | 19% | 0.188 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.9 | -50 | 174.7 | 170.6 | 64.3 | 0 | 0 | 0 | 111 | L556 N557 E558 D562 C563 V564 A572 L575 R576 | L556-L560 WeakPolarHBondContact O-CB 3.3Å; L556-L560 PolarHBondContact O-N 2.7Å; N557-L560 WeakPolarHBondContact O-CB 3.47Å; N557-L560 PolarHBondContact O-N 3.02Å; E558-L560 PolarHBondContact O-N 3.11Å; L560-D562 VanDerWaalsContact C-N 3.26Å; L560-D562 PolarHBondContact O-N 2.94Å; L560-C563 PolarHBondContact O-N 3.26Å; L560-V564 HydrophobicContact CD1-CG2 4.45Å; L560-V564 WeakPolarHBondContact O-CG2 3.47Å; L560-V564 PolarHBondContact O-N 3.43Å; L560-A572 HydrophobicContact CD1-CB 3.78Å; L560-A572 WeakPolarHBondContact CD1-O 3.49Å; L560-L575 HydrophobicContact CB-CB 4.23Å; L560-L575 HydrophobicContact CD1-CB 4.34Å; L560-R576 HydrophobicContact CD1-CB 4.24Å; L560-R576 HydrophobicContact CD2-CB 4.27Å |
| 561 | H | 87 | Confident | 89.4 | Confident | 130 Ų | 130 | 90.2 Ų | 90.2 | 60% | 0.602 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.5 | -38.5 | 177.6 | -165 | -39 | 0 | 0 | 0 | 111.2 | N557 E558 V564 S565 | N557-H561 PolarHBondContact O-N 2.98Å; E558-H561 PolarHBondContact O-N 3.12Å; E558-H561 VanDerWaalsContact O-N 3.16Å; H561-V564 PolarHBondContact O-N 3.18Å; H561-S565 PolarHBondContact O-N 3.12Å; H561-S565 PolarHBondContact O-OG 2.77Å; H561-S565 VanDerWaalsContact O-OG 3.1Å |
| 562 | D | 88.1 | Confident | 89.6 | Confident | 69 Ų | 69 | 86.5 Ų | 86.5 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.8 | -154.5 | 29.2 | 0 | 0 | 0 | 111.6 | E558 A559 L560 S565 R566 | E558-D562 WeakPolarHBondContact O-CB 3.5Å; E558-D562 PolarHBondContact O-N 2.92Å; A559-D562 PolarHBondContact O-N 3.29Å; L560-D562 VanDerWaalsContact C-N 3.26Å; L560-D562 PolarHBondContact O-N 2.94Å; D562-S565 PolarHBondContact O-N 2.72Å; D562-R566 VanDerWaalsContact CG-CZ 3.47Å; D562-R566 WeakPolarHBondContact O-CG 3.49Å; D562-R566 PolarHBondContact O-N 2.93Å; D562-R566 VanDerWaalsContact O-N 3.08Å; D562-R566 IonicContact OD1-CZ 3.13Å; D562-R566 IonicContact OD1-NH1 2.66Å; D562-R566 IonicContact OD1-NH2 3.88Å; D562-R566 PolarHBondContact OD1-NH2 2.81Å; D562-R566 IonicContact OD2-CZ 2.91Å; D562-R566 IonicContact OD2-NH1 3.34Å; D562-R566 PolarHBondContact OD2-NH1 3.4Å; D562-R566 IonicContact OD2-NH2 3.86Å; D562-R566 PolarHBondContact OD2-NH2 2.88Å |
| 563 | C | 90.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 82.8 Ų | 82.8 | 1% | 0.014 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 172.4 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | A559 L560 R566 K567 E568 A572 L575 | A559-C563 WeakPolarHBondContact O-CB 3.43Å; A559-C563 PolarHBondContact O-N 2.69Å; A559-C563 PolarHBondContact O-SG 3.48Å; L560-C563 PolarHBondContact O-N 3.26Å; C563-R566 CarbonylContact O-C 3.29Å; C563-R566 PolarHBondContact O-N 3.47Å; C563-K567 PolarHBondContact O-N 3.07Å; C563-E568 HydrophobicContact CB-CB 4.09Å; C563-E568 PolarHBondContact O-N 3.31Å; C563-A572 HydrophobicContact CB-CB 4.03Å; C563-L575 HydrophobicContact CB-CD1 4.3Å; C563-L575 VanDerWaalsContact SG-CD1 3.53Å |
| 564 | V | 86.5 | Confident | 89.8 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 44% | 0.436 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.2 | 170 | 0 | 0 | 0 | 0 | 110.8 | L560 H561 R566 K567 A572 | L560-V564 HydrophobicContact CD1-CG2 4.45Å; L560-V564 WeakPolarHBondContact O-CG2 3.47Å; L560-V564 PolarHBondContact O-N 3.43Å; H561-V564 PolarHBondContact O-N 3.18Å; V564-R566 VanDerWaalsContact C-N 3.31Å; V564-R566 PolarHBondContact O-N 3.38Å; V564-K567 PolarHBondContact O-N 2.94Å; V564-A572 HydrophobicContact CG2-CB 4.07Å |
| 565 | S | 84.2 | Confident | 90.2 | Very high | 80 Ų | 80 | 84.1 Ų | 84.1 | 56% | 0.559 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -57.8 | -41.2 | 173.7 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | H561 D562 K567 | H561-S565 PolarHBondContact O-N 3.12Å; H561-S565 PolarHBondContact O-OG 2.77Å; H561-S565 VanDerWaalsContact O-OG 3.1Å; D562-S565 PolarHBondContact O-N 2.72Å; S565-K567 VanDerWaalsContact C-N 3.31Å; S565-K567 PolarHBondContact O-N 3.25Å |
| 566 | R | 89 | Confident | 90.3 | Very high | 139 Ų | 139 | 85.5 Ų | 85.5 | 53% | 0.525 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -79.9 | -4.6 | 176 | -64.7 | -172.2 | -166.5 | 102.7 | 14.5 | 114.9 | D562 C563 V564 E568 | D562-R566 VanDerWaalsContact CG-CZ 3.47Å; D562-R566 WeakPolarHBondContact O-CG 3.49Å; D562-R566 PolarHBondContact O-N 2.93Å; D562-R566 VanDerWaalsContact O-N 3.08Å; D562-R566 IonicContact OD1-CZ 3.13Å; D562-R566 IonicContact OD1-NH1 2.66Å; D562-R566 IonicContact OD1-NH2 3.88Å; D562-R566 PolarHBondContact OD1-NH2 2.81Å; D562-R566 IonicContact OD2-CZ 2.91Å; D562-R566 IonicContact OD2-NH1 3.34Å; D562-R566 PolarHBondContact OD2-NH1 3.4Å; D562-R566 IonicContact OD2-NH2 3.86Å; D562-R566 PolarHBondContact OD2-NH2 2.88Å; C563-R566 CarbonylContact O-C 3.29Å; C563-R566 PolarHBondContact O-N 3.47Å; V564-R566 VanDerWaalsContact C-N 3.31Å; V564-R566 PolarHBondContact O-N 3.38Å; R566-E568 VanDerWaalsContact C-N 3.27Å; R566-E568 HydrophobicContact CB-CG 4.15Å; R566-E568 PolarHBondContact O-N 2.97Å |
| 567 | K | 88.3 | Confident | 90.3 | Very high | 153 Ų | 153 | 87 Ų | 87 | 67% | 0.665 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 25.8 | -175.3 | -53.5 | 172.8 | -175.2 | 170.3 | 0 | 114.1 | C563 V564 S565 F569 | C563-K567 PolarHBondContact O-N 3.07Å; V564-K567 PolarHBondContact O-N 2.94Å; S565-K567 VanDerWaalsContact C-N 3.31Å; S565-K567 PolarHBondContact O-N 3.25Å; K567-F569 HydrophobicContact CB-CD2 4.45Å; K567-F569 HydrophobicContact CB-CE2 3.77Å; K567-F569 HydrophobicContact CB-CZ 3.89Å; K567-F569 HydrophobicContact CG-CE2 4.4Å; K567-F569 HydrophobicContact CG-CZ 4.12Å; K567-F569 VanDerWaalsContact O-CD2 3.27Å; K567-F569 WeakPolarHBondContact O-CD2 3.43Å; K567-F569 PolarHBondContact O-N 3.43Å |
| 568 | E | 93.4 | Very high | 90.5 | Very high | 68 Ų | 68 | 85.3 Ų | 85.3 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | trans | -78.5 | 60 | 173.4 | -68.6 | 178.2 | -140.6 | 0 | 0 | 110.7 | C563 R566 E570 R571 A572 | C563-E568 HydrophobicContact CB-CB 4.09Å; C563-E568 PolarHBondContact O-N 3.31Å; R566-E568 VanDerWaalsContact C-N 3.27Å; R566-E568 HydrophobicContact CB-CG 4.15Å; R566-E568 PolarHBondContact O-N 2.97Å; E568-E570 VanDerWaalsContact C-N 3.3Å; E568-E570 PolarHBondContact O-N 3.36Å; E568-R571 HydrophobicContact CB-CB 4.31Å; E568-R571 PolarHBondContact O-N 3.2Å; E568-R571 WeakPolarHBondContact OE2-CD 3.45Å; E568-R571 IonicContact OE2-CZ 3.76Å; E568-R571 IonicContact OE2-NE 2.72Å; E568-R571 IonicContact OE2-NH1 2.66Å; E568-R571 PolarHBondContact OE2-NH1 3.18Å; E568-A572 WeakPolarHBondContact O-CB 3.27Å; E568-A572 PolarHBondContact O-N 3.04Å | ||
| 569 | F | 90.1 | Very high | 90.5 | Very high | 131 Ų | 131 | 79.2 Ų | 79.2 | 58% | 0.575 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.9 | -32.9 | -168.6 | -60.8 | -64.8 | 0 | 0 | 0 | 115.1 | K567 A572 T573 | K567-F569 HydrophobicContact CB-CD2 4.45Å; K567-F569 HydrophobicContact CB-CE2 3.77Å; K567-F569 HydrophobicContact CB-CZ 3.89Å; K567-F569 HydrophobicContact CG-CE2 4.4Å; K567-F569 HydrophobicContact CG-CZ 4.12Å; K567-F569 VanDerWaalsContact O-CD2 3.27Å; K567-F569 WeakPolarHBondContact O-CD2 3.43Å; K567-F569 PolarHBondContact O-N 3.43Å; F569-A572 PolarHBondContact O-N 2.92Å; F569-T573 PolarHBondContact O-N 3.04Å; F569-T573 PolarHBondContact O-OG1 2.9Å |
| 570 | E | 89.6 | Confident | 90.5 | Very high | 173 Ų | 173 | 81.8 Ų | 81.8 | 81% | 0.808 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.3 | -49.4 | -179.9 | -155.3 | 160 | -139.8 | 0 | 0 | 110 | E568 A572 T573 E574 | E568-E570 VanDerWaalsContact C-N 3.3Å; E568-E570 PolarHBondContact O-N 3.36Å; E570-A572 PolarHBondContact O-N 3.23Å; E570-T573 VanDerWaalsContact O-CB 3.29Å; E570-T573 WeakPolarHBondContact O-CB 3.37Å; E570-T573 PolarHBondContact O-N 2.64Å; E570-T573 VanDerWaalsContact O-N 3.08Å; E570-E574 PolarHBondContact O-N 2.88Å; E570-E574 VanDerWaalsContact O-N 3.12Å |
| 571 | R | 89.2 | Confident | 90.6 | Very high | 125 Ų | 125 | 87.2 Ų | 87.2 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 173.2 | -171 | -177.9 | -179.6 | -168 | -0.6 | 113 | E568 T573 E574 L575 | E568-R571 HydrophobicContact CB-CB 4.31Å; E568-R571 PolarHBondContact O-N 3.2Å; E568-R571 WeakPolarHBondContact OE2-CD 3.45Å; E568-R571 IonicContact OE2-CZ 3.76Å; E568-R571 IonicContact OE2-NE 2.72Å; E568-R571 IonicContact OE2-NH1 2.66Å; E568-R571 PolarHBondContact OE2-NH1 3.18Å; R571-T573 PolarHBondContact O-N 3.11Å; R571-E574 PolarHBondContact O-N 3.13Å; R571-L575 HydrophobicContact CG-CD1 4.3Å; R571-L575 VanDerWaalsContact O-CG 3.31Å; R571-L575 WeakPolarHBondContact O-CG 3.19Å; R571-L575 PolarHBondContact O-N 2.74Å |
| 572 | A | 92.2 | Very high | 90.9 | Very high | 9 Ų | 9 | 82.5 Ų | 82.5 | 7% | 0.074 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L560 C563 V564 E568 F569 E570 R576 | L560-A572 HydrophobicContact CD1-CB 3.78Å; L560-A572 WeakPolarHBondContact CD1-O 3.49Å; C563-A572 HydrophobicContact CB-CB 4.03Å; V564-A572 HydrophobicContact CG2-CB 4.07Å; E568-A572 WeakPolarHBondContact O-CB 3.27Å; E568-A572 PolarHBondContact O-N 3.04Å; F569-A572 PolarHBondContact O-N 2.92Å; E570-A572 PolarHBondContact O-N 3.23Å; A572-R576 WeakPolarHBondContact O-CB 3.42Å; A572-R576 PolarHBondContact O-N 3.06Å |
| 573 | T | 91.2 | Very high | 90.9 | Very high | 62 Ų | 62 | 82 Ų | 82 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 175.1 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | F569 E570 R571 L575 R576 D577 | F569-T573 PolarHBondContact O-N 3.04Å; F569-T573 PolarHBondContact O-OG1 2.9Å; E570-T573 VanDerWaalsContact O-CB 3.29Å; E570-T573 WeakPolarHBondContact O-CB 3.37Å; E570-T573 PolarHBondContact O-N 2.64Å; E570-T573 VanDerWaalsContact O-N 3.08Å; R571-T573 PolarHBondContact O-N 3.11Å; T573-L575 PolarHBondContact O-N 3.29Å; T573-R576 PolarHBondContact O-N 3.35Å; T573-D577 WeakPolarHBondContact O-CB 3.33Å; T573-D577 VanDerWaalsContact O-CG 3.32Å; T573-D577 PolarHBondContact O-N 2.73Å |
| 574 | E | 93.5 | Very high | 91 | Very high | 137 Ų | 137 | 86.7 Ų | 86.7 | 64% | 0.64 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 174.8 | -63.9 | -176.4 | 145.3 | 0 | 0 | 112.9 | E570 R571 D577 A578 | E570-E574 PolarHBondContact O-N 2.88Å; E570-E574 VanDerWaalsContact O-N 3.12Å; R571-E574 PolarHBondContact O-N 3.13Å; E574-D577 PolarHBondContact O-N 2.93Å; E574-A578 WeakPolarHBondContact O-CB 3.33Å; E574-A578 PolarHBondContact O-N 2.99Å |
| 575 | L | 94.2 | Very high | 91.2 | Very high | 25 Ų | 25 | 86.4 Ų | 86.4 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 179.2 | -70.7 | 168.8 | 0 | 0 | 0 | 112 | L556 A559 L560 C563 R571 T573 D577 A578 C579 | L556-L575 HydrophobicContact CD2-CD2 3.55Å; A559-L575 HydrophobicContact CB-CD1 4.04Å; A559-L575 HydrophobicContact CB-CD2 4.37Å; L560-L575 HydrophobicContact CB-CB 4.23Å; L560-L575 HydrophobicContact CD1-CB 4.34Å; C563-L575 HydrophobicContact CB-CD1 4.3Å; C563-L575 VanDerWaalsContact SG-CD1 3.53Å; R571-L575 HydrophobicContact CG-CD1 4.3Å; R571-L575 VanDerWaalsContact O-CG 3.31Å; R571-L575 WeakPolarHBondContact O-CG 3.19Å; R571-L575 PolarHBondContact O-N 2.74Å; T573-L575 PolarHBondContact O-N 3.29Å; L575-D577 VanDerWaalsContact C-N 3.34Å; L575-D577 PolarHBondContact O-N 3.15Å; L575-A578 WeakPolarHBondContact O-CB 3.47Å; L575-A578 PolarHBondContact O-N 3.5Å; L575-A578 VanDerWaalsContact O-N 3.15Å; L575-C579 PolarHBondContact O-N 3.33Å |
| 576 | R | 93.1 | Very high | 91.6 | Very high | 118 Ų | 118 | 85.7 Ų | 85.7 | 45% | 0.445 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.9 | -175.3 | -158.4 | 66.9 | -163.8 | -3.8 | 111.5 | L560 A572 T573 A578 C579 N580 | L560-R576 HydrophobicContact CD1-CB 4.24Å; L560-R576 HydrophobicContact CD2-CB 4.27Å; A572-R576 WeakPolarHBondContact O-CB 3.42Å; A572-R576 PolarHBondContact O-N 3.06Å; T573-R576 PolarHBondContact O-N 3.35Å; R576-A578 PolarHBondContact O-N 3.21Å; R576-C579 WeakPolarHBondContact O-CB 3.47Å; R576-C579 PolarHBondContact O-N 2.9Å; R576-N580 PolarHBondContact O-N 2.98Å; R576-N580 PolarHBondContact O-ND2 2.67Å |
| 577 | D | 93.3 | Very high | 91.6 | Very high | 63 Ų | 63 | 82.4 Ų | 82.4 | 34% | 0.337 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.8 | -16.6 | 178.9 | -70.1 | 8 | 0 | 0 | 0 | 112.5 | T573 E574 L575 K581 | T573-D577 WeakPolarHBondContact O-CB 3.33Å; T573-D577 VanDerWaalsContact O-CG 3.32Å; T573-D577 PolarHBondContact O-N 2.73Å; E574-D577 PolarHBondContact O-N 2.93Å; L575-D577 VanDerWaalsContact C-N 3.34Å; L575-D577 PolarHBondContact O-N 3.15Å; D577-K581 WeakPolarHBondContact O-CD 3.33Å; D577-K581 WeakPolarHBondContact O-CG 3.47Å |
| 578 | A | 93.5 | Very high | 91.7 | Very high | 29 Ų | 29 | 81.4 Ų | 81.4 | 24% | 0.24 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -78.3 | -45.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L556 E574 L575 R576 N580 K581 L582 | L556-A578 HydrophobicContact CD1-CB 3.89Å; L556-A578 HydrophobicContact CD2-CB 4.46Å; E574-A578 WeakPolarHBondContact O-CB 3.33Å; E574-A578 PolarHBondContact O-N 2.99Å; L575-A578 WeakPolarHBondContact O-CB 3.47Å; L575-A578 PolarHBondContact O-N 3.5Å; L575-A578 VanDerWaalsContact O-N 3.15Å; R576-A578 PolarHBondContact O-N 3.21Å; A578-N580 VanDerWaalsContact C-N 3.31Å; A578-N580 PolarHBondContact O-N 2.7Å; A578-K581 WeakPolarHBondContact O-CB 3.26Å; A578-K581 PolarHBondContact O-N 2.76Å; A578-K581 VanDerWaalsContact O-N 3.07Å; A578-L582 PolarHBondContact O-N 3.48Å |
| 579 | C | 91.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 79.1 Ų | 79.1 | 5% | 0.054 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.9 | -48 | 172.3 | -71.2 | 0 | 0 | 0 | 0 | 111.6 | M553 L556 N557 L575 R576 K581 L582 D583 | M553-C579 HydrophobicContact CG-CB 4.25Å; L556-C579 WeakPolarHBondContact CB-SG 3.47Å; N557-C579 PolarHBondContact OD1-SG 3.31Å; L575-C579 PolarHBondContact O-N 3.33Å; R576-C579 WeakPolarHBondContact O-CB 3.47Å; R576-C579 PolarHBondContact O-N 2.9Å; C579-K581 PolarHBondContact O-N 3.39Å; C579-K581 VanDerWaalsContact O-N 3.16Å; C579-L582 PolarHBondContact O-N 3.36Å; C579-D583 PolarHBondContact O-N 2.79Å |
| 580 | N | 90.5 | Very high | 91.3 | Very high | 88 Ų | 88 | 74.1 Ų | 74.1 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.2 | -32.7 | 177.8 | -72.7 | -23.9 | 0 | 0 | 0 | 113.1 | R576 A578 I584 | R576-N580 PolarHBondContact O-N 2.98Å; R576-N580 PolarHBondContact O-ND2 2.67Å; A578-N580 VanDerWaalsContact C-N 3.31Å; A578-N580 PolarHBondContact O-N 2.7Å; N580-I584 WeakPolarHBondContact O-CD1 3.47Å; N580-I584 VanDerWaalsContact O-CG1 3.24Å; N580-I584 WeakPolarHBondContact O-CG1 3.46Å; N580-I584 PolarHBondContact O-N 2.61Å |
| 581 | K | 93.5 | Very high | 90.9 | Very high | 150 Ų | 150 | 71.1 Ų | 71.1 | 65% | 0.652 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -74.7 | -39 | 176.1 | -70.8 | 166.3 | -172.4 | 163.2 | 0 | 112.2 | D577 A578 C579 I584 E585 | D577-K581 WeakPolarHBondContact O-CD 3.33Å; D577-K581 WeakPolarHBondContact O-CG 3.47Å; A578-K581 WeakPolarHBondContact O-CB 3.26Å; A578-K581 PolarHBondContact O-N 2.76Å; A578-K581 VanDerWaalsContact O-N 3.07Å; C579-K581 PolarHBondContact O-N 3.39Å; C579-K581 VanDerWaalsContact O-N 3.16Å; K581-I584 PolarHBondContact O-N 3.27Å; K581-E585 PolarHBondContact O-N 3.31Å; K581-E585 VanDerWaalsContact O-N 3.14Å |
| 582 | L | 92.7 | Very high | 90.7 | Very high | 31 Ų | 31 | 69 Ų | 69 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68 | -39 | 177.2 | -60.7 | -173.9 | 0 | 0 | 0 | 111.8 | L549 R552 M553 L556 A578 C579 I584 E585 R586 | L549-L582 HydrophobicContact CD2-CB 4.46Å; L549-L582 HydrophobicContact CD2-CD2 3.85Å; R552-L582 HydrophobicContact CB-CD1 3.85Å; R552-L582 HydrophobicContact CG-CD1 3.74Å; M553-L582 HydrophobicContact CB-CD1 4.38Å; L556-L582 HydrophobicContact CD1-CD1 3.59Å; L556-L582 HydrophobicContact CD1-CG 4.39Å; A578-L582 PolarHBondContact O-N 3.48Å; C579-L582 PolarHBondContact O-N 3.36Å; L582-I584 VanDerWaalsContact C-N 3.3Å; L582-I584 PolarHBondContact O-N 3.48Å; L582-E585 PolarHBondContact O-N 3.34Å; L582-R586 VanDerWaalsContact O-CB 3.27Å; L582-R586 WeakPolarHBondContact O-CB 3.44Å; L582-R586 PolarHBondContact O-N 2.91Å |
| 583 | D | 89.3 | Confident | 90.1 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.9 | -27.3 | 178.9 | -157.7 | 38.8 | 0 | 0 | 0 | 112.1 | M553 C579 R586 T587 | M553-D583 HydrophobicContact SD-CB 3.8Å; C579-D583 PolarHBondContact O-N 2.79Å; D583-R586 IonicContact OD1-CZ 3.89Å; D583-R586 IonicContact OD1-NH1 3.8Å; D583-R586 PolarHBondContact OD1-NH1 3.13Å; D583-T587 VanDerWaalsContact O-CB 3.25Å; D583-T587 WeakPolarHBondContact O-CB 3.38Å; D583-T587 PolarHBondContact O-N 3.03Å; D583-T587 PolarHBondContact O-OG1 2.71Å |
| 584 | I | 91.6 | Very high | 89.4 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 52% | 0.518 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -51.9 | 166.5 | -69.2 | 164.9 | 0 | 0 | 0 | 110.8 | N580 K581 L582 R586 T587 E588 | N580-I584 WeakPolarHBondContact O-CD1 3.47Å; N580-I584 VanDerWaalsContact O-CG1 3.24Å; N580-I584 WeakPolarHBondContact O-CG1 3.46Å; N580-I584 PolarHBondContact O-N 2.61Å; K581-I584 PolarHBondContact O-N 3.27Å; L582-I584 VanDerWaalsContact C-N 3.3Å; L582-I584 PolarHBondContact O-N 3.48Å; I584-R586 VanDerWaalsContact C-N 3.28Å; I584-R586 PolarHBondContact O-N 3.43Å; I584-T587 WeakPolarHBondContact O-CB 3.39Å; I584-T587 PolarHBondContact O-N 2.97Å; I584-T587 VanDerWaalsContact O-N 3.1Å; I584-E588 PolarHBondContact O-N 2.99Å |
| 585 | E | 91.6 | Very high | 87.9 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.5 | -169.1 | -179.3 | 172 | 0 | 0 | 111.7 | K545 L549 K581 L582 E588 L589 | K545-E585 WeakPolarHBondContact CE-OE1 3.32Å; K545-E585 IonicContact NZ-OE1 2.77Å; K545-E585 PolarHBondContact NZ-OE1 3.19Å; L549-E585 HydrophobicContact CD1-CB 4.01Å; L549-E585 HydrophobicContact CD1-CG 3.86Å; K581-E585 PolarHBondContact O-N 3.31Å; K581-E585 VanDerWaalsContact O-N 3.14Å; L582-E585 PolarHBondContact O-N 3.34Å; E585-E588 PolarHBondContact O-N 3.11Å; E585-L589 HydrophobicContact CG-CD1 4.29Å; E585-L589 WeakPolarHBondContact O-CG 3.25Å; E585-L589 PolarHBondContact O-N 3.11Å |
| 586 | R | 91.6 | Very high | 85.6 | Confident | 64 Ų | 64 | 74.9 Ų | 74.9 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 173.3 | 178.4 | 179.2 | 172.4 | -107.5 | 2.4 | 111.5 | I546 L549 E550 L582 D583 I584 L589 L590 | I546-R586 HydrophobicContact CG2-CG 4.39Å; L549-R586 HydrophobicContact CB-CB 4.46Å; L549-R586 HydrophobicContact CD1-CB 4.17Å; E550-R586 VanDerWaalsContact CG-NE 3.33Å; E550-R586 IonicContact OE1-CZ 2.61Å; E550-R586 VanDerWaalsContact OE1-CZ 3.23Å; E550-R586 IonicContact OE1-NE 2.71Å; E550-R586 PolarHBondContact OE1-NE 2.76Å; E550-R586 IonicContact OE1-NH2 3.2Å; E550-R586 PolarHBondContact OE1-NH2 2.99Å; L582-R586 VanDerWaalsContact O-CB 3.27Å; L582-R586 WeakPolarHBondContact O-CB 3.44Å; L582-R586 PolarHBondContact O-N 2.91Å; D583-R586 IonicContact OD1-CZ 3.89Å; D583-R586 IonicContact OD1-NH1 3.8Å; D583-R586 PolarHBondContact OD1-NH1 3.13Å; I584-R586 VanDerWaalsContact C-N 3.28Å; I584-R586 PolarHBondContact O-N 3.43Å; R586-L589 PolarHBondContact O-N 3.34Å; R586-L590 HydrophobicContact CG-CD1 4.03Å; R586-L590 WeakPolarHBondContact O-CB 3.27Å; R586-L590 VanDerWaalsContact O-CG 3.31Å; R586-L590 WeakPolarHBondContact O-CG 3.36Å; R586-L590 PolarHBondContact O-N 3.23Å |
| 587 | T | 89.2 | Confident | 83 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 177.8 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | D583 I584 L590 Q591 | D583-T587 VanDerWaalsContact O-CB 3.25Å; D583-T587 WeakPolarHBondContact O-CB 3.38Å; D583-T587 PolarHBondContact O-N 3.03Å; D583-T587 PolarHBondContact O-OG1 2.71Å; I584-T587 WeakPolarHBondContact O-CB 3.39Å; I584-T587 PolarHBondContact O-N 2.97Å; I584-T587 VanDerWaalsContact O-N 3.1Å; T587-L590 PolarHBondContact O-N 2.83Å; T587-Q591 WeakPolarHBondContact O-CB 3.48Å; T587-Q591 PolarHBondContact O-N 2.87Å |
| 588 | E | 90.9 | Very high | 80.4 | Confident | 132 Ų | 132 | 76.6 Ų | 76.6 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.4 | -46.3 | 174.1 | -71.1 | -175.5 | 170.8 | 0 | 0 | 111.7 | I584 E585 Q591 E592 | I584-E588 PolarHBondContact O-N 2.99Å; E585-E588 PolarHBondContact O-N 3.11Å; E588-Q591 WeakPolarHBondContact O-CB 3.28Å; E588-Q591 PolarHBondContact O-N 3.47Å; E588-Q591 VanDerWaalsContact O-N 3.08Å; E588-E592 PolarHBondContact O-N 3.13Å |
| 589 | L | 89.5 | Confident | 77.3 | Confident | 21 Ų | 21 | 82 Ų | 82 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 177 | -71.6 | 167.5 | 0 | 0 | 0 | 112.7 | I542 K545 I546 L549 E585 R586 Q591 E592 L593 | I542-L589 HydrophobicContact CG2-CB 4.21Å; I542-L589 HydrophobicContact CG2-CD2 4.25Å; I542-L589 WeakPolarHBondContact CG2-O 3.48Å; K545-L589 HydrophobicContact CB-CD1 4.19Å; K545-L589 HydrophobicContact CD-CD1 3.93Å; K545-L589 HydrophobicContact CG-CD1 3.92Å; I546-L589 HydrophobicContact CD1-CB 4.09Å; I546-L589 HydrophobicContact CG1-CB 3.68Å; I546-L589 HydrophobicContact CG1-CD1 4.42Å; L549-L589 HydrophobicContact CD1-CD1 3.58Å; E585-L589 HydrophobicContact CG-CD1 4.29Å; E585-L589 WeakPolarHBondContact O-CG 3.25Å; E585-L589 PolarHBondContact O-N 3.11Å; R586-L589 PolarHBondContact O-N 3.34Å; L589-Q591 PolarHBondContact O-N 3.35Å; L589-E592 PolarHBondContact O-N 3.48Å; L589-L593 WeakPolarHBondContact O-CB 3.27Å; L589-L593 PolarHBondContact O-N 2.9Å |
| 590 | L | 85.4 | Confident | 74.4 | Confident | 25 Ų | 25 | 89.8 Ų | 89.8 | 13% | 0.131 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64 | -27.8 | 171.4 | -78 | 167.7 | 0 | 0 | 0 | 112.4 | I546 R586 T587 R594 | I546-L590 HydrophobicContact CD1-CD2 3.89Å; I546-L590 HydrophobicContact CD1-CG 4.03Å; R586-L590 HydrophobicContact CG-CD1 4.03Å; R586-L590 WeakPolarHBondContact O-CB 3.27Å; R586-L590 VanDerWaalsContact O-CG 3.31Å; R586-L590 WeakPolarHBondContact O-CG 3.36Å; R586-L590 PolarHBondContact O-N 3.23Å; T587-L590 PolarHBondContact O-N 2.83Å; L590-R594 VanDerWaalsContact O-CG 3.26Å; L590-R594 WeakPolarHBondContact O-CG 3.24Å; L590-R594 PolarHBondContact O-N 3.15Å; L590-R594 PolarHBondContact O-NE 3.42Å |
| 591 | Q | 82.2 | Confident | 71.4 | Confident | 111 Ų | 111 | 91.2 Ų | 91.2 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -79.6 | -38.1 | 176.4 | -160.3 | 167.7 | 102.2 | 0 | 0 | 111.7 | T587 E588 L589 R594 | T587-Q591 WeakPolarHBondContact O-CB 3.48Å; T587-Q591 PolarHBondContact O-N 2.87Å; E588-Q591 WeakPolarHBondContact O-CB 3.28Å; E588-Q591 PolarHBondContact O-N 3.47Å; E588-Q591 VanDerWaalsContact O-N 3.08Å; L589-Q591 PolarHBondContact O-N 3.35Å; Q591-R594 PolarHBondContact O-N 3.15Å |
| 592 | E | 84 | Confident | 68.4 | Low | 79 Ų | 79 | 91.7 Ų | 91.7 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 169.8 | -169.6 | 177.8 | -156.9 | 0 | 0 | 111.4 | K538 I542 E588 L589 R594 G595 | K538-E592 WeakPolarHBondContact CE-OE1 3.45Å; K538-E592 IonicContact NZ-OE1 3.45Å; K538-E592 PolarHBondContact NZ-OE1 3.49Å; I542-E592 HydrophobicContact CD1-CB 4.48Å; I542-E592 HydrophobicContact CD1-CG 3.89Å; I542-E592 WeakPolarHBondContact CD1-OE2 3.28Å; E588-E592 PolarHBondContact O-N 3.13Å; L589-E592 PolarHBondContact O-N 3.48Å; E592-R594 VanDerWaalsContact C-N 3.29Å; E592-R594 PolarHBondContact O-N 3.27Å; E592-G595 PolarHBondContact O-N 3Å |
| 593 | L | 80.5 | Confident | 65.4 | Low | 42 Ų | 42 | 99.6 Ų | 99.6 | 22% | 0.22 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 177.9 | -165.3 | 76.8 | 0 | 0 | 0 | 112.6 | E539 I542 R543 I546 L589 G595 | E539-L593 HydrophobicContact CG-CD1 3.66Å; I542-L593 HydrophobicContact CB-CD1 4.08Å; I542-L593 HydrophobicContact CG2-CB 4.04Å; I542-L593 HydrophobicContact CG2-CD1 3.86Å; R543-L593 HydrophobicContact CG-CD1 3.88Å; R543-L593 HydrophobicContact CG-CD2 4.19Å; I546-L593 HydrophobicContact CD1-CD2 4.27Å; L589-L593 WeakPolarHBondContact O-CB 3.27Å; L589-L593 PolarHBondContact O-N 2.9Å; L593-G595 PolarHBondContact O-N 3.35Å |
| 594 | R | 76.1 | Confident | 62.6 | Low | 159 Ų | 159 | 102.4 Ų | 102.4 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 3.1 | 177 | -68.4 | 173.7 | -151.9 | -105 | -1.9 | 113.5 | L590 Q591 E592 N596 | L590-R594 VanDerWaalsContact O-CG 3.26Å; L590-R594 WeakPolarHBondContact O-CG 3.24Å; L590-R594 PolarHBondContact O-N 3.15Å; L590-R594 PolarHBondContact O-NE 3.42Å; Q591-R594 PolarHBondContact O-N 3.15Å; E592-R594 VanDerWaalsContact C-N 3.29Å; E592-R594 PolarHBondContact O-N 3.27Å; R594-N596 PolarHBondContact O-N 2.93Å |
| 595 | G | 61.1 | Low | 59.8 | Low | 40 Ų | 40 | 103.5 Ų | 103.5 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.2 | 6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E592 L593 I597 | E592-G595 PolarHBondContact O-N 3Å; L593-G595 PolarHBondContact O-N 3.35Å; G595-I597 PolarHBondContact O-N 3.29Å |
| 596 | N | 46.4 | Very low | 57 | Low | 116 Ų | 116 | 107.4 Ų | 107.4 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | trans | -81.3 | 83.3 | 178.6 | -93.6 | -8.1 | 0 | 0 | 0 | 110.3 | R594 G598 | R594-N596 PolarHBondContact O-N 2.93Å; N596-G598 PolarHBondContact O-N 2.93Å | ||
| 597 | I | 38.5 | Very low | 54.2 | Low | 157 Ų | 157 | 109.5 Ų | 109.5 | 81% | 0.805 | 61% | 0.607 | S | S | * | * | trans | -68.6 | 89.4 | 163.2 | -57.8 | 178.8 | 0 | 0 | 0 | 107.8 | G595 I599 | G595-I597 PolarHBondContact O-N 3.29Å; I597-I599 PolarHBondContact O-N 3.47Å; I597-I599 VanDerWaalsContact O-N 3.14Å | ||
| 598 | G | 38.4 | Very low | 51.5 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 62% | 0.619 | 63% | 0.626 | S | S | * | * | trans | -63.4 | 109.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N596 L600 | N596-G598 PolarHBondContact O-N 2.93Å; G598-L600 VanDerWaalsContact C-N 3.35Å; G598-L600 PolarHBondContact O-N 3.5Å | ||
| 599 | I | 29 | Very low | 48.6 | Very low | 143 Ų | 143 | 111 Ų | 111 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | -71.4 | 92.7 | 176.4 | -58.8 | 178.3 | 0 | 0 | 0 | 108.7 | I597 T601 | I597-I599 PolarHBondContact O-N 3.47Å; I597-I599 VanDerWaalsContact O-N 3.14Å; I599-T601 HydrophobicContact CG2-CG2 3.83Å | ||
| 600 | L | 29.6 | Very low | 45.7 | Very low | 172 Ų | 172 | 115.7 Ų | 115.7 | 90% | 0.901 | 67% | 0.666 | S | S | * | * | trans | -105.6 | 61.5 | 168.7 | -114 | 164.6 | 0 | 0 | 0 | 109.8 | G598 D602 | G598-L600 VanDerWaalsContact C-N 3.35Å; G598-L600 PolarHBondContact O-N 3.5Å; L600-D602 PolarHBondContact O-N 2.89Å | ||
| 601 | T | 28.3 | Very low | 42.9 | Very low | 117 Ų | 117 | 117.7 Ų | 117.7 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | trans | -78 | 98.6 | 170.7 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | I599 | I599-T601 HydrophobicContact CG2-CG2 3.83Š| ||
| 602 | D | 29.5 | Very low | 40.3 | Very low | 160 Ų | 160 | 117.5 Ų | 117.5 | 86% | 0.856 | 70% | 0.704 | S | S | * | * | trans | -148.1 | 106.6 | 142.7 | -126.2 | -20.5 | 0 | 0 | 0 | 110.8 | L600 | L600-D602 PolarHBondContact O-N 2.89Š| ||
| 603 | K | 30.3 | Very low | 37.6 | Very low | 197 Ų | 197 | 120.7 Ų | 120.7 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -153 | 115.6 | 176 | -139.8 | 178.9 | -170.1 | 178 | 0 | 109.4 | ||||
| 604 | P | 29.9 | Very low | 35.2 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -73.4 | 147.5 | 176.9 | 30 | -34 | 0 | 0 | 0 | 111.2 | ||||
| 605 | P | 33.7 | Very low | 33 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -93.6 | 136.6 | -173.1 | 34.8 | -34 | 0 | 0 | 0 | 113.9 | ||||
| 606 | V | 33.2 | Very low | 31.6 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -140.7 | 150 | 162.2 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 607 | S | 32.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -83.9 | 166.2 | -163.6 | -46.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 608 | P | 33.5 | Very low | 30.5 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -97 | 141.6 | 176.4 | 36.4 | -33.4 | 0 | 0 | 0 | 115.2 | ||||
| 609 | S | 29.8 | Very low | 30.2 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -171.4 | 112.7 | 166 | 52.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 610 | S | 28 | Very low | 30.3 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | 76.2 | 117.3 | 72.7 | 74 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 611 | G | 26.8 | Very low | 30.4 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 102.5 | 124 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 612 | S | 27 | Very low | 30.5 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | 68.9 | 128.5 | 59.1 | 75 | 0 | 0 | 0 | 0 | 113 | |||||
| 613 | D | 27.1 | Very low | 30.6 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | cis | -160.5 | -156.2 | -3.8 | -124.7 | -85 | 0 | 0 | 0 | 107.9 | ||||
| 614 | E | 31 | Very low | 30.5 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | cis | -161.1 | 130.5 | 13.7 | -148.5 | -174.2 | 174.6 | 0 | 0 | 112.2 | ||||
| 615 | Q | 30.7 | Very low | 30.4 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | trans | 57.8 | 171.6 | 143.2 | -73.7 | 170.9 | 38.2 | 0 | 0 | 121.3 | ||||
| 616 | I | 31.6 | Very low | 30.2 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | cis | -152.6 | 144.4 | -4.4 | -130 | 168.6 | 0 | 0 | 0 | 110.4 | ||||
| 617 | K | 31.5 | Very low | 29.9 | Very low | 180 Ų | 180 | 126 Ų | 126 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | -179.5 | 116.1 | 97.4 | -123.1 | 127.8 | -174.2 | 177.2 | 0 | 107.3 | |||||
| 618 | S | 30.1 | Very low | 29.9 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | 68.1 | 137.4 | 76.5 | 80.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 619 | V | 32.5 | Very low | 30.1 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | cis | -155.2 | 160.2 | 31.8 | 170.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 620 | T | 30.4 | Very low | 30 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | cis | -123.9 | -168.7 | 5 | 14.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 621 | K | 31.3 | Very low | 30.2 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 59% | 0.591 | 72% | 0.717 | S | S | * | * | cis | 79.8 | 154.5 | 16 | -110.8 | -172.3 | 164.4 | -72.2 | 0 | 115.5 | D623 | K621-D623 IonicContact NZ-OD1 2.56Å; K621-D623 IonicContact NZ-OD2 3.79Å; K621-D623 PolarHBondContact NZ-OD2 3.21Å | ||
| 622 | E | 31.1 | Very low | 30.2 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | cis | -140.3 | 159.5 | 0.2 | -53.5 | -163.5 | 108.8 | 0 | 0 | 109.5 | ||||
| 623 | D | 30.9 | Very low | 30.5 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | cis | -170.6 | 142.8 | -28.7 | -103.3 | 8.3 | 0 | 0 | 0 | 112 | K621 | K621-D623 IonicContact NZ-OD1 2.56Å; K621-D623 IonicContact NZ-OD2 3.79Å; K621-D623 PolarHBondContact NZ-OD2 3.21Å | ||
| 624 | L | 29.2 | Very low | 30.6 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | 70.9 | 122.1 | 141.3 | -60.1 | 167.2 | 0 | 0 | 0 | 125.5 | ||||
| 625 | N | 27.5 | Very low | 30.6 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | 45.8 | 158.8 | 120.2 | -51.4 | 1.6 | 0 | 0 | 0 | 121.7 | |||||
| 626 | T | 28.7 | Very low | 30.6 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | cis | -159.4 | 171.3 | 29.9 | -34.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 627 | E | 27.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | trans | -57 | 150.4 | 175.2 | -49.5 | 155.1 | 136 | 0 | 0 | 115.5 | ||||
| 628 | N | 32.5 | Very low | 30.7 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | 179.1 | 157.6 | 106.4 | -98.1 | -78.6 | 0 | 0 | 0 | 112.8 | |||||
| 629 | P | 38.3 | Very low | 31 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -105.3 | 171.6 | -179.6 | 40.4 | -34.6 | 0 | 0 | 0 | 115.4 | ||||
| 630 | D | 27 | Very low | 31 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 92% | 0.92 | 74% | 0.735 | S | S | * | * | trans | 76.4 | 147.2 | 164.7 | -155.8 | 14.2 | 0 | 0 | 0 | 118.5 | ||||
| 631 | G | 31.3 | Very low | 31.3 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | 127.2 | 66.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 632 | G | 27.2 | Very low | 31.9 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | -88.5 | 168.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 633 | I | 34.4 | Very low | 32.7 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -163.7 | 141.3 | 146.3 | -101.2 | 152.4 | 0 | 0 | 0 | 110 | ||||
| 634 | N | 28.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -51.1 | 153.1 | -174.8 | -39.1 | -29.3 | 0 | 0 | 0 | 116.1 | ||||
| 635 | N | 30.1 | Very low | 34.3 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | -167.4 | 144.5 | 102 | -98.4 | -2.9 | 0 | 0 | 0 | 115.2 | |||||
| 636 | D | 32.4 | Very low | 35.4 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 60% | 0.599 | 76% | 0.755 | S | S | * | * | trans | 48.3 | 112 | 150.9 | -70.3 | -51.6 | 0 | 0 | 0 | 123.1 | ||||
| 637 | K | 31.9 | Very low | 36.5 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 70% | 0.7 | 75% | 0.747 | S | S | * | * | 56.6 | 122.1 | 126.6 | -56.4 | -174.3 | -173.2 | 80.1 | 0 | 120.3 | |||||
| 638 | N | 32.4 | Very low | 37.6 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | -149.6 | 159.3 | 92.3 | -96.8 | -13.8 | 0 | 0 | 0 | 110.8 | |||||
| 639 | D | 36.1 | Very low | 38.7 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -91.3 | 147.2 | 172.9 | -50.8 | -85.6 | 0 | 0 | 0 | 110.2 | ||||
| 640 | G | 32.5 | Very low | 39.6 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | trans | 134.5 | 116.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 641 | D | 37.8 | Very low | 41.1 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | trans | 152.8 | 95 | 146.3 | -79 | -2.3 | 0 | 0 | 0 | 108.2 | ||||
| 642 | D | 43 | Very low | 42.6 | Very low | 155 Ų | 155 | 122.6 Ų | 122.6 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | trans | -104.4 | 10.1 | -173.5 | -144.6 | 23.2 | 0 | 0 | 0 | 111.6 | ||||
| 643 | D | 47.3 | Very low | 44.2 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | trans | -102.6 | 4.7 | -163.3 | -56.2 | -56.2 | 0 | 0 | 0 | 114.6 | ||||
| 644 | N | 45 | Very low | 45.8 | Very low | 112 Ų | 112 | 115.6 Ų | 115.6 | 60% | 0.599 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -88.7 | -24.4 | -176.7 | -73 | -79.6 | 0 | 0 | 0 | 114.3 | E646 V647 | N644-E646 VanDerWaalsContact C-N 3.3Å; N644-E646 PolarHBondContact O-N 2.94Å; N644-V647 PolarHBondContact O-N 3.32Å |
| 645 | D | 49.5 | Very low | 47.6 | Very low | 137 Ų | 137 | 113 Ų | 113 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -24 | -172.1 | -87.3 | 10.1 | 0 | 0 | 0 | 113.9 | A649 | D645-A649 PolarHBondContact O-N 3.33Å |
| 646 | E | 50.3 | Low | 49.7 | Very low | 169 Ų | 169 | 107.8 Ų | 107.8 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78.7 | -27.8 | -177.9 | -165.5 | 167.9 | -124.1 | 0 | 0 | 113.1 | N644 A650 | N644-E646 VanDerWaalsContact C-N 3.3Å; N644-E646 PolarHBondContact O-N 2.94Å; E646-A650 PolarHBondContact O-N 3.36Å |
| 647 | V | 52.2 | Low | 51.9 | Low | 92 Ų | 92 | 103.6 Ų | 103.6 | 56% | 0.558 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.9 | -47.2 | -179.7 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | N644 A649 A650 E651 | N644-V647 PolarHBondContact O-N 3.32Å; V647-A649 VanDerWaalsContact C-N 3.27Å; V647-A649 PolarHBondContact O-N 3.26Å; V647-A650 PolarHBondContact O-N 3.48Å; V647-A650 VanDerWaalsContact O-N 3.13Å; V647-E651 PolarHBondContact O-N 3.46Å; V647-E651 VanDerWaalsContact O-N 3.1Å |
| 648 | D | 51.2 | Low | 54.3 | Low | 119 Ų | 119 | 99 Ų | 99 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.6 | -38.6 | 176.2 | -87.6 | 2.1 | 0 | 0 | 0 | 111.2 | A650 E651 D652 | D648-A650 VanDerWaalsContact C-N 3.32Å; D648-A650 PolarHBondContact O-N 3.24Å; D648-E651 PolarHBondContact O-N 3.2Å; D648-D652 PolarHBondContact O-N 3.13Å |
| 649 | A | 55.7 | Low | 56.3 | Low | 61 Ų | 61 | 98.3 Ų | 98.3 | 50% | 0.504 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D645 V647 A653 | D645-A649 PolarHBondContact O-N 3.33Å; V647-A649 VanDerWaalsContact C-N 3.27Å; V647-A649 PolarHBondContact O-N 3.26Å; A649-A653 VanDerWaalsContact O-CB 3.31Å; A649-A653 WeakPolarHBondContact O-CB 3.45Å; A649-A653 PolarHBondContact O-N 3.5Å; A649-A653 VanDerWaalsContact O-N 3.1Å |
| 650 | A | 56.6 | Low | 58.2 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.6 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E646 V647 D648 T654 | E646-A650 PolarHBondContact O-N 3.36Å; V647-A650 PolarHBondContact O-N 3.48Å; V647-A650 VanDerWaalsContact O-N 3.13Å; D648-A650 VanDerWaalsContact C-N 3.32Å; D648-A650 PolarHBondContact O-N 3.24Å; A650-T654 WeakPolarHBondContact O-CG2 3.34Å; A650-T654 PolarHBondContact O-N 3.04Å; A650-T654 PolarHBondContact O-OG1 3.38Å; A650-T654 VanDerWaalsContact O-OG1 3.07Å |
| 651 | E | 59 | Low | 60.5 | Low | 114 Ų | 114 | 94.4 Ų | 94.4 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 173.4 | -72.1 | -147.1 | 174 | 0 | 0 | 112 | V647 D648 A653 T654 Q655 | V647-E651 PolarHBondContact O-N 3.46Å; V647-E651 VanDerWaalsContact O-N 3.1Å; D648-E651 PolarHBondContact O-N 3.2Å; E651-A653 VanDerWaalsContact C-N 3.34Å; E651-A653 PolarHBondContact O-N 3.15Å; E651-T654 WeakPolarHBondContact CA-OG1 3.37Å; E651-T654 PolarHBondContact O-N 3.13Å; E651-T654 PolarHBondContact O-OG1 3.08Å; E651-Q655 WeakPolarHBondContact O-CB 3.47Å; E651-Q655 VanDerWaalsContact O-CG 3.29Å; E651-Q655 WeakPolarHBondContact O-CG 3.48Å; E651-Q655 PolarHBondContact O-N 2.81Å |
| 652 | D | 60.9 | Low | 62.9 | Low | 108 Ų | 108 | 90.3 Ų | 90.3 | 58% | 0.578 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.3 | -30.6 | 179.6 | -140.1 | 15.3 | 0 | 0 | 0 | 111.9 | D648 G656 | D648-D652 PolarHBondContact O-N 3.13Å; D652-G656 WeakPolarHBondContact O-CA 3.32Å; D652-G656 PolarHBondContact O-N 3.45Å |
| 653 | A | 62.5 | Low | 65 | Low | 66 Ų | 66 | 85.1 Ų | 85.1 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A649 E651 G656 L657 | A649-A653 VanDerWaalsContact O-CB 3.31Å; A649-A653 WeakPolarHBondContact O-CB 3.45Å; A649-A653 PolarHBondContact O-N 3.5Å; A649-A653 VanDerWaalsContact O-N 3.1Å; E651-A653 VanDerWaalsContact C-N 3.34Å; E651-A653 PolarHBondContact O-N 3.15Å; A653-G656 PolarHBondContact O-N 3.21Å; A653-L657 PolarHBondContact O-N 3.1Å |
| 654 | T | 66.7 | Low | 66.9 | Low | 24 Ų | 24 | 82.4 Ų | 82.4 | 15% | 0.147 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 176.7 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | A650 E651 G656 L657 F658 P700 | A650-T654 WeakPolarHBondContact O-CG2 3.34Å; A650-T654 PolarHBondContact O-N 3.04Å; A650-T654 PolarHBondContact O-OG1 3.38Å; A650-T654 VanDerWaalsContact O-OG1 3.07Å; E651-T654 WeakPolarHBondContact CA-OG1 3.37Å; E651-T654 PolarHBondContact O-N 3.13Å; E651-T654 PolarHBondContact O-OG1 3.08Å; T654-G656 VanDerWaalsContact C-N 3.28Å; T654-G656 PolarHBondContact O-N 3.31Å; T654-L657 PolarHBondContact O-N 3.02Å; T654-F658 WeakPolarHBondContact O-CG 3.46Å; T654-F658 PolarHBondContact O-N 3.41Å; T654-F658 VanDerWaalsContact O-N 3.09Å; T654-P700 HydrophobicContact CG2-CB 3.96Å; T654-P700 HydrophobicContact CG2-CG 4.07Å |
| 655 | Q | 67.8 | Low | 69.1 | Low | 82 Ų | 82 | 77.2 Ų | 77.2 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 171.5 | -73.2 | -170.9 | 44.8 | 0 | 0 | 112.3 | E651 F658 K659 | E651-Q655 WeakPolarHBondContact O-CB 3.47Å; E651-Q655 VanDerWaalsContact O-CG 3.29Å; E651-Q655 WeakPolarHBondContact O-CG 3.48Å; E651-Q655 PolarHBondContact O-N 2.81Å; Q655-F658 PolarHBondContact O-N 3.41Å; Q655-K659 HydrophobicContact CB-CD 4.49Å; Q655-K659 VanDerWaalsContact O-CB 3.31Å; Q655-K659 WeakPolarHBondContact O-CB 3.34Å; Q655-K659 VanDerWaalsContact O-CD 3.31Å; Q655-K659 WeakPolarHBondContact O-CD 3.27Å; Q655-K659 WeakPolarHBondContact O-CG 3.27Å; Q655-K659 PolarHBondContact O-N 2.89Å |
| 656 | G | 73.7 | Confident | 71.2 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D652 A653 T654 K659 R660 | D652-G656 WeakPolarHBondContact O-CA 3.32Å; D652-G656 PolarHBondContact O-N 3.45Å; A653-G656 PolarHBondContact O-N 3.21Å; T654-G656 VanDerWaalsContact C-N 3.28Å; T654-G656 PolarHBondContact O-N 3.31Å; G656-K659 PolarHBondContact O-N 3.29Å; G656-R660 WeakPolarHBondContact O-CB 3.35Å; G656-R660 PolarHBondContact O-N 3.48Å; G656-R660 VanDerWaalsContact O-N 3.14Å |
| 657 | L | 78.8 | Confident | 73.2 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 175 | -177.4 | 69.9 | 0 | 0 | 0 | 111.7 | A653 T654 K659 R660 C661 L666 L697 P700 | A653-L657 PolarHBondContact O-N 3.1Å; T654-L657 PolarHBondContact O-N 3.02Å; L657-K659 PolarHBondContact O-N 3.3Å; L657-R660 PolarHBondContact O-N 2.89Å; L657-R660 VanDerWaalsContact O-N 3.14Å; L657-C661 PolarHBondContact O-N 3.34Å; L657-L666 HydrophobicContact CD1-CD2 4.2Å; L657-L666 HydrophobicContact CD2-CD2 4.07Å; L657-L666 HydrophobicContact CG-CD2 4.03Å; L657-L697 HydrophobicContact CD2-CD1 4.44Å; L657-P700 HydrophobicContact CD2-CB 3.61Å; L657-P700 HydrophobicContact CD2-CG 4.18Å |
| 658 | F | 81.7 | Confident | 75.2 | Confident | 64 Ų | 64 | 61 Ų | 61 | 28% | 0.281 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.4 | -28.8 | -179.5 | -64.2 | -15.1 | 0 | 0 | 0 | 113.9 | T654 Q655 R660 L666 P700 H704 | T654-F658 WeakPolarHBondContact O-CG 3.46Å; T654-F658 PolarHBondContact O-N 3.41Å; T654-F658 VanDerWaalsContact O-N 3.09Å; Q655-F658 PolarHBondContact O-N 3.41Å; F658-R660 VanDerWaalsContact C-N 3.3Å; F658-L666 HydrophobicContact CD1-CD1 3.92Å; F658-L666 HydrophobicContact CE1-CD1 4.23Å; F658-P700 VanDerWaalsContact CZ-O 3.22Å; F658-P700 WeakPolarHBondContact CZ-O 3.38Å; F658-H704 AromaticContact CD1-CD2 3.84Å; F658-H704 HydrophobicContact CE1-CB 4Å; F658-H704 AromaticContact CE1-CD2 3.76Å; F658-H704 HydrophobicContact CZ-CB 3.84Å |
| 659 | K | 74.9 | Confident | 77.2 | Confident | 144 Ų | 144 | 55.4 Ų | 55.4 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73.8 | -22.9 | 171.8 | -71.7 | 160.6 | -168.3 | 160.9 | 0 | 112 | Q655 G656 L657 | Q655-K659 HydrophobicContact CB-CD 4.49Å; Q655-K659 VanDerWaalsContact O-CB 3.31Å; Q655-K659 WeakPolarHBondContact O-CB 3.34Å; Q655-K659 VanDerWaalsContact O-CD 3.31Å; Q655-K659 WeakPolarHBondContact O-CD 3.27Å; Q655-K659 WeakPolarHBondContact O-CG 3.27Å; Q655-K659 PolarHBondContact O-N 2.89Å; G656-K659 PolarHBondContact O-N 3.29Å; L657-K659 PolarHBondContact O-N 3.3Å |
| 660 | R | 74.6 | Confident | 79.1 | Confident | 138 Ų | 138 | 52.5 Ų | 52.5 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -93.3 | -44.6 | -176 | -171.5 | -178.7 | -163.3 | 172.5 | 0.3 | 113.8 | C496 D497 G656 L657 F658 | C496-R660 PolarHBondContact O-NE 3.02Å; D497-R660 IonicContact OD1-CZ 3.98Å; D497-R660 IonicContact OD1-NE 2.83Å; D497-R660 IonicContact OD1-NH1 2.68Å; D497-R660 PolarHBondContact OD1-NH1 3.26Å; D497-R660 IonicContact OD1-NH2 3.23Å; D497-R660 IonicContact OD2-CZ 2.61Å; D497-R660 IonicContact OD2-NH1 3.5Å; D497-R660 PolarHBondContact OD2-NH1 3.38Å; D497-R660 IonicContact OD2-NH2 3.02Å; D497-R660 PolarHBondContact OD2-NH2 3.2Å; G656-R660 WeakPolarHBondContact O-CB 3.35Å; G656-R660 PolarHBondContact O-N 3.48Å; G656-R660 VanDerWaalsContact O-N 3.14Å; L657-R660 PolarHBondContact O-N 2.89Å; L657-R660 VanDerWaalsContact O-N 3.14Å; F658-R660 VanDerWaalsContact C-N 3.3Å |
| 661 | C | 82.2 | Confident | 80.9 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.054 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -104.8 | 137.8 | -172.3 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | L657 V665 L666 | L657-C661 PolarHBondContact O-N 3.34Å; C661-V665 HydrophobicContact CB-CB 4.43Å; C661-V665 HydrophobicContact CB-CG1 3.98Å; C661-L666 HydrophobicContact CB-CD1 4.33Å; C661-L666 HydrophobicContact CB-CD2 3.65Å; C661-L666 HydrophobicContact CB-CG 3.71Å |
| 662 | S | 86.8 | Confident | 82.6 | Confident | 54 Ų | 54 | 46 Ų | 46 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | trans | -71.9 | 157.6 | 168.6 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | S664 V665 L666 | S662-S664 PolarHBondContact O-N 3.46Å; S662-S664 PolarHBondContact OG-OG 3.2Å; S662-V665 WeakPolarHBondContact O-CA 3.22Å; S662-V665 WeakPolarHBondContact O-CB 3.43Å; S662-V665 PolarHBondContact O-N 2.92Å; S662-V665 WeakPolarHBondContact OG-CG2 3.32Å; S662-V665 PolarHBondContact OG-N 3.37Å; S662-L666 PolarHBondContact O-N 3.45Å | ||
| 663 | S | 88 | Confident | 84.2 | Confident | 45 Ų | 45 | 41 Ų | 41 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54.6 | -36.7 | 173.7 | -36.7 | 0 | 0 | 0 | 0 | 112.3 | L666 F667 H704 V709 | S663-L666 PolarHBondContact O-N 3.29Å; S663-F667 VanDerWaalsContact O-CB 3.24Å; S663-F667 WeakPolarHBondContact O-CB 3.47Å; S663-F667 PolarHBondContact O-N 3.03Å; S663-H704 PolarHBondContact OG-CE1 2.99Å; S663-V709 VanDerWaalsContact O-CG2 3.32Å; S663-V709 WeakPolarHBondContact O-CG2 3.19Å |
| 664 | S | 87.1 | Confident | 85.7 | Confident | 79 Ų | 79 | 38 Ų | 38 | 55% | 0.552 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -66.1 | -36 | 175 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | S662 K668 | S662-S664 PolarHBondContact O-N 3.46Å; S662-S664 PolarHBondContact OG-OG 3.2Å; S664-K668 WeakPolarHBondContact O-CB 3.47Å; S664-K668 PolarHBondContact O-N 3.16Å |
| 665 | V | 91.4 | Very high | 87 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -47 | 174.4 | 164.6 | 0 | 0 | 0 | 0 | 110.4 | Q460 L495 C661 S662 F667 K668 A669 | Q460-V665 HydrophobicContact CB-CG2 3.93Å; Q460-V665 HydrophobicContact CG-CG2 3.68Å; L495-V665 HydrophobicContact CG-CG1 4.18Å; C661-V665 HydrophobicContact CB-CB 4.43Å; C661-V665 HydrophobicContact CB-CG1 3.98Å; S662-V665 WeakPolarHBondContact O-CA 3.22Å; S662-V665 WeakPolarHBondContact O-CB 3.43Å; S662-V665 PolarHBondContact O-N 2.92Å; S662-V665 WeakPolarHBondContact OG-CG2 3.32Å; S662-V665 PolarHBondContact OG-N 3.37Å; V665-F667 VanDerWaalsContact C-N 3.34Å; V665-F667 PolarHBondContact O-N 2.84Å; V665-K668 PolarHBondContact O-N 2.86Å; V665-A669 WeakPolarHBondContact O-CB 3.39Å; V665-A669 PolarHBondContact O-N 2.78Å |
| 666 | L | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 176 | -66.2 | 175.3 | 0 | 0 | 0 | 111.9 | L657 F658 C661 S662 S663 A669 N670 L697 V709 | L657-L666 HydrophobicContact CD1-CD2 4.2Å; L657-L666 HydrophobicContact CD2-CD2 4.07Å; L657-L666 HydrophobicContact CG-CD2 4.03Å; F658-L666 HydrophobicContact CD1-CD1 3.92Å; F658-L666 HydrophobicContact CE1-CD1 4.23Å; C661-L666 HydrophobicContact CB-CD1 4.33Å; C661-L666 HydrophobicContact CB-CD2 3.65Å; C661-L666 HydrophobicContact CB-CG 3.71Å; S662-L666 PolarHBondContact O-N 3.45Å; S663-L666 PolarHBondContact O-N 3.29Å; L666-A669 PolarHBondContact O-N 3.23Å; L666-N670 WeakPolarHBondContact O-CB 3.48Å; L666-N670 PolarHBondContact O-N 2.97Å; L666-N670 PolarHBondContact O-ND2 3.48Å; L666-L697 HydrophobicContact CD2-CD1 3.84Å; L666-V709 HydrophobicContact CB-CG1 3.91Å; L666-V709 HydrophobicContact CB-CG2 4.35Å |
| 667 | F | 92.6 | Very high | 89 | Confident | 54 Ų | 54 | 33 Ų | 33 | 24% | 0.237 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 173.2 | 177.9 | -94 | 0 | 0 | 0 | 111.6 | S663 V665 A669 K671 A708 V709 Q712 | S663-F667 VanDerWaalsContact O-CB 3.24Å; S663-F667 WeakPolarHBondContact O-CB 3.47Å; S663-F667 PolarHBondContact O-N 3.03Å; V665-F667 VanDerWaalsContact C-N 3.34Å; V665-F667 PolarHBondContact O-N 2.84Å; F667-A669 PolarHBondContact O-N 3.26Å; F667-K671 HydrophobicContact CE1-CD 3.89Å; F667-K671 HydrophobicContact CZ-CD 4.15Å; F667-K671 WeakPolarHBondContact O-CB 3.32Å; F667-K671 PolarHBondContact O-N 3.43Å; F667-A708 HydrophobicContact CD2-CB 4.02Å; F667-A708 HydrophobicContact CE2-CB 4.1Å; F667-V709 HydrophobicContact CB-CG2 4.16Å; F667-Q712 HydrophobicContact CD2-CG 3.64Å; F667-Q712 HydrophobicContact CE2-CG 3.45Å; F667-Q712 VanDerWaalsContact CE2-CG 3.45Å; F667-Q712 HydrophobicContact CZ-CG 4.26Å |
| 668 | K | 93.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.4 | -176.1 | 174.2 | 178.6 | 179.6 | 0 | 111.2 | W456 I457 S459 V462 L495 S664 V665 K671 M672 | W456-K668 PolarHBondContact O-NZ 3.39Å; W456-K668 VanDerWaalsContact O-NZ 3.09Å; I457-K668 WeakPolarHBondContact O-CE 3.5Å; I457-K668 PolarHBondContact O-NZ 3.3Å; S459-K668 PolarHBondContact O-NZ 3.38Å; V462-K668 PolarHBondContact O-NZ 2.8Å; L495-K668 HydrophobicContact CD1-CD 4.23Å; L495-K668 HydrophobicContact CD2-CB 4.14Å; L495-K668 HydrophobicContact CD2-CD 3.88Å; L495-K668 HydrophobicContact CD2-CG 3.77Å; S664-K668 WeakPolarHBondContact O-CB 3.47Å; S664-K668 PolarHBondContact O-N 3.16Å; V665-K668 PolarHBondContact O-N 2.86Å; K668-K671 PolarHBondContact O-N 2.87Å; K668-M672 HydrophobicContact CG-SD 3.97Å; K668-M672 WeakPolarHBondContact O-CB 3.44Å; K668-M672 WeakPolarHBondContact O-CG 3.47Å; K668-M672 PolarHBondContact O-N 2.86Å |
| 669 | A | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -50 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I492 L495 V665 L666 F667 K671 M672 A673 L697 | I492-A669 HydrophobicContact CG2-CB 4.21Å; L495-A669 HydrophobicContact CD2-CB 4.29Å; V665-A669 WeakPolarHBondContact O-CB 3.39Å; V665-A669 PolarHBondContact O-N 2.78Å; L666-A669 PolarHBondContact O-N 3.23Å; F667-A669 PolarHBondContact O-N 3.26Å; A669-K671 PolarHBondContact O-N 3.07Å; A669-M672 WeakPolarHBondContact O-CB 3.48Å; A669-M672 PolarHBondContact O-N 3.16Å; A669-A673 PolarHBondContact O-N 3.32Å; A669-L697 HydrophobicContact CB-CD1 4.15Å; A669-L697 HydrophobicContact CB-CD2 3.76Å |
| 670 | N | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.8 | -77.5 | -87.3 | 0 | 0 | 0 | 111.7 | L666 M672 A673 A674 S701 Q712 | L666-N670 WeakPolarHBondContact O-CB 3.48Å; L666-N670 PolarHBondContact O-N 2.97Å; L666-N670 PolarHBondContact O-ND2 3.48Å; N670-M672 VanDerWaalsContact C-N 3.32Å; N670-M672 PolarHBondContact O-N 2.99Å; N670-A673 WeakPolarHBondContact O-CB 3.37Å; N670-A673 PolarHBondContact O-N 3.46Å; N670-A674 PolarHBondContact O-N 3.19Å; N670-S701 VanDerWaalsContact ND2-CB 3.33Å; N670-S701 WeakPolarHBondContact ND2-CB 3.46Å; N670-S701 PolarHBondContact ND2-OG 3.39Å; N670-Q712 HydrophobicContact CB-CB 3.81Å |
| 671 | K | 94.2 | Very high | 90.9 | Very high | 34 Ų | 34 | 27.7 Ų | 27.7 | 15% | 0.148 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 175.5 | -174.7 | 177.9 | 172.8 | -168.7 | 0 | 111.6 | G464 T465 F667 K668 A669 L675 Q712 | G464-K671 WeakPolarHBondContact O-CD 3.22Å; G464-K671 WeakPolarHBondContact O-CE 3.36Å; G464-K671 PolarHBondContact O-NZ 3.41Å; T465-K671 PolarHBondContact O-NZ 2.98Å; T465-K671 VanDerWaalsContact O-NZ 3.08Å; F667-K671 HydrophobicContact CE1-CD 3.89Å; F667-K671 HydrophobicContact CZ-CD 4.15Å; F667-K671 WeakPolarHBondContact O-CB 3.32Å; F667-K671 PolarHBondContact O-N 3.43Å; K668-K671 PolarHBondContact O-N 2.87Å; A669-K671 PolarHBondContact O-N 3.07Å; K671-L675 HydrophobicContact CG-CD1 3.88Å; K671-L675 HydrophobicContact CG-CG 4.43Å; K671-L675 VanDerWaalsContact O-CB 3.3Å; K671-L675 WeakPolarHBondContact O-CB 3.24Å; K671-L675 WeakPolarHBondContact O-CD1 3.14Å; K671-L675 WeakPolarHBondContact O-CG 3.29Å; K671-L675 PolarHBondContact O-N 3.49Å; K671-Q712 HydrophobicContact CB-CG 4.42Å |
| 672 | M | 95 | Very high | 91 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 172.8 | -74.1 | 165.8 | 56.2 | 0 | 0 | 112.2 | I457 A467 L471 V488 M491 I492 L495 K668 A669 N670 L675 I676 | I457-M672 HydrophobicContact CG2-CE 3.19Å; I457-M672 HydrophobicContact CG2-SD 3.84Å; A467-M672 HydrophobicContact CB-CG 4.25Å; L471-M672 HydrophobicContact CD1-CB 4.19Å; L471-M672 HydrophobicContact CD1-CG 4.07Å; V488-M672 HydrophobicContact CG1-CE 4.47Å; M491-M672 HydrophobicContact CB-CE 4.31Å; I492-M672 HydrophobicContact CD1-CB 4.07Å; I492-M672 HydrophobicContact CG1-CB 4.08Å; I492-M672 HydrophobicContact CG1-CE 3.64Å; L495-M672 HydrophobicContact CD2-SD 3.89Å; K668-M672 HydrophobicContact CG-SD 3.97Å; K668-M672 WeakPolarHBondContact O-CB 3.44Å; K668-M672 WeakPolarHBondContact O-CG 3.47Å; K668-M672 PolarHBondContact O-N 2.86Å; A669-M672 WeakPolarHBondContact O-CB 3.48Å; A669-M672 PolarHBondContact O-N 3.16Å; N670-M672 VanDerWaalsContact C-N 3.32Å; N670-M672 PolarHBondContact O-N 2.99Å; M672-L675 PolarHBondContact O-N 3.17Å; M672-I676 WeakPolarHBondContact O-CG2 3.34Å; M672-I676 PolarHBondContact O-N 3.32Å |
| 673 | A | 94.2 | Very high | 91 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I492 A669 N670 I676 I677 | I492-A673 HydrophobicContact CD1-CB 4.11Å; A669-A673 PolarHBondContact O-N 3.32Å; N670-A673 WeakPolarHBondContact O-CB 3.37Å; N670-A673 PolarHBondContact O-N 3.46Å; A673-I676 WeakPolarHBondContact O-CG2 3.41Å; A673-I677 WeakPolarHBondContact O-CG1 3.4Å |
| 674 | A | 94.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N670 I676 I677 Q678 L715 A716 L719 | N670-A674 PolarHBondContact O-N 3.19Å; A674-I676 PolarHBondContact O-N 3.03Å; A674-I677 PolarHBondContact O-N 3.21Å; A674-Q678 WeakPolarHBondContact O-CG 3.38Å; A674-Q678 PolarHBondContact O-N 3.34Å; A674-L715 HydrophobicContact CB-CD2 4.44Å; A674-L715 HydrophobicContact CB-CG 4.42Å; A674-A716 HydrophobicContact CB-CB 4.35Å; A674-L719 HydrophobicContact CB-CD1 3.66Å |
| 675 | L | 93.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | -177.4 | -76.8 | 166.3 | 0 | 0 | 0 | 113.3 | A467 P468 L471 K671 M672 I677 Q678 Q679 | A467-L675 HydrophobicContact CB-CD1 4.12Å; P468-L675 HydrophobicContact CB-CD1 4.24Å; P468-L675 HydrophobicContact CB-CD2 4.21Å; P468-L675 HydrophobicContact CG-CD1 3.88Å; P468-L675 HydrophobicContact CG-CD2 4.29Å; L471-L675 HydrophobicContact CD1-CB 3.62Å; L471-L675 HydrophobicContact CD1-CD1 3.99Å; L471-L675 HydrophobicContact CD1-CG 4.48Å; K671-L675 HydrophobicContact CG-CD1 3.88Å; K671-L675 HydrophobicContact CG-CG 4.43Å; K671-L675 VanDerWaalsContact O-CB 3.3Å; K671-L675 WeakPolarHBondContact O-CB 3.24Å; K671-L675 WeakPolarHBondContact O-CD1 3.14Å; K671-L675 WeakPolarHBondContact O-CG 3.29Å; K671-L675 PolarHBondContact O-N 3.49Å; M672-L675 PolarHBondContact O-N 3.17Å; L675-I677 VanDerWaalsContact C-N 3.3Å; L675-I677 PolarHBondContact O-N 2.98Å; L675-Q678 PolarHBondContact O-N 3.3Å; L675-Q679 WeakPolarHBondContact O-CB 3.24Å; L675-Q679 VanDerWaalsContact O-CG 3.26Å; L675-Q679 WeakPolarHBondContact O-CG 3.44Å; L675-Q679 PolarHBondContact O-N 2.96Å |
| 676 | I | 92.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -30.9 | 179.3 | -171.9 | 56.4 | 0 | 0 | 0 | 112.1 | R484 I485 V488 M672 A673 A674 S680 L690 | R484-I676 HydrophobicContact CG-CD1 3.98Å; I485-I676 HydrophobicContact CG1-CD1 4.4Å; I485-I676 HydrophobicContact CG1-CG1 4.05Å; V488-I676 HydrophobicContact CB-CG1 4.25Å; V488-I676 HydrophobicContact CG1-CB 4.05Å; V488-I676 HydrophobicContact CG1-CG1 4.3Å; V488-I676 HydrophobicContact CG1-CG2 4.18Å; V488-I676 HydrophobicContact CG2-CD1 4.13Å; V488-I676 HydrophobicContact CG2-CG1 4.36Å; M672-I676 WeakPolarHBondContact O-CG2 3.34Å; M672-I676 PolarHBondContact O-N 3.32Å; A673-I676 WeakPolarHBondContact O-CG2 3.41Å; A674-I676 PolarHBondContact O-N 3.03Å; I676-S680 VanDerWaalsContact O-CB 3.3Å; I676-S680 WeakPolarHBondContact O-CB 3.24Å; I676-S680 PolarHBondContact O-OG 2.88Å; I676-L690 HydrophobicContact CG2-CD2 4.3Å |
| 677 | I | 92 | Very high | 90.6 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.1 | -50.6 | 171.9 | -58.4 | 166.5 | 0 | 0 | 0 | 109.9 | A673 A674 L675 Q679 S680 L690 L719 M723 | A673-I677 WeakPolarHBondContact O-CG1 3.4Å; A674-I677 PolarHBondContact O-N 3.21Å; L675-I677 VanDerWaalsContact C-N 3.3Å; L675-I677 PolarHBondContact O-N 2.98Å; I677-Q679 VanDerWaalsContact C-N 3.27Å; I677-Q679 PolarHBondContact O-N 3.43Å; I677-S680 WeakPolarHBondContact O-CB 3.24Å; I677-S680 PolarHBondContact O-N 3.49Å; I677-L690 HydrophobicContact CD1-CD1 4.35Å; I677-L690 HydrophobicContact CG1-CD1 3.88Å; I677-L719 HydrophobicContact CB-CB 4.33Å; I677-L719 HydrophobicContact CD1-CB 3.87Å; I677-L719 HydrophobicContact CG2-CB 4.07Å; I677-L719 HydrophobicContact CG2-CD2 4.44Å; I677-M723 HydrophobicContact CD1-CE 3.85Å; I677-M723 HydrophobicContact CG1-CE 3.94Å; I677-M723 HydrophobicContact CG2-CE 3.76Å; I677-M723 HydrophobicContact CG2-SD 4.04Å |
| 678 | Q | 91.6 | Very high | 90.4 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 49% | 0.486 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.5 | -32.8 | -179.8 | -72.2 | 177 | -9.6 | 0 | 0 | 113.8 | A674 L675 S680 L719 | A674-Q678 WeakPolarHBondContact O-CG 3.38Å; A674-Q678 PolarHBondContact O-N 3.34Å; L675-Q678 PolarHBondContact O-N 3.3Å; Q678-S680 PolarHBondContact O-N 3.16Å; Q678-L719 HydrophobicContact CG-CD1 3.85Å; Q678-L719 HydrophobicContact CG-CD2 4Å |
| 679 | Q | 87.6 | Confident | 90 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5 | 177 | -67.1 | 179.3 | 30.3 | 0 | 0 | 113.7 | L471 L675 I677 P681 | L471-Q679 PolarHBondContact O-OE1 2.89Å; L675-Q679 WeakPolarHBondContact O-CB 3.24Å; L675-Q679 VanDerWaalsContact O-CG 3.26Å; L675-Q679 WeakPolarHBondContact O-CG 3.44Å; L675-Q679 PolarHBondContact O-N 2.96Å; I677-Q679 VanDerWaalsContact C-N 3.27Å; I677-Q679 PolarHBondContact O-N 3.43Å; Q679-P681 VanDerWaalsContact C-CD 3.46Å; Q679-P681 WeakPolarHBondContact O-CD 3.45Å |
| 680 | S | 89 | Confident | 89.7 | Confident | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | trans | -123.3 | 65 | -172.1 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | L481 I676 I677 Q678 T682 L683 | L481-S680 WeakPolarHBondContact CD1-OG 3.42Å; I676-S680 VanDerWaalsContact O-CB 3.3Å; I676-S680 WeakPolarHBondContact O-CB 3.24Å; I676-S680 PolarHBondContact O-OG 2.88Å; I677-S680 WeakPolarHBondContact O-CB 3.24Å; I677-S680 PolarHBondContact O-N 3.49Å; Q678-S680 PolarHBondContact O-N 3.16Å; S680-T682 PolarHBondContact O-N 3.07Å; S680-L683 VanDerWaalsContact O-CB 3.28Å; S680-L683 WeakPolarHBondContact O-CB 3.45Å; S680-L683 PolarHBondContact O-N 2.98Å | ||
| 681 | P | 81.1 | Confident | 89.5 | Confident | 108 Ų | 108 | 48 Ų | 48 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 3.4 | -174.4 | 30.3 | -38.3 | 0 | 0 | 0 | 115.4 | Q679 | Q679-P681 VanDerWaalsContact C-CD 3.46Å; Q679-P681 WeakPolarHBondContact O-CD 3.45Å |
| 682 | T | 85 | Confident | 89.3 | Confident | 92 Ų | 92 | 49.5 Ų | 49.5 | 56% | 0.564 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 9.7 | 174.1 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | S680 W684 | S680-T682 PolarHBondContact O-N 3.07Å; T682-W684 PolarHBondContact O-N 3.09Å; T682-W684 PolarHBondContact O-NE1 2.9Å |
| 683 | L | 85.4 | Confident | 89.1 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | trans | -89.2 | 93.6 | 176.9 | -170.2 | 64.8 | 0 | 0 | 0 | 110.1 | I485 S680 P687 L690 M723 | I485-L683 HydrophobicContact CD1-CD1 3.79Å; I485-L683 HydrophobicContact CD1-CD2 3.91Å; I485-L683 HydrophobicContact CD1-CG 4.47Å; S680-L683 VanDerWaalsContact O-CB 3.28Å; S680-L683 WeakPolarHBondContact O-CB 3.45Å; S680-L683 PolarHBondContact O-N 2.98Å; L683-P687 HydrophobicContact CD1-CG 3.85Å; L683-P687 HydrophobicContact CD2-CG 4.49Å; L683-L690 HydrophobicContact CD2-CD1 4.2Å; L683-M723 HydrophobicContact CB-SD 4.27Å; L683-M723 HydrophobicContact CD2-CE 4.21Å; L683-M723 HydrophobicContact CD2-SD 3.56Å; L683-M723 VanDerWaalsContact CD2-SD 3.56Å; L683-M723 HydrophobicContact CG-SD 3.59Å; L683-M723 VanDerWaalsContact CG-SD 3.59Å | ||
| 684 | W | 83.7 | Confident | 89 | Confident | 213 Ų | 213 | 49.6 Ų | 49.6 | 81% | 0.807 | 28% | 0.275 | S | S | * | . | trans | -93.6 | -3 | -174.1 | -54.5 | 105.7 | 0 | 0 | 0 | 114.8 | T682 | T682-W684 PolarHBondContact O-N 3.09Å; T682-W684 PolarHBondContact O-NE1 2.9Å | ||
| 685 | S | 89.7 | Confident | 88.7 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -152.5 | 146.2 | 178.1 | 58.5 | 0 | 0 | 0 | 0 | 111 | P687 | S685-P687 WeakPolarHBondContact O-CD 3.48Š|
| 686 | L | 89.7 | Confident | 88.5 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | trans | -67 | 116.2 | -177.8 | -176.8 | 65 | 0 | 0 | 0 | 111 | L690 R691 L694 C720 M723 D724 L727 | L686-L690 HydrophobicContact CD1-CB 3.67Å; L686-L690 HydrophobicContact CD1-CD1 4.49Å; L686-R691 HydrophobicContact CD2-CB 3.87Å; L686-R691 HydrophobicContact CD2-CG 3.97Å; L686-R691 HydrophobicContact CG-CB 4.13Å; L686-L694 HydrophobicContact CD2-CD1 3.87Å; L686-C720 HydrophobicContact CD1-CB 4.21Å; L686-M723 HydrophobicContact CB-CB 4.28Å; L686-M723 HydrophobicContact CD1-CE 3.8Å; L686-D724 HydrophobicContact CB-CB 4.09Å; L686-D724 HydrophobicContact CD2-CB 4.12Å; L686-L727 HydrophobicContact CD2-CD2 4.11Å | ||
| 687 | P | 88.8 | Confident | 88.5 | Confident | 31 Ų | 31 | 57 Ų | 57 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | trans | -65.6 | 143.6 | 173.6 | -20.1 | 33.7 | 0 | 0 | 0 | 111.2 | I485 L683 S685 S689 L690 R691 | I485-P687 HydrophobicContact CD1-CG 4.34Å; I485-P687 HydrophobicContact CG2-CG 4.38Å; L683-P687 HydrophobicContact CD1-CG 3.85Å; L683-P687 HydrophobicContact CD2-CG 4.49Å; S685-P687 WeakPolarHBondContact O-CD 3.48Å; P687-S689 PolarHBondContact O-N 2.91Å; P687-S689 VanDerWaalsContact O-N 3.07Å; P687-L690 HydrophobicContact CG-CD1 4.31Å; P687-L690 PolarHBondContact O-N 2.87Å; P687-R691 PolarHBondContact O-N 3.1Å | ||
| 688 | A | 88.5 | Confident | 88.6 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.2 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R691 S692 | A688-R691 PolarHBondContact O-N 3.01Å; A688-S692 PolarHBondContact O-N 3.44Å; A688-S692 PolarHBondContact O-OG 2.87Å |
| 689 | S | 86.1 | Confident | 88.7 | Confident | 32 Ų | 32 | 53 Ų | 53 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.6 | -31.8 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | N486 I489 P687 S692 | N486-S689 PolarHBondContact OD1-OG 3.17Å; I489-S689 WeakPolarHBondContact CD1-OG 3.36Å; P687-S689 PolarHBondContact O-N 2.91Å; P687-S689 VanDerWaalsContact O-N 3.07Å; S689-S692 WeakPolarHBondContact CA-OG 3.18Å; S689-S692 PolarHBondContact O-OG 2.95Å |
| 690 | L | 87.8 | Confident | 89 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.3 | -31.7 | 166.8 | -75.1 | -177.5 | 0 | 0 | 0 | 111 | I485 I489 I676 I677 L683 L686 P687 S692 L693 | I485-L690 HydrophobicContact CG2-CD1 4.39Å; I485-L690 HydrophobicContact CG2-CG 4.08Å; I489-L690 HydrophobicContact CD1-CD2 3.7Å; I489-L690 HydrophobicContact CD1-CG 3.94Å; I489-L690 HydrophobicContact CG1-CD2 3.83Å; I676-L690 HydrophobicContact CG2-CD2 4.3Å; I677-L690 HydrophobicContact CD1-CD1 4.35Å; I677-L690 HydrophobicContact CG1-CD1 3.88Å; L683-L690 HydrophobicContact CD2-CD1 4.2Å; L686-L690 HydrophobicContact CD1-CB 3.67Å; L686-L690 HydrophobicContact CD1-CD1 4.49Å; P687-L690 HydrophobicContact CG-CD1 4.31Å; P687-L690 PolarHBondContact O-N 2.87Å; L690-S692 VanDerWaalsContact C-N 3.34Å; L690-S692 PolarHBondContact O-N 2.67Å; L690-L693 HydrophobicContact CD2-CD1 4.26Å; L690-L693 WeakPolarHBondContact O-CB 3.29Å; L690-L693 PolarHBondContact O-N 3.44Å; L690-L693 VanDerWaalsContact O-N 3.08Å |
| 691 | R | 90.2 | Very high | 89.3 | Confident | 85 Ų | 85 | 51.2 Ų | 51.2 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 176.6 | -166.9 | 161.7 | 177.6 | 113.5 | 12.7 | 111.8 | L686 P687 A688 L693 L694 D724 | L686-R691 HydrophobicContact CD2-CB 3.87Å; L686-R691 HydrophobicContact CD2-CG 3.97Å; L686-R691 HydrophobicContact CG-CB 4.13Å; P687-R691 PolarHBondContact O-N 3.1Å; A688-R691 PolarHBondContact O-N 3.01Å; R691-L693 PolarHBondContact O-N 3.4Å; R691-L694 HydrophobicContact CG-CD1 4.22Å; R691-L694 WeakPolarHBondContact O-CB 3.47Å; R691-L694 PolarHBondContact O-N 2.69Å; R691-D724 IonicContact CZ-OD2 2.73Å; R691-D724 IonicContact NH1-OD1 3.73Å; R691-D724 IonicContact NH1-OD2 2.78Å; R691-D724 PolarHBondContact NH1-OD2 3.1Å |
| 692 | S | 89.1 | Confident | 89.8 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -18.8 | 172 | 45 | 0 | 0 | 0 | 0 | 115 | A688 S689 L690 S696 | A688-S692 PolarHBondContact O-N 3.44Å; A688-S692 PolarHBondContact O-OG 2.87Å; S689-S692 WeakPolarHBondContact CA-OG 3.18Å; S689-S692 PolarHBondContact O-OG 2.95Å; L690-S692 VanDerWaalsContact C-N 3.34Å; L690-S692 PolarHBondContact O-N 2.67Å; S692-S696 WeakPolarHBondContact O-CB 3.04Å; S692-S696 PolarHBondContact O-N 2.87Å; S692-S696 PolarHBondContact O-OG 2.88Å |
| 693 | L | 91.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.7 | -15.5 | 172.3 | -81.4 | 177.7 | 0 | 0 | 0 | 113.5 | I489 I492 L690 R691 L697 I698 | I489-L693 HydrophobicContact CB-CD1 4.34Å; I489-L693 HydrophobicContact CG1-CD1 3.84Å; I489-L693 HydrophobicContact CG2-CD1 4.05Å; I489-L693 HydrophobicContact CG2-CG 4.22Å; I492-L693 HydrophobicContact CD1-CD1 3.76Å; I492-L693 HydrophobicContact CG2-CD1 4.29Å; I492-L693 HydrophobicContact CG2-CD2 3.72Å; L690-L693 HydrophobicContact CD2-CD1 4.26Å; L690-L693 WeakPolarHBondContact O-CB 3.29Å; L690-L693 PolarHBondContact O-N 3.44Å; L690-L693 VanDerWaalsContact O-N 3.08Å; R691-L693 PolarHBondContact O-N 3.4Å; L693-L697 HydrophobicContact CD2-CB 4.18Å; L693-L697 HydrophobicContact CD2-CD2 4.22Å; L693-L697 WeakPolarHBondContact O-CB 3.27Å; L693-L697 PolarHBondContact O-N 2.9Å; L693-I698 WeakPolarHBondContact O-CG1 3.37Å; L693-I698 PolarHBondContact O-N 3.46Å |
| 694 | L | 91.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -63.5 | -55.9 | 172.4 | -77.8 | 157.5 | 0 | 0 | 0 | 109.9 | L686 R691 I698 L699 L717 C720 L727 | L686-L694 HydrophobicContact CD2-CD1 3.87Å; R691-L694 HydrophobicContact CG-CD1 4.22Å; R691-L694 WeakPolarHBondContact O-CB 3.47Å; R691-L694 PolarHBondContact O-N 2.69Å; L694-I698 HydrophobicContact CD2-CB 4.35Å; L694-I698 HydrophobicContact CD2-CD1 4.1Å; L694-I698 HydrophobicContact CD2-CG2 4.38Å; L694-I698 HydrophobicContact CG-CD1 4.37Å; L694-I698 PolarHBondContact O-N 3.49Å; L694-L699 HydrophobicContact CB-CD1 4.24Å; L694-L699 HydrophobicContact CB-CG 4.42Å; L694-L699 WeakPolarHBondContact O-CB 3.42Å; L694-L699 WeakPolarHBondContact O-CG 3.31Å; L694-L699 PolarHBondContact O-N 3.46Å; L694-L717 HydrophobicContact CD2-CD1 3.46Å; L694-L717 VanDerWaalsContact CD2-CD1 3.46Å; L694-C720 HydrophobicContact CD1-CB 4.24Å; L694-C720 HydrophobicContact CD2-CB 4.1Å; L694-L727 HydrophobicContact CD1-CD1 3.89Å; L694-L727 HydrophobicContact CD1-CD2 3.55Å; L694-L727 HydrophobicContact CD1-CG 4.39Å; L694-L727 HydrophobicContact CD2-CD2 4.38Å |
| 695 | D | 88.2 | Confident | 90.8 | Very high | 106 Ų | 106 | 44.2 Ų | 44.2 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | I | π-helix | trans | -72.6 | -36.2 | -172.8 | -43.5 | -45.6 | 0 | 0 | 0 | 111.9 | P700 | D695-P700 WeakPolarHBondContact O-CD 3.5Å |
| 696 | S | 89.5 | Confident | 90.9 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 48% | 0.476 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -88.6 | -17 | -175.9 | 61.3 | 0 | 0 | 0 | 0 | 115.9 | S692 | S692-S696 WeakPolarHBondContact O-CB 3.04Å; S692-S696 PolarHBondContact O-N 2.87Å; S692-S696 PolarHBondContact O-OG 2.88Å |
| 697 | L | 93.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -138.9 | -57.6 | -176.1 | 175.2 | 66.5 | 0 | 0 | 0 | 113.4 | I492 L657 L666 A669 L693 S701 | I492-L697 HydrophobicContact CG2-CD2 3.72Å; L657-L697 HydrophobicContact CD2-CD1 4.44Å; L666-L697 HydrophobicContact CD2-CD1 3.84Å; A669-L697 HydrophobicContact CB-CD1 4.15Å; A669-L697 HydrophobicContact CB-CD2 3.76Å; L693-L697 HydrophobicContact CD2-CB 4.18Å; L693-L697 HydrophobicContact CD2-CD2 4.22Å; L693-L697 WeakPolarHBondContact O-CB 3.27Å; L693-L697 PolarHBondContact O-N 2.9Å; L697-S701 VanDerWaalsContact O-CB 3.23Å; L697-S701 WeakPolarHBondContact O-CB 3.41Å; L697-S701 PolarHBondContact O-N 2.74Å; L697-S701 PolarHBondContact O-OG 3.09Å |
| 698 | I | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -70.6 | -51.2 | -165.2 | -59.8 | 166.7 | 0 | 0 | 0 | 110.9 | L693 L694 S701 M702 A713 A716 L717 | L693-I698 WeakPolarHBondContact O-CG1 3.37Å; L693-I698 PolarHBondContact O-N 3.46Å; L694-I698 HydrophobicContact CD2-CB 4.35Å; L694-I698 HydrophobicContact CD2-CD1 4.1Å; L694-I698 HydrophobicContact CD2-CG2 4.38Å; L694-I698 HydrophobicContact CG-CD1 4.37Å; L694-I698 PolarHBondContact O-N 3.49Å; I698-S701 WeakPolarHBondContact O-CB 3.44Å; I698-S701 PolarHBondContact O-N 3.05Å; I698-S701 VanDerWaalsContact O-N 3.09Å; I698-M702 WeakPolarHBondContact O-CG 3.4Å; I698-M702 PolarHBondContact O-N 3.32Å; I698-A713 HydrophobicContact CG2-CB 4.4Å; I698-A713 VanDerWaalsContact CG2-O 3.32Å; I698-A713 WeakPolarHBondContact CG2-O 3.48Å; I698-A716 HydrophobicContact CD1-CB 3.98Å; I698-A716 HydrophobicContact CG1-CB 4.17Å; I698-A716 HydrophobicContact CG2-CB 4.12Å; I698-L717 HydrophobicContact CG2-CB 3.94Å |
| 699 | L | 93.5 | Very high | 91.7 | Very high | 32 Ų | 32 | 40 Ų | 40 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | -179.4 | -64 | 171.5 | 0 | 0 | 0 | 112 | L694 S701 M702 L717 Y731 | L694-L699 HydrophobicContact CB-CD1 4.24Å; L694-L699 HydrophobicContact CB-CG 4.42Å; L694-L699 WeakPolarHBondContact O-CB 3.42Å; L694-L699 WeakPolarHBondContact O-CG 3.31Å; L694-L699 PolarHBondContact O-N 3.46Å; L699-S701 PolarHBondContact O-N 3.12Å; L699-M702 HydrophobicContact CD2-SD 4.16Å; L699-M702 PolarHBondContact O-N 3.2Å; L699-L717 HydrophobicContact CD2-CD1 4.23Å; L699-L717 HydrophobicContact CD2-CD2 4.2Å; L699-Y731 HydrophobicContact CD1-CE2 4.49Å; L699-Y731 VanDerWaalsContact CD1-OH 3.28Å; L699-Y731 WeakPolarHBondContact CD1-OH 3.31Å; L699-Y731 HydrophobicContact CD2-CD1 4.19Å; L699-Y731 HydrophobicContact CD2-CE1 3.6Å; L699-Y731 HydrophobicContact CD2-CE2 4.33Å |
| 700 | P | 93.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.7 | -50.3 | 165.9 | -28.8 | 34.2 | 0 | 0 | 0 | 113.2 | T654 L657 F658 D695 M702 Q703 | T654-P700 HydrophobicContact CG2-CB 3.96Å; T654-P700 HydrophobicContact CG2-CG 4.07Å; L657-P700 HydrophobicContact CD2-CB 3.61Å; L657-P700 HydrophobicContact CD2-CG 4.18Å; F658-P700 VanDerWaalsContact CZ-O 3.22Å; F658-P700 WeakPolarHBondContact CZ-O 3.38Å; D695-P700 WeakPolarHBondContact O-CD 3.5Å; P700-M702 PolarHBondContact O-N 2.87Å; P700-Q703 PolarHBondContact O-N 2.63Å |
| 701 | S | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -19.5 | -174.5 | -61.8 | 0 | 0 | 0 | 0 | 114.1 | N670 L697 I698 L699 Q703 H704 | N670-S701 VanDerWaalsContact ND2-CB 3.33Å; N670-S701 WeakPolarHBondContact ND2-CB 3.46Å; N670-S701 PolarHBondContact ND2-OG 3.39Å; L697-S701 VanDerWaalsContact O-CB 3.23Å; L697-S701 WeakPolarHBondContact O-CB 3.41Å; L697-S701 PolarHBondContact O-N 2.74Å; L697-S701 PolarHBondContact O-OG 3.09Å; I698-S701 WeakPolarHBondContact O-CB 3.44Å; I698-S701 PolarHBondContact O-N 3.05Å; I698-S701 VanDerWaalsContact O-N 3.09Å; L699-S701 PolarHBondContact O-N 3.12Å; S701-Q703 VanDerWaalsContact C-N 3.28Å; S701-Q703 PolarHBondContact O-N 3.44Å; S701-H704 WeakPolarHBondContact O-CB 3.45Å; S701-H704 PolarHBondContact O-N 2.63Å |
| 702 | M | 93.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 14% | 0.143 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.9 | 173.3 | -66.7 | 173.3 | 60.6 | 0 | 0 | 113.9 | I698 L699 P700 R710 A713 I714 L717 V734 | I698-M702 WeakPolarHBondContact O-CG 3.4Å; I698-M702 PolarHBondContact O-N 3.32Å; L699-M702 HydrophobicContact CD2-SD 4.16Å; L699-M702 PolarHBondContact O-N 3.2Å; P700-M702 PolarHBondContact O-N 2.87Å; M702-R710 WeakPolarHBondContact O-CD 3.34Å; M702-R710 WeakPolarHBondContact O-CG 3.38Å; M702-A713 HydrophobicContact CG-CB 3.64Å; M702-I714 HydrophobicContact CE-CD1 3.76Å; M702-I714 HydrophobicContact CE-CG1 4.42Å; M702-L717 HydrophobicContact CE-CD2 3.68Å; M702-L717 HydrophobicContact SD-CB 4.19Å; M702-L717 HydrophobicContact SD-CD2 3.4Å; M702-L717 WeakPolarHBondContact SD-CD2 3.12Å; M702-L717 HydrophobicContact SD-CG 4.4Å; M702-V734 HydrophobicContact CE-CG1 3.52Å |
| 703 | Q | 90.8 | Very high | 93.2 | Very high | 144 Ų | 144 | 35.2 Ų | 35.2 | 67% | 0.673 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.9 | 175.7 | -60.3 | -176.6 | -3.4 | 0 | 0 | 113 | P700 S701 | P700-Q703 PolarHBondContact O-N 2.63Å; S701-Q703 VanDerWaalsContact C-N 3.28Å; S701-Q703 PolarHBondContact O-N 3.44Å |
| 704 | H | 92.7 | Very high | 93.5 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | trans | -67.3 | 148.8 | -175.6 | -171.3 | -90.8 | 0 | 0 | 0 | 112.4 | F658 S663 S701 D706 V709 R710 | F658-H704 AromaticContact CD1-CD2 3.84Å; F658-H704 HydrophobicContact CE1-CB 4Å; F658-H704 AromaticContact CE1-CD2 3.76Å; F658-H704 HydrophobicContact CZ-CB 3.84Å; S663-H704 PolarHBondContact OG-CE1 2.99Å; S701-H704 WeakPolarHBondContact O-CB 3.45Å; S701-H704 PolarHBondContact O-N 2.63Å; H704-D706 VanDerWaalsContact CE1-CB 3.43Å; H704-D706 WeakPolarHBondContact CE1-CB 3.42Å; H704-D706 VanDerWaalsContact ND1-CB 3.34Å; H704-D706 WeakPolarHBondContact ND1-CB 3.49Å; H704-D706 PolarHBondContact ND1-N 2.98Å; H704-D706 VanDerWaalsContact ND1-N 3.12Å; H704-V709 HydrophobicContact CB-CB 4.28Å; H704-V709 HydrophobicContact CB-CG1 3.83Å; H704-R710 VanDerWaalsContact O-CD 3.31Å; H704-R710 WeakPolarHBondContact O-CD 3.11Å; H704-R710 WeakPolarHBondContact O-CG 3.22Å; H704-R710 PolarHBondContact O-NH1 2.81Å | ||
| 705 | S | 90.8 | Very high | 93.8 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 73% | 0.727 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -68.3 | -40.3 | -175.9 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | V707 R710 | S705-V707 PolarHBondContact O-N 3.21Å; S705-R710 PolarHBondContact O-NH1 3.39Å |
| 706 | D | 92.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 32.2 Ų | 32.2 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | trans | -65.3 | 121.4 | 175.4 | -176.6 | -7.6 | 0 | 0 | 0 | 111.8 | H704 A708 V709 R710 | H704-D706 VanDerWaalsContact CE1-CB 3.43Å; H704-D706 WeakPolarHBondContact CE1-CB 3.42Å; H704-D706 VanDerWaalsContact ND1-CB 3.34Å; H704-D706 WeakPolarHBondContact ND1-CB 3.49Å; H704-D706 PolarHBondContact ND1-N 2.98Å; H704-D706 VanDerWaalsContact ND1-N 3.12Å; D706-A708 VanDerWaalsContact C-N 3.28Å; D706-A708 PolarHBondContact O-N 3.21Å; D706-A708 WeakPolarHBondContact OD1-CB 3.26Å; D706-A708 PolarHBondContact OD1-N 2.94Å; D706-V709 HydrophobicContact CB-CB 4.26Å; D706-V709 HydrophobicContact CB-CG2 3.96Å; D706-V709 PolarHBondContact O-N 3.05Å; D706-R710 PolarHBondContact O-N 3.43Å; D706-R710 VanDerWaalsContact O-N 3.1Å | ||
| 707 | V | 95 | Very high | 94.5 | Very high | 41 Ų | 41 | 29 Ų | 29 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.9 | -35.8 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | S705 R710 N711 H743 M745 I746 | S705-V707 PolarHBondContact O-N 3.21Å; V707-R710 PolarHBondContact O-N 3.42Å; V707-N711 VanDerWaalsContact O-CB 3.28Å; V707-N711 WeakPolarHBondContact O-CB 3.46Å; V707-N711 PolarHBondContact O-N 3.27Å; V707-H743 HydrophobicContact CG1-CB 3.75Å; V707-M745 HydrophobicContact CG1-CE 3.77Å; V707-I746 HydrophobicContact CG1-CD1 3.66Å; V707-I746 HydrophobicContact CG1-CG1 4.13Å |
| 708 | A | 93.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 29 Ų | 29 | 26% | 0.256 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.2 | -38.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F667 D706 Q712 | F667-A708 HydrophobicContact CD2-CB 4.02Å; F667-A708 HydrophobicContact CE2-CB 4.1Å; D706-A708 VanDerWaalsContact C-N 3.28Å; D706-A708 PolarHBondContact O-N 3.21Å; D706-A708 WeakPolarHBondContact OD1-CB 3.26Å; D706-A708 PolarHBondContact OD1-N 2.94Å; A708-Q712 WeakPolarHBondContact O-CG 3.39Å; A708-Q712 PolarHBondContact O-N 3.06Å; A708-Q712 VanDerWaalsContact O-N 3.17Å |
| 709 | V | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.7 | -50.8 | 174.1 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | S663 L666 F667 H704 D706 N711 Q712 A713 | S663-V709 VanDerWaalsContact O-CG2 3.32Å; S663-V709 WeakPolarHBondContact O-CG2 3.19Å; L666-V709 HydrophobicContact CB-CG1 3.91Å; L666-V709 HydrophobicContact CB-CG2 4.35Å; F667-V709 HydrophobicContact CB-CG2 4.16Å; H704-V709 HydrophobicContact CB-CB 4.28Å; H704-V709 HydrophobicContact CB-CG1 3.83Å; D706-V709 HydrophobicContact CB-CB 4.26Å; D706-V709 HydrophobicContact CB-CG2 3.96Å; D706-V709 PolarHBondContact O-N 3.05Å; V709-N711 VanDerWaalsContact C-N 3.28Å; V709-N711 PolarHBondContact O-N 2.99Å; V709-Q712 PolarHBondContact O-N 3.27Å; V709-A713 WeakPolarHBondContact O-CB 3.42Å; V709-A713 PolarHBondContact O-N 3.42Å |
| 710 | R | 95.5 | Very high | 94.8 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | 176.2 | -70 | -155.7 | -58.1 | -72.4 | 4.8 | 112.1 | M702 H704 S705 D706 V707 A713 I714 D742 I746 | M702-R710 WeakPolarHBondContact O-CD 3.34Å; M702-R710 WeakPolarHBondContact O-CG 3.38Å; H704-R710 VanDerWaalsContact O-CD 3.31Å; H704-R710 WeakPolarHBondContact O-CD 3.11Å; H704-R710 WeakPolarHBondContact O-CG 3.22Å; H704-R710 PolarHBondContact O-NH1 2.81Å; S705-R710 PolarHBondContact O-NH1 3.39Å; D706-R710 PolarHBondContact O-N 3.43Å; D706-R710 VanDerWaalsContact O-N 3.1Å; V707-R710 PolarHBondContact O-N 3.42Å; R710-A713 PolarHBondContact O-N 3.06Å; R710-I714 WeakPolarHBondContact O-CB 3.34Å; R710-I714 VanDerWaalsContact O-CG1 3.22Å; R710-I714 WeakPolarHBondContact O-CG1 3.45Å; R710-I714 PolarHBondContact O-N 2.96Å; R710-D742 IonicContact CZ-OD1 3.72Å; R710-D742 IonicContact CZ-OD2 2.63Å; R710-D742 IonicContact NE-OD1 2.73Å; R710-D742 IonicContact NE-OD2 2.72Å; R710-D742 PolarHBondContact NE-OD2 3.17Å; R710-D742 IonicContact NH2-OD1 2.65Å; R710-D742 PolarHBondContact NH2-OD1 2.93Å; R710-D742 IonicContact NH2-OD2 2.57Å; R710-I746 HydrophobicContact CB-CD1 3.63Å |
| 711 | N | 96.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | -178.1 | -163 | 55 | 0 | 0 | 0 | 112.8 | V707 V709 A713 L715 M745 I746 T749 | V707-N711 VanDerWaalsContact O-CB 3.28Å; V707-N711 WeakPolarHBondContact O-CB 3.46Å; V707-N711 PolarHBondContact O-N 3.27Å; V709-N711 VanDerWaalsContact C-N 3.28Å; V709-N711 PolarHBondContact O-N 2.99Å; N711-A713 VanDerWaalsContact C-N 3.33Å; N711-L715 WeakPolarHBondContact O-CB 3.48Å; N711-L715 PolarHBondContact O-N 3.42Å; N711-M745 HydrophobicContact CB-CE 3.96Å; N711-M745 PolarHBondContact OD1-O 3.18Å; N711-I746 HydrophobicContact CB-CG1 3.78Å; N711-I746 VanDerWaalsContact OD1-CA 3.32Å; N711-I746 WeakPolarHBondContact OD1-CA 3.21Å; N711-T749 PolarHBondContact ND2-OG1 3.39Å; N711-T749 VanDerWaalsContact OD1-CB 3.3Å; N711-T749 WeakPolarHBondContact OD1-CB 3.08Å; N711-T749 PolarHBondContact OD1-OG1 2.95Å |
| 712 | Q | 95.5 | Very high | 94.8 | Very high | 33 Ų | 33 | 30 Ų | 30 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -34.3 | 173.4 | -66.2 | -57.9 | -54.5 | 0 | 0 | 112 | F667 N670 K671 A708 V709 L715 A716 | F667-Q712 HydrophobicContact CD2-CG 3.64Å; F667-Q712 HydrophobicContact CE2-CG 3.45Å; F667-Q712 VanDerWaalsContact CE2-CG 3.45Å; F667-Q712 HydrophobicContact CZ-CG 4.26Å; N670-Q712 HydrophobicContact CB-CB 3.81Å; K671-Q712 HydrophobicContact CB-CG 4.42Å; A708-Q712 WeakPolarHBondContact O-CG 3.39Å; A708-Q712 PolarHBondContact O-N 3.06Å; A708-Q712 VanDerWaalsContact O-N 3.17Å; V709-Q712 PolarHBondContact O-N 3.27Å; Q712-L715 PolarHBondContact O-N 3.31Å; Q712-A716 VanDerWaalsContact O-CB 3.29Å; Q712-A716 WeakPolarHBondContact O-CB 3.34Å; Q712-A716 PolarHBondContact O-N 2.78Å |
| 713 | A | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I698 M702 V709 R710 N711 L715 A716 L717 | I698-A713 HydrophobicContact CG2-CB 4.4Å; I698-A713 VanDerWaalsContact CG2-O 3.32Å; I698-A713 WeakPolarHBondContact CG2-O 3.48Å; M702-A713 HydrophobicContact CG-CB 3.64Å; V709-A713 WeakPolarHBondContact O-CB 3.42Å; V709-A713 PolarHBondContact O-N 3.42Å; R710-A713 PolarHBondContact O-N 3.06Å; N711-A713 VanDerWaalsContact C-N 3.33Å; A713-L715 VanDerWaalsContact C-N 3.33Å; A713-L715 PolarHBondContact O-N 3.34Å; A713-A716 PolarHBondContact O-N 3.46Å; A713-L717 WeakPolarHBondContact O-CB 3.25Å; A713-L717 PolarHBondContact O-N 2.99Å |
| 714 | I | 97.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 172 | -70.6 | -93.2 | 0 | 0 | 0 | 110.4 | M702 R710 G718 A738 I746 T749 A750 | M702-I714 HydrophobicContact CE-CD1 3.76Å; M702-I714 HydrophobicContact CE-CG1 4.42Å; R710-I714 WeakPolarHBondContact O-CB 3.34Å; R710-I714 VanDerWaalsContact O-CG1 3.22Å; R710-I714 WeakPolarHBondContact O-CG1 3.45Å; R710-I714 PolarHBondContact O-N 2.96Å; I714-G718 PolarHBondContact O-N 3.1Å; I714-A738 HydrophobicContact CD1-CB 3.89Å; I714-I746 HydrophobicContact CD1-CG2 4.14Å; I714-I746 HydrophobicContact CG1-CG2 3.94Å; I714-T749 HydrophobicContact CG2-CG2 4.04Å; I714-A750 HydrophobicContact CG2-CB 4.16Å |
| 715 | L | 97.2 | Very high | 95 | Very high | 44 Ų | 44 | 25.6 Ų | 25.6 | 23% | 0.23 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 177 | 179.5 | 60.8 | 0 | 0 | 0 | 112.1 | A674 N711 Q712 A713 G718 L719 T749 | A674-L715 HydrophobicContact CB-CD2 4.44Å; A674-L715 HydrophobicContact CB-CG 4.42Å; N711-L715 WeakPolarHBondContact O-CB 3.48Å; N711-L715 PolarHBondContact O-N 3.42Å; Q712-L715 PolarHBondContact O-N 3.31Å; A713-L715 VanDerWaalsContact C-N 3.33Å; A713-L715 PolarHBondContact O-N 3.34Å; L715-G718 PolarHBondContact O-N 3.5Å; L715-L719 HydrophobicContact CD1-CD1 4.17Å; L715-L719 HydrophobicContact CD1-CG 4.39Å; L715-L719 HydrophobicContact CG-CD1 4.04Å; L715-L719 WeakPolarHBondContact O-CB 3.41Å; L715-L719 WeakPolarHBondContact O-CD1 3.45Å; L715-L719 VanDerWaalsContact O-CG 3.26Å; L715-L719 WeakPolarHBondContact O-CG 3.19Å; L715-L719 PolarHBondContact O-N 3.3Å; L715-T749 HydrophobicContact CB-CG2 3.96Å; L715-T749 HydrophobicContact CD1-CG2 4.33Å |
| 716 | A | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A674 I698 Q712 A713 L719 C720 | A674-A716 HydrophobicContact CB-CB 4.35Å; I698-A716 HydrophobicContact CD1-CB 3.98Å; I698-A716 HydrophobicContact CG1-CB 4.17Å; I698-A716 HydrophobicContact CG2-CB 4.12Å; Q712-A716 VanDerWaalsContact O-CB 3.29Å; Q712-A716 WeakPolarHBondContact O-CB 3.34Å; Q712-A716 PolarHBondContact O-N 2.78Å; A713-A716 PolarHBondContact O-N 3.46Å; A716-L719 PolarHBondContact O-N 2.98Å; A716-C720 PolarHBondContact O-N 2.91Å; A716-C720 PolarHBondContact O-SG 2.63Å |
| 717 | L | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 173.1 | 177 | 62.2 | 0 | 0 | 0 | 111 | L694 I698 L699 M702 A713 L719 C720 C721 L727 Y731 F735 | L694-L717 HydrophobicContact CD2-CD1 3.46Å; L694-L717 VanDerWaalsContact CD2-CD1 3.46Å; I698-L717 HydrophobicContact CG2-CB 3.94Å; L699-L717 HydrophobicContact CD2-CD1 4.23Å; L699-L717 HydrophobicContact CD2-CD2 4.2Å; M702-L717 HydrophobicContact CE-CD2 3.68Å; M702-L717 HydrophobicContact SD-CB 4.19Å; M702-L717 HydrophobicContact SD-CD2 3.4Å; M702-L717 WeakPolarHBondContact SD-CD2 3.12Å; M702-L717 HydrophobicContact SD-CG 4.4Å; A713-L717 WeakPolarHBondContact O-CB 3.25Å; A713-L717 PolarHBondContact O-N 2.99Å; L717-L719 VanDerWaalsContact C-N 3.31Å; L717-L719 PolarHBondContact O-N 2.82Å; L717-C720 WeakPolarHBondContact O-CB 3.26Å; L717-C720 PolarHBondContact O-N 3.13Å; L717-C720 VanDerWaalsContact O-N 3.08Å; L717-C721 PolarHBondContact O-N 2.92Å; L717-C721 PolarHBondContact O-SG 3.19Å; L717-C721 VanDerWaalsContact O-SG 3.33Å; L717-L727 HydrophobicContact CD1-CD2 4.44Å; L717-Y731 HydrophobicContact CD1-CD2 4.17Å; L717-Y731 HydrophobicContact CD1-CG 4.22Å; L717-Y731 HydrophobicContact CD2-CD1 4.19Å; L717-Y731 HydrophobicContact CD2-CG 4.1Å; L717-F735 HydrophobicContact CB-CE1 4.39Å; L717-F735 HydrophobicContact CB-CZ 4.49Å; L717-F735 HydrophobicContact CD2-CE1 3.91Å; L717-F735 HydrophobicContact CD2-CZ 4.1Å; L717-F735 HydrophobicContact CG-CE1 4.02Å; L717-F735 HydrophobicContact CG-CZ 3.86Å |
| 718 | G | 96.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.6 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I714 L715 C721 T722 | I714-G718 PolarHBondContact O-N 3.1Å; L715-G718 PolarHBondContact O-N 3.5Å; G718-C721 WeakPolarHBondContact O-CB 3.12Å; G718-C721 PolarHBondContact O-N 2.72Å; G718-T722 WeakPolarHBondContact O-CG2 3.28Å; G718-T722 PolarHBondContact O-N 2.84Å; G718-T722 VanDerWaalsContact O-N 3.11Å |
| 719 | L | 95.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 20.9 Ų | 20.9 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.1 | -30.7 | 175 | -71.5 | 165.2 | 0 | 0 | 0 | 113.3 | A674 I677 Q678 L715 A716 L717 T722 M723 | A674-L719 HydrophobicContact CB-CD1 3.66Å; I677-L719 HydrophobicContact CB-CB 4.33Å; I677-L719 HydrophobicContact CD1-CB 3.87Å; I677-L719 HydrophobicContact CG2-CB 4.07Å; I677-L719 HydrophobicContact CG2-CD2 4.44Å; Q678-L719 HydrophobicContact CG-CD1 3.85Å; Q678-L719 HydrophobicContact CG-CD2 4Å; L715-L719 HydrophobicContact CD1-CD1 4.17Å; L715-L719 HydrophobicContact CD1-CG 4.39Å; L715-L719 HydrophobicContact CG-CD1 4.04Å; L715-L719 WeakPolarHBondContact O-CB 3.41Å; L715-L719 WeakPolarHBondContact O-CD1 3.45Å; L715-L719 VanDerWaalsContact O-CG 3.26Å; L715-L719 WeakPolarHBondContact O-CG 3.19Å; L715-L719 PolarHBondContact O-N 3.3Å; A716-L719 PolarHBondContact O-N 2.98Å; L717-L719 VanDerWaalsContact C-N 3.31Å; L717-L719 PolarHBondContact O-N 2.82Å; L719-T722 PolarHBondContact O-OG1 2.66Å; L719-M723 WeakPolarHBondContact O-CE 3.23Å |
| 720 | C | 94.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.1 | -41.6 | 169.6 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | L686 L694 A716 L717 T722 M723 D724 L727 | L686-C720 HydrophobicContact CD1-CB 4.21Å; L694-C720 HydrophobicContact CD1-CB 4.24Å; L694-C720 HydrophobicContact CD2-CB 4.1Å; A716-C720 PolarHBondContact O-N 2.91Å; A716-C720 PolarHBondContact O-SG 2.63Å; L717-C720 WeakPolarHBondContact O-CB 3.26Å; L717-C720 PolarHBondContact O-N 3.13Å; L717-C720 VanDerWaalsContact O-N 3.08Å; C720-T722 VanDerWaalsContact C-N 3.35Å; C720-T722 PolarHBondContact O-N 3.42Å; C720-M723 PolarHBondContact O-N 3.36Å; C720-M723 VanDerWaalsContact O-N 3.16Å; C720-D724 PolarHBondContact O-N 2.95Å; C720-L727 HydrophobicContact CB-CD2 3.78Å |
| 721 | C | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 177.6 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | L717 G718 M723 D724 T728 F735 Y761 | L717-C721 PolarHBondContact O-N 2.92Å; L717-C721 PolarHBondContact O-SG 3.19Å; L717-C721 VanDerWaalsContact O-SG 3.33Å; G718-C721 WeakPolarHBondContact O-CB 3.12Å; G718-C721 PolarHBondContact O-N 2.72Å; C721-M723 PolarHBondContact O-N 3.49Å; C721-D724 CarbonylContact O-C 3.56Å; C721-D724 PolarHBondContact O-N 2.9Å; C721-D724 VanDerWaalsContact O-O 3.1Å; C721-T728 WeakPolarHBondContact CA-OG1 3.43Å; C721-T728 WeakPolarHBondContact CB-OG1 3.22Å; C721-T728 PolarHBondContact O-OG1 3.35Å; C721-F735 HydrophobicContact CB-CE2 4.38Å; C721-Y761 WeakPolarHBondContact O-CE2 3.47Å; C721-Y761 PolarHBondContact O-OH 3.18Å |
| 722 | T | 93.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 25 Ų | 25 | 22% | 0.221 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11.7 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | G718 L719 C720 I760 Y761 | G718-T722 WeakPolarHBondContact O-CG2 3.28Å; G718-T722 PolarHBondContact O-N 2.84Å; G718-T722 VanDerWaalsContact O-N 3.11Å; L719-T722 PolarHBondContact O-OG1 2.66Å; C720-T722 VanDerWaalsContact C-N 3.35Å; C720-T722 PolarHBondContact O-N 3.42Å; T722-I760 HydrophobicContact CG2-CD1 3.61Å; T722-Y761 VanDerWaalsContact C-OH 3.24Å; T722-Y761 PolarHBondContact O-OH 3.37Å |
| 723 | M | 92.5 | Very high | 95 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -4.3 | 177.9 | -56.3 | -176.5 | -71.3 | 0 | 0 | 114.1 | I677 L683 L686 L719 C720 C721 | I677-M723 HydrophobicContact CD1-CE 3.85Å; I677-M723 HydrophobicContact CG1-CE 3.94Å; I677-M723 HydrophobicContact CG2-CE 3.76Å; I677-M723 HydrophobicContact CG2-SD 4.04Å; L683-M723 HydrophobicContact CB-SD 4.27Å; L683-M723 HydrophobicContact CD2-CE 4.21Å; L683-M723 HydrophobicContact CD2-SD 3.56Å; L683-M723 VanDerWaalsContact CD2-SD 3.56Å; L683-M723 HydrophobicContact CG-SD 3.59Å; L683-M723 VanDerWaalsContact CG-SD 3.59Å; L686-M723 HydrophobicContact CB-CB 4.28Å; L686-M723 HydrophobicContact CD1-CE 3.8Å; L719-M723 WeakPolarHBondContact O-CE 3.23Å; C720-M723 PolarHBondContact O-N 3.36Å; C720-M723 VanDerWaalsContact O-N 3.16Å; C721-M723 PolarHBondContact O-N 3.49Å |
| 724 | D | 94.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 27.3 Ų | 27.3 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | trans | -146.4 | 105.5 | -172.1 | -169.4 | -43.6 | 0 | 0 | 0 | 110.5 | L686 R691 C720 C721 P726 L727 T728 Y761 | L686-D724 HydrophobicContact CB-CB 4.09Å; L686-D724 HydrophobicContact CD2-CB 4.12Å; R691-D724 IonicContact CZ-OD2 2.73Å; R691-D724 IonicContact NH1-OD1 3.73Å; R691-D724 IonicContact NH1-OD2 2.78Å; R691-D724 PolarHBondContact NH1-OD2 3.1Å; C720-D724 PolarHBondContact O-N 2.95Å; C721-D724 CarbonylContact O-C 3.56Å; C721-D724 PolarHBondContact O-N 2.9Å; C721-D724 VanDerWaalsContact O-O 3.1Å; D724-P726 VanDerWaalsContact OD1-CD 3.3Å; D724-P726 WeakPolarHBondContact OD1-CD 3.48Å; D724-L727 HydrophobicContact CB-CB 3.73Å; D724-L727 HydrophobicContact CB-CD2 4.28Å; D724-L727 PolarHBondContact O-N 3.22Å; D724-L727 VanDerWaalsContact OD1-CB 3.3Å; D724-L727 WeakPolarHBondContact OD1-CB 3.29Å; D724-L727 PolarHBondContact OD1-N 3.29Å; D724-T728 PolarHBondContact O-N 3.22Å; D724-T728 PolarHBondContact O-OG1 3.31Å; D724-Y761 PolarHBondContact N-OH 3.43Å | ||
| 725 | L | 94.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 27 Ų | 27 | 27% | 0.267 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -69.8 | -46.2 | -176.8 | 173 | 62.3 | 0 | 0 | 0 | 113.1 | L727 T728 L729 Y761 P765 | L725-L727 VanDerWaalsContact C-N 3.29Å; L725-L727 PolarHBondContact O-N 3.42Å; L725-T728 WeakPolarHBondContact O-CA 3.3Å; L725-T728 WeakPolarHBondContact O-CB 3.42Å; L725-T728 PolarHBondContact O-N 3.45Å; L725-T728 VanDerWaalsContact O-N 3.09Å; L725-L729 HydrophobicContact CD1-CD1 4.31Å; L725-L729 HydrophobicContact CD1-CD2 4.5Å; L725-L729 HydrophobicContact CD1-CG 4.09Å; L725-L729 HydrophobicContact CG-CD1 4.38Å; L725-L729 WeakPolarHBondContact O-CG 3.37Å; L725-L729 PolarHBondContact O-N 3.37Å; L725-Y761 HydrophobicContact CB-CD1 4.16Å; L725-Y761 HydrophobicContact CB-CE1 3.81Å; L725-Y761 HydrophobicContact CD1-CD1 3.97Å; L725-Y761 HydrophobicContact CD1-CD2 4.03Å; L725-Y761 HydrophobicContact CD1-CE1 4.39Å; L725-Y761 HydrophobicContact CD1-CE2 4.41Å; L725-Y761 HydrophobicContact CD1-CG 3.8Å; L725-Y761 HydrophobicContact CD2-CD1 4.46Å; L725-Y761 HydrophobicContact CG-CD1 4.43Å; L725-P765 HydrophobicContact CD1-CB 3.65Å; L725-P765 HydrophobicContact CD1-CG 3.93Å; L725-P765 HydrophobicContact CD2-CB 3.88Å; L725-P765 HydrophobicContact CD2-CG 3.69Å; L725-P765 HydrophobicContact CG-CB 4.25Å; L725-P765 HydrophobicContact CG-CG 4.44Å |
| 726 | P | 94.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 25 Ų | 25 | 59% | 0.591 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -52.6 | -44.9 | 170.3 | -29.2 | 36 | 0 | 0 | 0 | 113.2 | D724 T728 L729 Q730 | D724-P726 VanDerWaalsContact OD1-CD 3.3Å; D724-P726 WeakPolarHBondContact OD1-CD 3.48Å; P726-T728 VanDerWaalsContact C-N 3.33Å; P726-T728 PolarHBondContact O-N 3.09Å; P726-L729 PolarHBondContact O-N 2.81Å; P726-Q730 PolarHBondContact O-N 3.33Å |
| 727 | L | 94.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 175 | -170.2 | 75.3 | 0 | 0 | 0 | 111.9 | L686 L694 L717 C720 D724 L725 Q730 Y731 | L686-L727 HydrophobicContact CD2-CD2 4.11Å; L694-L727 HydrophobicContact CD1-CD1 3.89Å; L694-L727 HydrophobicContact CD1-CD2 3.55Å; L694-L727 HydrophobicContact CD1-CG 4.39Å; L694-L727 HydrophobicContact CD2-CD2 4.38Å; L717-L727 HydrophobicContact CD1-CD2 4.44Å; C720-L727 HydrophobicContact CB-CD2 3.78Å; D724-L727 HydrophobicContact CB-CB 3.73Å; D724-L727 HydrophobicContact CB-CD2 4.28Å; D724-L727 PolarHBondContact O-N 3.22Å; D724-L727 VanDerWaalsContact OD1-CB 3.3Å; D724-L727 WeakPolarHBondContact OD1-CB 3.29Å; D724-L727 PolarHBondContact OD1-N 3.29Å; L725-L727 VanDerWaalsContact C-N 3.29Å; L725-L727 PolarHBondContact O-N 3.42Å; L727-Q730 PolarHBondContact O-N 2.73Å; L727-Y731 HydrophobicContact CD1-CD2 3.61Å; L727-Y731 HydrophobicContact CD1-CE2 3.55Å; L727-Y731 HydrophobicContact CG-CD2 3.99Å; L727-Y731 HydrophobicContact CG-CE2 4.44Å; L727-Y731 WeakPolarHBondContact O-CD2 3.07Å; L727-Y731 PolarHBondContact O-N 3.18Å |
| 728 | T | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 175 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | C721 D724 L725 P726 Q730 Y731 I732 C757 Y761 F766 | C721-T728 WeakPolarHBondContact CA-OG1 3.43Å; C721-T728 WeakPolarHBondContact CB-OG1 3.22Å; C721-T728 PolarHBondContact O-OG1 3.35Å; D724-T728 PolarHBondContact O-N 3.22Å; D724-T728 PolarHBondContact O-OG1 3.31Å; L725-T728 WeakPolarHBondContact O-CA 3.3Å; L725-T728 WeakPolarHBondContact O-CB 3.42Å; L725-T728 PolarHBondContact O-N 3.45Å; L725-T728 VanDerWaalsContact O-N 3.09Å; P726-T728 VanDerWaalsContact C-N 3.33Å; P726-T728 PolarHBondContact O-N 3.09Å; T728-Q730 VanDerWaalsContact C-N 3.3Å; T728-Q730 PolarHBondContact O-N 2.99Å; T728-Y731 PolarHBondContact O-N 2.75Å; T728-I732 VanDerWaalsContact O-CB 3.23Å; T728-I732 WeakPolarHBondContact O-CB 3.3Å; T728-I732 PolarHBondContact O-N 3.39Å; T728-C757 HydrophobicContact CG2-CB 3.96Å; T728-Y761 HydrophobicContact CG2-CD2 4.21Å; T728-Y761 HydrophobicContact CG2-CE2 4.25Å; T728-Y761 WeakPolarHBondContact OG1-CE2 3.35Å; T728-F766 HydrophobicContact CG2-CE1 3.87Å; T728-F766 HydrophobicContact CG2-CZ 3.73Å |
| 729 | L | 95.2 | Very high | 94.4 | Very high | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.225 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -35.9 | -179.9 | -66.6 | 174 | 0 | 0 | 0 | 112.1 | L725 P726 P765 F766 A769 I771 | L725-L729 HydrophobicContact CD1-CD1 4.31Å; L725-L729 HydrophobicContact CD1-CD2 4.5Å; L725-L729 HydrophobicContact CD1-CG 4.09Å; L725-L729 HydrophobicContact CG-CD1 4.38Å; L725-L729 WeakPolarHBondContact O-CG 3.37Å; L725-L729 PolarHBondContact O-N 3.37Å; P726-L729 PolarHBondContact O-N 2.81Å; L729-P765 HydrophobicContact CD1-CB 4.39Å; L729-P765 HydrophobicContact CD2-CB 4.28Å; L729-F766 HydrophobicContact CD2-CD1 3.78Å; L729-F766 HydrophobicContact CD2-CE1 4.09Å; L729-F766 HydrophobicContact CD2-CG 4.26Å; L729-A769 HydrophobicContact CD1-CB 4.25Å; L729-A769 HydrophobicContact CD2-CB 4.16Å; L729-I771 HydrophobicContact CD2-CD1 4.28Å; L729-I771 HydrophobicContact CD2-CG1 4.11Å |
| 730 | Q | 93.8 | Very high | 94.2 | Very high | 97 Ų | 97 | 34 Ų | 34 | 45% | 0.453 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64 | -47.5 | 173.9 | -174.5 | 177.7 | 9.9 | 0 | 0 | 112.3 | P726 L727 T728 | P726-Q730 PolarHBondContact O-N 3.33Å; L727-Q730 PolarHBondContact O-N 2.73Å; T728-Q730 VanDerWaalsContact C-N 3.3Å; T728-Q730 PolarHBondContact O-N 2.99Å |
| 731 | Y | 94.1 | Very high | 94 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -102.7 | -7 | -167.7 | -71 | -71.5 | 0 | 0 | 0 | 116.3 | L699 L717 L727 T728 H733 V734 F735 | L699-Y731 HydrophobicContact CD1-CE2 4.49Å; L699-Y731 VanDerWaalsContact CD1-OH 3.28Å; L699-Y731 WeakPolarHBondContact CD1-OH 3.31Å; L699-Y731 HydrophobicContact CD2-CD1 4.19Å; L699-Y731 HydrophobicContact CD2-CE1 3.6Å; L699-Y731 HydrophobicContact CD2-CE2 4.33Å; L717-Y731 HydrophobicContact CD1-CD2 4.17Å; L717-Y731 HydrophobicContact CD1-CG 4.22Å; L717-Y731 HydrophobicContact CD2-CD1 4.19Å; L717-Y731 HydrophobicContact CD2-CG 4.1Å; L727-Y731 HydrophobicContact CD1-CD2 3.61Å; L727-Y731 HydrophobicContact CD1-CE2 3.55Å; L727-Y731 HydrophobicContact CG-CD2 3.99Å; L727-Y731 HydrophobicContact CG-CE2 4.44Å; L727-Y731 WeakPolarHBondContact O-CD2 3.07Å; L727-Y731 PolarHBondContact O-N 3.18Å; T728-Y731 PolarHBondContact O-N 2.75Å; Y731-H733 PolarHBondContact O-N 3.01Å; Y731-H733 VanDerWaalsContact O-N 3.1Å; Y731-V734 HydrophobicContact CD1-CG2 4.05Å; Y731-V734 WeakPolarHBondContact O-CB 3.25Å; Y731-V734 PolarHBondContact O-N 3.22Å; Y731-F735 PolarHBondContact O-N 3.49Å |
| 732 | I | 94.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.7 | -35 | 179.1 | -168.7 | 72.3 | 0 | 0 | 0 | 112.9 | T728 V734 F735 Y736 I754 C757 F766 I771 | T728-I732 VanDerWaalsContact O-CB 3.23Å; T728-I732 WeakPolarHBondContact O-CB 3.3Å; T728-I732 PolarHBondContact O-N 3.39Å; I732-V734 VanDerWaalsContact C-N 3.3Å; I732-V734 PolarHBondContact O-N 3.12Å; I732-F735 HydrophobicContact CD1-CD2 4.28Å; I732-F735 PolarHBondContact O-N 3.39Å; I732-Y736 HydrophobicContact CD1-CE2 4.25Å; I732-Y736 HydrophobicContact CG1-CD2 4.06Å; I732-Y736 HydrophobicContact CG1-CE2 3.78Å; I732-Y736 VanDerWaalsContact O-CD2 3.31Å; I732-Y736 WeakPolarHBondContact O-CD2 3.23Å; I732-Y736 PolarHBondContact O-N 2.84Å; I732-Y736 VanDerWaalsContact O-N 3.16Å; I732-I754 HydrophobicContact CD1-CG1 4.32Å; I732-C757 HydrophobicContact CD1-CB 4.42Å; I732-F766 HydrophobicContact CB-CE1 4.27Å; I732-F766 HydrophobicContact CD1-CE1 4.03Å; I732-F766 HydrophobicContact CG1-CD1 4.4Å; I732-F766 HydrophobicContact CG1-CE1 3.91Å; I732-F766 HydrophobicContact CG2-CE1 4.44Å; I732-I771 HydrophobicContact CG2-CD1 4.31Å; I732-I771 HydrophobicContact CG2-CG2 3.81Å |
| 733 | H | 93.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 13% | 0.13 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -35.2 | 176.2 | -69.2 | -98.5 | 0 | 0 | 0 | 112.8 | Y731 Y736 S737 N772 S775 L777 | Y731-H733 PolarHBondContact O-N 3.01Å; Y731-H733 VanDerWaalsContact O-N 3.1Å; H733-Y736 PolarHBondContact O-N 2.91Å; H733-S737 PolarHBondContact O-N 2.89Å; H733-N772 PolarHBondContact CE1-O 2.97Å; H733-N772 PolarHBondContact ND1-O 3.16Å; H733-S775 PolarHBondContact CE1-OG 3.15Å; H733-S775 PolarHBondContact ND1-O 3.04Å; H733-S775 PolarHBondContact ND1-OG 3.41Å; H733-L777 HydrophobicContact CB-CD1 3.85Å |
| 734 | V | 93.4 | Very high | 93.9 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 32% | 0.315 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 179.6 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | M702 Y731 I732 S737 A738 | M702-V734 HydrophobicContact CE-CG1 3.52Å; Y731-V734 HydrophobicContact CD1-CG2 4.05Å; Y731-V734 WeakPolarHBondContact O-CB 3.25Å; Y731-V734 PolarHBondContact O-N 3.22Å; I732-V734 VanDerWaalsContact C-N 3.3Å; I732-V734 PolarHBondContact O-N 3.12Å; V734-S737 WeakPolarHBondContact O-CB 3.38Å; V734-S737 PolarHBondContact O-N 2.85Å; V734-A738 WeakPolarHBondContact O-CB 3.48Å; V734-A738 PolarHBondContact O-N 2.94Å |
| 735 | F | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 172.6 | -54.2 | -43.3 | 0 | 0 | 0 | 112 | L717 C721 Y731 I732 S737 A738 M739 A750 C753 I754 | L717-F735 HydrophobicContact CB-CE1 4.39Å; L717-F735 HydrophobicContact CB-CZ 4.49Å; L717-F735 HydrophobicContact CD2-CE1 3.91Å; L717-F735 HydrophobicContact CD2-CZ 4.1Å; L717-F735 HydrophobicContact CG-CE1 4.02Å; L717-F735 HydrophobicContact CG-CZ 3.86Å; C721-F735 HydrophobicContact CB-CE2 4.38Å; Y731-F735 PolarHBondContact O-N 3.49Å; I732-F735 HydrophobicContact CD1-CD2 4.28Å; I732-F735 PolarHBondContact O-N 3.39Å; F735-S737 VanDerWaalsContact C-N 3.26Å; F735-S737 PolarHBondContact O-N 3.37Å; F735-A738 PolarHBondContact O-N 2.89Å; F735-M739 VanDerWaalsContact O-CB 3.29Å; F735-M739 WeakPolarHBondContact O-CB 3.39Å; F735-M739 PolarHBondContact O-N 2.94Å; F735-A750 HydrophobicContact CB-CB 4.3Å; F735-C753 HydrophobicContact CD1-CB 4.28Å; F735-C753 HydrophobicContact CD2-CB 4.21Å; F735-C753 HydrophobicContact CE1-CB 4.27Å; F735-C753 HydrophobicContact CE2-CB 4.2Å; F735-C753 HydrophobicContact CG-CB 4.27Å; F735-C753 HydrophobicContact CZ-CB 4.23Å; F735-I754 HydrophobicContact CB-CD1 3.93Å; F735-I754 HydrophobicContact CB-CG1 3.6Å |
| 736 | Y | 95.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -32 | 175 | -82.3 | -73.1 | 0 | 0 | 0 | 112.5 | I732 H733 M739 R740 I754 P773 L840 P843 | I732-Y736 HydrophobicContact CD1-CE2 4.25Å; I732-Y736 HydrophobicContact CG1-CD2 4.06Å; I732-Y736 HydrophobicContact CG1-CE2 3.78Å; I732-Y736 VanDerWaalsContact O-CD2 3.31Å; I732-Y736 WeakPolarHBondContact O-CD2 3.23Å; I732-Y736 PolarHBondContact O-N 2.84Å; I732-Y736 VanDerWaalsContact O-N 3.16Å; H733-Y736 PolarHBondContact O-N 2.91Å; Y736-M739 HydrophobicContact CD1-CE 4.13Å; Y736-R740 WeakPolarHBondContact O-CD 3.46Å; Y736-R740 WeakPolarHBondContact O-CG 3.18Å; Y736-I754 HydrophobicContact CD1-CD1 3.84Å; Y736-I754 HydrophobicContact CD2-CD1 4.25Å; Y736-I754 HydrophobicContact CE1-CD1 3.99Å; Y736-I754 HydrophobicContact CE1-CG2 4.2Å; Y736-I754 HydrophobicContact CE2-CD1 4.38Å; Y736-I754 HydrophobicContact CE2-CG1 4.38Å; Y736-I754 HydrophobicContact CE2-CG2 4.16Å; Y736-I754 HydrophobicContact CG-CD1 3.97Å; Y736-I754 WeakPolarHBondContact OH-CG2 3.29Å; Y736-P773 HydrophobicContact CD1-CB 3.63Å; Y736-P773 HydrophobicContact CD2-CB 3.77Å; Y736-P773 HydrophobicContact CE1-CB 3.9Å; Y736-P773 HydrophobicContact CE2-CB 4.04Å; Y736-P773 HydrophobicContact CG-CB 3.58Å; Y736-L840 HydrophobicContact CE2-CD2 3.96Å; Y736-L840 PolarHBondContact OH-O 2.94Å; Y736-L840 VanDerWaalsContact OH-O 3.08Å; Y736-P843 HydrophobicContact CD1-CB 4.48Å; Y736-P843 HydrophobicContact CE1-CB 4.41Å; Y736-P843 HydrophobicContact CE1-CG 4.34Å |
| 737 | S | 93.6 | Very high | 94 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.3 | -50.4 | 172.8 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | H733 V734 F735 M739 R740 V741 | H733-S737 PolarHBondContact O-N 2.89Å; V734-S737 WeakPolarHBondContact O-CB 3.38Å; V734-S737 PolarHBondContact O-N 2.85Å; F735-S737 VanDerWaalsContact C-N 3.26Å; F735-S737 PolarHBondContact O-N 3.37Å; S737-M739 VanDerWaalsContact C-N 3.32Å; S737-M739 PolarHBondContact O-N 2.98Å; S737-R740 WeakPolarHBondContact O-CA 3.48Å; S737-R740 PolarHBondContact O-N 2.71Å; S737-V741 PolarHBondContact O-N 2.82Å |
| 738 | A | 94.3 | Very high | 94 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I714 V734 F735 R740 D742 I746 S747 A750 | I714-A738 HydrophobicContact CD1-CB 3.89Å; V734-A738 WeakPolarHBondContact O-CB 3.48Å; V734-A738 PolarHBondContact O-N 2.94Å; F735-A738 PolarHBondContact O-N 2.89Å; A738-R740 PolarHBondContact O-N 3.34Å; A738-D742 PolarHBondContact O-N 2.77Å; A738-I746 HydrophobicContact CB-CG2 4.07Å; A738-S747 PolarHBondContact O-OG 3.01Å; A738-A750 HydrophobicContact CB-CB 3.85Å |
| 739 | M | 94.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -22.1 | 171.8 | -169 | -164.7 | 75 | 0 | 0 | 113.6 | F735 Y736 S737 L751 I754 P843 I844 L847 | F735-M739 VanDerWaalsContact O-CB 3.29Å; F735-M739 WeakPolarHBondContact O-CB 3.39Å; F735-M739 PolarHBondContact O-N 2.94Å; Y736-M739 HydrophobicContact CD1-CE 4.13Å; S737-M739 VanDerWaalsContact C-N 3.32Å; S737-M739 PolarHBondContact O-N 2.98Å; M739-L751 HydrophobicContact CG-CB 4.11Å; M739-L751 HydrophobicContact SD-CB 4.3Å; M739-L751 HydrophobicContact SD-CD1 3.84Å; M739-I754 HydrophobicContact CB-CD1 4.36Å; M739-I754 HydrophobicContact SD-CD1 3.92Å; M739-P843 HydrophobicContact CE-CB 3.75Å; M739-I844 HydrophobicContact SD-CG1 4.32Å; M739-L847 HydrophobicContact CE-CD1 4.47Å; M739-L847 HydrophobicContact CG-CD1 4.46Å; M739-L847 HydrophobicContact SD-CD1 4.19Å |
| 740 | R | 91.2 | Very high | 94.2 | Very high | 134 Ų | 134 | 46.3 Ų | 46.3 | 51% | 0.506 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -107.9 | -22.9 | -172.8 | -72.1 | 169.3 | 64.8 | 166.4 | 5.7 | 114.8 | Y736 S737 A738 P773 N774 | Y736-R740 WeakPolarHBondContact O-CD 3.46Å; Y736-R740 WeakPolarHBondContact O-CG 3.18Å; S737-R740 WeakPolarHBondContact O-CA 3.48Å; S737-R740 PolarHBondContact O-N 2.71Å; A738-R740 PolarHBondContact O-N 3.34Å; R740-P773 PolarHBondContact NH1-O 2.98Å; R740-N774 PolarHBondContact NH1-OD1 3.29Å |
| 741 | V | 90.3 | Very high | 94.3 | Very high | 117 Ų | 117 | 41.7 Ų | 41.7 | 71% | 0.709 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -137.7 | -23.9 | -163.5 | -165.2 | 0 | 0 | 0 | 0 | 114.5 | S737 | S737-V741 PolarHBondContact O-N 2.82Å |
| 742 | D | 92.6 | Very high | 94.5 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -86.2 | -178.9 | 178.9 | -151.8 | -21.4 | 0 | 0 | 0 | 111.4 | R710 A738 I746 S747 | R710-D742 IonicContact CZ-OD1 3.72Å; R710-D742 IonicContact CZ-OD2 2.63Å; R710-D742 IonicContact NE-OD1 2.73Å; R710-D742 IonicContact NE-OD2 2.72Å; R710-D742 PolarHBondContact NE-OD2 3.17Å; R710-D742 IonicContact NH2-OD1 2.65Å; R710-D742 PolarHBondContact NH2-OD1 2.93Å; R710-D742 IonicContact NH2-OD2 2.57Å; A738-D742 PolarHBondContact O-N 2.77Å; D742-I746 HydrophobicContact CB-CB 4.24Å; D742-I746 HydrophobicContact CB-CG2 3.99Å; D742-I746 WeakPolarHBondContact OD2-CD1 3.25Å; D742-S747 PolarHBondContact O-OG 2.73Å |
| 743 | H | 93.3 | Very high | 94.6 | Very high | 82 Ų | 82 | 41.2 Ų | 41.2 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | trans | -59.8 | 144.8 | 178.4 | -175.1 | -97.6 | 0 | 0 | 0 | 112.7 | V707 M745 I746 S747 | V707-H743 HydrophobicContact CG1-CB 3.75Å; H743-M745 VanDerWaalsContact C-N 3.32Å; H743-M745 PolarHBondContact ND1-N 3.16Å; H743-M745 PolarHBondContact O-N 2.96Å; H743-M745 VanDerWaalsContact O-N 3.11Å; H743-I746 HydrophobicContact CB-CD1 4.45Å; H743-I746 CarbonylContact O-C 3.53Å; H743-I746 WeakPolarHBondContact O-CA 3.38Å; H743-I746 WeakPolarHBondContact O-CB 3.23Å; H743-I746 PolarHBondContact O-N 3.17Å; H743-S747 PolarHBondContact O-N 2.78Å; H743-S747 PolarHBondContact O-OG 3.29Å | ||
| 744 | L | 92.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 39.9 Ų | 39.9 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -45.3 | -47.7 | -175.3 | -77 | 139.5 | 0 | 0 | 0 | 114.8 | I746 S747 E748 D853 | L744-I746 VanDerWaalsContact C-N 3.27Å; L744-I746 PolarHBondContact O-N 3.31Å; L744-S747 PolarHBondContact O-N 3.17Å; L744-S747 VanDerWaalsContact O-N 3.14Å; L744-E748 PolarHBondContact O-N 3.12Å; L744-D853 HydrophobicContact CD2-CB 3.51Å |
| 745 | M | 93.8 | Very high | 95 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 39% | 0.394 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.3 | -37.4 | 176.8 | 179.5 | 178 | 59.3 | 0 | 0 | 113 | V707 N711 H743 T749 | V707-M745 HydrophobicContact CG1-CE 3.77Å; N711-M745 HydrophobicContact CB-CE 3.96Å; N711-M745 PolarHBondContact OD1-O 3.18Å; H743-M745 VanDerWaalsContact C-N 3.32Å; H743-M745 PolarHBondContact ND1-N 3.16Å; H743-M745 PolarHBondContact O-N 2.96Å; H743-M745 VanDerWaalsContact O-N 3.11Å; M745-T749 WeakPolarHBondContact O-CB 3.39Å; M745-T749 PolarHBondContact O-N 2.93Å; M745-T749 PolarHBondContact O-OG1 3.42Å |
| 746 | I | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.9 | -39.5 | 176.3 | -63.9 | 170.7 | 0 | 0 | 0 | 110 | V707 R710 N711 I714 A738 D742 H743 L744 E748 T749 A750 | V707-I746 HydrophobicContact CG1-CD1 3.66Å; V707-I746 HydrophobicContact CG1-CG1 4.13Å; R710-I746 HydrophobicContact CB-CD1 3.63Å; N711-I746 HydrophobicContact CB-CG1 3.78Å; N711-I746 VanDerWaalsContact OD1-CA 3.32Å; N711-I746 WeakPolarHBondContact OD1-CA 3.21Å; I714-I746 HydrophobicContact CD1-CG2 4.14Å; I714-I746 HydrophobicContact CG1-CG2 3.94Å; A738-I746 HydrophobicContact CB-CG2 4.07Å; D742-I746 HydrophobicContact CB-CB 4.24Å; D742-I746 HydrophobicContact CB-CG2 3.99Å; D742-I746 WeakPolarHBondContact OD2-CD1 3.25Å; H743-I746 HydrophobicContact CB-CD1 4.45Å; H743-I746 CarbonylContact O-C 3.53Å; H743-I746 WeakPolarHBondContact O-CA 3.38Å; H743-I746 WeakPolarHBondContact O-CB 3.23Å; H743-I746 PolarHBondContact O-N 3.17Å; L744-I746 VanDerWaalsContact C-N 3.27Å; L744-I746 PolarHBondContact O-N 3.31Å; I746-E748 PolarHBondContact O-N 2.93Å; I746-T749 PolarHBondContact O-N 2.95Å; I746-A750 VanDerWaalsContact O-CB 3.24Å; I746-A750 WeakPolarHBondContact O-CB 3.44Å; I746-A750 PolarHBondContact O-N 3.12Å |
| 747 | S | 95.4 | Very high | 95 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | A738 D742 H743 L744 L751 | A738-S747 PolarHBondContact O-OG 3.01Å; D742-S747 PolarHBondContact O-OG 2.73Å; H743-S747 PolarHBondContact O-N 2.78Å; H743-S747 PolarHBondContact O-OG 3.29Å; L744-S747 PolarHBondContact O-N 3.17Å; L744-S747 VanDerWaalsContact O-N 3.14Å; S747-L751 VanDerWaalsContact O-CB 3.29Å; S747-L751 WeakPolarHBondContact O-CB 3.25Å; S747-L751 PolarHBondContact O-N 3.34Å |
| 748 | E | 95.5 | Very high | 95.1 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.6 | -44 | 173.2 | -176.1 | 172.3 | -149.9 | 0 | 0 | 111.7 | L744 I746 L751 G752 L856 T859 | L744-E748 PolarHBondContact O-N 3.12Å; I746-E748 PolarHBondContact O-N 2.93Å; E748-L751 WeakPolarHBondContact O-CB 3.42Å; E748-L751 PolarHBondContact O-N 2.9Å; E748-G752 PolarHBondContact O-N 2.8Å; E748-L856 HydrophobicContact CB-CD1 4.35Å; E748-T859 HydrophobicContact CG-CG2 4.01Å; E748-T859 WeakPolarHBondContact OE1-CB 3.46Å; E748-T859 PolarHBondContact OE1-OG1 2.73Å |
| 749 | T | 97 | Very high | 95.2 | Very high | 31 Ų | 31 | 38 Ų | 38 | 19% | 0.19 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | N711 I714 L715 M745 I746 L751 G752 C753 | N711-T749 PolarHBondContact ND2-OG1 3.39Å; N711-T749 VanDerWaalsContact OD1-CB 3.3Å; N711-T749 WeakPolarHBondContact OD1-CB 3.08Å; N711-T749 PolarHBondContact OD1-OG1 2.95Å; I714-T749 HydrophobicContact CG2-CG2 4.04Å; L715-T749 HydrophobicContact CB-CG2 3.96Å; L715-T749 HydrophobicContact CD1-CG2 4.33Å; M745-T749 WeakPolarHBondContact O-CB 3.39Å; M745-T749 PolarHBondContact O-N 2.93Å; M745-T749 PolarHBondContact O-OG1 3.42Å; I746-T749 PolarHBondContact O-N 2.95Å; T749-L751 PolarHBondContact O-N 3.42Å; T749-G752 WeakPolarHBondContact O-CA 3.33Å; T749-G752 PolarHBondContact O-N 2.93Å; T749-G752 VanDerWaalsContact O-N 3.13Å; T749-C753 PolarHBondContact O-N 3.43Å; T749-C753 PolarHBondContact O-SG 3.47Å |
| 750 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I714 F735 A738 I746 G752 C753 I754 | I714-A750 HydrophobicContact CG2-CB 4.16Å; F735-A750 HydrophobicContact CB-CB 4.3Å; A738-A750 HydrophobicContact CB-CB 3.85Å; I746-A750 VanDerWaalsContact O-CB 3.24Å; I746-A750 WeakPolarHBondContact O-CB 3.44Å; I746-A750 PolarHBondContact O-N 3.12Å; A750-G752 VanDerWaalsContact C-N 3.34Å; A750-C753 WeakPolarHBondContact O-CB 3.31Å; A750-C753 PolarHBondContact O-N 3.37Å; A750-I754 WeakPolarHBondContact O-CG1 3.32Å; A750-I754 PolarHBondContact O-N 3.18Å |
| 751 | L | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 171.2 | 173.5 | 61 | 0 | 0 | 0 | 111.7 | M739 S747 E748 T749 C753 I754 I755 I844 L847 L856 T859 S860 | M739-L751 HydrophobicContact CG-CB 4.11Å; M739-L751 HydrophobicContact SD-CB 4.3Å; M739-L751 HydrophobicContact SD-CD1 3.84Å; S747-L751 VanDerWaalsContact O-CB 3.29Å; S747-L751 WeakPolarHBondContact O-CB 3.25Å; S747-L751 PolarHBondContact O-N 3.34Å; E748-L751 WeakPolarHBondContact O-CB 3.42Å; E748-L751 PolarHBondContact O-N 2.9Å; T749-L751 PolarHBondContact O-N 3.42Å; L751-C753 PolarHBondContact O-N 2.92Å; L751-I754 PolarHBondContact O-N 2.77Å; L751-I755 HydrophobicContact CD1-CG1 4.13Å; L751-I755 WeakPolarHBondContact O-CG1 3.48Å; L751-I755 PolarHBondContact O-N 3.4Å; L751-I844 HydrophobicContact CD1-CB 4.47Å; L751-I844 HydrophobicContact CD1-CD1 3.9Å; L751-I844 HydrophobicContact CD1-CG1 3.92Å; L751-I844 HydrophobicContact CD1-CG2 3.84Å; L751-L847 HydrophobicContact CD2-CD1 4.27Å; L751-L856 HydrophobicContact CD2-CD1 3.8Å; L751-T859 HydrophobicContact CD2-CG2 3.9Å; L751-T859 HydrophobicContact CG-CG2 4.09Å; L751-S860 VanDerWaalsContact CD2-OG 3.23Å; L751-S860 WeakPolarHBondContact CD2-OG 3.37Å |
| 752 | G | 97.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 22% | 0.216 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55 | -49.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E748 T749 A750 I754 I755 D756 | E748-G752 PolarHBondContact O-N 2.8Å; T749-G752 WeakPolarHBondContact O-CA 3.33Å; T749-G752 PolarHBondContact O-N 2.93Å; T749-G752 VanDerWaalsContact O-N 3.13Å; A750-G752 VanDerWaalsContact C-N 3.34Å; G752-I754 PolarHBondContact O-N 2.88Å; G752-I755 PolarHBondContact O-N 3.15Å; G752-D756 PolarHBondContact O-N 2.9Å |
| 753 | C | 97.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | F735 T749 A750 L751 C757 | F735-C753 HydrophobicContact CD1-CB 4.28Å; F735-C753 HydrophobicContact CD2-CB 4.21Å; F735-C753 HydrophobicContact CE1-CB 4.27Å; F735-C753 HydrophobicContact CE2-CB 4.2Å; F735-C753 HydrophobicContact CG-CB 4.27Å; F735-C753 HydrophobicContact CZ-CB 4.23Å; T749-C753 PolarHBondContact O-N 3.43Å; T749-C753 PolarHBondContact O-SG 3.47Å; A750-C753 WeakPolarHBondContact O-CB 3.31Å; A750-C753 PolarHBondContact O-N 3.37Å; L751-C753 PolarHBondContact O-N 2.92Å; C753-C757 WeakPolarHBondContact O-CB 3.26Å; C753-C757 PolarHBondContact O-N 3.28Å; C753-C757 PolarHBondContact O-SG 3.35Å |
| 754 | I | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 175.5 | -67.9 | 160.6 | 0 | 0 | 0 | 110.7 | I732 F735 Y736 M739 A750 L751 G752 D756 C757 L758 I844 | I732-I754 HydrophobicContact CD1-CG1 4.32Å; F735-I754 HydrophobicContact CB-CD1 3.93Å; F735-I754 HydrophobicContact CB-CG1 3.6Å; Y736-I754 HydrophobicContact CD1-CD1 3.84Å; Y736-I754 HydrophobicContact CD2-CD1 4.25Å; Y736-I754 HydrophobicContact CE1-CD1 3.99Å; Y736-I754 HydrophobicContact CE1-CG2 4.2Å; Y736-I754 HydrophobicContact CE2-CD1 4.38Å; Y736-I754 HydrophobicContact CE2-CG1 4.38Å; Y736-I754 HydrophobicContact CE2-CG2 4.16Å; Y736-I754 HydrophobicContact CG-CD1 3.97Å; Y736-I754 WeakPolarHBondContact OH-CG2 3.29Å; M739-I754 HydrophobicContact CB-CD1 4.36Å; M739-I754 HydrophobicContact SD-CD1 3.92Å; A750-I754 WeakPolarHBondContact O-CG1 3.32Å; A750-I754 PolarHBondContact O-N 3.18Å; L751-I754 PolarHBondContact O-N 2.77Å; G752-I754 PolarHBondContact O-N 2.88Å; I754-D756 PolarHBondContact O-N 3.42Å; I754-C757 PolarHBondContact O-N 3.41Å; I754-L758 HydrophobicContact CG2-CD1 3.97Å; I754-L758 WeakPolarHBondContact O-CG 3.29Å; I754-L758 PolarHBondContact O-N 3.47Å; I754-I844 HydrophobicContact CG2-CD1 4.01Å |
| 755 | I | 97.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | -179.2 | -71.8 | -64.9 | 0 | 0 | 0 | 111 | L751 G752 L758 L759 I844 K866 L867 | L751-I755 HydrophobicContact CD1-CG1 4.13Å; L751-I755 WeakPolarHBondContact O-CG1 3.48Å; L751-I755 PolarHBondContact O-N 3.4Å; G752-I755 PolarHBondContact O-N 3.15Å; I755-L758 PolarHBondContact O-N 3.21Å; I755-L759 HydrophobicContact CG2-CD1 3.68Å; I755-L759 HydrophobicContact CG2-CG 4.39Å; I755-L759 WeakPolarHBondContact O-CB 3.37Å; I755-L759 VanDerWaalsContact O-CG 3.26Å; I755-L759 WeakPolarHBondContact O-CG 3.27Å; I755-L759 PolarHBondContact O-N 2.77Å; I755-I844 HydrophobicContact CD1-CD1 3.92Å; I755-K866 HydrophobicContact CG2-CD 4.18Å; I755-L867 HydrophobicContact CD1-CD1 3.73Å |
| 756 | D | 96.3 | Very high | 95 | Very high | 64 Ų | 64 | 25.3 Ų | 25.3 | 34% | 0.342 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -70.2 | -35.1 | -178.7 | -70 | -14.3 | 0 | 0 | 0 | 111.7 | G752 I754 L759 I760 K866 | G752-D756 PolarHBondContact O-N 2.9Å; I754-D756 PolarHBondContact O-N 3.42Å; D756-L759 PolarHBondContact O-N 3.15Å; D756-I760 WeakPolarHBondContact O-CB 3.4Å; D756-I760 WeakPolarHBondContact O-CG1 3.3Å; D756-I760 PolarHBondContact O-N 2.94Å; D756-K866 IonicContact OD1-NZ 2.76Å; D756-K866 PolarHBondContact OD1-NZ 2.86Å |
| 757 | C | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 170.5 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | T728 I732 C753 I754 L759 I760 Y761 F766 | T728-C757 HydrophobicContact CG2-CB 3.96Å; I732-C757 HydrophobicContact CD1-CB 4.42Å; C753-C757 WeakPolarHBondContact O-CB 3.26Å; C753-C757 PolarHBondContact O-N 3.28Å; C753-C757 PolarHBondContact O-SG 3.35Å; I754-C757 PolarHBondContact O-N 3.41Å; C757-L759 VanDerWaalsContact C-N 3.34Å; C757-I760 PolarHBondContact O-N 3.18Å; C757-Y761 WeakPolarHBondContact O-CD2 3.45Å; C757-Y761 PolarHBondContact O-N 3.12Å; C757-F766 HydrophobicContact CB-CZ 4.49Å |
| 758 | L | 95.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -33.2 | 176.1 | -68.8 | 174.6 | 0 | 0 | 0 | 112.3 | I754 I755 G762 F763 F766 L840 L841 L867 | I754-L758 HydrophobicContact CG2-CD1 3.97Å; I754-L758 WeakPolarHBondContact O-CG 3.29Å; I754-L758 PolarHBondContact O-N 3.47Å; I755-L758 PolarHBondContact O-N 3.21Å; L758-G762 VanDerWaalsContact O-CA 3.23Å; L758-G762 WeakPolarHBondContact O-CA 3.44Å; L758-G762 PolarHBondContact O-N 3.04Å; L758-F763 HydrophobicContact CB-CZ 4.48Å; L758-F763 HydrophobicContact CD1-CE1 4.14Å; L758-F763 HydrophobicContact CD1-CZ 4.26Å; L758-F763 HydrophobicContact CD2-CD1 4.01Å; L758-F763 HydrophobicContact CD2-CE1 3.76Å; L758-F763 HydrophobicContact CD2-CZ 4.2Å; L758-F763 HydrophobicContact CG-CE1 4.47Å; L758-F766 HydrophobicContact CD2-CD2 4.06Å; L758-F766 HydrophobicContact CD2-CE2 3.91Å; L758-F766 HydrophobicContact CD2-CZ 4.34Å; L758-L840 HydrophobicContact CD2-CD1 4.37Å; L758-L841 HydrophobicContact CD1-CD2 4Å; L758-L867 HydrophobicContact CB-CD2 3.86Å; L758-L867 HydrophobicContact CD1-CD1 4.48Å |
| 759 | L | 94.5 | Very high | 94.3 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.5 | -33.1 | 175.3 | -79.3 | 165.8 | 0 | 0 | 0 | 113.3 | I755 D756 C757 K866 L867 Y870 R872 | I755-L759 HydrophobicContact CG2-CD1 3.68Å; I755-L759 HydrophobicContact CG2-CG 4.39Å; I755-L759 WeakPolarHBondContact O-CB 3.37Å; I755-L759 VanDerWaalsContact O-CG 3.26Å; I755-L759 WeakPolarHBondContact O-CG 3.27Å; I755-L759 PolarHBondContact O-N 2.77Å; D756-L759 PolarHBondContact O-N 3.15Å; C757-L759 VanDerWaalsContact C-N 3.34Å; L759-K866 HydrophobicContact CD1-CB 3.78Å; L759-K866 HydrophobicContact CD1-CD 3.53Å; L759-K866 HydrophobicContact CD1-CG 4.3Å; L759-K866 HydrophobicContact CD2-CB 4.02Å; L759-K866 HydrophobicContact CG-CB 4.47Å; L759-L867 HydrophobicContact CD2-CD2 3.83Å; L759-L867 HydrophobicContact CD2-CG 4.29Å; L759-L867 HydrophobicContact CG-CD2 3.82Å; L759-L867 HydrophobicContact CG-CG 4.38Å; L759-Y870 HydrophobicContact CD2-CD2 3.84Å; L759-Y870 HydrophobicContact CD2-CG 4.28Å; L759-R872 HydrophobicContact CD2-CG 4.36Å; L759-R872 PolarHBondContact O-NE 3.33Å; L759-R872 PolarHBondContact O-NH2 2.95Å |
| 760 | I | 93 | Very high | 93.9 | Very high | 81 Ų | 81 | 35.7 Ų | 35.7 | 42% | 0.415 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -84.2 | -52 | -178.5 | -70.3 | 170.4 | 0 | 0 | 0 | 111 | T722 D756 C757 R872 | T722-I760 HydrophobicContact CG2-CD1 3.61Å; D756-I760 WeakPolarHBondContact O-CB 3.4Å; D756-I760 WeakPolarHBondContact O-CG1 3.3Å; D756-I760 PolarHBondContact O-N 2.94Å; C757-I760 PolarHBondContact O-N 3.18Å; I760-R872 PolarHBondContact O-NH2 3.33Å |
| 761 | Y | 93.2 | Very high | 93.5 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -89.9 | -17.5 | -174.2 | -60.4 | -59.9 | 0 | 0 | 0 | 114.3 | C721 T722 D724 L725 T728 C757 | C721-Y761 WeakPolarHBondContact O-CE2 3.47Å; C721-Y761 PolarHBondContact O-OH 3.18Å; T722-Y761 VanDerWaalsContact C-OH 3.24Å; T722-Y761 PolarHBondContact O-OH 3.37Å; D724-Y761 PolarHBondContact N-OH 3.43Å; L725-Y761 HydrophobicContact CB-CD1 4.16Å; L725-Y761 HydrophobicContact CB-CE1 3.81Å; L725-Y761 HydrophobicContact CD1-CD1 3.97Å; L725-Y761 HydrophobicContact CD1-CD2 4.03Å; L725-Y761 HydrophobicContact CD1-CE1 4.39Å; L725-Y761 HydrophobicContact CD1-CE2 4.41Å; L725-Y761 HydrophobicContact CD1-CG 3.8Å; L725-Y761 HydrophobicContact CD2-CD1 4.46Å; L725-Y761 HydrophobicContact CG-CD1 4.43Å; T728-Y761 HydrophobicContact CG2-CD2 4.21Å; T728-Y761 HydrophobicContact CG2-CE2 4.25Å; T728-Y761 WeakPolarHBondContact OG1-CE2 3.35Å; C757-Y761 WeakPolarHBondContact O-CD2 3.45Å; C757-Y761 PolarHBondContact O-N 3.12Å |
| 762 | G | 92.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | trans | 64.3 | -166.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L758 F766 | L758-G762 VanDerWaalsContact O-CA 3.23Å; L758-G762 WeakPolarHBondContact O-CA 3.44Å; L758-G762 PolarHBondContact O-N 3.04Å; G762-F766 WeakPolarHBondContact O-CD2 3.45Å; G762-F766 WeakPolarHBondContact O-CE2 3.38Å | ||
| 763 | F | 92.3 | Very high | 92 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -92.8 | -9.6 | -172.6 | -64.4 | -95.5 | 0 | 0 | 0 | 114.8 | L758 F766 H767 V806 M833 A837 L840 L841 R872 I873 | L758-F763 HydrophobicContact CB-CZ 4.48Å; L758-F763 HydrophobicContact CD1-CE1 4.14Å; L758-F763 HydrophobicContact CD1-CZ 4.26Å; L758-F763 HydrophobicContact CD2-CD1 4.01Å; L758-F763 HydrophobicContact CD2-CE1 3.76Å; L758-F763 HydrophobicContact CD2-CZ 4.2Å; L758-F763 HydrophobicContact CG-CE1 4.47Å; F763-F766 PolarHBondContact O-N 2.72Å; F763-H767 PolarHBondContact O-N 3.4Å; F763-V806 HydrophobicContact CB-CG1 4.11Å; F763-V806 HydrophobicContact CB-CG2 4.09Å; F763-V806 HydrophobicContact CD2-CG1 3.93Å; F763-V806 HydrophobicContact CD2-CG2 4.12Å; F763-V806 HydrophobicContact CG-CG1 4.37Å; F763-V806 HydrophobicContact CG-CG2 4.1Å; F763-M833 HydrophobicContact CB-CE 3.99Å; F763-A837 HydrophobicContact CD1-CB 3.67Å; F763-A837 HydrophobicContact CE1-CB 3.83Å; F763-A837 HydrophobicContact CG-CB 4.07Å; F763-A837 HydrophobicContact CZ-CB 4.38Å; F763-L840 HydrophobicContact CD1-CD1 4.07Å; F763-L840 HydrophobicContact CE1-CD1 4.48Å; F763-L841 HydrophobicContact CE1-CD1 4.23Å; F763-L841 HydrophobicContact CE1-CD2 4.36Å; F763-L841 HydrophobicContact CE1-CG 4.13Å; F763-L841 HydrophobicContact CZ-CD1 3.98Å; F763-L841 HydrophobicContact CZ-CD2 4.25Å; F763-L841 HydrophobicContact CZ-CG 4.23Å; F763-R872 HydrophobicContact CE2-CB 4.18Å; F763-I873 HydrophobicContact CD2-CG2 4.2Å; F763-I873 HydrophobicContact CE2-CG2 3.43Å; F763-I873 VanDerWaalsContact CE2-CG2 3.43Å; F763-I873 HydrophobicContact CZ-CG2 3.75Å |
| 764 | R | 90.5 | Very high | 90.9 | Very high | 139 Ų | 139 | 43 Ų | 43 | 53% | 0.525 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66 | -50.4 | -168.8 | -169.7 | 160.8 | -175.4 | 164 | 3.3 | 113.2 | F766 H767 D768 M833 | R764-F766 PolarHBondContact O-N 2.99Å; R764-H767 WeakPolarHBondContact O-CA 3.45Å; R764-H767 WeakPolarHBondContact O-CB 3.36Å; R764-H767 PolarHBondContact O-N 2.7Å; R764-D768 WeakPolarHBondContact CG-OD2 3.39Å; R764-D768 PolarHBondContact O-N 3.01Å; R764-M833 HydrophobicContact CB-CE 3.62Å; R764-M833 HydrophobicContact CB-SD 3.82Å; R764-M833 HydrophobicContact CG-CE 4.31Å; R764-M833 HydrophobicContact CG-SD 3.82Å |
| 765 | P | 91.9 | Very high | 89.4 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -35.1 | 177.2 | -25.5 | 36.4 | 0 | 0 | 0 | 113.7 | L725 L729 H767 A769 | L725-P765 HydrophobicContact CD1-CB 3.65Å; L725-P765 HydrophobicContact CD1-CG 3.93Å; L725-P765 HydrophobicContact CD2-CB 3.88Å; L725-P765 HydrophobicContact CD2-CG 3.69Å; L725-P765 HydrophobicContact CG-CB 4.25Å; L725-P765 HydrophobicContact CG-CG 4.44Å; L729-P765 HydrophobicContact CD1-CB 4.39Å; L729-P765 HydrophobicContact CD2-CB 4.28Å; P765-H767 VanDerWaalsContact C-N 3.32Å; P765-A769 VanDerWaalsContact O-CB 3.31Å; P765-A769 WeakPolarHBondContact O-CB 3.4Å; P765-A769 PolarHBondContact O-N 2.9Å |
| 766 | F | 93.3 | Very high | 87 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.3 | -23.5 | 177.7 | -53.7 | -87.8 | 0 | 0 | 0 | 113 | T728 L729 I732 C757 L758 G762 F763 R764 N770 I771 L840 | T728-F766 HydrophobicContact CG2-CE1 3.87Å; T728-F766 HydrophobicContact CG2-CZ 3.73Å; L729-F766 HydrophobicContact CD2-CD1 3.78Å; L729-F766 HydrophobicContact CD2-CE1 4.09Å; L729-F766 HydrophobicContact CD2-CG 4.26Å; I732-F766 HydrophobicContact CB-CE1 4.27Å; I732-F766 HydrophobicContact CD1-CE1 4.03Å; I732-F766 HydrophobicContact CG1-CD1 4.4Å; I732-F766 HydrophobicContact CG1-CE1 3.91Å; I732-F766 HydrophobicContact CG2-CE1 4.44Å; C757-F766 HydrophobicContact CB-CZ 4.49Å; L758-F766 HydrophobicContact CD2-CD2 4.06Å; L758-F766 HydrophobicContact CD2-CE2 3.91Å; L758-F766 HydrophobicContact CD2-CZ 4.34Å; G762-F766 WeakPolarHBondContact O-CD2 3.45Å; G762-F766 WeakPolarHBondContact O-CE2 3.38Å; F763-F766 PolarHBondContact O-N 2.72Å; R764-F766 PolarHBondContact O-N 2.99Å; F766-N770 PolarHBondContact O-N 2.98Å; F766-I771 HydrophobicContact CB-CB 4.29Å; F766-I771 HydrophobicContact CB-CG1 4.15Å; F766-I771 HydrophobicContact CD1-CG1 4.14Å; F766-I771 PolarHBondContact O-N 3.15Å; F766-L840 HydrophobicContact CB-CD1 3.79Å; F766-L840 HydrophobicContact CG-CD1 4.31Å |
| 767 | H | 90.6 | Very high | 84.4 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -78 | -48.1 | 170.8 | 176.9 | 46.5 | 0 | 0 | 0 | 111 | F763 R764 P765 A769 N770 M833 T836 | F763-H767 PolarHBondContact O-N 3.4Å; R764-H767 WeakPolarHBondContact O-CA 3.45Å; R764-H767 WeakPolarHBondContact O-CB 3.36Å; R764-H767 PolarHBondContact O-N 2.7Å; P765-H767 VanDerWaalsContact C-N 3.32Å; H767-A769 PolarHBondContact O-N 3.16Å; H767-N770 WeakPolarHBondContact O-CA 3.21Å; H767-N770 PolarHBondContact O-N 3.46Å; H767-M833 HydrophobicContact CB-CG 3.96Å; H767-M833 WeakPolarHBondContact CD2-CG 3.14Å; H767-T836 HydrophobicContact CB-CG2 4Å; H767-T836 PolarHBondContact ND1-OG1 3.15Å |
| 768 | D | 90.2 | Very high | 81.2 | Confident | 109 Ų | 109 | 64.2 Ų | 64.2 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.3 | -33.4 | -179.6 | -56.2 | -20.9 | 0 | 0 | 0 | 111.1 | R764 | R764-D768 WeakPolarHBondContact CG-OD2 3.39Å; R764-D768 PolarHBondContact O-N 3.01Å |
| 769 | A | 90 | Very high | 78.1 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 8.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L729 P765 H767 I771 | L729-A769 HydrophobicContact CD1-CB 4.25Å; L729-A769 HydrophobicContact CD2-CB 4.16Å; P765-A769 VanDerWaalsContact O-CB 3.31Å; P765-A769 WeakPolarHBondContact O-CB 3.4Å; P765-A769 PolarHBondContact O-N 2.9Å; H767-A769 PolarHBondContact O-N 3.16Å; A769-I771 HydrophobicContact CB-CD1 4.07Å; A769-I771 HydrophobicContact CB-CG1 4.08Å; A769-I771 PolarHBondContact O-N 3.25Å; A769-I771 VanDerWaalsContact O-N 3.08Å |
| 770 | N | 89.3 | Confident | 74.9 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 35.4 | 179.4 | -168 | 22.9 | 0 | 0 | 0 | 115.7 | F766 H767 N772 R839 | F766-N770 PolarHBondContact O-N 2.98Å; H767-N770 WeakPolarHBondContact O-CA 3.21Å; H767-N770 PolarHBondContact O-N 3.46Å; N770-N772 PolarHBondContact O-N 3.47Å; N770-R839 PolarHBondContact O-NH1 3.06Å; N770-R839 PolarHBondContact OD1-NH1 3.49Å; N770-R839 PolarHBondContact OD1-NH2 3.3Å |
| 771 | I | 88 | Confident | 71.7 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | trans | -56 | 134.5 | -172.3 | -61.7 | -65.5 | 0 | 0 | 0 | 111.9 | L729 I732 F766 A769 R839 L840 | L729-I771 HydrophobicContact CD2-CD1 4.28Å; L729-I771 HydrophobicContact CD2-CG1 4.11Å; I732-I771 HydrophobicContact CG2-CD1 4.31Å; I732-I771 HydrophobicContact CG2-CG2 3.81Å; F766-I771 HydrophobicContact CB-CB 4.29Å; F766-I771 HydrophobicContact CB-CG1 4.15Å; F766-I771 HydrophobicContact CD1-CG1 4.14Å; F766-I771 PolarHBondContact O-N 3.15Å; A769-I771 HydrophobicContact CB-CD1 4.07Å; A769-I771 HydrophobicContact CB-CG1 4.08Å; A769-I771 PolarHBondContact O-N 3.25Å; A769-I771 VanDerWaalsContact O-N 3.08Å; I771-R839 WeakPolarHBondContact O-CD 3.44Å; I771-R839 PolarHBondContact O-NH1 3Å; I771-L840 HydrophobicContact CG2-CD2 3.96Å | ||
| 772 | N | 85.2 | Confident | 68.5 | Low | 58 Ų | 58 | 81 Ų | 81 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | trans | -125.7 | 111.3 | -179.7 | -175.9 | -1.4 | 0 | 0 | 0 | 111.2 | H733 N770 N774 S775 | H733-N772 PolarHBondContact CE1-O 2.97Å; H733-N772 PolarHBondContact ND1-O 3.16Å; N770-N772 PolarHBondContact O-N 3.47Å; N772-N774 PolarHBondContact O-N 2.65Å; N772-N774 PolarHBondContact OD1-N 3.29Å; N772-N774 VanDerWaalsContact OD1-N 3.16Å; N772-S775 PolarHBondContact O-N 3.49Å; N772-S775 VanDerWaalsContact O-N 3.08Å; N772-S775 PolarHBondContact O-OG 3.34Å | ||
| 773 | P | 78.9 | Confident | 65.4 | Low | 8 Ų | 8 | 88.6 Ų | 88.6 | 5% | 0.052 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 4.9 | -177.5 | 32 | -36.8 | 0 | 0 | 0 | 114.3 | Y736 R740 R839 L840 P843 | Y736-P773 HydrophobicContact CD1-CB 3.63Å; Y736-P773 HydrophobicContact CD2-CB 3.77Å; Y736-P773 HydrophobicContact CE1-CB 3.9Å; Y736-P773 HydrophobicContact CE2-CB 4.04Å; Y736-P773 HydrophobicContact CG-CB 3.58Å; R740-P773 PolarHBondContact NH1-O 2.98Å; P773-R839 WeakPolarHBondContact CG-O 3.45Å; P773-L840 HydrophobicContact CG-CD2 4.42Å; P773-P843 HydrophobicContact CB-CG 4.38Å; P773-P843 HydrophobicContact CG-CG 4.14Å |
| 774 | N | 73.9 | Confident | 62.4 | Low | 107 Ų | 107 | 95.2 Ų | 95.2 | 57% | 0.572 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -16 | 171.5 | -68.7 | -47.6 | 0 | 0 | 0 | 114.2 | R740 N772 R776 | R740-N774 PolarHBondContact NH1-OD1 3.29Å; N772-N774 PolarHBondContact O-N 2.65Å; N772-N774 PolarHBondContact OD1-N 3.29Å; N772-N774 VanDerWaalsContact OD1-N 3.16Å; N774-R776 PolarHBondContact O-N 2.91Å |
| 775 | S | 64.3 | Low | 59.5 | Low | 51 Ų | 51 | 93.9 Ų | 93.9 | 36% | 0.357 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 120 | 179.5 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | H733 N772 | H733-S775 PolarHBondContact CE1-OG 3.15Å; H733-S775 PolarHBondContact ND1-O 3.04Å; H733-S775 PolarHBondContact ND1-OG 3.41Å; N772-S775 PolarHBondContact O-N 3.49Å; N772-S775 VanDerWaalsContact O-N 3.08Å; N772-S775 PolarHBondContact O-OG 3.34Å |
| 776 | R | 47.3 | Very low | 56.4 | Low | 238 Ų | 238 | 100.4 Ų | 100.4 | 90% | 0.898 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 133.3 | 156.8 | -68.3 | 179.4 | 173.6 | 179.6 | -3 | 107.1 | N774 V778 | N774-R776 PolarHBondContact O-N 2.91Å; R776-V778 PolarHBondContact O-N 3.48Å |
| 777 | L | 42.2 | Very low | 53.3 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 125.9 | 166.9 | -85.4 | 112.3 | 0 | 0 | 0 | 108.7 | H733 | H733-L777 HydrophobicContact CB-CD1 3.85Š|
| 778 | V | 28 | Very low | 50.3 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 70% | 0.697 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 141 | 147.4 | -176.4 | 0 | 0 | 0 | 0 | 105.9 | R776 T780 | R776-V778 PolarHBondContact O-N 3.48Å; V778-T780 PolarHBondContact O-N 2.55Å |
| 779 | P | 31.1 | Very low | 47.6 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 75% | 0.747 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 134.6 | 172 | -24.4 | 35.1 | 0 | 0 | 0 | 110.8 | D781 | P779-D781 PolarHBondContact O-N 3.23Å; P779-D781 VanDerWaalsContact O-N 3.1Å |
| 780 | T | 28.1 | Very low | 44.7 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -81.4 | 92.1 | -174.7 | -51.2 | 0 | 0 | 0 | 0 | 111 | V778 | V778-T780 PolarHBondContact O-N 2.55Š|
| 781 | D | 25.4 | Very low | 41.9 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | trans | -158.8 | 87.7 | 144.3 | -103.6 | -33.8 | 0 | 0 | 0 | 112.1 | P779 | P779-D781 PolarHBondContact O-N 3.23Å; P779-D781 VanDerWaalsContact O-N 3.1Å | ||
| 782 | T | 26.5 | Very low | 39.4 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | trans | -158.2 | 132.4 | 156.7 | -22 | 0 | 0 | 0 | 0 | 110.4 | I784 | T782-I784 HydrophobicContact CG2-CD1 4.18Å; T782-I784 HydrophobicContact CG2-CG1 4.11Å | ||
| 783 | I | 26.9 | Very low | 37 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 84% | 0.841 | 72% | 0.718 | S | S | * | * | trans | -96.5 | 105 | 172.1 | -60.4 | 174 | 0 | 0 | 0 | 108.4 | ||||
| 784 | I | 29.1 | Very low | 34.9 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -131.8 | 97.9 | 169.2 | -51.3 | -179.5 | 0 | 0 | 0 | 103.9 | T782 | T782-I784 HydrophobicContact CG2-CD1 4.18Å; T782-I784 HydrophobicContact CG2-CG1 4.11Å | ||
| 785 | V | 28.6 | Very low | 32.8 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | 64.4 | 123.3 | 80.4 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | E787 | V785-E787 PolarHBondContact O-N 3.17Š| |||
| 786 | D | 27.7 | Very low | 31.1 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 118.4 | -175.2 | -41.2 | -100.3 | 0 | 0 | 0 | 112 | ||||
| 787 | E | 28.4 | Very low | 30.5 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -135.3 | 149.9 | 155.2 | -69.7 | -161.8 | 152.3 | 0 | 0 | 108.9 | V785 D789 | V785-E787 PolarHBondContact O-N 3.17Å; E787-D789 PolarHBondContact O-N 2.93Å | ||
| 788 | D | 28.2 | Very low | 30 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -82 | 112.2 | -165.1 | -54.3 | -87.9 | 0 | 0 | 0 | 113.5 | D790 | D788-D790 VanDerWaalsContact C-N 3.33Å; D788-D790 PolarHBondContact O-N 3.38Å | ||
| 789 | D | 32.6 | Very low | 30.2 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 95% | 0.947 | 76% | 0.764 | S | S | * | * | trans | -76.5 | 81.2 | 165 | -100.6 | -22.6 | 0 | 0 | 0 | 110.1 | E787 | E787-D789 PolarHBondContact O-N 2.93Š| ||
| 790 | D | 28.8 | Very low | 30.6 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -69.2 | 131.4 | 172.6 | -90.2 | -30.6 | 0 | 0 | 0 | 112.5 | D788 | D788-D790 VanDerWaalsContact C-N 3.33Å; D788-D790 PolarHBondContact O-N 3.38Å | ||
| 791 | D | 30.9 | Very low | 31.6 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 47.3 | 71.5 | 148.2 | -74.9 | -23 | 0 | 0 | 0 | 120.6 | ||||
| 792 | E | 34.3 | Very low | 32.8 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -109.1 | 86.9 | 142.1 | -80.6 | -140 | 161.7 | 0 | 0 | 112.3 | ||
| 793 | E | 35.2 | Very low | 34.7 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | trans | 47 | 72.2 | 160 | -57.4 | -157.9 | 152.2 | 0 | 0 | 118.5 | Q795 | E793-Q795 HydrophobicContact CB-CB 4.16Å; E793-Q795 HydrophobicContact CB-CG 4Å; E793-Q795 VanDerWaalsContact CD-NE2 3.25Å; E793-Q795 HydrophobicContact CG-CG 4.06Å; E793-Q795 PolarHBondContact O-N 2.91Å; E793-Q795 PolarHBondContact OE1-NE2 3.42Å | ||
| 794 | E | 34.8 | Very low | 36.8 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 95% | 0.953 | 69% | 0.691 | S | S | * | * | trans | -69.9 | 34.3 | 149.3 | -149.6 | -174.7 | -148.7 | 0 | 0 | 111.6 | N796 | E794-N796 PolarHBondContact O-N 3.35Š| ||
| 795 | Q | 29.9 | Very low | 39.1 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 58% | 0.575 | 66% | 0.66 | S | S | * | * | trans | -72.2 | 104.3 | -170.6 | -79.5 | -164.6 | 41.2 | 0 | 0 | 112.3 | E793 I797 | E793-Q795 HydrophobicContact CB-CB 4.16Å; E793-Q795 HydrophobicContact CB-CG 4Å; E793-Q795 VanDerWaalsContact CD-NE2 3.25Å; E793-Q795 HydrophobicContact CG-CG 4.06Å; E793-Q795 PolarHBondContact O-N 2.91Å; E793-Q795 PolarHBondContact OE1-NE2 3.42Å; Q795-I797 VanDerWaalsContact C-N 3.27Å; Q795-I797 PolarHBondContact O-N 3.34Å | ||
| 796 | N | 28.6 | Very low | 41.5 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | trans | 61.2 | 30.3 | 140.5 | -156.7 | 10 | 0 | 0 | 0 | 115.1 | E794 K798 | E794-N796 PolarHBondContact O-N 3.35Å; N796-K798 PolarHBondContact O-N 2.94Å; N796-K798 WeakPolarHBondContact OD1-CE 3.27Å | ||
| 797 | I | 34.2 | Very low | 43.8 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | trans | -67.6 | 79.6 | 164.3 | -60.1 | -175.9 | 0 | 0 | 0 | 108.5 | Q795 A799 | Q795-I797 VanDerWaalsContact C-N 3.27Å; Q795-I797 PolarHBondContact O-N 3.34Å; I797-A799 HydrophobicContact CG2-CB 3.48Å; I797-A799 VanDerWaalsContact CG2-CB 3.48Å; I797-A799 PolarHBondContact O-N 3.26Å | ||
| 798 | K | 31.7 | Very low | 45.7 | Very low | 185 Ų | 185 | 109.2 Ų | 109.2 | 80% | 0.804 | 56% | 0.556 | S | S | * | * | trans | -72.6 | 39.6 | 161.4 | -69.1 | -178.5 | -179.6 | 173.9 | 0 | 111.1 | N796 S800 | N796-K798 PolarHBondContact O-N 2.94Å; N796-K798 WeakPolarHBondContact OD1-CE 3.27Å; K798-S800 PolarHBondContact O-N 3.02Å | ||
| 799 | A | 32.6 | Very low | 47.6 | Very low | 47 Ų | 47 | 108.9 Ų | 108.9 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | trans | -62 | 136 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | I797 K801 H802 | I797-A799 HydrophobicContact CG2-CB 3.48Å; I797-A799 VanDerWaalsContact CG2-CB 3.48Å; I797-A799 PolarHBondContact O-N 3.26Å; A799-K801 PolarHBondContact O-N 3.33Å; A799-H802 VanDerWaalsContact CB-CE1 3.48Å; A799-H802 WeakPolarHBondContact CB-CE1 3.18Å | ||
| 800 | S | 39.9 | Very low | 48.7 | Very low | 108 Ų | 108 | 106.2 Ų | 106.2 | 76% | 0.755 | 53% | 0.525 | S | S | * | . | trans | -58.3 | 110.5 | 177.6 | 51.6 | 0 | 0 | 0 | 0 | 109.7 | K798 H802 | K798-S800 PolarHBondContact O-N 3.02Å; S800-H802 WeakPolarHBondContact O-CA 3.31Å; S800-H802 PolarHBondContact O-N 2.89Å; S800-H802 PolarHBondContact O-ND1 2.98Å | ||
| 801 | K | 48.6 | Very low | 49.5 | Very low | 201 Ų | 201 | 104.9 Ų | 104.9 | 87% | 0.874 | 52% | 0.522 | S | S | * | . | trans | 0.2 | 88.9 | 169.5 | -171.7 | -176.7 | -177.1 | -174.6 | 0 | 111.9 | A799 D803 | A799-K801 PolarHBondContact O-N 3.33Å; K801-D803 PolarHBondContact O-N 2.66Å | ||
| 802 | H | 51.4 | Low | 49.8 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | trans | -56.1 | 111.8 | -165.8 | -78.9 | -21.2 | 0 | 0 | 0 | 111.3 | A799 S800 Y804 Y838 | A799-H802 VanDerWaalsContact CB-CE1 3.48Å; A799-H802 WeakPolarHBondContact CB-CE1 3.18Å; S800-H802 WeakPolarHBondContact O-CA 3.31Å; S800-H802 PolarHBondContact O-N 2.89Å; S800-H802 PolarHBondContact O-ND1 2.98Å; H802-Y804 HydrophobicContact CB-CD2 4.2Å; H802-Y804 PolarHBondContact O-N 2.88Å; H802-Y838 AromaticContact CD2-CD2 3.56Å; H802-Y838 AromaticContact CD2-CE1 3.84Å; H802-Y838 AromaticContact CD2-CE2 3.27Å; H802-Y838 WeakPolarHBondContact CD2-CE2 3.27Å; H802-Y838 AromaticContact CD2-CG 3.95Å; H802-Y838 AromaticContact CD2-CZ 3.41Å; H802-Y838 VanDerWaalsContact CD2-CZ 3.41Å; H802-Y838 AromaticContact NE2-CE1 3.97Å; H802-Y838 AromaticContact NE2-CE2 3.28Å; H802-Y838 VanDerWaalsContact NE2-CE2 3.28Å; H802-Y838 WeakPolarHBondContact NE2-CE2 3.15Å; H802-Y838 AromaticContact NE2-CZ 3.21Å; H802-Y838 PolarHBondContact NE2-OH 3.43Å | ||
| 803 | D | 65.6 | Low | 50.1 | Low | 61 Ų | 61 | 100.9 Ų | 100.9 | 33% | 0.326 | 51% | 0.51 | S | S | . | . | trans | -78.6 | 63 | -174.7 | -167.6 | 61.7 | 0 | 0 | 0 | 110 | K801 S875 S876 | K801-D803 PolarHBondContact O-N 2.66Å; D803-S875 WeakPolarHBondContact O-CA 3.4Å; D803-S875 WeakPolarHBondContact O-CB 3.45Å; D803-S875 PolarHBondContact O-OG 2.99Å; D803-S876 VanDerWaalsContact OD2-CB 3.22Å; D803-S876 WeakPolarHBondContact OD2-CB 3.36Å; D803-S876 PolarHBondContact OD2-N 2.98Å; D803-S876 PolarHBondContact OD2-OG 3.14Å | ||
| 804 | Y | 71 | Confident | 50.1 | Low | 6 Ų | 6 | 101.8 Ų | 101.8 | 2% | 0.024 | 52% | 0.52 | C | S | . | . | trans | -111.9 | 126.9 | 168.3 | -75 | -112.8 | 0 | 0 | 0 | 105.9 | H802 S834 Y838 L841 H877 I878 | H802-Y804 HydrophobicContact CB-CD2 4.2Å; H802-Y804 PolarHBondContact O-N 2.88Å; Y804-S834 WeakPolarHBondContact O-CB 3.23Å; Y804-S834 PolarHBondContact O-OG 2.72Å; Y804-Y838 HydrophobicContact CD2-CD2 4.11Å; Y804-Y838 AromaticContact CE2-CD2 3.72Å; Y804-Y838 HydrophobicContact CE2-CD2 3.72Å; Y804-Y838 HydrophobicContact CE2-CE2 4.42Å; Y804-Y838 AromaticContact CZ-CD2 3.97Å; Y804-L841 HydrophobicContact CD1-CD1 4.29Å; Y804-L841 HydrophobicContact CE1-CB 4.17Å; Y804-L841 HydrophobicContact CE1-CD1 4.04Å; Y804-H877 AromaticContact CE2-CD2 3.94Å; Y804-I878 HydrophobicContact CD1-CD1 4.3Å; Y804-I878 HydrophobicContact CE1-CD1 3.61Å; Y804-I878 HydrophobicContact CE1-CG1 4.3Å | ||
| 805 | V | 78.1 | Confident | 49.9 | Very low | 12 Ų | 12 | 96.4 Ų | 96.4 | 7% | 0.073 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 122.6 | 171.6 | 167.2 | 0 | 0 | 0 | 0 | 107.9 | L807 R829 S834 I873 V874 | V805-L807 HydrophobicContact CG1-CD2 4.36Å; V805-R829 HydrophobicContact CG1-CB 3.86Å; V805-R829 HydrophobicContact CG1-CG 3.79Å; V805-S834 WeakPolarHBondContact CA-OG 3.38Å; V805-I873 CarbonylContact O-C 3.54Å; V805-I873 WeakPolarHBondContact O-CA 3.49Å; V805-V874 HydrophobicContact CB-CB 4.49Å; V805-V874 PolarHBondContact N-O 3.46Å; V805-V874 PolarHBondContact O-N 3.33Å |
| 806 | V | 79.6 | Confident | 50.1 | Low | 1 Ų | 1 | 98.8 Ų | 98.8 | 1% | 0.006 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 135.4 | 168.5 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | F763 T808 C830 M833 A837 | F763-V806 HydrophobicContact CB-CG1 4.11Å; F763-V806 HydrophobicContact CB-CG2 4.09Å; F763-V806 HydrophobicContact CD2-CG1 3.93Å; F763-V806 HydrophobicContact CD2-CG2 4.12Å; F763-V806 HydrophobicContact CG-CG1 4.37Å; F763-V806 HydrophobicContact CG-CG2 4.1Å; V806-T808 HydrophobicContact CG1-CG2 4.25Å; V806-C830 PolarHBondContact O-N 2.96Å; V806-M833 HydrophobicContact CB-CB 4.22Å; V806-M833 HydrophobicContact CB-CE 4.13Å; V806-M833 HydrophobicContact CG1-CE 3.54Å; V806-M833 HydrophobicContact CG2-CB 4.02Å; V806-A837 HydrophobicContact CG2-CB 3.48Å; V806-A837 VanDerWaalsContact CG2-CB 3.48Å |
| 807 | L | 75.2 | Confident | 50.3 | Low | 11 Ų | 11 | 100.4 Ų | 100.4 | 6% | 0.058 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.3 | 168.6 | -64.5 | 175.6 | 0 | 0 | 0 | 109.4 | V805 L827 R829 D871 R872 V874 | V805-L807 HydrophobicContact CG1-CD2 4.36Å; L807-L827 HydrophobicContact CB-CD2 4.14Å; L807-L827 HydrophobicContact CD1-CD2 3.99Å; L807-R829 HydrophobicContact CD2-CG 4.23Å; L807-D871 WeakPolarHBondContact CB-O 3.37Å; L807-D871 HydrophobicContact CD1-CB 4.2Å; L807-R872 PolarHBondContact N-O 3.04Å; L807-V874 HydrophobicContact CD1-CG2 3.53Å; L807-V874 HydrophobicContact CG-CG2 4.08Å |
| 808 | T | 69.7 | Low | 50.2 | Low | 27 Ų | 27 | 102.9 Ų | 102.9 | 17% | 0.166 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.8 | 171 | 69.6 | 0 | 0 | 0 | 0 | 109.9 | V806 L827 V828 C830 M833 | V806-T808 HydrophobicContact CG1-CG2 4.25Å; T808-L827 CarbonylContact O-C 3.58Å; T808-L827 WeakPolarHBondContact O-CA 3.04Å; T808-V828 PolarHBondContact N-O 3.24Å; T808-V828 PolarHBondContact O-N 3.42Å; T808-C830 HydrophobicContact CG2-CB 4.29Å; T808-C830 PolarHBondContact OG1-SG 3.23Å; T808-M833 HydrophobicContact CG2-CE 3.74Å; T808-M833 HydrophobicContact CG2-SD 4.26Å |
| 809 | R | 66.6 | Low | 50.3 | Low | 144 Ų | 144 | 99.5 Ų | 99.5 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.6 | 172.4 | -71.8 | -176.7 | 179.1 | -176 | -1.5 | 108.9 | T811 L827 | R809-T811 PolarHBondContact O-N 2.76Å; R809-T811 VanDerWaalsContact O-N 3.12Å; R809-L827 HydrophobicContact CG-CD1 3.72Å; R809-L827 HydrophobicContact CG-CG 3.99Å |
| 810 | Q | 56.1 | Low | 50.3 | Low | 122 Ų | 122 | 106 Ų | 106 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | trans | -69.4 | 107.4 | 167.8 | -91 | -175.3 | -27 | 0 | 0 | 109.9 | I826 V828 | Q810-I826 PolarHBondContact N-O 3.1Å; Q810-V828 HydrophobicContact CB-CG2 4.48Å; Q810-V828 HydrophobicContact CG-CG2 3.81Å | ||
| 811 | T | 45.6 | Very low | 49.9 | Very low | 110 Ų | 110 | 106.4 Ų | 106.4 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | trans | -74.1 | 130.8 | 156.9 | 46.9 | 0 | 0 | 0 | 0 | 108.5 | R809 Q813 | R809-T811 PolarHBondContact O-N 2.76Å; R809-T811 VanDerWaalsContact O-N 3.12Å; T811-Q813 PolarHBondContact O-N 2.87Å | ||
| 812 | S | 37.4 | Very low | 49.1 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 76% | 0.755 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 63.8 | -169.7 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 813 | Q | 40.8 | Very low | 48.6 | Very low | 159 Ų | 159 | 105.7 Ų | 105.7 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -30.9 | -179.3 | -134.9 | 79.2 | 13.4 | 0 | 0 | 112.8 | T811 | T811-Q813 PolarHBondContact O-N 2.87Š|
| 814 | D | 34.7 | Very low | 47.6 | Very low | 165 Ų | 165 | 108.5 Ų | 108.5 | 88% | 0.882 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -96.3 | 8 | -167.8 | -64 | -35.7 | 0 | 0 | 0 | 115.1 | ||
| 815 | S | 31 | Very low | 46.7 | Very low | 91 Ų | 91 | 109.5 Ų | 109.5 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | trans | -139.1 | 109.7 | -179.6 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | D817 | S815-D817 PolarHBondContact O-N 3.14Å; S815-D817 VanDerWaalsContact O-N 3.1Å | ||
| 816 | I | 34 | Very low | 45.9 | Very low | 173 Ų | 173 | 115 Ų | 115 | 89% | 0.887 | 63% | 0.631 | S | S | * | * | trans | -77.1 | 90.9 | 170.6 | -55.2 | 173.2 | 0 | 0 | 0 | 108.7 | ||||
| 817 | D | 32 | Very low | 45.3 | Very low | 156 Ų | 156 | 116.8 Ų | 116.8 | 83% | 0.834 | 64% | 0.64 | S | S | * | * | trans | -156 | 136.8 | 150.3 | -118.1 | -30.4 | 0 | 0 | 0 | 111.5 | S815 | S815-D817 PolarHBondContact O-N 3.14Å; S815-D817 VanDerWaalsContact O-N 3.1Å | ||
| 818 | Q | 32.2 | Very low | 45.2 | Very low | 195 Ų | 195 | 118.6 Ų | 118.6 | 91% | 0.911 | 65% | 0.652 | S | S | * | * | trans | -95.1 | 105.8 | -171.5 | -69.4 | -177.3 | -4.3 | 0 | 0 | 112 | ||||
| 819 | S | 34.2 | Very low | 45.5 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | trans | -142.4 | 148.1 | 156.6 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 820 | H | 33 | Very low | 46.1 | Very low | 183 Ų | 183 | 116.6 Ų | 116.6 | 85% | 0.847 | 64% | 0.644 | S | S | * | * | trans | -91.6 | 161.1 | -164.1 | -72.9 | -84.2 | 0 | 0 | 0 | 114.3 | ||||
| 821 | S | 31.3 | Very low | 47.1 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | 70.3 | 81.4 | 158.7 | 56.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 822 | N | 32.2 | Very low | 48.7 | Very low | 142 Ų | 142 | 118.1 Ų | 118.1 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | -152.5 | 131.6 | 116.2 | -137.3 | -1.9 | 0 | 0 | 0 | 110.3 | |||||
| 823 | P | 40.3 | Very low | 50.9 | Low | 122 Ų | 122 | 113.1 Ų | 113.1 | 79% | 0.792 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -85.8 | -5 | -174.6 | 33.6 | -35.3 | 0 | 0 | 0 | 114.5 | ||
| 824 | L | 45.3 | Very low | 53.1 | Low | 119 Ų | 119 | 106.3 Ų | 106.3 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -92.3 | 107.5 | 165.5 | -83.7 | 71.9 | 0 | 0 | 0 | 108 | ||
| 825 | G | 51.7 | Low | 55.5 | Low | 27 Ų | 27 | 106.8 Ų | 106.8 | 28% | 0.278 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 137.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 826 | I | 62.3 | Low | 58.3 | Low | 129 Ų | 129 | 102.6 Ų | 102.6 | 66% | 0.662 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 137.9 | -177.2 | -67.3 | 170.8 | 0 | 0 | 0 | 110.1 | Q810 V828 | Q810-I826 PolarHBondContact N-O 3.1Å; I826-V828 HydrophobicContact CG2-CG2 4.49Å |
| 827 | L | 66.7 | Low | 61 | Low | 38 Ų | 38 | 94.4 Ų | 94.4 | 20% | 0.199 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134 | 172.8 | -81.8 | 75.6 | 0 | 0 | 0 | 110.3 | L807 T808 R809 D871 | L807-L827 HydrophobicContact CB-CD2 4.14Å; L807-L827 HydrophobicContact CD1-CD2 3.99Å; T808-L827 CarbonylContact O-C 3.58Å; T808-L827 WeakPolarHBondContact O-CA 3.04Å; R809-L827 HydrophobicContact CG-CD1 3.72Å; R809-L827 HydrophobicContact CG-CG 3.99Å; L827-D871 HydrophobicContact CD2-CB 3.48Å; L827-D871 VanDerWaalsContact CD2-CB 3.48Å |
| 828 | V | 73.1 | Confident | 63.7 | Low | 49 Ų | 49 | 89.6 Ų | 89.6 | 30% | 0.297 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.8 | -178 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | T808 Q810 I826 | T808-V828 PolarHBondContact N-O 3.24Å; T808-V828 PolarHBondContact O-N 3.42Å; Q810-V828 HydrophobicContact CB-CG2 4.48Å; Q810-V828 HydrophobicContact CG-CG2 3.81Å; I826-V828 HydrophobicContact CG2-CG2 4.49Å |
| 829 | R | 76 | Confident | 66.5 | Low | 109 Ų | 109 | 84.3 Ų | 84.3 | 41% | 0.411 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 126.3 | 171.2 | -56.9 | -179.9 | 99.4 | 90.8 | 7.9 | 109.1 | V805 L807 E920 | V805-R829 HydrophobicContact CG1-CB 3.86Å; V805-R829 HydrophobicContact CG1-CG 3.79Å; L807-R829 HydrophobicContact CD2-CG 4.23Å; R829-E920 IonicContact CZ-OE1 2.71Å; R829-E920 IonicContact CZ-OE2 2.67Å; R829-E920 IonicContact NH1-OE1 2.57Å; R829-E920 PolarHBondContact NH1-OE1 2.83Å; R829-E920 IonicContact NH1-OE2 3.21Å; R829-E920 PolarHBondContact NH1-OE2 2.87Å; R829-E920 IonicContact NH2-OE2 3.18Å |
| 830 | C | 79.1 | Confident | 69.3 | Low | 20 Ų | 20 | 78.9 Ų | 78.9 | 14% | 0.135 | 41% | 0.408 | C | S | . | . | trans | -111 | 77.9 | 173.9 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | V806 T808 E832 M833 S834 | V806-C830 PolarHBondContact O-N 2.96Å; T808-C830 HydrophobicContact CG2-CB 4.29Å; T808-C830 PolarHBondContact OG1-SG 3.23Å; C830-E832 PolarHBondContact O-N 3.13Å; C830-M833 HydrophobicContact CB-CB 4.24Å; C830-M833 HydrophobicContact CB-CE 4.28Å; C830-M833 HydrophobicContact CB-CG 4.21Å; C830-M833 HydrophobicContact CB-SD 3.62Å; C830-M833 WeakPolarHBondContact O-CB 3.47Å; C830-M833 PolarHBondContact O-N 3.21Å; C830-S834 PolarHBondContact O-N 3.22Å | ||
| 831 | D | 76.6 | Confident | 72.2 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -59.8 | -27.7 | -175.2 | -70.8 | -5.9 | 0 | 0 | 0 | 113.2 | M833 S834 | D831-M833 VanDerWaalsContact C-N 3.33Å; D831-M833 PolarHBondContact O-N 3.06Å; D831-S834 VanDerWaalsContact O-CB 3.28Å; D831-S834 WeakPolarHBondContact O-CB 3.32Å; D831-S834 PolarHBondContact O-N 2.94Å; D831-S834 PolarHBondContact O-OG 2.93Å |
| 832 | E | 79.4 | Confident | 75.1 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 74% | 0.738 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -59.6 | -43.6 | 173.9 | -62.2 | 172.1 | 152.5 | 0 | 0 | 111.5 | C830 S834 | C830-E832 PolarHBondContact O-N 3.13Å; E832-S834 VanDerWaalsContact C-N 3.27Å; E832-S834 PolarHBondContact O-N 3.07Å |
| 833 | M | 84.3 | Confident | 77.9 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -75.2 | -12.9 | -179.1 | -67.5 | 165.3 | 41.1 | 0 | 0 | 113.1 | F763 R764 H767 V806 T808 C830 D831 K835 T836 A837 | F763-M833 HydrophobicContact CB-CE 3.99Å; R764-M833 HydrophobicContact CB-CE 3.62Å; R764-M833 HydrophobicContact CB-SD 3.82Å; R764-M833 HydrophobicContact CG-CE 4.31Å; R764-M833 HydrophobicContact CG-SD 3.82Å; H767-M833 HydrophobicContact CB-CG 3.96Å; H767-M833 WeakPolarHBondContact CD2-CG 3.14Å; V806-M833 HydrophobicContact CB-CB 4.22Å; V806-M833 HydrophobicContact CB-CE 4.13Å; V806-M833 HydrophobicContact CG1-CE 3.54Å; V806-M833 HydrophobicContact CG2-CB 4.02Å; T808-M833 HydrophobicContact CG2-CE 3.74Å; T808-M833 HydrophobicContact CG2-SD 4.26Å; C830-M833 HydrophobicContact CB-CB 4.24Å; C830-M833 HydrophobicContact CB-CE 4.28Å; C830-M833 HydrophobicContact CB-CG 4.21Å; C830-M833 HydrophobicContact CB-SD 3.62Å; C830-M833 WeakPolarHBondContact O-CB 3.47Å; C830-M833 PolarHBondContact O-N 3.21Å; D831-M833 VanDerWaalsContact C-N 3.33Å; D831-M833 PolarHBondContact O-N 3.06Å; M833-K835 VanDerWaalsContact C-N 3.27Å; M833-K835 PolarHBondContact O-N 2.87Å; M833-T836 WeakPolarHBondContact O-CB 3.44Å; M833-T836 PolarHBondContact O-N 3.5Å; M833-A837 PolarHBondContact O-N 3.35Å |
| 834 | S | 86.1 | Confident | 80.5 | Confident | 15 Ų | 15 | 58 Ų | 58 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -32.8 | 179 | -67.5 | 0 | 0 | 0 | 0 | 113.3 | Y804 V805 C830 D831 E832 T836 A837 Y838 | Y804-S834 WeakPolarHBondContact O-CB 3.23Å; Y804-S834 PolarHBondContact O-OG 2.72Å; V805-S834 WeakPolarHBondContact CA-OG 3.38Å; C830-S834 PolarHBondContact O-N 3.22Å; D831-S834 VanDerWaalsContact O-CB 3.28Å; D831-S834 WeakPolarHBondContact O-CB 3.32Å; D831-S834 PolarHBondContact O-N 2.94Å; D831-S834 PolarHBondContact O-OG 2.93Å; E832-S834 VanDerWaalsContact C-N 3.27Å; E832-S834 PolarHBondContact O-N 3.07Å; S834-T836 VanDerWaalsContact C-N 3.33Å; S834-A837 PolarHBondContact O-N 3.33Å; S834-Y838 WeakPolarHBondContact O-CB 3.41Å; S834-Y838 PolarHBondContact O-N 3.18Å |
| 835 | K | 85.4 | Confident | 82.8 | Confident | 175 Ų | 175 | 52.8 Ų | 52.8 | 76% | 0.761 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 172.3 | -74 | -171.8 | 175.6 | -172.5 | 0 | 111.2 | M833 R839 | M833-K835 VanDerWaalsContact C-N 3.27Å; M833-K835 PolarHBondContact O-N 2.87Å; K835-R839 WeakPolarHBondContact O-CB 3.37Å; K835-R839 PolarHBondContact O-N 2.98Å |
| 836 | T | 89.2 | Confident | 84.6 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 177.8 | -44.4 | 0 | 0 | 0 | 0 | 111.4 | H767 M833 S834 Y838 R839 L840 | H767-T836 HydrophobicContact CB-CG2 4Å; H767-T836 PolarHBondContact ND1-OG1 3.15Å; M833-T836 WeakPolarHBondContact O-CB 3.44Å; M833-T836 PolarHBondContact O-N 3.5Å; S834-T836 VanDerWaalsContact C-N 3.33Å; T836-Y838 VanDerWaalsContact C-N 3.35Å; T836-Y838 PolarHBondContact O-N 2.85Å; T836-R839 WeakPolarHBondContact O-CB 3.48Å; T836-R839 PolarHBondContact O-N 3.23Å; T836-R839 VanDerWaalsContact O-N 3.15Å; T836-L840 HydrophobicContact CG2-CD1 3.87Å; T836-L840 HydrophobicContact CG2-CG 4.46Å; T836-L840 WeakPolarHBondContact O-CB 3.36Å; T836-L840 WeakPolarHBondContact O-CG 3.17Å; T836-L840 PolarHBondContact O-N 3.49Å |
| 837 | A | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F763 V806 M833 S834 L841 | F763-A837 HydrophobicContact CD1-CB 3.67Å; F763-A837 HydrophobicContact CE1-CB 3.83Å; F763-A837 HydrophobicContact CG-CB 4.07Å; F763-A837 HydrophobicContact CZ-CB 4.38Å; V806-A837 HydrophobicContact CG2-CB 3.48Å; V806-A837 VanDerWaalsContact CG2-CB 3.48Å; M833-A837 PolarHBondContact O-N 3.35Å; S834-A837 PolarHBondContact O-N 3.33Å; A837-L841 VanDerWaalsContact O-CB 3.24Å; A837-L841 WeakPolarHBondContact O-CB 3.2Å; A837-L841 WeakPolarHBondContact O-CG 3.47Å; A837-L841 PolarHBondContact O-N 3.26Å |
| 838 | Y | 88.8 | Confident | 87.1 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 170.8 | 174.1 | -99.7 | 0 | 0 | 0 | 112 | H802 Y804 S834 T836 L840 L841 K842 | H802-Y838 AromaticContact CD2-CD2 3.56Å; H802-Y838 AromaticContact CD2-CE1 3.84Å; H802-Y838 AromaticContact CD2-CE2 3.27Å; H802-Y838 WeakPolarHBondContact CD2-CE2 3.27Å; H802-Y838 AromaticContact CD2-CG 3.95Å; H802-Y838 AromaticContact CD2-CZ 3.41Å; H802-Y838 VanDerWaalsContact CD2-CZ 3.41Å; H802-Y838 AromaticContact NE2-CE1 3.97Å; H802-Y838 AromaticContact NE2-CE2 3.28Å; H802-Y838 VanDerWaalsContact NE2-CE2 3.28Å; H802-Y838 WeakPolarHBondContact NE2-CE2 3.15Å; H802-Y838 AromaticContact NE2-CZ 3.21Å; H802-Y838 PolarHBondContact NE2-OH 3.43Å; Y804-Y838 HydrophobicContact CD2-CD2 4.11Å; Y804-Y838 AromaticContact CE2-CD2 3.72Å; Y804-Y838 HydrophobicContact CE2-CD2 3.72Å; Y804-Y838 HydrophobicContact CE2-CE2 4.42Å; Y804-Y838 AromaticContact CZ-CD2 3.97Å; S834-Y838 WeakPolarHBondContact O-CB 3.41Å; S834-Y838 PolarHBondContact O-N 3.18Å; T836-Y838 VanDerWaalsContact C-N 3.35Å; T836-Y838 PolarHBondContact O-N 2.85Å; Y838-L840 VanDerWaalsContact C-N 3.33Å; Y838-L840 PolarHBondContact O-N 3.35Å; Y838-L841 PolarHBondContact O-N 2.98Å; Y838-K842 HydrophobicContact CE1-CD 3.95Å; Y838-K842 HydrophobicContact CE2-CD 4.46Å; Y838-K842 WeakPolarHBondContact O-CB 3.41Å; Y838-K842 PolarHBondContact O-N 3.5Å; Y838-K842 WeakPolarHBondContact OH-CD 3.22Å; Y838-K842 WeakPolarHBondContact OH-CE 3.45Å; Y838-K842 PolarHBondContact OH-NZ 3.38Å |
| 839 | R | 90.8 | Very high | 87.5 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 32% | 0.317 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.7 | -44.5 | 179.8 | -167.2 | -161.3 | -71.3 | 166.3 | -8 | 112 | N770 I771 P773 K835 T836 P843 | N770-R839 PolarHBondContact O-NH1 3.06Å; N770-R839 PolarHBondContact OD1-NH1 3.49Å; N770-R839 PolarHBondContact OD1-NH2 3.3Å; I771-R839 WeakPolarHBondContact O-CD 3.44Å; I771-R839 PolarHBondContact O-NH1 3Å; P773-R839 WeakPolarHBondContact CG-O 3.45Å; K835-R839 WeakPolarHBondContact O-CB 3.37Å; K835-R839 PolarHBondContact O-N 2.98Å; T836-R839 WeakPolarHBondContact O-CB 3.48Å; T836-R839 PolarHBondContact O-N 3.23Å; T836-R839 VanDerWaalsContact O-N 3.15Å; R839-P843 WeakPolarHBondContact O-CD 3.28Å |
| 840 | L | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -76.7 | -38.2 | -178.3 | -68.7 | 168.7 | 0 | 0 | 0 | 113.3 | Y736 L758 F763 F766 I771 P773 T836 Y838 P843 | Y736-L840 HydrophobicContact CE2-CD2 3.96Å; Y736-L840 PolarHBondContact OH-O 2.94Å; Y736-L840 VanDerWaalsContact OH-O 3.08Å; L758-L840 HydrophobicContact CD2-CD1 4.37Å; F763-L840 HydrophobicContact CD1-CD1 4.07Å; F763-L840 HydrophobicContact CE1-CD1 4.48Å; F766-L840 HydrophobicContact CB-CD1 3.79Å; F766-L840 HydrophobicContact CG-CD1 4.31Å; I771-L840 HydrophobicContact CG2-CD2 3.96Å; P773-L840 HydrophobicContact CG-CD2 4.42Å; T836-L840 HydrophobicContact CG2-CD1 3.87Å; T836-L840 HydrophobicContact CG2-CG 4.46Å; T836-L840 WeakPolarHBondContact O-CB 3.36Å; T836-L840 WeakPolarHBondContact O-CG 3.17Å; T836-L840 PolarHBondContact O-N 3.49Å; Y838-L840 VanDerWaalsContact C-N 3.33Å; Y838-L840 PolarHBondContact O-N 3.35Å; L840-P843 WeakPolarHBondContact O-CD 3.2Å |
| 841 | L | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -85.2 | -21.9 | -177 | -62.5 | 176.2 | 0 | 0 | 0 | 113.7 | L758 F763 Y804 A837 Y838 I844 T845 L864 L867 I873 I878 | L758-L841 HydrophobicContact CD1-CD2 4Å; F763-L841 HydrophobicContact CE1-CD1 4.23Å; F763-L841 HydrophobicContact CE1-CD2 4.36Å; F763-L841 HydrophobicContact CE1-CG 4.13Å; F763-L841 HydrophobicContact CZ-CD1 3.98Å; F763-L841 HydrophobicContact CZ-CD2 4.25Å; F763-L841 HydrophobicContact CZ-CG 4.23Å; Y804-L841 HydrophobicContact CD1-CD1 4.29Å; Y804-L841 HydrophobicContact CE1-CB 4.17Å; Y804-L841 HydrophobicContact CE1-CD1 4.04Å; A837-L841 VanDerWaalsContact O-CB 3.24Å; A837-L841 WeakPolarHBondContact O-CB 3.2Å; A837-L841 WeakPolarHBondContact O-CG 3.47Å; A837-L841 PolarHBondContact O-N 3.26Å; Y838-L841 PolarHBondContact O-N 2.98Å; L841-I844 HydrophobicContact CD2-CD1 4.18Å; L841-I844 WeakPolarHBondContact O-CA 3.49Å; L841-I844 WeakPolarHBondContact O-CB 3.36Å; L841-I844 PolarHBondContact O-N 3.23Å; L841-T845 PolarHBondContact O-N 3.07Å; L841-T845 PolarHBondContact O-OG1 3.18Å; L841-L864 HydrophobicContact CD2-CD2 4.1Å; L841-L867 HydrophobicContact CD2-CD1 3.77Å; L841-I873 HydrophobicContact CD1-CD1 3.64Å; L841-I873 HydrophobicContact CD1-CG2 4.12Å; L841-I878 HydrophobicContact CD1-CD1 4.37Å |
| 842 | K | 91.7 | Very high | 87.3 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 45% | 0.452 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54 | -42.4 | 179.4 | 179.4 | 178.4 | -168.4 | 164 | 0 | 114.3 | Y838 I844 T845 S846 | Y838-K842 HydrophobicContact CE1-CD 3.95Å; Y838-K842 HydrophobicContact CE2-CD 4.46Å; Y838-K842 WeakPolarHBondContact O-CB 3.41Å; Y838-K842 PolarHBondContact O-N 3.5Å; Y838-K842 WeakPolarHBondContact OH-CD 3.22Å; Y838-K842 WeakPolarHBondContact OH-CE 3.45Å; Y838-K842 PolarHBondContact OH-NZ 3.38Å; K842-I844 VanDerWaalsContact C-N 3.32Å; K842-I844 PolarHBondContact O-N 3.1Å; K842-T845 WeakPolarHBondContact CA-OG1 3.49Å; K842-T845 PolarHBondContact O-OG1 3.13Å; K842-S846 WeakPolarHBondContact O-CB 3.32Å; K842-S846 PolarHBondContact O-N 2.83Å; K842-S846 VanDerWaalsContact O-N 3.1Å |
| 843 | P | 92.1 | Very high | 87.7 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.1 | -46.6 | 169.6 | -28.6 | 36.1 | 0 | 0 | 0 | 112.8 | Y736 M739 P773 R839 L840 S846 | Y736-P843 HydrophobicContact CD1-CB 4.48Å; Y736-P843 HydrophobicContact CE1-CB 4.41Å; Y736-P843 HydrophobicContact CE1-CG 4.34Å; M739-P843 HydrophobicContact CE-CB 3.75Å; P773-P843 HydrophobicContact CB-CG 4.38Å; P773-P843 HydrophobicContact CG-CG 4.14Å; R839-P843 WeakPolarHBondContact O-CD 3.28Å; L840-P843 WeakPolarHBondContact O-CD 3.2Å; P843-S846 PolarHBondContact O-N 3.34Å; P843-S846 PolarHBondContact O-OG 3.44Å |
| 844 | I | 94.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71 | -44.2 | -175.4 | -51.8 | 178.7 | 0 | 0 | 0 | 111.6 | M739 L751 I754 I755 L841 K842 S846 L847 L864 | M739-I844 HydrophobicContact SD-CG1 4.32Å; L751-I844 HydrophobicContact CD1-CB 4.47Å; L751-I844 HydrophobicContact CD1-CD1 3.9Å; L751-I844 HydrophobicContact CD1-CG1 3.92Å; L751-I844 HydrophobicContact CD1-CG2 3.84Å; I754-I844 HydrophobicContact CG2-CD1 4.01Å; I755-I844 HydrophobicContact CD1-CD1 3.92Å; L841-I844 HydrophobicContact CD2-CD1 4.18Å; L841-I844 WeakPolarHBondContact O-CA 3.49Å; L841-I844 WeakPolarHBondContact O-CB 3.36Å; L841-I844 PolarHBondContact O-N 3.23Å; K842-I844 VanDerWaalsContact C-N 3.32Å; K842-I844 PolarHBondContact O-N 3.1Å; I844-S846 VanDerWaalsContact C-N 3.26Å; I844-S846 PolarHBondContact O-N 3.01Å; I844-L847 WeakPolarHBondContact O-CB 3.47Å; I844-L847 PolarHBondContact O-N 2.86Å; I844-L847 VanDerWaalsContact O-N 3.1Å; I844-L864 HydrophobicContact CG2-CD1 4.05Å; I844-L864 HydrophobicContact CG2-CD2 4.43Å; I844-L864 HydrophobicContact CG2-CG 4.09Å |
| 845 | T | 92.4 | Very high | 87.9 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -32.1 | 174.5 | 42.6 | 0 | 0 | 0 | 0 | 112 | L841 K842 L847 L848 L864 I878 L881 | L841-T845 PolarHBondContact O-N 3.07Å; L841-T845 PolarHBondContact O-OG1 3.18Å; K842-T845 WeakPolarHBondContact CA-OG1 3.49Å; K842-T845 PolarHBondContact O-OG1 3.13Å; T845-L847 PolarHBondContact O-N 3.19Å; T845-L848 WeakPolarHBondContact O-CB 3.49Å; T845-L848 PolarHBondContact O-N 3.03Å; T845-L864 HydrophobicContact CG2-CD1 3.74Å; T845-L864 HydrophobicContact CG2-CD2 4.33Å; T845-I878 HydrophobicContact CG2-CG1 4.12Å; T845-L881 HydrophobicContact CG2-CD1 4.28Å |
| 846 | S | 90.9 | Very high | 88.2 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -16.3 | 174.6 | 87.7 | 0 | 0 | 0 | 0 | 114.2 | K842 P843 I844 L848 K850 | K842-S846 WeakPolarHBondContact O-CB 3.32Å; K842-S846 PolarHBondContact O-N 2.83Å; K842-S846 VanDerWaalsContact O-N 3.1Å; P843-S846 PolarHBondContact O-N 3.34Å; P843-S846 PolarHBondContact O-OG 3.44Å; I844-S846 VanDerWaalsContact C-N 3.26Å; I844-S846 PolarHBondContact O-N 3.01Å; S846-L848 VanDerWaalsContact C-N 3.31Å; S846-K850 WeakPolarHBondContact O-CD 3.39Å; S846-K850 VanDerWaalsContact O-CG 3.3Å; S846-K850 WeakPolarHBondContact O-CG 3.3Å; S846-K850 PolarHBondContact OG-NZ 3.41Å |
| 847 | L | 91.5 | Very high | 88.3 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.3 | -15.7 | 172.6 | -59.7 | 174 | 0 | 0 | 0 | 112.6 | M739 L751 I844 T845 S852 L856 S860 | M739-L847 HydrophobicContact CE-CD1 4.47Å; M739-L847 HydrophobicContact CG-CD1 4.46Å; M739-L847 HydrophobicContact SD-CD1 4.19Å; L751-L847 HydrophobicContact CD2-CD1 4.27Å; I844-L847 WeakPolarHBondContact O-CB 3.47Å; I844-L847 PolarHBondContact O-N 2.86Å; I844-L847 VanDerWaalsContact O-N 3.1Å; T845-L847 PolarHBondContact O-N 3.19Å; L847-S852 WeakPolarHBondContact O-CB 3.43Å; L847-S852 PolarHBondContact O-OG 3.04Å; L847-L856 HydrophobicContact CD1-CD1 4.36Å; L847-L856 HydrophobicContact CD1-CD2 4.34Å; L847-L856 HydrophobicContact CD1-CG 4.2Å; L847-L856 HydrophobicContact CD2-CD2 4.07Å; L847-S860 WeakPolarHBondContact CB-OG 3.43Å; L847-S860 WeakPolarHBondContact CD1-OG 3.34Å |
| 848 | L | 89.5 | Confident | 88.4 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -85.5 | -29.6 | 174.7 | -53.1 | -170.8 | 0 | 0 | 0 | 113 | T845 S846 R857 A861 L864 L882 L885 | T845-L848 WeakPolarHBondContact O-CB 3.49Å; T845-L848 PolarHBondContact O-N 3.03Å; S846-L848 VanDerWaalsContact C-N 3.31Å; L848-R857 HydrophobicContact CD2-CG 4.1Å; L848-A861 HydrophobicContact CD2-CB 3.84Å; L848-L864 HydrophobicContact CD1-CD1 3.8Å; L848-L864 HydrophobicContact CG-CD1 4.38Å; L848-L882 HydrophobicContact CD1-CD2 3.93Å; L848-L885 HydrophobicContact CD1-CD2 4.45Å; L848-L885 HydrophobicContact CD2-CD2 3.96Å |
| 849 | E | 81.9 | Confident | 88.7 | Confident | 132 Ų | 132 | 47.8 Ų | 47.8 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -88.5 | -16.8 | -174.8 | -62.1 | -179.7 | 148.8 | 0 | 0 | 113.3 | L881 | E849-L881 HydrophobicContact CG-CD2 4.38Å |
| 850 | K | 78.6 | Confident | 88.9 | Confident | 126 Ų | 126 | 43.8 Ų | 43.8 | 55% | 0.548 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -98.5 | 161.3 | -179.3 | -69.2 | 171.4 | -174.9 | 163.2 | 0 | 112 | S846 S852 | S846-K850 WeakPolarHBondContact O-CD 3.39Å; S846-K850 VanDerWaalsContact O-CG 3.3Å; S846-K850 WeakPolarHBondContact O-CG 3.3Å; S846-K850 PolarHBondContact OG-NZ 3.41Å; K850-S852 PolarHBondContact O-N 2.99Å; K850-S852 PolarHBondContact O-OG 2.95Å |
| 851 | E | 72.7 | Confident | 89 | Confident | 203 Ų | 203 | 43.8 Ų | 43.8 | 95% | 0.949 | 23% | 0.225 | S | C | * | . | trans | -70.4 | 74.1 | 160.7 | -67.4 | 179.5 | 164.6 | 0 | 0 | 109.7 | ||||
| 852 | S | 76 | Confident | 89.1 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | trans | -82.2 | 170.5 | 168.9 | 43.9 | 0 | 0 | 0 | 0 | 111.4 | L847 K850 R857 | L847-S852 WeakPolarHBondContact O-CB 3.43Å; L847-S852 PolarHBondContact O-OG 3.04Å; K850-S852 PolarHBondContact O-N 2.99Å; K850-S852 PolarHBondContact O-OG 2.95Å; S852-R857 PolarHBondContact O-NH2 2.68Å; S852-R857 PolarHBondContact OG-NE 3.02Å; S852-R857 VanDerWaalsContact OG-NE 3.1Å | ||
| 853 | D | 86.7 | Confident | 89.3 | Confident | 76 Ų | 76 | 41.8 Ų | 41.8 | 41% | 0.406 | 22% | 0.219 | S | C | . | . | trans | -64.1 | 151.6 | 164.2 | 165.1 | 66.5 | 0 | 0 | 0 | 111.9 | L744 G855 L856 R857 | L744-D853 HydrophobicContact CD2-CB 3.51Å; D853-G855 VanDerWaalsContact OD2-CA 3.27Å; D853-G855 WeakPolarHBondContact OD2-CA 3.35Å; D853-G855 PolarHBondContact OD2-N 3.45Å; D853-L856 HydrophobicContact CB-CB 4.23Å; D853-L856 PolarHBondContact O-N 3.17Å; D853-L856 PolarHBondContact OD2-N 3.28Å; D853-R857 VanDerWaalsContact O-CB 3.31Å; D853-R857 WeakPolarHBondContact O-CB 3.45Å; D853-R857 PolarHBondContact O-N 3.09Å | ||
| 854 | D | 86.7 | Confident | 89.5 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.6 | -30.3 | -175.7 | -113.7 | 68.5 | 0 | 0 | 0 | 113.6 | R857 S858 S894 | D854-R857 IonicContact OD1-CZ 2.63Å; D854-R857 IonicContact OD1-NH1 3.84Å; D854-R857 PolarHBondContact OD1-NH1 3.45Å; D854-R857 IonicContact OD1-NH2 2.86Å; D854-R857 IonicContact OD2-NH1 2.95Å; D854-S858 WeakPolarHBondContact O-CB 3.41Å; D854-S858 PolarHBondContact O-N 3.29Å; D854-S858 PolarHBondContact O-OG 3.2Å; D854-S894 WeakPolarHBondContact OD2-CB 3.26Å; D854-S894 PolarHBondContact OD2-OG 3.43Å |
| 855 | G | 88.5 | Confident | 89.6 | Confident | 23 Ų | 23 | 41 Ų | 41 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -54.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D853 R857 S858 T859 | D853-G855 VanDerWaalsContact OD2-CA 3.27Å; D853-G855 WeakPolarHBondContact OD2-CA 3.35Å; D853-G855 PolarHBondContact OD2-N 3.45Å; G855-R857 VanDerWaalsContact C-N 3.3Å; G855-R857 PolarHBondContact O-N 3.03Å; G855-S858 WeakPolarHBondContact O-CA 3.42Å; G855-S858 WeakPolarHBondContact O-CB 3.22Å; G855-S858 PolarHBondContact O-N 3.06Å; G855-T859 PolarHBondContact O-N 3.39Å |
| 856 | L | 91.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -40.1 | 178.8 | -170.7 | 66.8 | 0 | 0 | 0 | 112.6 | E748 L751 L847 D853 S860 | E748-L856 HydrophobicContact CB-CD1 4.35Å; L751-L856 HydrophobicContact CD2-CD1 3.8Å; L847-L856 HydrophobicContact CD1-CD1 4.36Å; L847-L856 HydrophobicContact CD1-CD2 4.34Å; L847-L856 HydrophobicContact CD1-CG 4.2Å; L847-L856 HydrophobicContact CD2-CD2 4.07Å; D853-L856 HydrophobicContact CB-CB 4.23Å; D853-L856 PolarHBondContact O-N 3.17Å; D853-L856 PolarHBondContact OD2-N 3.28Å; L856-S860 VanDerWaalsContact O-CB 3.31Å; L856-S860 WeakPolarHBondContact O-CB 3.45Å; L856-S860 PolarHBondContact O-N 2.84Å; L856-S860 PolarHBondContact O-OG 2.85Å |
| 857 | R | 91.9 | Very high | 89.9 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | 174.4 | -158.5 | -176.9 | -46.7 | 111.2 | 2.7 | 112 | L848 S852 D853 D854 G855 S860 A861 L885 | L848-R857 HydrophobicContact CD2-CG 4.1Å; S852-R857 PolarHBondContact O-NH2 2.68Å; S852-R857 PolarHBondContact OG-NE 3.02Å; S852-R857 VanDerWaalsContact OG-NE 3.1Å; D853-R857 VanDerWaalsContact O-CB 3.31Å; D853-R857 WeakPolarHBondContact O-CB 3.45Å; D853-R857 PolarHBondContact O-N 3.09Å; D854-R857 IonicContact OD1-CZ 2.63Å; D854-R857 IonicContact OD1-NH1 3.84Å; D854-R857 PolarHBondContact OD1-NH1 3.45Å; D854-R857 IonicContact OD1-NH2 2.86Å; D854-R857 IonicContact OD2-NH1 2.95Å; G855-R857 VanDerWaalsContact C-N 3.3Å; G855-R857 PolarHBondContact O-N 3.03Å; R857-S860 PolarHBondContact O-N 3.05Å; R857-A861 WeakPolarHBondContact O-CB 3.39Å; R857-A861 PolarHBondContact O-N 3.35Å; R857-L885 HydrophobicContact CG-CD2 4.45Å |
| 858 | S | 93.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 12% | 0.119 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -50.1 | 176.4 | -66 | 0 | 0 | 0 | 0 | 111.5 | D854 G855 S860 A861 L862 | D854-S858 WeakPolarHBondContact O-CB 3.41Å; D854-S858 PolarHBondContact O-N 3.29Å; D854-S858 PolarHBondContact O-OG 3.2Å; G855-S858 WeakPolarHBondContact O-CA 3.42Å; G855-S858 WeakPolarHBondContact O-CB 3.22Å; G855-S858 PolarHBondContact O-N 3.06Å; S858-S860 VanDerWaalsContact C-N 3.34Å; S858-S860 PolarHBondContact O-N 2.99Å; S858-A861 PolarHBondContact O-N 3.47Å; S858-L862 WeakPolarHBondContact O-CB 3.43Å; S858-L862 VanDerWaalsContact O-CG 3.27Å; S858-L862 WeakPolarHBondContact O-CG 3.42Å; S858-L862 PolarHBondContact O-N 2.65Å |
| 859 | T | 94.3 | Very high | 90 | Very high | 39 Ų | 39 | 44 Ų | 44 | 24% | 0.239 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -34.4 | 179.4 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | E748 L751 G855 G863 | E748-T859 HydrophobicContact CG-CG2 4.01Å; E748-T859 WeakPolarHBondContact OE1-CB 3.46Å; E748-T859 PolarHBondContact OE1-OG1 2.73Å; L751-T859 HydrophobicContact CD2-CG2 3.9Å; L751-T859 HydrophobicContact CG-CG2 4.09Å; G855-T859 PolarHBondContact O-N 3.39Å; T859-G863 PolarHBondContact O-N 3Å |
| 860 | S | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -51.2 | 170.3 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | L751 L847 L856 R857 S858 G863 L864 | L751-S860 VanDerWaalsContact CD2-OG 3.23Å; L751-S860 WeakPolarHBondContact CD2-OG 3.37Å; L847-S860 WeakPolarHBondContact CB-OG 3.43Å; L847-S860 WeakPolarHBondContact CD1-OG 3.34Å; L856-S860 VanDerWaalsContact O-CB 3.31Å; L856-S860 WeakPolarHBondContact O-CB 3.45Å; L856-S860 PolarHBondContact O-N 2.84Å; L856-S860 PolarHBondContact O-OG 2.85Å; R857-S860 PolarHBondContact O-N 3.05Å; S858-S860 VanDerWaalsContact C-N 3.34Å; S858-S860 PolarHBondContact O-N 2.99Å; S860-G863 PolarHBondContact O-N 3.18Å; S860-L864 WeakPolarHBondContact O-CG 3.15Å; S860-L864 PolarHBondContact O-N 2.85Å |
| 861 | A | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -43.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L848 R857 S858 A865 L882 L885 L897 | L848-A861 HydrophobicContact CD2-CB 3.84Å; R857-A861 WeakPolarHBondContact O-CB 3.39Å; R857-A861 PolarHBondContact O-N 3.35Å; S858-A861 PolarHBondContact O-N 3.47Å; A861-A865 WeakPolarHBondContact O-CB 3.42Å; A861-A865 PolarHBondContact O-N 3.27Å; A861-L882 HydrophobicContact CB-CD2 3.79Å; A861-L885 HydrophobicContact CB-CD2 3.7Å; A861-L897 HydrophobicContact CB-CD1 3.55Å |
| 862 | L | 96.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -71.2 | -32.4 | 177.3 | -62.3 | 177.9 | 0 | 0 | 0 | 111.6 | S858 A865 K866 L897 | S858-L862 WeakPolarHBondContact O-CB 3.43Å; S858-L862 VanDerWaalsContact O-CG 3.27Å; S858-L862 WeakPolarHBondContact O-CG 3.42Å; S858-L862 PolarHBondContact O-N 2.65Å; L862-A865 PolarHBondContact O-N 3.16Å; L862-K866 WeakPolarHBondContact O-CG 3.23Å; L862-K866 PolarHBondContact O-N 3.46Å; L862-L897 HydrophobicContact CD2-CD1 4.47Å; L862-L897 HydrophobicContact CG-CD1 4.44Å |
| 863 | G | 96.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T859 S860 A865 K866 L867 | T859-G863 PolarHBondContact O-N 3Å; S860-G863 PolarHBondContact O-N 3.18Å; G863-A865 VanDerWaalsContact C-N 3.34Å; G863-A865 PolarHBondContact O-N 3.23Å; G863-K866 WeakPolarHBondContact O-CB 2.95Å; G863-K866 PolarHBondContact O-N 3.32Å; G863-L867 PolarHBondContact O-N 3.34Å; G863-L867 VanDerWaalsContact O-N 3.07Å |
| 864 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 173.4 | -71.1 | 165.2 | 0 | 0 | 0 | 111.9 | L841 I844 T845 L848 S860 L867 L868 I878 | L841-L864 HydrophobicContact CD2-CD2 4.1Å; I844-L864 HydrophobicContact CG2-CD1 4.05Å; I844-L864 HydrophobicContact CG2-CD2 4.43Å; I844-L864 HydrophobicContact CG2-CG 4.09Å; T845-L864 HydrophobicContact CG2-CD1 3.74Å; T845-L864 HydrophobicContact CG2-CD2 4.33Å; L848-L864 HydrophobicContact CD1-CD1 3.8Å; L848-L864 HydrophobicContact CG-CD1 4.38Å; S860-L864 WeakPolarHBondContact O-CG 3.15Å; S860-L864 PolarHBondContact O-N 2.85Å; L864-L867 PolarHBondContact O-N 2.73Å; L864-L868 PolarHBondContact O-N 2.78Å; L864-L868 VanDerWaalsContact O-N 3.13Å; L864-I878 HydrophobicContact CB-CG2 4.08Å; L864-I878 HydrophobicContact CD2-CD1 4.22Å |
| 865 | A | 96.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A861 L862 G863 L868 I869 L882 F904 | A861-A865 WeakPolarHBondContact O-CB 3.42Å; A861-A865 PolarHBondContact O-N 3.27Å; L862-A865 PolarHBondContact O-N 3.16Å; G863-A865 VanDerWaalsContact C-N 3.34Å; G863-A865 PolarHBondContact O-N 3.23Å; A865-L868 PolarHBondContact O-N 2.69Å; A865-I869 PolarHBondContact O-N 2.72Å; A865-L882 HydrophobicContact CB-CD1 4.34Å; A865-F904 HydrophobicContact CB-CB 4.21Å; A865-F904 HydrophobicContact CB-CD1 3.98Å; A865-F904 HydrophobicContact CB-CD2 3.73Å; A865-F904 HydrophobicContact CB-CE1 4.32Å; A865-F904 HydrophobicContact CB-CE2 4.1Å; A865-F904 HydrophobicContact CB-CG 3.67Å; A865-F904 HydrophobicContact CB-CZ 4.39Å; A865-F904 VanDerWaalsContact O-CE2 3.32Å; A865-F904 WeakPolarHBondContact O-CE2 3.42Å |
| 866 | K | 95.2 | Very high | 92.8 | Very high | 84 Ų | 84 | 27.4 Ų | 27.4 | 37% | 0.365 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 171.6 | -70.9 | 177.4 | -175.7 | 177.8 | 0 | 110.9 | I755 D756 L759 L862 G863 L868 I869 Y870 | I755-K866 HydrophobicContact CG2-CD 4.18Å; D756-K866 IonicContact OD1-NZ 2.76Å; D756-K866 PolarHBondContact OD1-NZ 2.86Å; L759-K866 HydrophobicContact CD1-CB 3.78Å; L759-K866 HydrophobicContact CD1-CD 3.53Å; L759-K866 HydrophobicContact CD1-CG 4.3Å; L759-K866 HydrophobicContact CD2-CB 4.02Å; L759-K866 HydrophobicContact CG-CB 4.47Å; L862-K866 WeakPolarHBondContact O-CG 3.23Å; L862-K866 PolarHBondContact O-N 3.46Å; G863-K866 WeakPolarHBondContact O-CB 2.95Å; G863-K866 PolarHBondContact O-N 3.32Å; K866-L868 PolarHBondContact O-N 3.44Å; K866-I869 PolarHBondContact O-N 2.63Å; K866-Y870 HydrophobicContact CB-CD2 4.27Å; K866-Y870 WeakPolarHBondContact O-CB 3.03Å; K866-Y870 VanDerWaalsContact O-CD2 3.32Å; K866-Y870 WeakPolarHBondContact O-CD2 3.4Å; K866-Y870 PolarHBondContact O-N 3.32Å |
| 867 | L | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -31.3 | -178.2 | -72.1 | 168.1 | 0 | 0 | 0 | 113 | I755 L758 L759 L841 G863 L864 R872 I873 | I755-L867 HydrophobicContact CD1-CD1 3.73Å; L758-L867 HydrophobicContact CB-CD2 3.86Å; L758-L867 HydrophobicContact CD1-CD1 4.48Å; L759-L867 HydrophobicContact CD2-CD2 3.83Å; L759-L867 HydrophobicContact CD2-CG 4.29Å; L759-L867 HydrophobicContact CG-CD2 3.82Å; L759-L867 HydrophobicContact CG-CG 4.38Å; L841-L867 HydrophobicContact CD2-CD1 3.77Å; G863-L867 PolarHBondContact O-N 3.34Å; G863-L867 VanDerWaalsContact O-N 3.07Å; L864-L867 PolarHBondContact O-N 2.73Å; L867-R872 HydrophobicContact CD2-CB 3.97Å; L867-R872 HydrophobicContact CD2-CG 4.25Å; L867-R872 WeakPolarHBondContact O-CB 3.35Å; L867-R872 PolarHBondContact O-N 3.05Å; L867-I873 HydrophobicContact CB-CD1 3.88Å; L867-I873 HydrophobicContact CB-CG1 3.99Å; L867-I873 PolarHBondContact O-N 2.98Å |
| 868 | L | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.6 | -49.9 | 172.7 | -74 | 160.1 | 0 | 0 | 0 | 112.1 | L864 A865 K866 Y870 D871 I873 I878 L879 L882 F904 Y908 | L864-L868 PolarHBondContact O-N 2.78Å; L864-L868 VanDerWaalsContact O-N 3.13Å; A865-L868 PolarHBondContact O-N 2.69Å; K866-L868 PolarHBondContact O-N 3.44Å; L868-Y870 PolarHBondContact O-N 3.28Å; L868-D871 PolarHBondContact O-N 3.09Å; L868-I873 HydrophobicContact CD2-CD1 4.49Å; L868-I873 HydrophobicContact CD2-CG1 4.01Å; L868-I873 HydrophobicContact CG-CD1 4.33Å; L868-I873 HydrophobicContact CG-CG1 4.1Å; L868-I878 HydrophobicContact CD1-CB 4.4Å; L868-I878 HydrophobicContact CD1-CG2 3.79Å; L868-L879 HydrophobicContact CD1-CD2 3.97Å; L868-L879 HydrophobicContact CD1-CG 4.23Å; L868-L879 HydrophobicContact CD2-CG 4.43Å; L868-L882 HydrophobicContact CD1-CD1 3.98Å; L868-F904 HydrophobicContact CB-CE2 3.84Å; L868-F904 HydrophobicContact CB-CZ 3.82Å; L868-F904 HydrophobicContact CD1-CE1 4.45Å; L868-F904 HydrophobicContact CD1-CZ 3.77Å; L868-F904 HydrophobicContact CG-CZ 4.43Å; L868-Y908 HydrophobicContact CB-CE2 4.09Å; L868-Y908 WeakPolarHBondContact O-CE2 3.41Å |
| 869 | I | 90.4 | Very high | 93 | Very high | 57 Ų | 57 | 28.6 Ų | 28.6 | 29% | 0.292 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -76.4 | -18 | -174.1 | -155.8 | 167.3 | 0 | 0 | 0 | 114.3 | A865 K866 F904 D907 Y908 | A865-I869 PolarHBondContact O-N 2.72Å; K866-I869 PolarHBondContact O-N 2.63Å; I869-F904 HydrophobicContact CB-CD2 4.18Å; I869-F904 HydrophobicContact CB-CE2 4.09Å; I869-F904 HydrophobicContact CD1-CD2 4.33Å; I869-D907 HydrophobicContact CD1-CB 4.11Å; I869-Y908 HydrophobicContact CB-CD2 4.4Å; I869-Y908 HydrophobicContact CG1-CD2 4.41Å |
| 870 | Y | 89.6 | Confident | 93.1 | Very high | 160 Ų | 160 | 27.1 Ų | 27.1 | 63% | 0.627 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 21.8 | 172.5 | -72.3 | -67.4 | 0 | 0 | 0 | 113.5 | L759 K866 L868 R872 | L759-Y870 HydrophobicContact CD2-CD2 3.84Å; L759-Y870 HydrophobicContact CD2-CG 4.28Å; K866-Y870 HydrophobicContact CB-CD2 4.27Å; K866-Y870 WeakPolarHBondContact O-CB 3.03Å; K866-Y870 VanDerWaalsContact O-CD2 3.32Å; K866-Y870 WeakPolarHBondContact O-CD2 3.4Å; K866-Y870 PolarHBondContact O-N 3.32Å; L868-Y870 PolarHBondContact O-N 3.28Å; Y870-R872 VanDerWaalsContact C-N 3.26Å; Y870-R872 PolarHBondContact O-N 2.9Å; Y870-R872 VanDerWaalsContact O-N 3.16Å |
| 871 | D | 88 | Confident | 93.1 | Very high | 33 Ų | 33 | 28.3 Ų | 28.3 | 18% | 0.176 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 39.4 | 175.4 | -52.5 | -50.5 | 0 | 0 | 0 | 114.3 | L807 L827 L868 H921 | L807-D871 WeakPolarHBondContact CB-O 3.37Å; L807-D871 HydrophobicContact CD1-CB 4.2Å; L827-D871 HydrophobicContact CD2-CB 3.48Å; L827-D871 VanDerWaalsContact CD2-CB 3.48Å; L868-D871 PolarHBondContact O-N 3.09Å; D871-H921 IonicContact OD1-CD2 2.73Å; D871-H921 IonicContact OD1-CE1 3.45Å; D871-H921 PolarHBondContact OD1-CE1 3.16Å; D871-H921 VanDerWaalsContact OD1-CE1 3.31Å; D871-H921 IonicContact OD1-NE2 3.31Å; D871-H921 PolarHBondContact OD1-NE2 3.1Å |
| 872 | R | 89.1 | Confident | 93 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 25% | 0.249 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -92.3 | -33.1 | 173.1 | -59.2 | -49.5 | -160.2 | 160.8 | 5.3 | 111.8 | L759 I760 F763 L807 L867 Y870 | L759-R872 HydrophobicContact CD2-CG 4.36Å; L759-R872 PolarHBondContact O-NE 3.33Å; L759-R872 PolarHBondContact O-NH2 2.95Å; I760-R872 PolarHBondContact O-NH2 3.33Å; F763-R872 HydrophobicContact CE2-CB 4.18Å; L807-R872 PolarHBondContact N-O 3.04Å; L867-R872 HydrophobicContact CD2-CB 3.97Å; L867-R872 HydrophobicContact CD2-CG 4.25Å; L867-R872 WeakPolarHBondContact O-CB 3.35Å; L867-R872 PolarHBondContact O-N 3.05Å; Y870-R872 VanDerWaalsContact C-N 3.26Å; Y870-R872 PolarHBondContact O-N 2.9Å; Y870-R872 VanDerWaalsContact O-N 3.16Å |
| 873 | I | 91.4 | Very high | 93 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156 | 172.8 | 59.2 | -177.5 | 0 | 0 | 0 | 111.1 | F763 V805 L841 L867 L868 I878 | F763-I873 HydrophobicContact CD2-CG2 4.2Å; F763-I873 HydrophobicContact CE2-CG2 3.43Å; F763-I873 VanDerWaalsContact CE2-CG2 3.43Å; F763-I873 HydrophobicContact CZ-CG2 3.75Å; V805-I873 CarbonylContact O-C 3.54Å; V805-I873 WeakPolarHBondContact O-CA 3.49Å; L841-I873 HydrophobicContact CD1-CD1 3.64Å; L841-I873 HydrophobicContact CD1-CG2 4.12Å; L867-I873 HydrophobicContact CB-CD1 3.88Å; L867-I873 HydrophobicContact CB-CG1 3.99Å; L867-I873 PolarHBondContact O-N 2.98Å; L868-I873 HydrophobicContact CD2-CD1 4.49Å; L868-I873 HydrophobicContact CD2-CG1 4.01Å; L868-I873 HydrophobicContact CG-CD1 4.33Å; L868-I873 HydrophobicContact CG-CG1 4.1Å; I873-I878 HydrophobicContact CD1-CD1 3.72Å |
| 874 | V | 89.2 | Confident | 92.9 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.8 | 159.6 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | V805 L807 A924 | V805-V874 HydrophobicContact CB-CB 4.49Å; V805-V874 PolarHBondContact N-O 3.46Å; V805-V874 PolarHBondContact O-N 3.33Å; L807-V874 HydrophobicContact CD1-CG2 3.53Å; L807-V874 HydrophobicContact CG-CG2 4.08Å; V874-A924 HydrophobicContact CG1-CB 3.42Å; V874-A924 VanDerWaalsContact CG1-CB 3.42Å |
| 875 | S | 91.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -155.1 | 118.1 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | D803 H877 I878 L879 | D803-S875 WeakPolarHBondContact O-CA 3.4Å; D803-S875 WeakPolarHBondContact O-CB 3.45Å; D803-S875 PolarHBondContact O-OG 2.99Å; S875-H877 PolarHBondContact O-N 3.08Å; S875-H877 PolarHBondContact OG-N 2.98Å; S875-I878 PolarHBondContact OG-N 3.35Å; S875-L879 WeakPolarHBondContact O-CD1 3.5Å; S875-L879 VanDerWaalsContact O-CG 3.29Å; S875-L879 WeakPolarHBondContact O-CG 3.32Å; S875-L879 PolarHBondContact O-N 2.69Å; S875-L879 VanDerWaalsContact O-N 3.13Å | ||
| 876 | S | 91.7 | Very high | 92.7 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.2 | -26.9 | 171.9 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | D803 S880 A924 A928 | D803-S876 VanDerWaalsContact OD2-CB 3.22Å; D803-S876 WeakPolarHBondContact OD2-CB 3.36Å; D803-S876 PolarHBondContact OD2-N 2.98Å; D803-S876 PolarHBondContact OD2-OG 3.14Å; S876-S880 WeakPolarHBondContact O-CB 3.36Å; S876-S880 PolarHBondContact O-N 3.41Å; S876-A924 VanDerWaalsContact CB-O 3.27Å; S876-A924 WeakPolarHBondContact CB-O 3.43Å; S876-A928 VanDerWaalsContact O-CB 3.26Å; S876-A928 WeakPolarHBondContact O-CB 3.45Å |
| 877 | H | 92 | Very high | 92.6 | Very high | 76 Ų | 76 | 26.3 Ų | 26.3 | 35% | 0.352 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -69.4 | -47.5 | 176.7 | 172.9 | 53.6 | 0 | 0 | 0 | 112.1 | Y804 S875 S880 L881 | Y804-H877 AromaticContact CE2-CD2 3.94Å; S875-H877 PolarHBondContact O-N 3.08Å; S875-H877 PolarHBondContact OG-N 2.98Å; H877-S880 WeakPolarHBondContact O-CB 3.18Å; H877-S880 PolarHBondContact O-N 3.12Å; H877-L881 PolarHBondContact O-N 3.3Å |
| 878 | I | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.8 | -63.3 | 168.5 | 0 | 0 | 0 | 110.4 | Y804 L841 T845 L864 L868 I873 S875 S880 L881 L882 | Y804-I878 HydrophobicContact CD1-CD1 4.3Å; Y804-I878 HydrophobicContact CE1-CD1 3.61Å; Y804-I878 HydrophobicContact CE1-CG1 4.3Å; L841-I878 HydrophobicContact CD1-CD1 4.37Å; T845-I878 HydrophobicContact CG2-CG1 4.12Å; L864-I878 HydrophobicContact CB-CG2 4.08Å; L864-I878 HydrophobicContact CD2-CD1 4.22Å; L868-I878 HydrophobicContact CD1-CB 4.4Å; L868-I878 HydrophobicContact CD1-CG2 3.79Å; I873-I878 HydrophobicContact CD1-CD1 3.72Å; S875-I878 PolarHBondContact OG-N 3.35Å; I878-S880 VanDerWaalsContact C-N 3.26Å; I878-S880 PolarHBondContact O-N 3.07Å; I878-L881 PolarHBondContact O-N 2.86Å; I878-L882 HydrophobicContact CG2-CD1 3.89Å; I878-L882 HydrophobicContact CG2-CG 4.12Å; I878-L882 WeakPolarHBondContact O-CB 3.01Å; I878-L882 WeakPolarHBondContact O-CG 3.46Å; I878-L882 PolarHBondContact O-N 2.74Å |
| 879 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57 | -40.4 | 174.2 | -71.7 | 166.8 | 0 | 0 | 0 | 111.7 | L868 S875 L882 L883 F904 F905 Y908 A924 A928 | L868-L879 HydrophobicContact CD1-CD2 3.97Å; L868-L879 HydrophobicContact CD1-CG 4.23Å; L868-L879 HydrophobicContact CD2-CG 4.43Å; S875-L879 WeakPolarHBondContact O-CD1 3.5Å; S875-L879 VanDerWaalsContact O-CG 3.29Å; S875-L879 WeakPolarHBondContact O-CG 3.32Å; S875-L879 PolarHBondContact O-N 2.69Å; S875-L879 VanDerWaalsContact O-N 3.13Å; L879-L882 PolarHBondContact O-N 2.76Å; L879-L883 WeakPolarHBondContact O-CB 3.3Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.42Å; L879-L883 PolarHBondContact O-N 3.36Å; L879-F904 HydrophobicContact CD2-CE1 3.87Å; L879-F904 HydrophobicContact CD2-CZ 3.74Å; L879-F905 HydrophobicContact CD2-CE1 3.86Å; L879-Y908 HydrophobicContact CD1-CE1 3.79Å; L879-Y908 HydrophobicContact CD2-CD1 4.06Å; L879-Y908 HydrophobicContact CD2-CE1 3.78Å; L879-Y908 HydrophobicContact CG-CE1 4.43Å; L879-A924 HydrophobicContact CD1-CB 3.62Å; L879-A928 HydrophobicContact CB-CB 3.88Å |
| 880 | S | 95.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 175.6 | -170.4 | 0 | 0 | 0 | 0 | 112.7 | S876 H877 I878 L882 L883 L884 T932 | S876-S880 WeakPolarHBondContact O-CB 3.36Å; S876-S880 PolarHBondContact O-N 3.41Å; H877-S880 WeakPolarHBondContact O-CB 3.18Å; H877-S880 PolarHBondContact O-N 3.12Å; I878-S880 VanDerWaalsContact C-N 3.26Å; I878-S880 PolarHBondContact O-N 3.07Å; S880-L882 PolarHBondContact O-N 3.31Å; S880-L883 PolarHBondContact O-N 3.41Å; S880-L884 VanDerWaalsContact O-CG 3.28Å; S880-L884 WeakPolarHBondContact O-CG 3.46Å; S880-L884 PolarHBondContact O-N 3.38Å; S880-T932 WeakPolarHBondContact CA-OG1 3.39Å; S880-T932 WeakPolarHBondContact CB-OG1 3.45Å; S880-T932 WeakPolarHBondContact OG-CA 3.2Å; S880-T932 PolarHBondContact OG-N 3.47Å; S880-T932 PolarHBondContact OG-OG1 2.87Å |
| 881 | L | 95 | Very high | 92.2 | Very high | 25 Ų | 25 | 22 Ų | 22 | 13% | 0.131 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.6 | -71.5 | 175.3 | 0 | 0 | 0 | 111.9 | T845 E849 H877 I878 L884 L885 | T845-L881 HydrophobicContact CG2-CD1 4.28Å; E849-L881 HydrophobicContact CG-CD2 4.38Å; H877-L881 PolarHBondContact O-N 3.3Å; I878-L881 PolarHBondContact O-N 2.86Å; L881-L884 PolarHBondContact O-N 2.94Å; L881-L885 WeakPolarHBondContact O-CB 3.46Å; L881-L885 PolarHBondContact O-N 3.2Å |
| 882 | L | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.7 | -34.6 | 177.7 | -67.4 | 178.6 | 0 | 0 | 0 | 112.3 | L848 A861 A865 L868 I878 L879 S880 W886 L901 F904 F905 | L848-L882 HydrophobicContact CD1-CD2 3.93Å; A861-L882 HydrophobicContact CB-CD2 3.79Å; A865-L882 HydrophobicContact CB-CD1 4.34Å; L868-L882 HydrophobicContact CD1-CD1 3.98Å; I878-L882 HydrophobicContact CG2-CD1 3.89Å; I878-L882 HydrophobicContact CG2-CG 4.12Å; I878-L882 WeakPolarHBondContact O-CB 3.01Å; I878-L882 WeakPolarHBondContact O-CG 3.46Å; I878-L882 PolarHBondContact O-N 2.74Å; L879-L882 PolarHBondContact O-N 2.76Å; S880-L882 PolarHBondContact O-N 3.31Å; L882-W886 VanDerWaalsContact O-CB 3.32Å; L882-W886 WeakPolarHBondContact O-CB 3.29Å; L882-W886 PolarHBondContact O-N 3.32Å; L882-L901 HydrophobicContact CB-CD2 4.38Å; L882-L901 HydrophobicContact CD2-CD2 4.07Å; L882-F904 HydrophobicContact CD1-CE1 4.08Å; L882-F905 HydrophobicContact CB-CE2 4.16Å; L882-F905 HydrophobicContact CB-CZ 3.68Å |
| 883 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 171.6 | -76.4 | 167.2 | 0 | 0 | 0 | 111.2 | L879 S880 L885 W886 F887 F905 L925 A928 T932 L957 | L879-L883 WeakPolarHBondContact O-CB 3.3Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.42Å; L879-L883 PolarHBondContact O-N 3.36Å; S880-L883 PolarHBondContact O-N 3.41Å; L883-L885 PolarHBondContact O-N 2.92Å; L883-W886 HydrophobicContact CD2-CE3 4.3Å; L883-W886 PolarHBondContact O-N 3.36Å; L883-F887 WeakPolarHBondContact O-CD2 3.38Å; L883-F887 PolarHBondContact O-N 3.34Å; L883-F887 VanDerWaalsContact O-N 3.15Å; L883-F905 HydrophobicContact CB-CZ 4.29Å; L883-F905 HydrophobicContact CD2-CD1 4.1Å; L883-F905 HydrophobicContact CD2-CD2 4.16Å; L883-F905 HydrophobicContact CD2-CE1 3.78Å; L883-F905 HydrophobicContact CD2-CE2 3.86Å; L883-F905 HydrophobicContact CD2-CG 4.29Å; L883-F905 HydrophobicContact CD2-CZ 3.67Å; L883-F905 HydrophobicContact CG-CE1 3.73Å; L883-F905 HydrophobicContact CG-CE2 4.14Å; L883-F905 HydrophobicContact CG-CZ 3.53Å; L883-L925 HydrophobicContact CD1-CD1 4.24Å; L883-A928 HydrophobicContact CD1-CB 4.49Å; L883-T932 HydrophobicContact CB-CG2 3.82Å; L883-T932 HydrophobicContact CD1-CG2 4.19Å; L883-L957 HydrophobicContact CD1-CD2 3.73Å; L883-L957 HydrophobicContact CD2-CD2 3.97Å |
| 884 | L | 94.7 | Very high | 91.5 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 10% | 0.099 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 178.5 | -69.3 | 167.4 | 0 | 0 | 0 | 111.4 | S880 L881 W886 F887 N888 T932 T935 L936 L945 | S880-L884 VanDerWaalsContact O-CG 3.28Å; S880-L884 WeakPolarHBondContact O-CG 3.46Å; S880-L884 PolarHBondContact O-N 3.38Å; L881-L884 PolarHBondContact O-N 2.94Å; L884-W886 PolarHBondContact O-N 3.03Å; L884-F887 PolarHBondContact O-N 3.19Å; L884-N888 WeakPolarHBondContact O-CB 3.33Å; L884-N888 PolarHBondContact O-N 3.2Å; L884-T932 HydrophobicContact CD2-CG2 4.09Å; L884-T932 HydrophobicContact CG-CG2 4.25Å; L884-T935 HydrophobicContact CD1-CG2 3.76Å; L884-T935 HydrophobicContact CD2-CG2 4.04Å; L884-L936 HydrophobicContact CD2-CD2 3.77Å; L884-L936 HydrophobicContact CD2-CG 3.78Å; L884-L945 HydrophobicContact CD2-CD1 4.34Å |
| 885 | L | 93.7 | Very high | 91.4 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -37.4 | 176 | 178.7 | 58.9 | 0 | 0 | 0 | 112.7 | L848 R857 A861 L881 L883 F887 S891 L897 L901 | L848-L885 HydrophobicContact CD1-CD2 4.45Å; L848-L885 HydrophobicContact CD2-CD2 3.96Å; R857-L885 HydrophobicContact CG-CD2 4.45Å; A861-L885 HydrophobicContact CB-CD2 3.7Å; L881-L885 WeakPolarHBondContact O-CB 3.46Å; L881-L885 PolarHBondContact O-N 3.2Å; L883-L885 PolarHBondContact O-N 2.92Å; L885-F887 VanDerWaalsContact C-N 3.34Å; L885-F887 PolarHBondContact O-N 3.3Å; L885-S891 WeakPolarHBondContact O-CB 3.25Å; L885-S891 PolarHBondContact O-OG 2.81Å; L885-L897 HydrophobicContact CD1-CD2 4.35Å; L885-L897 HydrophobicContact CD2-CD2 4.2Å; L885-L897 HydrophobicContact CG-CD2 4.24Å; L885-L901 HydrophobicContact CG-CD1 4.49Å |
| 886 | W | 94.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 43 Ų | 43 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 177.2 | -176 | 30 | 0 | 0 | 0 | 112.7 | L882 L883 L884 R898 L901 A902 F905 L956 | L882-W886 VanDerWaalsContact O-CB 3.32Å; L882-W886 WeakPolarHBondContact O-CB 3.29Å; L882-W886 PolarHBondContact O-N 3.32Å; L883-W886 HydrophobicContact CD2-CE3 4.3Å; L883-W886 PolarHBondContact O-N 3.36Å; L884-W886 PolarHBondContact O-N 3.03Å; W886-R898 PolarHBondContact NE1-O 3.31Å; W886-R898 VanDerWaalsContact NE1-O 3.08Å; W886-L901 HydrophobicContact CB-CB 4.2Å; W886-L901 HydrophobicContact CB-CD1 3.85Å; W886-L901 HydrophobicContact CG-CB 4.02Å; W886-L901 HydrophobicContact CG-CD1 4.47Å; W886-A902 HydrophobicContact CH2-CB 4.36Å; W886-A902 HydrophobicContact CZ2-CB 3.5Å; W886-A902 VanDerWaalsContact CZ2-CB 3.5Å; W886-F905 HydrophobicContact CD2-CD2 4.37Å; W886-F905 AromaticContact CE3-CD2 3.69Å; W886-F905 HydrophobicContact CE3-CD2 3.69Å; W886-F905 HydrophobicContact CE3-CE2 4.12Å; W886-F905 HydrophobicContact CZ3-CB 4.41Å; W886-F905 HydrophobicContact CZ3-CD2 4Å; W886-F905 HydrophobicContact CZ3-CG 4.48Å; W886-L956 HydrophobicContact CH2-CD2 3.55Å; W886-L956 HydrophobicContact CZ3-CD2 3.48Å; W886-L956 VanDerWaalsContact CZ3-CD2 3.48Å |
| 887 | F | 93 | Very high | 91.2 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 23% | 0.228 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -89.9 | -16.1 | 178.8 | -77 | -72.5 | 0 | 0 | 0 | 114.8 | L883 L884 L885 P889 V948 V953 L956 | L883-F887 WeakPolarHBondContact O-CD2 3.38Å; L883-F887 PolarHBondContact O-N 3.34Å; L883-F887 VanDerWaalsContact O-N 3.15Å; L884-F887 PolarHBondContact O-N 3.19Å; L885-F887 VanDerWaalsContact C-N 3.34Å; L885-F887 PolarHBondContact O-N 3.3Å; F887-P889 WeakPolarHBondContact O-CD 3.24Å; F887-V948 HydrophobicContact CB-CG1 4.04Å; F887-V948 HydrophobicContact CB-CG2 4.41Å; F887-V948 HydrophobicContact CD1-CG1 4.39Å; F887-V948 HydrophobicContact CG-CG1 4.45Å; F887-V948 VanDerWaalsContact O-CG2 3.24Å; F887-V948 WeakPolarHBondContact O-CG2 3.44Å; F887-V953 HydrophobicContact CD1-CG2 3.85Å; F887-V953 HydrophobicContact CD2-CG1 4.11Å; F887-V953 HydrophobicContact CD2-CG2 3.94Å; F887-V953 HydrophobicContact CE1-CG2 3.93Å; F887-V953 HydrophobicContact CE2-CB 4.44Å; F887-V953 HydrophobicContact CE2-CG1 3.93Å; F887-V953 HydrophobicContact CE2-CG2 4.03Å; F887-V953 HydrophobicContact CG-CG2 3.86Å; F887-V953 HydrophobicContact CZ-CG1 4.48Å; F887-V953 HydrophobicContact CZ-CG2 4.02Å; F887-L956 HydrophobicContact CE2-CD2 4.25Å; F887-L956 HydrophobicContact CZ-CD2 3.77Å |
| 888 | N | 91.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 40 Ų | 40 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -58.4 | 125.3 | 177 | -176.4 | -8.9 | 0 | 0 | 0 | 111.1 | L884 V890 S891 R898 P944 L945 | L884-N888 WeakPolarHBondContact O-CB 3.33Å; L884-N888 PolarHBondContact O-N 3.2Å; N888-V890 PolarHBondContact O-N 3.15Å; N888-V890 VanDerWaalsContact O-N 3.08Å; N888-V890 WeakPolarHBondContact OD1-CG2 3.37Å; N888-V890 PolarHBondContact OD1-N 3.02Å; N888-V890 VanDerWaalsContact OD1-N 3.07Å; N888-S891 PolarHBondContact O-N 3.04Å; N888-S891 PolarHBondContact O-OG 3.14Å; N888-R898 PolarHBondContact O-NH2 2.88Å; N888-P944 VanDerWaalsContact OD1-CG 3.3Å; N888-P944 WeakPolarHBondContact OD1-CG 3.37Å; N888-L945 HydrophobicContact CB-CD2 3.91Å |
| 889 | P | 90.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -46.6 | -35 | 173.2 | -33 | 36.7 | 0 | 0 | 0 | 115 | F887 S891 E892 R898 P944 E947 | F887-P889 WeakPolarHBondContact O-CD 3.24Å; P889-S891 PolarHBondContact O-N 3.46Å; P889-E892 WeakPolarHBondContact O-CB 3.49Å; P889-E892 PolarHBondContact O-N 3.38Å; P889-R898 PolarHBondContact O-NH2 3.47Å; P889-P944 HydrophobicContact CB-CB 4.22Å; P889-P944 VanDerWaalsContact CD-O 3.25Å; P889-P944 WeakPolarHBondContact CD-O 3.25Å; P889-P944 HydrophobicContact CG-CB 4.12Å; P889-P944 VanDerWaalsContact CG-O 3.26Å; P889-P944 WeakPolarHBondContact CG-O 3.3Å; P889-E947 HydrophobicContact CG-CB 4.06Å |
| 890 | V | 86.4 | Confident | 91.1 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -57 | -33.2 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | N888 E892 P944 | N888-V890 PolarHBondContact O-N 3.15Å; N888-V890 VanDerWaalsContact O-N 3.08Å; N888-V890 WeakPolarHBondContact OD1-CG2 3.37Å; N888-V890 PolarHBondContact OD1-N 3.02Å; N888-V890 VanDerWaalsContact OD1-N 3.07Å; V890-E892 PolarHBondContact O-N 3.14Å; V890-E892 VanDerWaalsContact O-N 3.11Å; V890-P944 HydrophobicContact CG2-CB 4.32Å; V890-P944 HydrophobicContact CG2-CG 3.97Å |
| 891 | S | 87.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -75.6 | 6.8 | 178 | 65.5 | 0 | 0 | 0 | 0 | 114.4 | L885 N888 P889 E893 S894 R898 | L885-S891 WeakPolarHBondContact O-CB 3.25Å; L885-S891 PolarHBondContact O-OG 2.81Å; N888-S891 PolarHBondContact O-N 3.04Å; N888-S891 PolarHBondContact O-OG 3.14Å; P889-S891 PolarHBondContact O-N 3.46Å; S891-E893 VanDerWaalsContact C-N 3.29Å; S891-S894 CarbonylContact O-C 3.59Å; S891-S894 PolarHBondContact O-N 2.94Å; S891-R898 WeakPolarHBondContact O-CD 3.5Å; S891-R898 VanDerWaalsContact O-CG 3.28Å; S891-R898 WeakPolarHBondContact O-CG 3.37Å; S891-R898 PolarHBondContact O-NE 3.21Å; S891-R898 WeakPolarHBondContact OG-CG 3.28Å; S891-R898 PolarHBondContact OG-NE 3.19Å |
| 892 | E | 83.7 | Confident | 91 | Very high | 106 Ų | 106 | 47.3 Ų | 47.3 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -68.3 | -31 | 172.8 | -164 | 132.1 | 162.3 | 0 | 0 | 112.2 | P889 V890 S894 P895 R898 F1150 | P889-E892 WeakPolarHBondContact O-CB 3.49Å; P889-E892 PolarHBondContact O-N 3.38Å; V890-E892 PolarHBondContact O-N 3.14Å; V890-E892 VanDerWaalsContact O-N 3.11Å; E892-S894 VanDerWaalsContact C-N 3.28Å; E892-S894 PolarHBondContact O-N 3.22Å; E892-P895 WeakPolarHBondContact O-CD 3.36Å; E892-R898 VanDerWaalsContact CA-CZ 3.43Å; E892-R898 VanDerWaalsContact N-CZ 3.26Å; E892-R898 IonicContact OE2-CZ 2.67Å; E892-R898 IonicContact OE2-NH1 3.55Å; E892-R898 PolarHBondContact OE2-NH1 3.27Å; E892-R898 IonicContact OE2-NH2 2.89Å; E892-F1150 VanDerWaalsContact OE2-CZ 3.31Å; E892-F1150 WeakPolarHBondContact OE2-CZ 3.44Å |
| 893 | E | 83 | Confident | 90.8 | Very high | 174 Ų | 174 | 52.5 Ų | 52.5 | 81% | 0.813 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -74.2 | -19.8 | 178.6 | -54.5 | -164.4 | 164.7 | 0 | 0 | 112.3 | S891 P895 | S891-E893 VanDerWaalsContact C-N 3.29Å; E893-P895 WeakPolarHBondContact O-CD 3.44Å |
| 894 | S | 87.4 | Confident | 90.7 | Very high | 11 Ų | 11 | 53 Ų | 53 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | trans | -110.2 | 73.5 | 171 | 39.6 | 0 | 0 | 0 | 0 | 114.1 | D854 S891 E892 Q896 L897 R898 | D854-S894 WeakPolarHBondContact OD2-CB 3.26Å; D854-S894 PolarHBondContact OD2-OG 3.43Å; S891-S894 CarbonylContact O-C 3.59Å; S891-S894 PolarHBondContact O-N 2.94Å; E892-S894 VanDerWaalsContact C-N 3.28Å; E892-S894 PolarHBondContact O-N 3.22Å; S894-Q896 PolarHBondContact O-N 3.07Å; S894-L897 WeakPolarHBondContact O-CB 3.44Å; S894-L897 PolarHBondContact O-N 2.85Å; S894-R898 PolarHBondContact O-N 3.31Å | ||
| 895 | P | 86.8 | Confident | 90.7 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -54.3 | -25.8 | 173.4 | -27.7 | 34.1 | 0 | 0 | 0 | 114.9 | E892 E893 R899 | E892-P895 WeakPolarHBondContact O-CD 3.36Å; E893-P895 WeakPolarHBondContact O-CD 3.44Å; P895-R899 WeakPolarHBondContact O-CB 3.47Å; P895-R899 PolarHBondContact O-N 3.47Å |
| 896 | Q | 86.7 | Confident | 90.4 | Very high | 167 Ų | 167 | 52.6 Ų | 52.6 | 78% | 0.78 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.8 | -45.6 | 176.2 | -56.2 | -166.6 | 33.7 | 0 | 0 | 111.3 | S894 R899 G900 | S894-Q896 PolarHBondContact O-N 3.07Å; Q896-R899 PolarHBondContact O-N 3.36Å; Q896-G900 PolarHBondContact O-N 2.92Å |
| 897 | L | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -53.6 | 175.1 | 174 | 55.6 | 0 | 0 | 0 | 111.1 | A861 L862 L885 S894 R899 G900 L901 | A861-L897 HydrophobicContact CB-CD1 3.55Å; L862-L897 HydrophobicContact CD2-CD1 4.47Å; L862-L897 HydrophobicContact CG-CD1 4.44Å; L885-L897 HydrophobicContact CD1-CD2 4.35Å; L885-L897 HydrophobicContact CD2-CD2 4.2Å; L885-L897 HydrophobicContact CG-CD2 4.24Å; S894-L897 WeakPolarHBondContact O-CB 3.44Å; S894-L897 PolarHBondContact O-N 2.85Å; L897-R899 PolarHBondContact O-N 2.91Å; L897-G900 PolarHBondContact O-N 2.98Å; L897-G900 VanDerWaalsContact O-N 3.12Å; L897-L901 HydrophobicContact CD1-CD1 3.7Å; L897-L901 HydrophobicContact CD1-CD2 4.47Å; L897-L901 HydrophobicContact CD1-CG 3.86Å; L897-L901 HydrophobicContact CG-CD1 4.17Å; L897-L901 WeakPolarHBondContact O-CG 3.44Å; L897-L901 PolarHBondContact O-N 3.38Å |
| 898 | R | 93.6 | Very high | 89.9 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -35.1 | 178.1 | -77.3 | -174.3 | 169.5 | 176.2 | 4.8 | 113 | W886 N888 P889 S891 E892 S894 A902 | W886-R898 PolarHBondContact NE1-O 3.31Å; W886-R898 VanDerWaalsContact NE1-O 3.08Å; N888-R898 PolarHBondContact O-NH2 2.88Å; P889-R898 PolarHBondContact O-NH2 3.47Å; S891-R898 WeakPolarHBondContact O-CD 3.5Å; S891-R898 VanDerWaalsContact O-CG 3.28Å; S891-R898 WeakPolarHBondContact O-CG 3.37Å; S891-R898 PolarHBondContact O-NE 3.21Å; S891-R898 WeakPolarHBondContact OG-CG 3.28Å; S891-R898 PolarHBondContact OG-NE 3.19Å; E892-R898 VanDerWaalsContact CA-CZ 3.43Å; E892-R898 VanDerWaalsContact N-CZ 3.26Å; E892-R898 IonicContact OE2-CZ 2.67Å; E892-R898 IonicContact OE2-NH1 3.55Å; E892-R898 PolarHBondContact OE2-NH1 3.27Å; E892-R898 IonicContact OE2-NH2 2.89Å; S894-R898 PolarHBondContact O-N 3.31Å; R898-A902 VanDerWaalsContact O-CB 3.22Å; R898-A902 WeakPolarHBondContact O-CB 3.35Å; R898-A902 PolarHBondContact O-N 2.97Å; R898-A902 VanDerWaalsContact O-N 3.1Å |
| 899 | R | 92.2 | Very high | 89.6 | Confident | 144 Ų | 144 | 51.7 Ų | 51.7 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.4 | -40.5 | 175.5 | -178.1 | 175.9 | 175.4 | -152.2 | -9.2 | 112.3 | P895 Q896 L897 A902 Y903 | P895-R899 WeakPolarHBondContact O-CB 3.47Å; P895-R899 PolarHBondContact O-N 3.47Å; Q896-R899 PolarHBondContact O-N 3.36Å; L897-R899 PolarHBondContact O-N 2.91Å; R899-A902 PolarHBondContact O-N 2.71Å; R899-Y903 HydrophobicContact CG-CD2 4.03Å; R899-Y903 HydrophobicContact CG-CE2 3.54Å; R899-Y903 VanDerWaalsContact NE-CE2 3.32Å; R899-Y903 PolarHBondContact NE-OH 2.94Å; R899-Y903 VanDerWaalsContact NE-OH 3.12Å; R899-Y903 PolarHBondContact NH2-OH 3.36Å; R899-Y903 VanDerWaalsContact O-CD2 3.24Å; R899-Y903 WeakPolarHBondContact O-CD2 3.24Å; R899-Y903 PolarHBondContact O-N 3.41Å; R899-Y903 VanDerWaalsContact O-N 3.07Å |
| 900 | G | 93.3 | Very high | 89 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q896 L897 Y903 F904 | Q896-G900 PolarHBondContact O-N 2.92Å; L897-G900 PolarHBondContact O-N 2.98Å; L897-G900 VanDerWaalsContact O-N 3.12Å; G900-Y903 PolarHBondContact O-N 3.1Å; G900-F904 WeakPolarHBondContact O-CB 3.27Å; G900-F904 PolarHBondContact O-N 3.47Å |
| 901 | L | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 174.7 | -63.8 | 179.1 | 0 | 0 | 0 | 112.1 | L882 L885 W886 L897 Y903 F904 F905 | L882-L901 HydrophobicContact CB-CD2 4.38Å; L882-L901 HydrophobicContact CD2-CD2 4.07Å; L885-L901 HydrophobicContact CG-CD1 4.49Å; W886-L901 HydrophobicContact CB-CB 4.2Å; W886-L901 HydrophobicContact CB-CD1 3.85Å; W886-L901 HydrophobicContact CG-CB 4.02Å; W886-L901 HydrophobicContact CG-CD1 4.47Å; L897-L901 HydrophobicContact CD1-CD1 3.7Å; L897-L901 HydrophobicContact CD1-CD2 4.47Å; L897-L901 HydrophobicContact CD1-CG 3.86Å; L897-L901 HydrophobicContact CG-CD1 4.17Å; L897-L901 WeakPolarHBondContact O-CG 3.44Å; L897-L901 PolarHBondContact O-N 3.38Å; L901-Y903 VanDerWaalsContact C-N 3.33Å; L901-Y903 PolarHBondContact O-N 2.91Å; L901-F904 PolarHBondContact O-N 3.07Å; L901-F905 HydrophobicContact CB-CD2 4.37Å; L901-F905 HydrophobicContact CB-CE2 4.34Å; L901-F905 VanDerWaalsContact O-CD2 3.23Å; L901-F905 WeakPolarHBondContact O-CD2 3.5Å; L901-F905 PolarHBondContact O-N 3.28Å |
| 902 | A | 92.6 | Very high | 86.6 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W886 R898 R899 A906 | W886-A902 HydrophobicContact CH2-CB 4.36Å; W886-A902 HydrophobicContact CZ2-CB 3.5Å; W886-A902 VanDerWaalsContact CZ2-CB 3.5Å; R898-A902 VanDerWaalsContact O-CB 3.22Å; R898-A902 WeakPolarHBondContact O-CB 3.35Å; R898-A902 PolarHBondContact O-N 2.97Å; R898-A902 VanDerWaalsContact O-N 3.1Å; R899-A902 PolarHBondContact O-N 2.71Å; A902-A906 WeakPolarHBondContact O-CB 3.43Å; A902-A906 PolarHBondContact O-N 3.46Å |
| 903 | Y | 90.9 | Very high | 85 | Confident | 108 Ų | 108 | 51.7 Ų | 51.7 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.8 | -49.2 | 171 | -69 | -50.3 | 0 | 0 | 0 | 111.3 | R899 G900 L901 F905 A906 D907 | R899-Y903 HydrophobicContact CG-CD2 4.03Å; R899-Y903 HydrophobicContact CG-CE2 3.54Å; R899-Y903 VanDerWaalsContact NE-CE2 3.32Å; R899-Y903 PolarHBondContact NE-OH 2.94Å; R899-Y903 VanDerWaalsContact NE-OH 3.12Å; R899-Y903 PolarHBondContact NH2-OH 3.36Å; R899-Y903 VanDerWaalsContact O-CD2 3.24Å; R899-Y903 WeakPolarHBondContact O-CD2 3.24Å; R899-Y903 PolarHBondContact O-N 3.41Å; R899-Y903 VanDerWaalsContact O-N 3.07Å; G900-Y903 PolarHBondContact O-N 3.1Å; L901-Y903 VanDerWaalsContact C-N 3.33Å; L901-Y903 PolarHBondContact O-N 2.91Å; Y903-F905 PolarHBondContact O-N 3.03Å; Y903-A906 PolarHBondContact O-N 3.42Å; Y903-A906 VanDerWaalsContact O-N 3.09Å; Y903-D907 PolarHBondContact O-N 3.35Å |
| 904 | F | 94.6 | Very high | 83.1 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.9 | -53.1 | 178.8 | 163.9 | -107.5 | 0 | 0 | 0 | 112.2 | A865 L868 I869 L879 L882 G900 L901 A906 D907 Y908 | A865-F904 HydrophobicContact CB-CB 4.21Å; A865-F904 HydrophobicContact CB-CD1 3.98Å; A865-F904 HydrophobicContact CB-CD2 3.73Å; A865-F904 HydrophobicContact CB-CE1 4.32Å; A865-F904 HydrophobicContact CB-CE2 4.1Å; A865-F904 HydrophobicContact CB-CG 3.67Å; A865-F904 HydrophobicContact CB-CZ 4.39Å; A865-F904 VanDerWaalsContact O-CE2 3.32Å; A865-F904 WeakPolarHBondContact O-CE2 3.42Å; L868-F904 HydrophobicContact CB-CE2 3.84Å; L868-F904 HydrophobicContact CB-CZ 3.82Å; L868-F904 HydrophobicContact CD1-CE1 4.45Å; L868-F904 HydrophobicContact CD1-CZ 3.77Å; L868-F904 HydrophobicContact CG-CZ 4.43Å; I869-F904 HydrophobicContact CB-CD2 4.18Å; I869-F904 HydrophobicContact CB-CE2 4.09Å; I869-F904 HydrophobicContact CD1-CD2 4.33Å; L879-F904 HydrophobicContact CD2-CE1 3.87Å; L879-F904 HydrophobicContact CD2-CZ 3.74Å; L882-F904 HydrophobicContact CD1-CE1 4.08Å; G900-F904 WeakPolarHBondContact O-CB 3.27Å; G900-F904 PolarHBondContact O-N 3.47Å; L901-F904 PolarHBondContact O-N 3.07Å; F904-A906 VanDerWaalsContact C-N 3.3Å; F904-A906 PolarHBondContact O-N 2.8Å; F904-D907 PolarHBondContact O-N 3.37Å; F904-Y908 AromaticContact CE2-CD2 3.89Å; F904-Y908 HydrophobicContact CE2-CD2 3.89Å; F904-Y908 AromaticContact CE2-CG 3.94Å; F904-Y908 HydrophobicContact CE2-CG 3.94Å; F904-Y908 HydrophobicContact CZ-CD1 4.38Å; F904-Y908 HydrophobicContact CZ-CD2 4.24Å; F904-Y908 HydrophobicContact CZ-CG 4.04Å; F904-Y908 WeakPolarHBondContact O-CB 3.47Å; F904-Y908 PolarHBondContact O-N 3.43Å |
| 905 | F | 93.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.1 | -30.9 | -179.8 | -75.9 | -63 | 0 | 0 | 0 | 113.5 | L879 L882 L883 W886 L901 Y903 A909 L925 L960 | L879-F905 HydrophobicContact CD2-CE1 3.86Å; L882-F905 HydrophobicContact CB-CE2 4.16Å; L882-F905 HydrophobicContact CB-CZ 3.68Å; L883-F905 HydrophobicContact CB-CZ 4.29Å; L883-F905 HydrophobicContact CD2-CD1 4.1Å; L883-F905 HydrophobicContact CD2-CD2 4.16Å; L883-F905 HydrophobicContact CD2-CE1 3.78Å; L883-F905 HydrophobicContact CD2-CE2 3.86Å; L883-F905 HydrophobicContact CD2-CG 4.29Å; L883-F905 HydrophobicContact CD2-CZ 3.67Å; L883-F905 HydrophobicContact CG-CE1 3.73Å; L883-F905 HydrophobicContact CG-CE2 4.14Å; L883-F905 HydrophobicContact CG-CZ 3.53Å; W886-F905 HydrophobicContact CD2-CD2 4.37Å; W886-F905 AromaticContact CE3-CD2 3.69Å; W886-F905 HydrophobicContact CE3-CD2 3.69Å; W886-F905 HydrophobicContact CE3-CE2 4.12Å; W886-F905 HydrophobicContact CZ3-CB 4.41Å; W886-F905 HydrophobicContact CZ3-CD2 4Å; W886-F905 HydrophobicContact CZ3-CG 4.48Å; L901-F905 HydrophobicContact CB-CD2 4.37Å; L901-F905 HydrophobicContact CB-CE2 4.34Å; L901-F905 VanDerWaalsContact O-CD2 3.23Å; L901-F905 WeakPolarHBondContact O-CD2 3.5Å; L901-F905 PolarHBondContact O-N 3.28Å; Y903-F905 PolarHBondContact O-N 3.03Å; F905-A909 VanDerWaalsContact O-CB 3.3Å; F905-A909 WeakPolarHBondContact O-CB 3.27Å; F905-A909 PolarHBondContact O-N 3.03Å; F905-L925 HydrophobicContact CD1-CD1 4.29Å; F905-L925 HydrophobicContact CE1-CD1 4.35Å; F905-L960 HydrophobicContact CB-CD1 4.33Å |
| 906 | A | 87.1 | Confident | 79.4 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.7 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A902 Y903 F904 C910 | A902-A906 WeakPolarHBondContact O-CB 3.43Å; A902-A906 PolarHBondContact O-N 3.46Å; Y903-A906 PolarHBondContact O-N 3.42Å; Y903-A906 VanDerWaalsContact O-N 3.09Å; F904-A906 VanDerWaalsContact C-N 3.3Å; F904-A906 PolarHBondContact O-N 2.8Å; A906-C910 VanDerWaalsContact O-CB 3.25Å; A906-C910 WeakPolarHBondContact O-CB 3.35Å; A906-C910 PolarHBondContact O-N 3.48Å; A906-C910 PolarHBondContact O-SG 2.9Å; A906-C910 VanDerWaalsContact O-SG 3.42Å |
| 907 | D | 87.4 | Confident | 77.7 | Confident | 89 Ų | 89 | 51 Ų | 51 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -81.7 | -33.9 | -175.4 | -66.5 | -27.9 | 0 | 0 | 0 | 112.2 | I869 Y903 F904 C910 A911 | I869-D907 HydrophobicContact CD1-CB 4.11Å; Y903-D907 PolarHBondContact O-N 3.35Å; F904-D907 PolarHBondContact O-N 3.37Å; D907-C910 CarbonylContact O-C 3.53Å; D907-C910 VanDerWaalsContact O-C 3.31Å; D907-C910 PolarHBondContact O-N 2.82Å; D907-A911 PolarHBondContact O-N 2.87Å |
| 908 | Y | 89.3 | Confident | 76 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 172.1 | -171.8 | -103.8 | 0 | 0 | 0 | 112.1 | L868 I869 L879 F904 C910 A911 H921 | L868-Y908 HydrophobicContact CB-CE2 4.09Å; L868-Y908 WeakPolarHBondContact O-CE2 3.41Å; I869-Y908 HydrophobicContact CB-CD2 4.4Å; I869-Y908 HydrophobicContact CG1-CD2 4.41Å; L879-Y908 HydrophobicContact CD1-CE1 3.79Å; L879-Y908 HydrophobicContact CD2-CD1 4.06Å; L879-Y908 HydrophobicContact CD2-CE1 3.78Å; L879-Y908 HydrophobicContact CG-CE1 4.43Å; F904-Y908 AromaticContact CE2-CD2 3.89Å; F904-Y908 HydrophobicContact CE2-CD2 3.89Å; F904-Y908 AromaticContact CE2-CG 3.94Å; F904-Y908 HydrophobicContact CE2-CG 3.94Å; F904-Y908 HydrophobicContact CZ-CD1 4.38Å; F904-Y908 HydrophobicContact CZ-CD2 4.24Å; F904-Y908 HydrophobicContact CZ-CG 4.04Å; F904-Y908 WeakPolarHBondContact O-CB 3.47Å; F904-Y908 PolarHBondContact O-N 3.43Å; Y908-C910 VanDerWaalsContact C-N 3.34Å; Y908-A911 WeakPolarHBondContact O-CB 3.25Å; Y908-A911 PolarHBondContact O-N 3.48Å; Y908-H921 HydrophobicContact CD1-CB 4.24Å; Y908-H921 HydrophobicContact CD2-CB 4.49Å; Y908-H921 AromaticContact CD2-ND1 3.64Å; Y908-H921 HydrophobicContact CE1-CB 3.81Å; Y908-H921 HydrophobicContact CE2-CB 4.09Å; Y908-H921 AromaticContact CE2-CD2 3.7Å; Y908-H921 AromaticContact CE2-CE1 3.77Å; Y908-H921 AromaticContact CE2-CG 3.51Å; Y908-H921 AromaticContact CE2-ND1 3.55Å; Y908-H921 AromaticContact CE2-NE2 3.85Å; Y908-H921 AromaticContact CZ-CD2 3.82Å; Y908-H921 AromaticContact CZ-CG 3.6Å |
| 909 | A | 85.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.3 | -33.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F905 Q922 L925 L960 L966 | F905-A909 VanDerWaalsContact O-CB 3.3Å; F905-A909 WeakPolarHBondContact O-CB 3.27Å; F905-A909 PolarHBondContact O-N 3.03Å; A909-Q922 PolarHBondContact O-NE2 2.84Å; A909-L925 HydrophobicContact CB-CD2 4.33Å; A909-L960 HydrophobicContact CB-CB 4.33Å; A909-L960 HydrophobicContact CB-CD2 4.15Å; A909-L966 HydrophobicContact CB-CD1 4.37Å; A909-L966 HydrophobicContact CB-CD2 4.21Å |
| 910 | C | 78.4 | Confident | 74.2 | Confident | 29 Ų | 29 | 50 Ų | 50 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 6.4 | 178.3 | -81 | 0 | 0 | 0 | 0 | 114.7 | A906 D907 Y908 N912 L966 | A906-C910 VanDerWaalsContact O-CB 3.25Å; A906-C910 WeakPolarHBondContact O-CB 3.35Å; A906-C910 PolarHBondContact O-N 3.48Å; A906-C910 PolarHBondContact O-SG 2.9Å; A906-C910 VanDerWaalsContact O-SG 3.42Å; D907-C910 CarbonylContact O-C 3.53Å; D907-C910 VanDerWaalsContact O-C 3.31Å; D907-C910 PolarHBondContact O-N 2.82Å; Y908-C910 VanDerWaalsContact C-N 3.34Å; C910-N912 PolarHBondContact O-N 3.49Å; C910-L966 WeakPolarHBondContact SG-CD2 3.08Å |
| 911 | A | 72.6 | Confident | 73.7 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | trans | -65.2 | 104.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D907 Y908 G913 A918 H921 | D907-A911 PolarHBondContact O-N 2.87Å; Y908-A911 WeakPolarHBondContact O-CB 3.25Å; Y908-A911 PolarHBondContact O-N 3.48Å; A911-G913 VanDerWaalsContact C-N 3.26Å; A911-G913 PolarHBondContact O-N 3.48Å; A911-A918 WeakPolarHBondContact O-CB 3.34Å; A911-H921 WeakPolarHBondContact CB-ND1 3.33Å | ||
| 912 | N | 52.4 | Low | 73.2 | Confident | 119 Ų | 119 | 50.3 Ų | 50.3 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | trans | -79.3 | 64.6 | -172.3 | -75.7 | -39.9 | 0 | 0 | 0 | 112.9 | C910 I914 | C910-N912 PolarHBondContact O-N 3.49Å; N912-I914 PolarHBondContact O-N 3.1Å | ||
| 913 | G | 49.2 | Very low | 72.9 | Confident | 26 Ų | 26 | 51 Ų | 51 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | trans | -66.9 | 124.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A911 G915 | A911-G913 VanDerWaalsContact C-N 3.26Å; A911-G913 PolarHBondContact O-N 3.48Å; G913-G915 PolarHBondContact O-N 3.27Å; G913-G915 VanDerWaalsContact O-N 3.07Å | ||
| 914 | I | 42.7 | Very low | 72.9 | Confident | 181 Ų | 181 | 46.1 Ų | 46.1 | 93% | 0.928 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -84.3 | 71.1 | 172.1 | -52.9 | 178.1 | 0 | 0 | 0 | 107.9 | N912 | N912-I914 PolarHBondContact O-N 3.1Š|
| 915 | G | 49.5 | Very low | 72.8 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 161.5 | -146.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G913 D917 | G913-G915 PolarHBondContact O-N 3.27Å; G913-G915 VanDerWaalsContact O-N 3.07Å; G915-D917 VanDerWaalsContact C-N 3.31Å |
| 916 | M | 48.6 | Very low | 72.7 | Confident | 130 Ų | 130 | 45.6 Ų | 45.6 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -70 | -26.1 | 178.1 | -77.4 | -179.2 | 56.4 | 0 | 0 | 113.3 | A918 F919 E920 | M916-A918 PolarHBondContact O-N 3.41Å; M916-F919 CarbonylContact O-C 3.59Å; M916-F919 WeakPolarHBondContact O-CA 3.21Å; M916-F919 VanDerWaalsContact O-CB 3.3Å; M916-F919 WeakPolarHBondContact O-CB 3.06Å; M916-F919 PolarHBondContact O-N 3.47Å; M916-E920 PolarHBondContact O-N 3.48Å |
| 917 | D | 49.9 | Very low | 72.9 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | -167.9 | -26 | -42.9 | 0 | 0 | 0 | 112.3 | G915 F919 E920 H921 | G915-D917 VanDerWaalsContact C-N 3.31Å; D917-F919 PolarHBondContact O-N 2.86Å; D917-E920 WeakPolarHBondContact O-CB 3.38Å; D917-E920 PolarHBondContact O-N 3.45Å; D917-H921 PolarHBondContact O-N 3.26Å |
| 918 | A | 58 | Low | 73.3 | Confident | 25 Ų | 25 | 43 Ų | 43 | 21% | 0.207 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -28.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A911 M916 Q922 | A911-A918 WeakPolarHBondContact O-CB 3.34Å; M916-A918 PolarHBondContact O-N 3.41Å; A918-Q922 PolarHBondContact O-N 3.39Å |
| 919 | F | 67.8 | Low | 73.6 | Confident | 98 Ų | 98 | 43 Ų | 43 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -78.8 | -33.5 | 175.9 | 179.4 | -88.2 | 0 | 0 | 0 | 111.6 | M916 D917 S923 P1016 H1017 | M916-F919 CarbonylContact O-C 3.59Å; M916-F919 WeakPolarHBondContact O-CA 3.21Å; M916-F919 VanDerWaalsContact O-CB 3.3Å; M916-F919 WeakPolarHBondContact O-CB 3.06Å; M916-F919 PolarHBondContact O-N 3.47Å; D917-F919 PolarHBondContact O-N 2.86Å; F919-S923 WeakPolarHBondContact O-CB 3.48Å; F919-S923 PolarHBondContact O-N 3.44Å; F919-P1016 HydrophobicContact CD2-CG 4.2Å; F919-P1016 HydrophobicContact CE2-CB 4.11Å; F919-P1016 HydrophobicContact CE2-CG 3.67Å; F919-H1017 AromaticContact CD2-CE1 3.36Å; F919-H1017 WeakPolarHBondContact CD2-CE1 3.15Å; F919-H1017 AromaticContact CD2-NE2 3.32Å; F919-H1017 VanDerWaalsContact CD2-NE2 3.32Å; F919-H1017 WeakPolarHBondContact CD2-NE2 3.31Å; F919-H1017 AromaticContact CE2-CE1 3.5Å; F919-H1017 VanDerWaalsContact CE2-CE1 3.5Å; F919-H1017 WeakPolarHBondContact CE2-CE1 3.29Å; F919-H1017 AromaticContact CE2-NE2 3.77Å; F919-H1017 AromaticContact CG-CE1 3.87Å; F919-H1017 AromaticContact CG-NE2 3.99Å; F919-H1017 PolarHBondContact O-CE1 3.26Å |
| 920 | E | 78.3 | Confident | 74 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -50.6 | 172.7 | -72.1 | -90.1 | 163.3 | 0 | 0 | 111.2 | R829 M916 D917 S923 A924 | R829-E920 IonicContact CZ-OE1 2.71Å; R829-E920 IonicContact CZ-OE2 2.67Å; R829-E920 IonicContact NH1-OE1 2.57Å; R829-E920 PolarHBondContact NH1-OE1 2.83Å; R829-E920 IonicContact NH1-OE2 3.21Å; R829-E920 PolarHBondContact NH1-OE2 2.87Å; R829-E920 IonicContact NH2-OE2 3.18Å; M916-E920 PolarHBondContact O-N 3.48Å; D917-E920 WeakPolarHBondContact O-CB 3.38Å; D917-E920 PolarHBondContact O-N 3.45Å; E920-S923 PolarHBondContact O-N 3.21Å; E920-A924 WeakPolarHBondContact O-CB 3.25Å; E920-A924 PolarHBondContact O-N 3.37Å |
| 921 | H | 84.4 | Confident | 74.7 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | -179.1 | -67.6 | -172.9 | 0 | 0 | 0 | 112.3 | D871 Y908 A911 D917 S923 A924 L925 | D871-H921 IonicContact OD1-CD2 2.73Å; D871-H921 IonicContact OD1-CE1 3.45Å; D871-H921 PolarHBondContact OD1-CE1 3.16Å; D871-H921 VanDerWaalsContact OD1-CE1 3.31Å; D871-H921 IonicContact OD1-NE2 3.31Å; D871-H921 PolarHBondContact OD1-NE2 3.1Å; Y908-H921 HydrophobicContact CD1-CB 4.24Å; Y908-H921 HydrophobicContact CD2-CB 4.49Å; Y908-H921 AromaticContact CD2-ND1 3.64Å; Y908-H921 HydrophobicContact CE1-CB 3.81Å; Y908-H921 HydrophobicContact CE2-CB 4.09Å; Y908-H921 AromaticContact CE2-CD2 3.7Å; Y908-H921 AromaticContact CE2-CE1 3.77Å; Y908-H921 AromaticContact CE2-CG 3.51Å; Y908-H921 AromaticContact CE2-ND1 3.55Å; Y908-H921 AromaticContact CE2-NE2 3.85Å; Y908-H921 AromaticContact CZ-CD2 3.82Å; Y908-H921 AromaticContact CZ-CG 3.6Å; A911-H921 WeakPolarHBondContact CB-ND1 3.33Å; D917-H921 PolarHBondContact O-N 3.26Å; H921-S923 VanDerWaalsContact C-N 3.33Å; H921-S923 PolarHBondContact O-N 3.06Å; H921-A924 PolarHBondContact O-N 3.06Å; H921-L925 PolarHBondContact O-N 3.18Å |
| 922 | Q | 84.8 | Confident | 75.8 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.6 | -28 | 178.2 | -69.4 | -177.9 | 23 | 0 | 0 | 112.6 | A909 A918 T926 L966 H1017 | A909-Q922 PolarHBondContact O-NE2 2.84Å; A918-Q922 PolarHBondContact O-N 3.39Å; Q922-T926 WeakPolarHBondContact O-CB 3.4Å; Q922-T926 PolarHBondContact O-N 2.96Å; Q922-T926 PolarHBondContact O-OG1 2.98Å; Q922-L966 VanDerWaalsContact NE2-CD1 3.29Å; Q922-H1017 PolarHBondContact OE1-CD2 2.82Å |
| 923 | S | 86.6 | Confident | 77.8 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.6 | -44.4 | 170.7 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | F919 E920 H921 T926 N927 H1017 | F919-S923 WeakPolarHBondContact O-CB 3.48Å; F919-S923 PolarHBondContact O-N 3.44Å; E920-S923 PolarHBondContact O-N 3.21Å; H921-S923 VanDerWaalsContact C-N 3.33Å; H921-S923 PolarHBondContact O-N 3.06Å; S923-T926 WeakPolarHBondContact O-CB 3.37Å; S923-T926 PolarHBondContact O-N 3.37Å; S923-N927 VanDerWaalsContact O-CG 3.25Å; S923-N927 PolarHBondContact O-N 2.84Å; S923-N927 PolarHBondContact O-ND2 2.61Å; S923-H1017 PolarHBondContact N-CE1 3.24Å |
| 924 | A | 90.2 | Very high | 79.9 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V874 S876 L879 E920 H921 N927 A928 | V874-A924 HydrophobicContact CG1-CB 3.42Å; V874-A924 VanDerWaalsContact CG1-CB 3.42Å; S876-A924 VanDerWaalsContact CB-O 3.27Å; S876-A924 WeakPolarHBondContact CB-O 3.43Å; L879-A924 HydrophobicContact CD1-CB 3.62Å; E920-A924 WeakPolarHBondContact O-CB 3.25Å; E920-A924 PolarHBondContact O-N 3.37Å; H921-A924 PolarHBondContact O-N 3.06Å; A924-N927 PolarHBondContact O-N 3.29Å; A924-A928 PolarHBondContact O-N 2.73Å |
| 925 | L | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 174.4 | -172.5 | 63.5 | 0 | 0 | 0 | 112 | L883 F905 A909 H921 N927 A928 V929 L957 L960 | L883-L925 HydrophobicContact CD1-CD1 4.24Å; F905-L925 HydrophobicContact CD1-CD1 4.29Å; F905-L925 HydrophobicContact CE1-CD1 4.35Å; A909-L925 HydrophobicContact CB-CD2 4.33Å; H921-L925 PolarHBondContact O-N 3.18Å; L925-N927 PolarHBondContact O-N 3.21Å; L925-A928 WeakPolarHBondContact O-CB 3.47Å; L925-A928 PolarHBondContact O-N 3.26Å; L925-A928 VanDerWaalsContact O-N 3.15Å; L925-V929 WeakPolarHBondContact O-CG2 3.49Å; L925-V929 PolarHBondContact O-N 2.93Å; L925-L957 HydrophobicContact CD1-CD2 4.48Å; L925-L960 HydrophobicContact CD2-CB 3.77Å |
| 926 | T | 92.2 | Very high | 84.4 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | Q922 S923 A928 V929 H1017 R1020 L1021 | Q922-T926 WeakPolarHBondContact O-CB 3.4Å; Q922-T926 PolarHBondContact O-N 2.96Å; Q922-T926 PolarHBondContact O-OG1 2.98Å; S923-T926 WeakPolarHBondContact O-CB 3.37Å; S923-T926 PolarHBondContact O-N 3.37Å; T926-A928 VanDerWaalsContact C-N 3.27Å; T926-A928 PolarHBondContact O-N 2.98Å; T926-V929 WeakPolarHBondContact O-CB 3.42Å; T926-V929 PolarHBondContact O-N 3.43Å; T926-H1017 WeakPolarHBondContact OG1-CB 3.36Å; T926-R1020 HydrophobicContact CG2-CB 4.27Å; T926-R1020 HydrophobicContact CG2-CG 4.06Å; T926-L1021 HydrophobicContact CG2-CD2 3.88Å; T926-L1021 HydrophobicContact CG2-CG 3.9Å |
| 927 | N | 92.2 | Very high | 86.5 | Confident | 57 Ų | 57 | 27.5 Ų | 27.5 | 31% | 0.305 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.7 | -28 | 177.9 | -66.1 | -27.9 | 0 | 0 | 0 | 112 | S923 A924 L925 V929 P931 | S923-N927 VanDerWaalsContact O-CG 3.25Å; S923-N927 PolarHBondContact O-N 2.84Å; S923-N927 PolarHBondContact O-ND2 2.61Å; A924-N927 PolarHBondContact O-N 3.29Å; L925-N927 PolarHBondContact O-N 3.21Å; N927-V929 VanDerWaalsContact C-N 3.34Å; N927-V929 PolarHBondContact O-N 3.36Å; N927-P931 WeakPolarHBondContact O-CD 3.24Å |
| 928 | A | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.6 | -18.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S876 L879 L883 A924 L925 T926 T932 | S876-A928 VanDerWaalsContact O-CB 3.26Å; S876-A928 WeakPolarHBondContact O-CB 3.45Å; L879-A928 HydrophobicContact CB-CB 3.88Å; L883-A928 HydrophobicContact CD1-CB 4.49Å; A924-A928 PolarHBondContact O-N 2.73Å; L925-A928 WeakPolarHBondContact O-CB 3.47Å; L925-A928 PolarHBondContact O-N 3.26Å; L925-A928 VanDerWaalsContact O-N 3.15Å; T926-A928 VanDerWaalsContact C-N 3.27Å; T926-A928 PolarHBondContact O-N 2.98Å; A928-T932 WeakPolarHBondContact O-CB 3.45Å; A928-T932 PolarHBondContact O-N 3.41Å; A928-T932 VanDerWaalsContact O-N 3.15Å; A928-T932 PolarHBondContact O-OG1 2.9Å |
| 929 | V | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -56 | -176.6 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | L925 T926 N927 T932 L933 L957 T961 L1021 M1044 | L925-V929 WeakPolarHBondContact O-CG2 3.49Å; L925-V929 PolarHBondContact O-N 2.93Å; T926-V929 WeakPolarHBondContact O-CB 3.42Å; T926-V929 PolarHBondContact O-N 3.43Å; N927-V929 VanDerWaalsContact C-N 3.34Å; N927-V929 PolarHBondContact O-N 3.36Å; V929-T932 PolarHBondContact O-N 2.75Å; V929-L933 HydrophobicContact CG1-CD1 3.85Å; V929-L933 HydrophobicContact CG1-CG 4.38Å; V929-L933 WeakPolarHBondContact O-CG 3.17Å; V929-L933 PolarHBondContact O-N 3.19Å; V929-L957 HydrophobicContact CB-CD1 4.49Å; V929-L957 HydrophobicContact CG1-CD1 4.2Å; V929-L957 HydrophobicContact CG2-CB 4.2Å; V929-L957 HydrophobicContact CG2-CD1 4.3Å; V929-T961 HydrophobicContact CG2-CG2 4.4Å; V929-L1021 HydrophobicContact CB-CD2 3.85Å; V929-L1021 HydrophobicContact CG1-CD2 4.03Å; V929-L1021 HydrophobicContact CG2-CD2 3.89Å; V929-M1044 HydrophobicContact CG1-CE 3.74Å; V929-M1044 HydrophobicContact CG1-SD 3.86Å |
| 930 | L | 93.8 | Very high | 91.3 | Very high | 37 Ų | 37 | 31.3 Ų | 31.3 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | -173.7 | 178 | 64.9 | 0 | 0 | 0 | 112.6 | T932 T934 I1024 L1025 E1028 Y1041 | L930-T932 PolarHBondContact O-N 3.2Å; L930-T934 VanDerWaalsContact O-CB 3.23Å; L930-T934 WeakPolarHBondContact O-CB 3.4Å; L930-T934 PolarHBondContact O-N 3.43Å; L930-T934 PolarHBondContact O-OG1 3.16Å; L930-I1024 HydrophobicContact CB-CG2 4.31Å; L930-I1024 HydrophobicContact CD2-CG2 3.67Å; L930-L1025 HydrophobicContact CD1-CD2 4.39Å; L930-E1028 HydrophobicContact CD1-CG 4.05Å; L930-E1028 HydrophobicContact CD2-CG 3.78Å; L930-Y1041 HydrophobicContact CD1-CE1 4.18Å; L930-Y1041 HydrophobicContact CD1-CE2 4.14Å |
| 931 | P | 93.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 37% | 0.37 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.8 | -47.4 | 172 | -26.7 | 35.4 | 0 | 0 | 0 | 112.6 | N927 L933 T934 T935 | N927-P931 WeakPolarHBondContact O-CD 3.24Å; P931-L933 PolarHBondContact O-N 3.15Å; P931-T934 PolarHBondContact O-N 3.32Å; P931-T935 PolarHBondContact O-N 3.46Å; P931-T935 PolarHBondContact O-OG1 2.86Å; P931-T935 VanDerWaalsContact O-OG1 3.06Å |
| 932 | T | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -51.5 | -179 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | S880 L883 L884 A928 V929 L930 T935 L936 | S880-T932 WeakPolarHBondContact CA-OG1 3.39Å; S880-T932 WeakPolarHBondContact CB-OG1 3.45Å; S880-T932 WeakPolarHBondContact OG-CA 3.2Å; S880-T932 PolarHBondContact OG-N 3.47Å; S880-T932 PolarHBondContact OG-OG1 2.87Å; L883-T932 HydrophobicContact CB-CG2 3.82Å; L883-T932 HydrophobicContact CD1-CG2 4.19Å; L884-T932 HydrophobicContact CD2-CG2 4.09Å; L884-T932 HydrophobicContact CG-CG2 4.25Å; A928-T932 WeakPolarHBondContact O-CB 3.45Å; A928-T932 PolarHBondContact O-N 3.41Å; A928-T932 VanDerWaalsContact O-N 3.15Å; A928-T932 PolarHBondContact O-OG1 2.9Å; V929-T932 PolarHBondContact O-N 2.75Å; L930-T932 PolarHBondContact O-N 3.2Å; T932-T935 PolarHBondContact O-N 2.85Å; T932-L936 HydrophobicContact CG2-CD1 4.41Å; T932-L936 WeakPolarHBondContact O-CG 3.32Å; T932-L936 PolarHBondContact O-N 3.46Å; T932-L936 VanDerWaalsContact O-N 3.1Å |
| 933 | L | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 179.7 | -63.9 | 179.5 | 0 | 0 | 0 | 111.7 | V929 P931 T935 L936 I937 V953 A954 L957 L1040 Y1041 M1044 | V929-L933 HydrophobicContact CG1-CD1 3.85Å; V929-L933 HydrophobicContact CG1-CG 4.38Å; V929-L933 WeakPolarHBondContact O-CG 3.17Å; V929-L933 PolarHBondContact O-N 3.19Å; P931-L933 PolarHBondContact O-N 3.15Å; L933-T935 VanDerWaalsContact C-N 3.33Å; L933-T935 PolarHBondContact O-N 3.47Å; L933-L936 PolarHBondContact O-N 3.43Å; L933-I937 HydrophobicContact CB-CD1 4.43Å; L933-I937 WeakPolarHBondContact O-CD1 3.23Å; L933-I937 WeakPolarHBondContact O-CG1 3.49Å; L933-I937 PolarHBondContact O-N 3.23Å; L933-V953 HydrophobicContact CD2-CB 4.35Å; L933-V953 HydrophobicContact CD2-CG1 4.17Å; L933-A954 HydrophobicContact CD1-CB 4.06Å; L933-A954 HydrophobicContact CD2-CB 4Å; L933-L957 HydrophobicContact CD2-CD1 4.33Å; L933-L957 HydrophobicContact CG-CD1 4.42Å; L933-L1040 HydrophobicContact CD2-CD2 4.46Å; L933-Y1041 HydrophobicContact CB-CE1 3.98Å; L933-Y1041 HydrophobicContact CD1-CD1 4.38Å; L933-Y1041 HydrophobicContact CD1-CE1 4.27Å; L933-M1044 HydrophobicContact CD1-SD 3.86Å |
| 934 | T | 93.5 | Very high | 92.5 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | L930 P931 R938 Y1041 | L930-T934 VanDerWaalsContact O-CB 3.23Å; L930-T934 WeakPolarHBondContact O-CB 3.4Å; L930-T934 PolarHBondContact O-N 3.43Å; L930-T934 PolarHBondContact O-OG1 3.16Å; P931-T934 PolarHBondContact O-N 3.32Å; T934-R938 WeakPolarHBondContact O-CB 3.26Å; T934-R938 VanDerWaalsContact O-CG 3.31Å; T934-R938 WeakPolarHBondContact O-CG 3.35Å; T934-R938 PolarHBondContact O-N 3.07Å; T934-R938 VanDerWaalsContact O-N 3.17Å; T934-Y1041 PolarHBondContact OG1-OH 3.23Å |
| 935 | T | 93 | Very high | 92.6 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 177.6 | -60.1 | 0 | 0 | 0 | 0 | 112 | L884 P931 T932 L933 R938 A939 L945 | L884-T935 HydrophobicContact CD1-CG2 3.76Å; L884-T935 HydrophobicContact CD2-CG2 4.04Å; P931-T935 PolarHBondContact O-N 3.46Å; P931-T935 PolarHBondContact O-OG1 2.86Å; P931-T935 VanDerWaalsContact O-OG1 3.06Å; T932-T935 PolarHBondContact O-N 2.85Å; L933-T935 VanDerWaalsContact C-N 3.33Å; L933-T935 PolarHBondContact O-N 3.47Å; T935-R938 PolarHBondContact O-N 2.88Å; T935-A939 PolarHBondContact O-N 3.24Å; T935-L945 HydrophobicContact CG2-CD1 4.44Å |
| 936 | L | 93.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 176.1 | -69.9 | 173 | 0 | 0 | 0 | 112.3 | L884 T932 L933 R938 A939 L945 V948 V953 | L884-L936 HydrophobicContact CD2-CD2 3.77Å; L884-L936 HydrophobicContact CD2-CG 3.78Å; T932-L936 HydrophobicContact CG2-CD1 4.41Å; T932-L936 WeakPolarHBondContact O-CG 3.32Å; T932-L936 PolarHBondContact O-N 3.46Å; T932-L936 VanDerWaalsContact O-N 3.1Å; L933-L936 PolarHBondContact O-N 3.43Å; L936-R938 PolarHBondContact O-N 3.06Å; L936-A939 WeakPolarHBondContact O-CB 3.42Å; L936-A939 PolarHBondContact O-N 3.47Å; L936-L945 HydrophobicContact CD2-CB 4.29Å; L936-L945 HydrophobicContact CD2-CD2 4.01Å; L936-V948 HydrophobicContact CD1-CG1 4.48Å; L936-V948 HydrophobicContact CD2-CB 4.18Å; L936-V948 HydrophobicContact CD2-CG1 4.18Å; L936-V953 HydrophobicContact CD1-CB 4.05Å; L936-V953 HydrophobicContact CD1-CG1 3.9Å; L936-V953 HydrophobicContact CD1-CG2 3.86Å |
| 937 | I | 91.3 | Very high | 92.6 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.1 | -24.4 | -177.6 | -54.8 | 152 | 0 | 0 | 0 | 111.8 | L933 P950 E1037 L1040 Y1041 | L933-I937 HydrophobicContact CB-CD1 4.43Å; L933-I937 WeakPolarHBondContact O-CD1 3.23Å; L933-I937 WeakPolarHBondContact O-CG1 3.49Å; L933-I937 PolarHBondContact O-N 3.23Å; I937-P950 HydrophobicContact CG1-CB 4.31Å; I937-P950 HydrophobicContact CG1-CG 4.41Å; I937-E1037 HydrophobicContact CB-CG 4.3Å; I937-E1037 HydrophobicContact CD1-CB 4.09Å; I937-E1037 HydrophobicContact CD1-CG 4.11Å; I937-E1037 HydrophobicContact CG2-CB 4.44Å; I937-E1037 HydrophobicContact CG2-CG 3.55Å; I937-L1040 HydrophobicContact CD1-CD2 3.63Å; I937-L1040 HydrophobicContact CG1-CD2 3.94Å; I937-Y1041 HydrophobicContact CD1-CE1 3.84Å |
| 938 | R | 91.9 | Very high | 92.6 | Very high | 163 Ų | 163 | 50 Ų | 50 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.5 | -179.8 | -62.4 | 179.3 | -176.5 | 173.3 | 2.3 | 113.5 | T934 T935 L936 E1037 | T934-R938 WeakPolarHBondContact O-CB 3.26Å; T934-R938 VanDerWaalsContact O-CG 3.31Å; T934-R938 WeakPolarHBondContact O-CG 3.35Å; T934-R938 PolarHBondContact O-N 3.07Å; T934-R938 VanDerWaalsContact O-N 3.17Å; T935-R938 PolarHBondContact O-N 2.88Å; L936-R938 PolarHBondContact O-N 3.06Å; R938-E1037 IonicContact CZ-OE1 2.64Å; R938-E1037 VanDerWaalsContact CZ-OE1 3.29Å; R938-E1037 IonicContact NE-OE1 2.93Å; R938-E1037 PolarHBondContact NE-OE1 3.15Å; R938-E1037 IonicContact NH2-OE1 2.69Å; R938-E1037 PolarHBondContact NH2-OE1 3.5Å |
| 939 | A | 91.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | trans | -61.8 | 125.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | T935 L936 L945 | T935-A939 PolarHBondContact O-N 3.24Å; L936-A939 WeakPolarHBondContact O-CB 3.42Å; L936-A939 PolarHBondContact O-N 3.47Å; A939-L945 HydrophobicContact CB-CB 3.8Å | ||
| 940 | P | 92.9 | Very high | 92.4 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | trans | -68.3 | 155.7 | 174 | 30.1 | -34.9 | 0 | 0 | 0 | 110 | S942 S943 | P940-S942 PolarHBondContact O-N 2.87Å; P940-S943 WeakPolarHBondContact O-CB 3.47Å; P940-S943 PolarHBondContact O-N 3.34Å | ||
| 941 | A | 89.5 | Confident | 92.3 | Very high | 102 Ų | 102 | 56.1 Ų | 56.1 | 84% | 0.843 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -5.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 942 | S | 91.7 | Very high | 92.2 | Very high | 113 Ų | 113 | 58.4 Ų | 58.4 | 79% | 0.79 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -4 | 169.7 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | P940 | P940-S942 PolarHBondContact O-N 2.87Š|
| 943 | S | 90.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -100.7 | 135.9 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | P940 L945 S946 | P940-S943 WeakPolarHBondContact O-CB 3.47Å; P940-S943 PolarHBondContact O-N 3.34Å; S943-L945 PolarHBondContact O-N 3.5Å; S943-L945 VanDerWaalsContact O-N 3.13Å; S943-L945 PolarHBondContact OG-N 3.48Å; S943-S946 WeakPolarHBondContact O-CB 3.46Å; S943-S946 PolarHBondContact O-N 3.35Å; S943-S946 PolarHBondContact O-OG 3.37Å |
| 944 | P | 89 | Confident | 92.1 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 31% | 0.305 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -61.8 | -21.6 | 176.5 | 27.3 | -36.1 | 0 | 0 | 0 | 112.4 | N888 P889 V890 S946 E947 | N888-P944 VanDerWaalsContact OD1-CG 3.3Å; N888-P944 WeakPolarHBondContact OD1-CG 3.37Å; P889-P944 HydrophobicContact CB-CB 4.22Å; P889-P944 VanDerWaalsContact CD-O 3.25Å; P889-P944 WeakPolarHBondContact CD-O 3.25Å; P889-P944 HydrophobicContact CG-CB 4.12Å; P889-P944 VanDerWaalsContact CG-O 3.26Å; P889-P944 WeakPolarHBondContact CG-O 3.3Å; V890-P944 HydrophobicContact CG2-CB 4.32Å; V890-P944 HydrophobicContact CG2-CG 3.97Å; P944-S946 PolarHBondContact O-N 2.9Å; P944-S946 VanDerWaalsContact O-N 3.11Å; P944-E947 PolarHBondContact O-N 3.02Å; P944-E947 VanDerWaalsContact O-N 3.15Å |
| 945 | L | 92.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -61.1 | -17.7 | 172.7 | -66.7 | 176.1 | 0 | 0 | 0 | 113.8 | L884 N888 T935 L936 A939 S943 E947 V948 | L884-L945 HydrophobicContact CD2-CD1 4.34Å; N888-L945 HydrophobicContact CB-CD2 3.91Å; T935-L945 HydrophobicContact CG2-CD1 4.44Å; L936-L945 HydrophobicContact CD2-CB 4.29Å; L936-L945 HydrophobicContact CD2-CD2 4.01Å; A939-L945 HydrophobicContact CB-CB 3.8Å; S943-L945 PolarHBondContact O-N 3.5Å; S943-L945 VanDerWaalsContact O-N 3.13Å; S943-L945 PolarHBondContact OG-N 3.48Å; L945-E947 VanDerWaalsContact C-N 3.26Å; L945-E947 PolarHBondContact O-N 3.24Å; L945-V948 WeakPolarHBondContact O-CB 3.41Å; L945-V948 PolarHBondContact O-N 3.31Å |
| 946 | S | 91.6 | Very high | 92 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -74 | -12.1 | 176.6 | 66.3 | 0 | 0 | 0 | 0 | 114.4 | S943 P944 V948 | S943-S946 WeakPolarHBondContact O-CB 3.46Å; S943-S946 PolarHBondContact O-N 3.35Å; S943-S946 PolarHBondContact O-OG 3.37Å; P944-S946 PolarHBondContact O-N 2.9Å; P944-S946 VanDerWaalsContact O-N 3.11Å; S946-V948 VanDerWaalsContact C-N 3.34Å |
| 947 | E | 91.2 | Very high | 92 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 72% | 0.715 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -82.6 | -11.9 | 172.9 | -57.8 | -173.2 | 176.2 | 0 | 0 | 113 | P889 P944 L945 | P889-E947 HydrophobicContact CG-CB 4.06Å; P944-E947 PolarHBondContact O-N 3.02Å; P944-E947 VanDerWaalsContact O-N 3.15Å; L945-E947 VanDerWaalsContact C-N 3.26Å; L945-E947 PolarHBondContact O-N 3.24Å |
| 948 | V | 92.9 | Very high | 92 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.127 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -84.8 | 117.8 | -173.8 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | F887 L936 L945 S946 P950 V953 | F887-V948 HydrophobicContact CB-CG1 4.04Å; F887-V948 HydrophobicContact CB-CG2 4.41Å; F887-V948 HydrophobicContact CD1-CG1 4.39Å; F887-V948 HydrophobicContact CG-CG1 4.45Å; F887-V948 VanDerWaalsContact O-CG2 3.24Å; F887-V948 WeakPolarHBondContact O-CG2 3.44Å; L936-V948 HydrophobicContact CD1-CG1 4.48Å; L936-V948 HydrophobicContact CD2-CB 4.18Å; L936-V948 HydrophobicContact CD2-CG1 4.18Å; L945-V948 WeakPolarHBondContact O-CB 3.41Å; L945-V948 PolarHBondContact O-N 3.31Å; S946-V948 VanDerWaalsContact C-N 3.34Å; V948-P950 WeakPolarHBondContact O-CD 3.27Å; V948-V953 HydrophobicContact CG1-CG2 3.76Å |
| 949 | E | 92 | Very high | 91.9 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | trans | -66 | 108.9 | 173.7 | 173.8 | 51.8 | -113.9 | 0 | 0 | 111 | N951 D952 | E949-N951 HydrophobicContact CG-CB 4.14Å; E949-N951 PolarHBondContact O-N 3.39Å; E949-N951 VanDerWaalsContact O-N 3.16Å; E949-N951 WeakPolarHBondContact OE1-CB 3.33Å; E949-N951 PolarHBondContact OE1-N 3.11Å; E949-D952 PolarHBondContact O-N 3.28Å | ||
| 950 | P | 93 | Very high | 91.8 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.9 | -21 | -172.1 | -21.5 | 35.9 | 0 | 0 | 0 | 113.2 | I937 V948 D952 A954 L1040 | I937-P950 HydrophobicContact CG1-CB 4.31Å; I937-P950 HydrophobicContact CG1-CG 4.41Å; V948-P950 WeakPolarHBondContact O-CD 3.27Å; P950-D952 VanDerWaalsContact C-N 3.32Å; P950-D952 PolarHBondContact O-N 3.32Å; P950-A954 WeakPolarHBondContact O-CB 3.37Å; P950-A954 PolarHBondContact O-N 2.86Å; P950-L1040 HydrophobicContact CB-CD1 4.13Å; P950-L1040 HydrophobicContact CB-CD2 3.64Å |
| 951 | N | 91.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -35.1 | 178.9 | -172.9 | 100.9 | 0 | 0 | 0 | 112.2 | E949 S955 L1040 R1043 | E949-N951 HydrophobicContact CG-CB 4.14Å; E949-N951 PolarHBondContact O-N 3.39Å; E949-N951 VanDerWaalsContact O-N 3.16Å; E949-N951 WeakPolarHBondContact OE1-CB 3.33Å; E949-N951 PolarHBondContact OE1-N 3.11Å; N951-S955 VanDerWaalsContact O-CB 3.32Å; N951-S955 WeakPolarHBondContact O-CB 3.42Å; N951-S955 PolarHBondContact O-N 3.42Å; N951-S955 PolarHBondContact O-OG 2.88Å; N951-L1040 HydrophobicContact CB-CD1 3.97Å; N951-R1043 WeakPolarHBondContact OD1-CD 3.37Å; N951-R1043 PolarHBondContact OD1-NH1 3.21Å |
| 952 | D | 91.9 | Very high | 91.5 | Very high | 104 Ų | 104 | 42.4 Ų | 42.4 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -77.5 | -36.9 | -178.7 | -70.4 | -9.7 | 0 | 0 | 0 | 111.2 | E949 P950 S955 L956 | E949-D952 PolarHBondContact O-N 3.28Å; P950-D952 VanDerWaalsContact C-N 3.32Å; P950-D952 PolarHBondContact O-N 3.32Å; D952-S955 PolarHBondContact O-N 2.99Å; D952-L956 PolarHBondContact O-N 3.13Å |
| 953 | V | 94.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 170.4 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | F887 L933 L936 V948 S955 L956 L957 | F887-V953 HydrophobicContact CD1-CG2 3.85Å; F887-V953 HydrophobicContact CD2-CG1 4.11Å; F887-V953 HydrophobicContact CD2-CG2 3.94Å; F887-V953 HydrophobicContact CE1-CG2 3.93Å; F887-V953 HydrophobicContact CE2-CB 4.44Å; F887-V953 HydrophobicContact CE2-CG1 3.93Å; F887-V953 HydrophobicContact CE2-CG2 4.03Å; F887-V953 HydrophobicContact CG-CG2 3.86Å; F887-V953 HydrophobicContact CZ-CG1 4.48Å; F887-V953 HydrophobicContact CZ-CG2 4.02Å; L933-V953 HydrophobicContact CD2-CB 4.35Å; L933-V953 HydrophobicContact CD2-CG1 4.17Å; L936-V953 HydrophobicContact CD1-CB 4.05Å; L936-V953 HydrophobicContact CD1-CG1 3.9Å; L936-V953 HydrophobicContact CD1-CG2 3.86Å; V948-V953 HydrophobicContact CG1-CG2 3.76Å; V953-S955 VanDerWaalsContact C-N 3.31Å; V953-S955 PolarHBondContact O-N 3.32Å; V953-L956 PolarHBondContact O-N 3.01Å; V953-L956 VanDerWaalsContact O-N 3.17Å; V953-L957 HydrophobicContact CG1-CD1 3.97Å; V953-L957 HydrophobicContact CG1-CG 4.41Å; V953-L957 WeakPolarHBondContact O-CG 3.43Å; V953-L957 PolarHBondContact O-N 3.29Å |
| 954 | A | 94.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L933 P950 L956 L957 A958 M1044 | L933-A954 HydrophobicContact CD1-CB 4.06Å; L933-A954 HydrophobicContact CD2-CB 4Å; P950-A954 WeakPolarHBondContact O-CB 3.37Å; P950-A954 PolarHBondContact O-N 2.86Å; A954-L956 VanDerWaalsContact C-N 3.33Å; A954-L957 PolarHBondContact O-N 3.41Å; A954-A958 WeakPolarHBondContact O-CB 3.43Å; A954-A958 PolarHBondContact O-N 2.84Å; A954-M1044 HydrophobicContact CB-CB 4.31Å; A954-M1044 HydrophobicContact CB-CG 4.24Å; A954-M1044 HydrophobicContact CB-SD 4.23Å |
| 955 | S | 93.2 | Very high | 89.2 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.1 | -17.6 | 178.6 | -51.5 | 0 | 0 | 0 | 0 | 113.4 | N951 D952 V953 R959 Q1047 | N951-S955 VanDerWaalsContact O-CB 3.32Å; N951-S955 WeakPolarHBondContact O-CB 3.42Å; N951-S955 PolarHBondContact O-N 3.42Å; N951-S955 PolarHBondContact O-OG 2.88Å; D952-S955 PolarHBondContact O-N 2.99Å; V953-S955 VanDerWaalsContact C-N 3.31Å; V953-S955 PolarHBondContact O-N 3.32Å; S955-R959 PolarHBondContact O-NE 3.49Å; S955-Q1047 PolarHBondContact OG-NE2 3.18Å; S955-Q1047 PolarHBondContact OG-OE1 3.36Å |
| 956 | L | 92 | Very high | 88.2 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -79.7 | -49.1 | 165.5 | 179.8 | 63.7 | 0 | 0 | 0 | 111.3 | W886 F887 D952 V953 A954 A958 R959 L960 V1153 | W886-L956 HydrophobicContact CH2-CD2 3.55Å; W886-L956 HydrophobicContact CZ3-CD2 3.48Å; W886-L956 VanDerWaalsContact CZ3-CD2 3.48Å; F887-L956 HydrophobicContact CE2-CD2 4.25Å; F887-L956 HydrophobicContact CZ-CD2 3.77Å; D952-L956 PolarHBondContact O-N 3.13Å; V953-L956 PolarHBondContact O-N 3.01Å; V953-L956 VanDerWaalsContact O-N 3.17Å; A954-L956 VanDerWaalsContact C-N 3.33Å; L956-A958 VanDerWaalsContact C-N 3.3Å; L956-A958 PolarHBondContact O-N 2.72Å; L956-R959 WeakPolarHBondContact O-CA 3.33Å; L956-R959 WeakPolarHBondContact O-CB 3.47Å; L956-R959 PolarHBondContact O-N 3.29Å; L956-L960 HydrophobicContact CD1-CD1 4.26Å; L956-L960 HydrophobicContact CD1-CG 4.22Å; L956-L960 HydrophobicContact CD2-CD1 4.3Å; L956-L960 HydrophobicContact CG-CD1 3.92Å; L956-L960 HydrophobicContact CG-CG 4.28Å; L956-L960 PolarHBondContact O-N 3.35Å; L956-V1153 HydrophobicContact CD1-CG1 4.43Å |
| 957 | L | 93.4 | Very high | 87 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | -178.6 | -70 | 172 | 0 | 0 | 0 | 111.5 | L883 L925 V929 L933 V953 A954 R959 L960 T961 M1044 | L883-L957 HydrophobicContact CD1-CD2 3.73Å; L883-L957 HydrophobicContact CD2-CD2 3.97Å; L925-L957 HydrophobicContact CD1-CD2 4.48Å; V929-L957 HydrophobicContact CB-CD1 4.49Å; V929-L957 HydrophobicContact CG1-CD1 4.2Å; V929-L957 HydrophobicContact CG2-CB 4.2Å; V929-L957 HydrophobicContact CG2-CD1 4.3Å; L933-L957 HydrophobicContact CD2-CD1 4.33Å; L933-L957 HydrophobicContact CG-CD1 4.42Å; V953-L957 HydrophobicContact CG1-CD1 3.97Å; V953-L957 HydrophobicContact CG1-CG 4.41Å; V953-L957 WeakPolarHBondContact O-CG 3.43Å; V953-L957 PolarHBondContact O-N 3.29Å; A954-L957 PolarHBondContact O-N 3.41Å; L957-R959 PolarHBondContact O-N 2.67Å; L957-R959 VanDerWaalsContact O-N 3.14Å; L957-L960 PolarHBondContact O-N 2.94Å; L957-L960 VanDerWaalsContact O-N 3.08Å; L957-T961 PolarHBondContact O-N 3.31Å; L957-T961 PolarHBondContact O-OG1 3.27Å; L957-T961 VanDerWaalsContact O-OG1 3.12Å; L957-M1044 HydrophobicContact CB-CE 3.94Å |
| 958 | A | 92 | Very high | 85.4 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -21.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A954 L956 H1018 M1044 Q1047 L1048 | A954-A958 WeakPolarHBondContact O-CB 3.43Å; A954-A958 PolarHBondContact O-N 2.84Å; L956-A958 VanDerWaalsContact C-N 3.3Å; L956-A958 PolarHBondContact O-N 2.72Å; A958-H1018 PolarHBondContact O-NE2 2.96Å; A958-M1044 HydrophobicContact CB-CE 3.84Å; A958-M1044 HydrophobicContact CB-CG 4.26Å; A958-Q1047 HydrophobicContact CB-CB 4.38Å; A958-L1048 HydrophobicContact CB-CD2 4.04Å |
| 959 | R | 89.9 | Confident | 83.5 | Confident | 112 Ų | 112 | 45 Ų | 45 | 42% | 0.423 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -89.3 | -35.7 | 172.9 | -69.7 | -178.7 | -70.7 | 158.9 | -0 | 112.3 | S955 L956 L957 T961 D962 | S955-R959 PolarHBondContact O-NE 3.49Å; L956-R959 WeakPolarHBondContact O-CA 3.33Å; L956-R959 WeakPolarHBondContact O-CB 3.47Å; L956-R959 PolarHBondContact O-N 3.29Å; L957-R959 PolarHBondContact O-N 2.67Å; L957-R959 VanDerWaalsContact O-N 3.14Å; R959-T961 VanDerWaalsContact C-N 3.3Å; R959-D962 PolarHBondContact O-N 3.39Å |
| 960 | L | 88.8 | Confident | 81.5 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.5 | -19.3 | 177.6 | -64.5 | 175.3 | 0 | 0 | 0 | 113.1 | F905 A909 L925 L956 L957 L966 | F905-L960 HydrophobicContact CB-CD1 4.33Å; A909-L960 HydrophobicContact CB-CB 4.33Å; A909-L960 HydrophobicContact CB-CD2 4.15Å; L925-L960 HydrophobicContact CD2-CB 3.77Å; L956-L960 HydrophobicContact CD1-CD1 4.26Å; L956-L960 HydrophobicContact CD1-CG 4.22Å; L956-L960 HydrophobicContact CD2-CD1 4.3Å; L956-L960 HydrophobicContact CG-CD1 3.92Å; L956-L960 HydrophobicContact CG-CG 4.28Å; L956-L960 PolarHBondContact O-N 3.35Å; L957-L960 PolarHBondContact O-N 2.94Å; L957-L960 VanDerWaalsContact O-N 3.08Å; L960-L966 WeakPolarHBondContact O-CD1 3.4Å |
| 961 | T | 89.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.4 | 171.4 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | V929 L957 R959 T963 H1018 L1021 | V929-T961 HydrophobicContact CG2-CG2 4.4Å; L957-T961 PolarHBondContact O-N 3.31Å; L957-T961 PolarHBondContact O-OG1 3.27Å; L957-T961 VanDerWaalsContact O-OG1 3.12Å; R959-T961 VanDerWaalsContact C-N 3.3Å; T961-T963 PolarHBondContact O-N 3.3Å; T961-H1018 PolarHBondContact O-CD2 2.95Å; T961-H1018 PolarHBondContact O-NE2 2.77Å; T961-H1018 PolarHBondContact OG1-CD2 3.21Å; T961-H1018 PolarHBondContact OG1-NE2 3.23Å; T961-H1018 VanDerWaalsContact OG1-NE2 3.07Å; T961-L1021 HydrophobicContact CG2-CD1 4.1Å; T961-L1021 WeakPolarHBondContact OG1-CD1 3.31Å |
| 962 | D | 86.9 | Confident | 77 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | trans | -91.8 | 95.8 | -174.9 | -164.5 | -30.4 | 0 | 0 | 0 | 113.2 | R959 T964 H965 L966 N1015 H1018 R1049 | R959-D962 PolarHBondContact O-N 3.39Å; D962-T964 PolarHBondContact O-N 3.22Å; D962-T964 PolarHBondContact OD1-N 3.48Å; D962-T964 PolarHBondContact OD1-OG1 2.76Å; D962-H965 HydrophobicContact CB-CB 4.08Å; D962-H965 PolarHBondContact O-N 3.26Å; D962-H965 PolarHBondContact OD1-N 3.36Å; D962-H965 IonicContact OD2-CD2 2.65Å; D962-H965 PolarHBondContact OD2-CD2 2.85Å; D962-H965 VanDerWaalsContact OD2-CD2 3.29Å; D962-H965 IonicContact OD2-NE2 3.26Å; D962-L966 WeakPolarHBondContact O-CD1 3.35Å; D962-L966 VanDerWaalsContact O-CG 3.28Å; D962-L966 WeakPolarHBondContact O-CG 3.23Å; D962-L966 PolarHBondContact O-N 2.88Å; D962-L966 VanDerWaalsContact O-N 3.14Å; D962-N1015 WeakPolarHBondContact CA-ND2 3.1Å; D962-N1015 PolarHBondContact OD1-ND2 3.03Å; D962-H1018 VanDerWaalsContact CB-CE1 3.46Å; D962-H1018 WeakPolarHBondContact CB-CE1 2.97Å; D962-H1018 VanDerWaalsContact CG-CE1 3.48Å; D962-H1018 IonicContact OD2-CE1 2.78Å; D962-H1018 PolarHBondContact OD2-CE1 3.41Å; D962-R1049 VanDerWaalsContact CG-NH2 3.28Å; D962-R1049 IonicContact OD1-CZ 2.89Å; D962-R1049 IonicContact OD1-NH2 3.1Å; D962-R1049 PolarHBondContact OD1-NH2 3.47Å; D962-R1049 IonicContact OD2-CZ 3.54Å; D962-R1049 IonicContact OD2-NE 2.8Å; D962-R1049 PolarHBondContact OD2-NE 3.29Å; D962-R1049 IonicContact OD2-NH2 2.62Å; D962-R1049 PolarHBondContact OD2-NH2 3.29Å | ||
| 963 | T | 79.3 | Confident | 74.7 | Confident | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -45.2 | -32.6 | 176.3 | 60.2 | 0 | 0 | 0 | 0 | 114 | T961 K967 I1014 N1015 | T961-T963 PolarHBondContact O-N 3.3Å; T963-K967 WeakPolarHBondContact O-CG 3.34Å; T963-K967 PolarHBondContact O-N 3.16Å; T963-I1014 PolarHBondContact OG1-O 3.38Å; T963-N1015 HydrophobicContact CG2-CB 4.44Å; T963-N1015 PolarHBondContact N-ND2 3.24Å; T963-N1015 WeakPolarHBondContact OG1-CB 3.44Å; T963-N1015 PolarHBondContact OG1-ND2 2.72Å |
| 964 | T | 74.9 | Confident | 71.8 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -88.4 | -31.6 | -174.8 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | D962 L966 S968 I1013 R1049 | D962-T964 PolarHBondContact O-N 3.22Å; D962-T964 PolarHBondContact OD1-N 3.48Å; D962-T964 PolarHBondContact OD1-OG1 2.76Å; T964-L966 VanDerWaalsContact C-N 3.29Å; T964-S968 PolarHBondContact O-N 3.33Å; T964-S968 PolarHBondContact O-OG 2.88Å; T964-I1013 HydrophobicContact CG2-CG2 4.23Å; T964-R1049 PolarHBondContact OG1-NH1 3.3Å; T964-R1049 PolarHBondContact OG1-NH2 2.62Å |
| 965 | H | 69.5 | Low | 69 | Low | 93 Ų | 93 | 63.2 Ų | 63.2 | 43% | 0.431 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.6 | -32.7 | 169 | -82.6 | -51.2 | 0 | 0 | 0 | 111.7 | D962 S968 R1049 | D962-H965 HydrophobicContact CB-CB 4.08Å; D962-H965 PolarHBondContact O-N 3.26Å; D962-H965 PolarHBondContact OD1-N 3.36Å; D962-H965 IonicContact OD2-CD2 2.65Å; D962-H965 PolarHBondContact OD2-CD2 2.85Å; D962-H965 VanDerWaalsContact OD2-CD2 3.29Å; D962-H965 IonicContact OD2-NE2 3.26Å; H965-S968 PolarHBondContact O-OG 2.95Å; H965-R1049 PolarHBondContact CD2-NH2 2.82Å; H965-R1049 PolarHBondContact CE1-NH2 2.93Å; H965-R1049 PolarHBondContact NE2-NH2 3.13Å |
| 966 | L | 70.6 | Confident | 66.1 | Low | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -78.3 | -38.9 | -175.1 | -61.8 | 161.4 | 0 | 0 | 0 | 111.6 | A909 C910 Q922 L960 D962 T964 R969 | A909-L966 HydrophobicContact CB-CD1 4.37Å; A909-L966 HydrophobicContact CB-CD2 4.21Å; C910-L966 WeakPolarHBondContact SG-CD2 3.08Å; Q922-L966 VanDerWaalsContact NE2-CD1 3.29Å; L960-L966 WeakPolarHBondContact O-CD1 3.4Å; D962-L966 WeakPolarHBondContact O-CD1 3.35Å; D962-L966 VanDerWaalsContact O-CG 3.28Å; D962-L966 WeakPolarHBondContact O-CG 3.23Å; D962-L966 PolarHBondContact O-N 2.88Å; D962-L966 VanDerWaalsContact O-N 3.14Å; T964-L966 VanDerWaalsContact C-N 3.29Å; L966-R969 PolarHBondContact O-N 3.39Å |
| 967 | K | 66.1 | Low | 63.2 | Low | 137 Ų | 137 | 73.1 Ų | 73.1 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.7 | -51.2 | 174.3 | -77.7 | 179.4 | 176.8 | -174.3 | 0 | 113.8 | T963 R969 S970 E971 | T963-K967 WeakPolarHBondContact O-CG 3.34Å; T963-K967 PolarHBondContact O-N 3.16Å; K967-R969 PolarHBondContact O-N 3.13Å; K967-R969 VanDerWaalsContact O-N 3.1Å; K967-S970 PolarHBondContact O-N 3.26Å; K967-S970 PolarHBondContact O-OG 3.46Å; K967-E971 PolarHBondContact O-N 3.47Å |
| 968 | S | 57.9 | Low | 60.1 | Low | 71 Ų | 71 | 81.1 Ų | 81.1 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.9 | -27.5 | -179.4 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | T964 H965 G972 | T964-S968 PolarHBondContact O-N 3.33Å; T964-S968 PolarHBondContact O-OG 2.88Å; H965-S968 PolarHBondContact O-OG 2.95Å; S968-G972 PolarHBondContact O-N 3.01Å |
| 969 | R | 52.1 | Low | 57.1 | Low | 129 Ų | 129 | 90.4 Ų | 90.4 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.1 | -20 | 176.8 | -164.1 | 176.3 | -177.3 | -144.1 | 0.5 | 114.1 | L966 K967 | L966-R969 PolarHBondContact O-N 3.39Å; K967-R969 PolarHBondContact O-N 3.13Å; K967-R969 VanDerWaalsContact O-N 3.1Å |
| 970 | S | 50.5 | Low | 54.1 | Low | 35 Ų | 35 | 94.5 Ų | 94.5 | 25% | 0.245 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -85.7 | -45.1 | 175.7 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | K967 G972 K973 | K967-S970 PolarHBondContact O-N 3.26Å; K967-S970 PolarHBondContact O-OG 3.46Å; S970-G972 VanDerWaalsContact C-N 3.3Å; S970-G972 PolarHBondContact O-N 2.92Å; S970-K973 PolarHBondContact O-N 2.82Å |
| 971 | E | 46 | Very low | 51.3 | Low | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.5 | -40.3 | 178.2 | -66.3 | 179.1 | 175.2 | 0 | 0 | 112.1 | K967 K973 N974 | K967-E971 PolarHBondContact O-N 3.47Å; E971-K973 PolarHBondContact O-N 2.71Å; E971-N974 PolarHBondContact O-N 2.76Å |
| 972 | G | 44.5 | Very low | 48.5 | Very low | 57 Ų | 57 | 106 Ų | 106 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -14.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S968 S970 | S968-G972 PolarHBondContact O-N 3.01Å; S970-G972 VanDerWaalsContact C-N 3.3Å; S970-G972 PolarHBondContact O-N 2.92Å |
| 973 | K | 42.4 | Very low | 45.6 | Very low | 167 Ų | 167 | 113.6 Ų | 113.6 | 73% | 0.726 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -21 | 173.3 | -78 | -176.7 | 173.2 | 179.7 | 0 | 113.9 | S970 E971 | S970-K973 PolarHBondContact O-N 2.82Å; E971-K973 PolarHBondContact O-N 2.71Å |
| 974 | N | 33.9 | Very low | 43.6 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 0.7 | -171.7 | -71.2 | -10.3 | 0 | 0 | 0 | 113.9 | E971 | E971-N974 PolarHBondContact O-N 2.76Š|
| 975 | V | 36.7 | Very low | 41.3 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -5.7 | -176.3 | -177 | 0 | 0 | 0 | 0 | 112.8 | ||
| 976 | T | 31.6 | Very low | 39.5 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -111.7 | 20.4 | -172.7 | 53.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 977 | V | 31.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -141.2 | 84 | 165.6 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 978 | N | 27.2 | Very low | 35.8 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | trans | -177.4 | 66.2 | 161.8 | -99.5 | -36.5 | 0 | 0 | 0 | 110.7 | ||||
| 979 | Q | 29.5 | Very low | 34.6 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -151.3 | 51 | 174.4 | -138.2 | 167.1 | 49.1 | 0 | 0 | 114.2 | ||||
| 980 | E | 26.8 | Very low | 33.4 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | -125.3 | 149.7 | 165 | -67.6 | -169.3 | 148 | 0 | 0 | 110.4 | ||||
| 981 | G | 29.2 | Very low | 32.3 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 83.9 | 63.6 | 159 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 982 | K | 31 | Very low | 31.6 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -160.1 | 89.6 | 136.5 | -123.2 | 169.4 | -172.9 | 171.5 | 0 | 115.1 | ||||
| 983 | D | 27.1 | Very low | 30.8 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -70.2 | 122.9 | 155.2 | -63.3 | -70.5 | 0 | 0 | 0 | 109.5 | ||||
| 984 | I | 35.5 | Very low | 30.1 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | trans | -131.7 | 110.8 | 158.5 | -64.3 | -176.9 | 0 | 0 | 0 | 106.6 | ||||
| 985 | V | 27.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -65.3 | 132.5 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 986 | N | 31.7 | Very low | 29.4 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -148.9 | 147 | 146.7 | -95.1 | -42.3 | 0 | 0 | 0 | 108.3 | ||||
| 987 | D | 28.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -95.7 | -172 | -164.1 | -140.3 | -30.9 | 0 | 0 | 0 | 112.7 | ||||
| 988 | D | 30.7 | Very low | 29 | Very low | 131 Ų | 131 | 155.9 Ų | 155.9 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | 65.9 | 94.5 | 164.7 | -61.7 | -40.7 | 0 | 0 | 0 | 117 | ||||
| 989 | N | 33.1 | Very low | 28.9 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | 178.1 | 124.2 | 98.6 | -95.1 | -83.6 | 0 | 0 | 0 | 111.3 | |||||
| 990 | E | 26 | Very low | 28.7 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -84.1 | 123.8 | 161 | -68.6 | -162.2 | 125.5 | 0 | 0 | 109.8 | ||||
| 991 | D | 27.1 | Very low | 28.6 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | 179.8 | 139.3 | 117.5 | -126.3 | -32 | 0 | 0 | 0 | 112.6 | |||||
| 992 | S | 31.9 | Very low | 28.4 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 133.9 | 97.8 | 161.2 | -67 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 993 | R | 27.4 | Very low | 28.1 | Very low | 234 Ų | 234 | 149.3 Ų | 149.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -79.9 | 138.8 | 148.7 | -77.5 | 177.4 | 167.7 | 174.1 | -2.6 | 108.8 | ||||
| 994 | P | 29.4 | Very low | 27.9 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | -151.1 | 158.2 | 110.7 | 36.4 | -19.8 | 0 | 0 | 0 | 117.1 | |||||
| 995 | N | 26.8 | Very low | 27.4 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 51.1 | 93.9 | 149.2 | -66.7 | -12.5 | 0 | 0 | 0 | 120 | N997 | N995-N997 PolarHBondContact O-N 3.04Š| ||
| 996 | S | 27.6 | Very low | 27.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -67.8 | 73.4 | 152.7 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 997 | N | 26.2 | Very low | 27.1 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -162.6 | 76.7 | 164.8 | -107.5 | -18.2 | 0 | 0 | 0 | 111 | N995 | N995-N997 PolarHBondContact O-N 3.04Š| ||
| 998 | K | 29.6 | Very low | 27.3 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -132.6 | 119.1 | 160.8 | -80.9 | -170.2 | 177 | 177.7 | 0 | 110.2 | K1000 | K998-K1000 PolarHBondContact O-N 3.08Š| ||
| 999 | S | 25.1 | Very low | 27.6 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -48.5 | 121.8 | 166.8 | -43.7 | 0 | 0 | 0 | 0 | 109.8 | T1001 | S999-T1001 PolarHBondContact O-N 3.17Š| ||
| 1000 | K | 25.2 | Very low | 28.1 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -69.6 | 91.4 | 157.6 | -96.5 | -170.6 | 173.5 | -176.8 | 0 | 106.9 | K998 I1002 | K998-K1000 PolarHBondContact O-N 3.08Å; K1000-I1002 VanDerWaalsContact C-N 3.3Å; K1000-I1002 PolarHBondContact O-N 3.34Å | ||
| 1001 | T | 23.4 | Very low | 29.5 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -59.9 | 99.5 | 161.9 | -55.7 | 0 | 0 | 0 | 0 | 106.7 | S999 S1003 | S999-T1001 PolarHBondContact O-N 3.17Å; T1001-S1003 PolarHBondContact O-N 3.48Å | ||
| 1002 | I | 25.3 | Very low | 31.5 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 93.6 | 166.7 | -62 | 175.5 | 0 | 0 | 0 | 105.1 | K1000 S1004 | K1000-I1002 VanDerWaalsContact C-N 3.3Å; K1000-I1002 PolarHBondContact O-N 3.34Å; I1002-S1004 PolarHBondContact O-N 2.92Å; I1002-S1004 VanDerWaalsContact O-N 3.08Å | ||
| 1003 | S | 25 | Very low | 33.6 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -59.3 | 110.3 | 168.1 | 48.6 | 0 | 0 | 0 | 0 | 107.5 | T1001 S1005 | T1001-S1003 PolarHBondContact O-N 3.48Å; S1003-S1005 PolarHBondContact O-N 3.03Å | ||
| 1004 | S | 24 | Very low | 36.1 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | trans | -54.1 | 122.3 | 176.6 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | I1002 T1006 | I1002-S1004 PolarHBondContact O-N 2.92Å; I1002-S1004 VanDerWaalsContact O-N 3.08Å; S1004-T1006 PolarHBondContact O-N 3.11Å; S1004-T1006 PolarHBondContact O-OG1 3.07Å | ||
| 1005 | S | 24.3 | Very low | 38.8 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -75.1 | 51.9 | 178.2 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | S1003 G1007 | S1003-S1005 PolarHBondContact O-N 3.03Å; S1005-G1007 PolarHBondContact O-N 3.23Å | ||
| 1006 | T | 25.9 | Very low | 41.6 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 81% | 0.81 | 67% | 0.67 | S | S | * | * | trans | -71.2 | 73.3 | 161.8 | 45.6 | 0 | 0 | 0 | 0 | 108.6 | S1004 | S1004-T1006 PolarHBondContact O-N 3.11Å; S1004-T1006 PolarHBondContact O-OG1 3.07Å | ||
| 1007 | G | 25.9 | Very low | 44.5 | Very low | 63 Ų | 63 | 114.8 Ų | 114.8 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | trans | 173.7 | 38.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1005 I1009 | S1005-G1007 PolarHBondContact O-N 3.23Å; G1007-I1009 PolarHBondContact O-N 3.3Å | ||
| 1008 | Q | 33.7 | Very low | 47.6 | Very low | 178 Ų | 178 | 107.3 Ų | 107.3 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | trans | -62.9 | 123.1 | 159 | -79.1 | -176.9 | -64.4 | 0 | 0 | 107.4 | D1010 | Q1008-D1010 PolarHBondContact O-N 3.21Š| ||
| 1009 | I | 36.1 | Very low | 50.5 | Low | 158 Ų | 158 | 98.5 Ų | 98.5 | 81% | 0.81 | 55% | 0.553 | S | S | * | * | trans | -66 | 119 | 161.6 | -62 | 168.6 | 0 | 0 | 0 | 104.6 | G1007 E1011 | G1007-I1009 PolarHBondContact O-N 3.3Å; I1009-E1011 PolarHBondContact O-N 2.84Å | ||
| 1010 | D | 44.1 | Very low | 53.6 | Low | 124 Ų | 124 | 99.9 Ų | 99.9 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | trans | -63.3 | 96.3 | -178.7 | -86.1 | -45.1 | 0 | 0 | 0 | 109.2 | Q1008 R1093 | Q1008-D1010 PolarHBondContact O-N 3.21Å; D1010-R1093 IonicContact OD2-NH1 3.96Å | ||
| 1011 | E | 55.8 | Low | 56.8 | Low | 171 Ų | 171 | 90.5 Ų | 90.5 | 80% | 0.799 | 50% | 0.501 | S | S | * | . | trans | -60.4 | 142.6 | 171.6 | -67.5 | -172.7 | 130.6 | 0 | 0 | 109.9 | I1009 I1013 | I1009-E1011 PolarHBondContact O-N 2.84Å; E1011-I1013 PolarHBondContact O-N 3.3Å | ||
| 1012 | K | 68.9 | Low | 60.1 | Low | 146 Ų | 146 | 84.6 Ų | 84.6 | 64% | 0.635 | 47% | 0.465 | S | S | * | . | trans | -64.6 | 99.7 | 176.2 | -72.8 | -172.7 | 170.9 | -162.2 | 0 | 109.9 | I1014 E1053 | K1012-I1014 PolarHBondContact O-N 3.39Å; K1012-E1053 WeakPolarHBondContact CD-OE1 3.5Å; K1012-E1053 WeakPolarHBondContact CE-OE1 3.37Å; K1012-E1053 IonicContact NZ-OE1 3.22Å; K1012-E1053 PolarHBondContact NZ-OE1 2.94Å | ||
| 1013 | I | 74.7 | Confident | 63.2 | Low | 37 Ų | 37 | 78.9 Ų | 78.9 | 19% | 0.19 | 44% | 0.438 | C | S | . | . | trans | -68.9 | 117.3 | 174.9 | -64.1 | 172.9 | 0 | 0 | 0 | 107.9 | T964 E1011 S1051 T1052 | T964-I1013 HydrophobicContact CG2-CG2 4.23Å; E1011-I1013 PolarHBondContact O-N 3.3Å; I1013-S1051 CarbonylContact O-C 3.54Å; I1013-S1051 WeakPolarHBondContact O-CA 3.47Å; I1013-T1052 HydrophobicContact CB-CG2 4.17Å; I1013-T1052 PolarHBondContact N-OG1 2.99Å; I1013-T1052 PolarHBondContact O-N 3.46Å; I1013-T1052 PolarHBondContact O-OG1 3.01Å | ||
| 1014 | I | 80.7 | Confident | 66.4 | Low | 100 Ų | 100 | 75.8 Ų | 75.8 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | trans | -118.2 | 105.7 | 173.5 | -62.1 | 172.3 | 0 | 0 | 0 | 107.1 | T963 K1012 | T963-I1014 PolarHBondContact OG1-O 3.38Å; K1012-I1014 PolarHBondContact O-N 3.39Å | ||
| 1015 | N | 86.6 | Confident | 69.6 | Low | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -140.9 | 79.8 | 178.6 | -168.6 | -27.9 | 0 | 0 | 0 | 110.6 | D962 T963 H1017 H1018 D1019 R1049 S1051 | D962-N1015 WeakPolarHBondContact CA-ND2 3.1Å; D962-N1015 PolarHBondContact OD1-ND2 3.03Å; T963-N1015 HydrophobicContact CG2-CB 4.44Å; T963-N1015 PolarHBondContact N-ND2 3.24Å; T963-N1015 WeakPolarHBondContact OG1-CB 3.44Å; T963-N1015 PolarHBondContact OG1-ND2 2.72Å; N1015-H1017 PolarHBondContact O-N 2.99Å; N1015-H1017 PolarHBondContact OD1-N 3.49Å; N1015-H1018 HydrophobicContact CB-CB 4.19Å; N1015-H1018 VanDerWaalsContact CG-CG 3.43Å; N1015-H1018 PolarHBondContact ND2-CE1 3.02Å; N1015-H1018 PolarHBondContact ND2-ND1 3.04Å; N1015-H1018 PolarHBondContact O-N 2.87Å; N1015-H1018 WeakPolarHBondContact OD1-CB 3.2Å; N1015-H1018 PolarHBondContact OD1-N 3.3Å; N1015-D1019 PolarHBondContact O-N 3.21Å; N1015-D1019 VanDerWaalsContact O-N 3.11Å; N1015-R1049 WeakPolarHBondContact CB-O 3.21Å; N1015-S1051 VanDerWaalsContact C-OG 3.23Å; N1015-S1051 PolarHBondContact N-OG 3.02Å; N1015-S1051 PolarHBondContact O-OG 3.34Å | ||
| 1016 | P | 85.3 | Confident | 72.7 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66 | -21.9 | 179.8 | 27.1 | -36.1 | 0 | 0 | 0 | 113.4 | F919 R1020 | F919-P1016 HydrophobicContact CD2-CG 4.2Å; F919-P1016 HydrophobicContact CE2-CB 4.11Å; F919-P1016 HydrophobicContact CE2-CG 3.67Å; P1016-R1020 WeakPolarHBondContact O-CB 3.06Å; P1016-R1020 PolarHBondContact O-N 3.49Å |
| 1017 | H | 88 | Confident | 75.8 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.032 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71 | -42 | 176 | -61 | -57.8 | 0 | 0 | 0 | 111 | F919 Q922 S923 T926 N1015 R1020 L1021 | F919-H1017 AromaticContact CD2-CE1 3.36Å; F919-H1017 WeakPolarHBondContact CD2-CE1 3.15Å; F919-H1017 AromaticContact CD2-NE2 3.32Å; F919-H1017 VanDerWaalsContact CD2-NE2 3.32Å; F919-H1017 WeakPolarHBondContact CD2-NE2 3.31Å; F919-H1017 AromaticContact CE2-CE1 3.5Å; F919-H1017 VanDerWaalsContact CE2-CE1 3.5Å; F919-H1017 WeakPolarHBondContact CE2-CE1 3.29Å; F919-H1017 AromaticContact CE2-NE2 3.77Å; F919-H1017 AromaticContact CG-CE1 3.87Å; F919-H1017 AromaticContact CG-NE2 3.99Å; F919-H1017 PolarHBondContact O-CE1 3.26Å; Q922-H1017 PolarHBondContact OE1-CD2 2.82Å; S923-H1017 PolarHBondContact N-CE1 3.24Å; T926-H1017 WeakPolarHBondContact OG1-CB 3.36Å; N1015-H1017 PolarHBondContact O-N 2.99Å; N1015-H1017 PolarHBondContact OD1-N 3.49Å; H1017-R1020 PolarHBondContact O-N 3.18Å; H1017-L1021 WeakPolarHBondContact O-CG 3.23Å; H1017-L1021 PolarHBondContact O-N 3.49Å |
| 1018 | H | 91.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 171.3 | -74 | -175.5 | 0 | 0 | 0 | 112.7 | A958 T961 D962 N1015 R1020 L1021 V1022 L1048 R1049 | A958-H1018 PolarHBondContact O-NE2 2.96Å; T961-H1018 PolarHBondContact O-CD2 2.95Å; T961-H1018 PolarHBondContact O-NE2 2.77Å; T961-H1018 PolarHBondContact OG1-CD2 3.21Å; T961-H1018 PolarHBondContact OG1-NE2 3.23Å; T961-H1018 VanDerWaalsContact OG1-NE2 3.07Å; D962-H1018 VanDerWaalsContact CB-CE1 3.46Å; D962-H1018 WeakPolarHBondContact CB-CE1 2.97Å; D962-H1018 VanDerWaalsContact CG-CE1 3.48Å; D962-H1018 IonicContact OD2-CE1 2.78Å; D962-H1018 PolarHBondContact OD2-CE1 3.41Å; N1015-H1018 HydrophobicContact CB-CB 4.19Å; N1015-H1018 VanDerWaalsContact CG-CG 3.43Å; N1015-H1018 PolarHBondContact ND2-CE1 3.02Å; N1015-H1018 PolarHBondContact ND2-ND1 3.04Å; N1015-H1018 PolarHBondContact O-N 2.87Å; N1015-H1018 WeakPolarHBondContact OD1-CB 3.2Å; N1015-H1018 PolarHBondContact OD1-N 3.3Å; H1018-R1020 VanDerWaalsContact C-N 3.29Å; H1018-R1020 PolarHBondContact O-N 3.19Å; H1018-L1021 PolarHBondContact O-N 3.08Å; H1018-V1022 WeakPolarHBondContact O-CB 3.47Å; H1018-V1022 VanDerWaalsContact O-CG2 3.32Å; H1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; H1018-V1022 PolarHBondContact O-N 2.85Å; H1018-L1048 HydrophobicContact CB-CB 4.4Å; H1018-R1049 PolarHBondContact ND1-N 3.41Å; H1018-R1049 PolarHBondContact ND1-O 3.26Å; H1018-R1049 VanDerWaalsContact ND1-O 3.13Å |
| 1019 | D | 90.6 | Very high | 81.5 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -44.1 | 171.9 | -69 | -11.8 | 0 | 0 | 0 | 111.3 | N1015 V1022 S1023 P1050 S1051 N1054 V1057 | N1015-D1019 PolarHBondContact O-N 3.21Å; N1015-D1019 VanDerWaalsContact O-N 3.11Å; D1019-V1022 PolarHBondContact O-N 2.87Å; D1019-S1023 PolarHBondContact O-N 2.64Å; D1019-P1050 VanDerWaalsContact OD1-CA 3.3Å; D1019-P1050 WeakPolarHBondContact OD1-CA 3.46Å; D1019-P1050 WeakPolarHBondContact OD1-CB 3.47Å; D1019-S1051 VanDerWaalsContact CG-OG 3.32Å; D1019-S1051 PolarHBondContact OD1-N 2.89Å; D1019-S1051 PolarHBondContact OD1-OG 2.97Å; D1019-S1051 WeakPolarHBondContact OD2-CB 3.45Å; D1019-S1051 PolarHBondContact OD2-OG 3.36Å; D1019-N1054 VanDerWaalsContact CG-ND2 3.29Å; D1019-N1054 PolarHBondContact OD2-ND2 2.95Å; D1019-V1057 HydrophobicContact CB-CG2 3.92Å |
| 1020 | R | 91.2 | Very high | 84 | Confident | 142 Ų | 142 | 51.2 Ų | 51.2 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 177.5 | -176 | 56.9 | 174 | 169 | 2.9 | 112.5 | T926 P1016 H1017 H1018 S1023 I1024 | T926-R1020 HydrophobicContact CG2-CB 4.27Å; T926-R1020 HydrophobicContact CG2-CG 4.06Å; P1016-R1020 WeakPolarHBondContact O-CB 3.06Å; P1016-R1020 PolarHBondContact O-N 3.49Å; H1017-R1020 PolarHBondContact O-N 3.18Å; H1018-R1020 VanDerWaalsContact C-N 3.29Å; H1018-R1020 PolarHBondContact O-N 3.19Å; R1020-S1023 PolarHBondContact O-N 2.97Å; R1020-I1024 HydrophobicContact CG-CD1 3.95Å; R1020-I1024 WeakPolarHBondContact O-CG1 3.46Å; R1020-I1024 PolarHBondContact O-N 2.69Å |
| 1021 | L | 92.1 | Very high | 86.1 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175 | -76.8 | 179.4 | 0 | 0 | 0 | 112 | T926 V929 T961 H1017 H1018 S1023 I1024 L1025 M1044 L1048 | T926-L1021 HydrophobicContact CG2-CD2 3.88Å; T926-L1021 HydrophobicContact CG2-CG 3.9Å; V929-L1021 HydrophobicContact CB-CD2 3.85Å; V929-L1021 HydrophobicContact CG1-CD2 4.03Å; V929-L1021 HydrophobicContact CG2-CD2 3.89Å; T961-L1021 HydrophobicContact CG2-CD1 4.1Å; T961-L1021 WeakPolarHBondContact OG1-CD1 3.31Å; H1017-L1021 WeakPolarHBondContact O-CG 3.23Å; H1017-L1021 PolarHBondContact O-N 3.49Å; H1018-L1021 PolarHBondContact O-N 3.08Å; L1021-S1023 PolarHBondContact O-N 2.78Å; L1021-I1024 PolarHBondContact O-N 3.22Å; L1021-L1025 HydrophobicContact CB-CD1 4.39Å; L1021-L1025 VanDerWaalsContact O-CB 3.26Å; L1021-L1025 WeakPolarHBondContact O-CB 3.39Å; L1021-L1025 VanDerWaalsContact O-CG 3.23Å; L1021-L1025 WeakPolarHBondContact O-CG 3.49Å; L1021-L1025 PolarHBondContact O-N 3.01Å; L1021-M1044 HydrophobicContact CD1-CE 4.16Å; L1021-L1048 HydrophobicContact CB-CD1 3.63Å; L1021-L1048 HydrophobicContact CD1-CD1 4.41Å; L1021-L1048 HydrophobicContact CD1-CD2 3.84Å |
| 1022 | V | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.1 | -50.9 | 176.4 | 164.8 | 0 | 0 | 0 | 0 | 110.6 | H1018 D1019 I1024 L1025 A1026 L1048 V1057 L1061 | H1018-V1022 WeakPolarHBondContact O-CB 3.47Å; H1018-V1022 VanDerWaalsContact O-CG2 3.32Å; H1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; H1018-V1022 PolarHBondContact O-N 2.85Å; D1019-V1022 PolarHBondContact O-N 2.87Å; V1022-I1024 PolarHBondContact O-N 2.87Å; V1022-L1025 PolarHBondContact O-N 2.98Å; V1022-A1026 WeakPolarHBondContact O-CB 3.05Å; V1022-A1026 PolarHBondContact O-N 3.22Å; V1022-L1048 HydrophobicContact CG2-CB 4.26Å; V1022-L1048 HydrophobicContact CG2-CD1 3.7Å; V1022-V1057 HydrophobicContact CB-CG1 4.12Å; V1022-V1057 HydrophobicContact CG1-CG1 3.8Å; V1022-V1057 HydrophobicContact CG2-CG1 4.47Å; V1022-L1061 HydrophobicContact CG1-CD1 4.11Å; V1022-L1061 HydrophobicContact CG1-CD2 3.49Å; V1022-L1061 VanDerWaalsContact CG1-CD2 3.49Å; V1022-L1061 HydrophobicContact CG1-CG 3.62Å; V1022-L1061 HydrophobicContact CG2-CD1 4.46Å; V1022-L1061 HydrophobicContact CG2-CD2 4.23Å |
| 1023 | S | 90.7 | Very high | 88.2 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | -177.1 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | D1019 R1020 L1021 T1027 E1060 | D1019-S1023 PolarHBondContact O-N 2.64Å; R1020-S1023 PolarHBondContact O-N 2.97Å; L1021-S1023 PolarHBondContact O-N 2.78Å; S1023-T1027 WeakPolarHBondContact O-CB 3.48Å; S1023-T1027 PolarHBondContact O-N 3Å; S1023-T1027 PolarHBondContact O-OG1 2.87Å; S1023-E1060 PolarHBondContact OG-OE2 3.41Å; S1023-E1060 VanDerWaalsContact OG-OE2 3.12Å |
| 1024 | I | 91.5 | Very high | 88.5 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -55.5 | 174.8 | -68.1 | 170 | 0 | 0 | 0 | 111.1 | L930 R1020 L1021 V1022 A1026 T1027 E1028 | L930-I1024 HydrophobicContact CB-CG2 4.31Å; L930-I1024 HydrophobicContact CD2-CG2 3.67Å; R1020-I1024 HydrophobicContact CG-CD1 3.95Å; R1020-I1024 WeakPolarHBondContact O-CG1 3.46Å; R1020-I1024 PolarHBondContact O-N 2.69Å; L1021-I1024 PolarHBondContact O-N 3.22Å; V1022-I1024 PolarHBondContact O-N 2.87Å; I1024-A1026 PolarHBondContact O-N 2.97Å; I1024-T1027 WeakPolarHBondContact O-CB 3.04Å; I1024-T1027 PolarHBondContact O-N 3.22Å; I1024-T1027 VanDerWaalsContact O-N 3.16Å; I1024-E1028 PolarHBondContact O-N 3.17Å; I1024-E1028 VanDerWaalsContact O-N 3.15Å |
| 1025 | L | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.7 | -37.2 | -174.1 | -65.8 | 171.8 | 0 | 0 | 0 | 111.7 | L930 L1021 V1022 T1027 E1028 V1029 Y1041 M1044 I1045 L1048 | L930-L1025 HydrophobicContact CD1-CD2 4.39Å; L1021-L1025 HydrophobicContact CB-CD1 4.39Å; L1021-L1025 VanDerWaalsContact O-CB 3.26Å; L1021-L1025 WeakPolarHBondContact O-CB 3.39Å; L1021-L1025 VanDerWaalsContact O-CG 3.23Å; L1021-L1025 WeakPolarHBondContact O-CG 3.49Å; L1021-L1025 PolarHBondContact O-N 3.01Å; V1022-L1025 PolarHBondContact O-N 2.98Å; L1025-T1027 VanDerWaalsContact C-N 3.29Å; L1025-T1027 PolarHBondContact O-N 2.86Å; L1025-E1028 PolarHBondContact O-N 3.34Å; L1025-V1029 WeakPolarHBondContact O-CB 3.38Å; L1025-V1029 WeakPolarHBondContact O-CG2 3.42Å; L1025-V1029 PolarHBondContact O-N 3.19Å; L1025-Y1041 HydrophobicContact CD2-CD1 3.82Å; L1025-Y1041 HydrophobicContact CD2-CE1 4.41Å; L1025-Y1041 HydrophobicContact CD2-CG 3.92Å; L1025-M1044 HydrophobicContact CD1-CB 4.33Å; L1025-M1044 HydrophobicContact CD1-CG 4.26Å; L1025-M1044 HydrophobicContact CD1-SD 3.75Å; L1025-I1045 HydrophobicContact CB-CD1 3.73Å; L1025-I1045 HydrophobicContact CB-CG1 3.86Å; L1025-I1045 HydrophobicContact CD1-CG1 4.2Å; L1025-L1048 HydrophobicContact CD1-CD1 4.32Å |
| 1026 | A | 90.4 | Very high | 88.6 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1022 I1024 V1029 L1030 L1064 | V1022-A1026 WeakPolarHBondContact O-CB 3.05Å; V1022-A1026 PolarHBondContact O-N 3.22Å; I1024-A1026 PolarHBondContact O-N 2.97Å; A1026-V1029 PolarHBondContact O-N 2.79Å; A1026-L1030 WeakPolarHBondContact O-CB 3.34Å; A1026-L1030 VanDerWaalsContact O-CG 3.27Å; A1026-L1030 WeakPolarHBondContact O-CG 3.4Å; A1026-L1030 PolarHBondContact O-N 3.44Å; A1026-L1064 HydrophobicContact CB-CD1 4.12Å; A1026-L1064 HydrophobicContact CB-CD2 3.84Å; A1026-L1064 HydrophobicContact CB-CG 4.41Å |
| 1027 | T | 90.9 | Very high | 88.7 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -45.2 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | S1023 I1024 L1025 L1030 K1031 | S1023-T1027 WeakPolarHBondContact O-CB 3.48Å; S1023-T1027 PolarHBondContact O-N 3Å; S1023-T1027 PolarHBondContact O-OG1 2.87Å; I1024-T1027 WeakPolarHBondContact O-CB 3.04Å; I1024-T1027 PolarHBondContact O-N 3.22Å; I1024-T1027 VanDerWaalsContact O-N 3.16Å; L1025-T1027 VanDerWaalsContact C-N 3.29Å; L1025-T1027 PolarHBondContact O-N 2.86Å; T1027-L1030 PolarHBondContact O-N 3.02Å; T1027-K1031 WeakPolarHBondContact O-CG 3.47Å; T1027-K1031 PolarHBondContact O-N 2.87Å |
| 1028 | E | 89.8 | Confident | 88.7 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.9 | -59.9 | -50.7 | 134.8 | 0 | 0 | 112.8 | L930 I1024 L1025 L1030 K1031 Y1041 | L930-E1028 HydrophobicContact CD1-CG 4.05Å; L930-E1028 HydrophobicContact CD2-CG 3.78Å; I1024-E1028 PolarHBondContact O-N 3.17Å; I1024-E1028 VanDerWaalsContact O-N 3.15Å; L1025-E1028 PolarHBondContact O-N 3.34Å; E1028-L1030 VanDerWaalsContact C-N 3.28Å; E1028-L1030 PolarHBondContact O-N 3.12Å; E1028-K1031 PolarHBondContact O-N 2.67Å; E1028-K1031 WeakPolarHBondContact OE1-CE 3.19Å; E1028-K1031 IonicContact OE1-NZ 2.68Å; E1028-K1031 PolarHBondContact OE1-NZ 3.15Å; E1028-K1031 WeakPolarHBondContact OE2-CD 3.34Å; E1028-K1031 WeakPolarHBondContact OE2-CE 3.28Å; E1028-K1031 IonicContact OE2-NZ 2.7Å; E1028-K1031 PolarHBondContact OE2-NZ 3.21Å; E1028-Y1041 HydrophobicContact CB-CD2 3.99Å; E1028-Y1041 HydrophobicContact CB-CE2 3.98Å |
| 1029 | V | 89.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 175 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | L1025 A1026 A1032 P1033 A1038 Y1041 L1064 M1068 | L1025-V1029 WeakPolarHBondContact O-CB 3.38Å; L1025-V1029 WeakPolarHBondContact O-CG2 3.42Å; L1025-V1029 PolarHBondContact O-N 3.19Å; A1026-V1029 PolarHBondContact O-N 2.79Å; V1029-A1032 CarbonylContact O-C 3.52Å; V1029-P1033 WeakPolarHBondContact O-CA 3.48Å; V1029-A1038 HydrophobicContact CB-CB 4.48Å; V1029-A1038 HydrophobicContact CG1-CB 4.33Å; V1029-A1038 HydrophobicContact CG2-CB 4.37Å; V1029-Y1041 HydrophobicContact CG2-CD2 4.41Å; V1029-L1064 HydrophobicContact CB-CD1 4.1Å; V1029-L1064 HydrophobicContact CG1-CD1 3.74Å; V1029-M1068 HydrophobicContact CG1-CE 3.82Å; V1029-M1068 HydrophobicContact CG1-CG 4.1Å; V1029-M1068 HydrophobicContact CG1-SD 3.34Å; V1029-M1068 WeakPolarHBondContact CG1-SD 3.39Å |
| 1030 | L | 87.3 | Confident | 88.4 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.6 | -23.3 | 179.8 | -71.1 | 170.5 | 0 | 0 | 0 | 113.6 | A1026 T1027 E1028 L1064 | A1026-L1030 WeakPolarHBondContact O-CB 3.34Å; A1026-L1030 VanDerWaalsContact O-CG 3.27Å; A1026-L1030 WeakPolarHBondContact O-CG 3.4Å; A1026-L1030 PolarHBondContact O-N 3.44Å; T1027-L1030 PolarHBondContact O-N 3.02Å; E1028-L1030 VanDerWaalsContact C-N 3.28Å; E1028-L1030 PolarHBondContact O-N 3.12Å; L1030-L1064 HydrophobicContact CD1-CD1 4.3Å; L1030-L1064 HydrophobicContact CD2-CD1 4.02Å; L1030-L1064 HydrophobicContact CG-CD1 3.82Å |
| 1031 | K | 88.7 | Confident | 88.5 | Confident | 136 Ų | 136 | 42.2 Ų | 42.2 | 59% | 0.591 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.3 | -39.2 | 174.2 | -69.4 | 177.3 | -162.4 | 167.5 | 0 | 112.8 | T1027 E1028 | T1027-K1031 WeakPolarHBondContact O-CG 3.47Å; T1027-K1031 PolarHBondContact O-N 2.87Å; E1028-K1031 PolarHBondContact O-N 2.67Å; E1028-K1031 WeakPolarHBondContact OE1-CE 3.19Å; E1028-K1031 IonicContact OE1-NZ 2.68Å; E1028-K1031 PolarHBondContact OE1-NZ 3.15Å; E1028-K1031 WeakPolarHBondContact OE2-CD 3.34Å; E1028-K1031 WeakPolarHBondContact OE2-CE 3.28Å; E1028-K1031 IonicContact OE2-NZ 2.7Å; E1028-K1031 PolarHBondContact OE2-NZ 3.21Å |
| 1032 | A | 85.9 | Confident | 88.4 | Confident | 39 Ų | 39 | 42.1 Ų | 42.1 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -135.6 | 67.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1029 Q1034 S1035 A1038 | V1029-A1032 CarbonylContact O-C 3.52Å; A1032-Q1034 PolarHBondContact O-N 2.91Å; A1032-S1035 PolarHBondContact O-N 3.26Å; A1032-A1038 VanDerWaalsContact O-CB 3.25Å; A1032-A1038 WeakPolarHBondContact O-CB 3.27Å |
| 1033 | P | 83 | Confident | 88.2 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.9 | -168.3 | -29.9 | 37.7 | 0 | 0 | 0 | 117.4 | V1029 M1068 F1071 | V1029-P1033 WeakPolarHBondContact O-CA 3.48Å; P1033-M1068 HydrophobicContact CB-CE 3.62Å; P1033-M1068 WeakPolarHBondContact O-CE 3.48Å; P1033-F1071 HydrophobicContact CB-CB 4.29Å; P1033-F1071 HydrophobicContact CB-CD2 3.55Å; P1033-F1071 HydrophobicContact CB-CE2 3.96Å; P1033-F1071 HydrophobicContact CB-CG 3.89Å; P1033-F1071 HydrophobicContact CG-CD2 4.2Å; P1033-F1071 HydrophobicContact CG-CE2 4.12Å |
| 1034 | Q | 81.1 | Confident | 88.2 | Confident | 147 Ų | 147 | 46.7 Ų | 46.7 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -3.6 | -178.1 | -58.6 | -174.9 | 21 | 0 | 0 | 113.7 | A1032 F1071 | A1032-Q1034 PolarHBondContact O-N 2.91Å; Q1034-F1071 HydrophobicContact CG-CB 4.42Å; Q1034-F1071 HydrophobicContact CG-CD1 4.33Å |
| 1035 | S | 87.1 | Confident | 88.2 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -72.1 | 158.2 | -177.3 | 94.7 | 0 | 0 | 0 | 0 | 112.5 | A1032 E1037 A1038 K1039 | A1032-S1035 PolarHBondContact O-N 3.26Å; S1035-E1037 WeakPolarHBondContact CB-OE2 3.06Å; S1035-E1037 PolarHBondContact O-N 2.7Å; S1035-E1037 WeakPolarHBondContact OG-CB 3.32Å; S1035-E1037 PolarHBondContact OG-N 2.94Å; S1035-E1037 PolarHBondContact OG-OE2 2.97Å; S1035-A1038 PolarHBondContact O-N 3.28Å; S1035-A1038 PolarHBondContact OG-N 3.32Å; S1035-A1038 VanDerWaalsContact OG-N 3.16Å; S1035-K1039 PolarHBondContact O-N 2.94Å |
| 1036 | A | 81.8 | Confident | 88 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.4 | -35.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1039 L1040 | A1036-K1039 PolarHBondContact O-N 3.23Å; A1036-L1040 PolarHBondContact O-N 2.78Å; A1036-L1040 VanDerWaalsContact O-N 3.09Å |
| 1037 | E | 88.8 | Confident | 88 | Confident | 36 Ų | 36 | 51 Ų | 51 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.4 | -47.3 | 145 | 122.7 | 0 | 0 | 110.3 | I937 R938 S1035 K1039 L1040 Y1041 | I937-E1037 HydrophobicContact CB-CG 4.3Å; I937-E1037 HydrophobicContact CD1-CB 4.09Å; I937-E1037 HydrophobicContact CD1-CG 4.11Å; I937-E1037 HydrophobicContact CG2-CB 4.44Å; I937-E1037 HydrophobicContact CG2-CG 3.55Å; R938-E1037 IonicContact CZ-OE1 2.64Å; R938-E1037 VanDerWaalsContact CZ-OE1 3.29Å; R938-E1037 IonicContact NE-OE1 2.93Å; R938-E1037 PolarHBondContact NE-OE1 3.15Å; R938-E1037 IonicContact NH2-OE1 2.69Å; R938-E1037 PolarHBondContact NH2-OE1 3.5Å; S1035-E1037 WeakPolarHBondContact CB-OE2 3.06Å; S1035-E1037 PolarHBondContact O-N 2.7Å; S1035-E1037 WeakPolarHBondContact OG-CB 3.32Å; S1035-E1037 PolarHBondContact OG-N 2.94Å; S1035-E1037 PolarHBondContact OG-OE2 2.97Å; E1037-K1039 VanDerWaalsContact C-N 3.3Å; E1037-K1039 PolarHBondContact O-N 2.68Å; E1037-L1040 WeakPolarHBondContact O-CB 3.46Å; E1037-L1040 PolarHBondContact O-N 3.01Å; E1037-Y1041 HydrophobicContact CB-CD2 4.35Å; E1037-Y1041 HydrophobicContact CB-CE2 3.78Å; E1037-Y1041 WeakPolarHBondContact O-CD2 3.33Å; E1037-Y1041 VanDerWaalsContact O-CG 3.23Å; E1037-Y1041 PolarHBondContact O-N 3Å |
| 1038 | A | 87.8 | Confident | 87.9 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1029 A1032 S1035 L1042 | V1029-A1038 HydrophobicContact CB-CB 4.48Å; V1029-A1038 HydrophobicContact CG1-CB 4.33Å; V1029-A1038 HydrophobicContact CG2-CB 4.37Å; A1032-A1038 VanDerWaalsContact O-CB 3.25Å; A1032-A1038 WeakPolarHBondContact O-CB 3.27Å; S1035-A1038 PolarHBondContact O-N 3.28Å; S1035-A1038 PolarHBondContact OG-N 3.32Å; S1035-A1038 VanDerWaalsContact OG-N 3.16Å; A1038-L1042 VanDerWaalsContact O-CB 3.24Å; A1038-L1042 WeakPolarHBondContact O-CB 3.17Å; A1038-L1042 PolarHBondContact O-N 3.4Å |
| 1039 | K | 86.3 | Confident | 87.8 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -35.7 | 174.5 | -64.8 | -169.3 | -174.6 | -167.1 | 0 | 112.5 | S1035 A1036 E1037 R1043 D1073 | S1035-K1039 PolarHBondContact O-N 2.94Å; A1036-K1039 PolarHBondContact O-N 3.23Å; E1037-K1039 VanDerWaalsContact C-N 3.3Å; E1037-K1039 PolarHBondContact O-N 2.68Å; K1039-R1043 WeakPolarHBondContact O-CG 3.45Å; K1039-R1043 PolarHBondContact O-N 3.49Å; K1039-D1073 IonicContact NZ-OD2 3.89Å; K1039-D1073 PolarHBondContact NZ-OD2 3.07Å |
| 1040 | L | 89 | Confident | 87.6 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 9% | 0.089 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.9 | -50.7 | 174.9 | -170.4 | 80.6 | 0 | 0 | 0 | 111.5 | L933 I937 P950 N951 A1036 E1037 L1042 R1043 M1044 | L933-L1040 HydrophobicContact CD2-CD2 4.46Å; I937-L1040 HydrophobicContact CD1-CD2 3.63Å; I937-L1040 HydrophobicContact CG1-CD2 3.94Å; P950-L1040 HydrophobicContact CB-CD1 4.13Å; P950-L1040 HydrophobicContact CB-CD2 3.64Å; N951-L1040 HydrophobicContact CB-CD1 3.97Å; A1036-L1040 PolarHBondContact O-N 2.78Å; A1036-L1040 VanDerWaalsContact O-N 3.09Å; E1037-L1040 WeakPolarHBondContact O-CB 3.46Å; E1037-L1040 PolarHBondContact O-N 3.01Å; L1040-L1042 VanDerWaalsContact C-N 3.27Å; L1040-L1042 PolarHBondContact O-N 3.26Å; L1040-R1043 WeakPolarHBondContact O-CA 3.11Å; L1040-R1043 WeakPolarHBondContact O-CB 3.3Å; L1040-R1043 PolarHBondContact O-N 3.18Å; L1040-M1044 PolarHBondContact O-N 2.76Å |
| 1041 | Y | 93 | Very high | 87.6 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | 179.6 | -61 | -24.6 | 0 | 0 | 0 | 111.4 | L930 L933 T934 I937 L1025 E1028 V1029 E1037 M1044 I1045 | L930-Y1041 HydrophobicContact CD1-CE1 4.18Å; L930-Y1041 HydrophobicContact CD1-CE2 4.14Å; L933-Y1041 HydrophobicContact CB-CE1 3.98Å; L933-Y1041 HydrophobicContact CD1-CD1 4.38Å; L933-Y1041 HydrophobicContact CD1-CE1 4.27Å; T934-Y1041 PolarHBondContact OG1-OH 3.23Å; I937-Y1041 HydrophobicContact CD1-CE1 3.84Å; L1025-Y1041 HydrophobicContact CD2-CD1 3.82Å; L1025-Y1041 HydrophobicContact CD2-CE1 4.41Å; L1025-Y1041 HydrophobicContact CD2-CG 3.92Å; E1028-Y1041 HydrophobicContact CB-CD2 3.99Å; E1028-Y1041 HydrophobicContact CB-CE2 3.98Å; V1029-Y1041 HydrophobicContact CG2-CD2 4.41Å; E1037-Y1041 HydrophobicContact CB-CD2 4.35Å; E1037-Y1041 HydrophobicContact CB-CE2 3.78Å; E1037-Y1041 WeakPolarHBondContact O-CD2 3.33Å; E1037-Y1041 VanDerWaalsContact O-CG 3.23Å; E1037-Y1041 PolarHBondContact O-N 3Å; Y1041-M1044 WeakPolarHBondContact O-CB 3.19Å; Y1041-M1044 PolarHBondContact O-N 3.4Å; Y1041-I1045 WeakPolarHBondContact O-CG1 3.21Å; Y1041-I1045 PolarHBondContact O-N 3.33Å |
| 1042 | L | 89 | Confident | 87.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 173.5 | -169.5 | 74 | 0 | 0 | 0 | 112.7 | A1038 L1040 M1044 I1045 F1046 L1064 M1068 L1076 L1080 | A1038-L1042 VanDerWaalsContact O-CB 3.24Å; A1038-L1042 WeakPolarHBondContact O-CB 3.17Å; A1038-L1042 PolarHBondContact O-N 3.4Å; L1040-L1042 VanDerWaalsContact C-N 3.27Å; L1040-L1042 PolarHBondContact O-N 3.26Å; L1042-M1044 VanDerWaalsContact C-N 3.31Å; L1042-M1044 PolarHBondContact O-N 3.31Å; L1042-I1045 PolarHBondContact O-N 3.46Å; L1042-F1046 HydrophobicContact CD1-CE1 3.99Å; L1042-F1046 HydrophobicContact CD1-CZ 3.93Å; L1042-F1046 HydrophobicContact CD2-CE2 4.03Å; L1042-F1046 HydrophobicContact CD2-CZ 3.7Å; L1042-F1046 HydrophobicContact CG-CE1 3.99Å; L1042-F1046 HydrophobicContact CG-CE2 3.82Å; L1042-F1046 HydrophobicContact CG-CZ 3.49Å; L1042-F1046 VanDerWaalsContact CG-CZ 3.49Å; L1042-F1046 WeakPolarHBondContact O-CD2 3.39Å; L1042-F1046 VanDerWaalsContact O-CG 3.25Å; L1042-F1046 WeakPolarHBondContact O-CG 3.31Å; L1042-F1046 PolarHBondContact O-N 2.85Å; L1042-L1064 HydrophobicContact CD1-CD2 4.17Å; L1042-M1068 HydrophobicContact CD1-CG 4.13Å; L1042-M1068 HydrophobicContact CD1-SD 4.16Å; L1042-M1068 HydrophobicContact CD2-CG 4.44Å; L1042-M1068 HydrophobicContact CD2-SD 3.85Å; L1042-M1068 HydrophobicContact CG-SD 4.49Å; L1042-L1076 HydrophobicContact CD2-CD1 4.17Å; L1042-L1076 HydrophobicContact CD2-CD2 3.77Å; L1042-L1076 HydrophobicContact CD2-CG 4.02Å; L1042-L1080 HydrophobicContact CD1-CD2 4.42Å; L1042-L1080 HydrophobicContact CD2-CD2 4.15Å; L1042-L1080 HydrophobicContact CD2-CG 4.41Å |
| 1043 | R | 88.2 | Confident | 86.8 | Confident | 131 Ų | 131 | 44.6 Ų | 44.6 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.3 | -33 | 172.3 | -74.9 | -178 | -174.8 | 177.8 | 4.2 | 112.9 | N951 K1039 L1040 Q1047 | N951-R1043 WeakPolarHBondContact OD1-CD 3.37Å; N951-R1043 PolarHBondContact OD1-NH1 3.21Å; K1039-R1043 WeakPolarHBondContact O-CG 3.45Å; K1039-R1043 PolarHBondContact O-N 3.49Å; L1040-R1043 WeakPolarHBondContact O-CA 3.11Å; L1040-R1043 WeakPolarHBondContact O-CB 3.3Å; L1040-R1043 PolarHBondContact O-N 3.18Å; R1043-Q1047 PolarHBondContact O-NE2 3.17Å |
| 1044 | M | 92 | Very high | 86.7 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -46.8 | 173.3 | -166.6 | -177.3 | -178.2 | 0 | 0 | 110.5 | V929 L933 A954 L957 A958 L1021 L1025 L1040 Y1041 L1042 F1046 Q1047 L1048 | V929-M1044 HydrophobicContact CG1-CE 3.74Å; V929-M1044 HydrophobicContact CG1-SD 3.86Å; L933-M1044 HydrophobicContact CD1-SD 3.86Å; A954-M1044 HydrophobicContact CB-CB 4.31Å; A954-M1044 HydrophobicContact CB-CG 4.24Å; A954-M1044 HydrophobicContact CB-SD 4.23Å; L957-M1044 HydrophobicContact CB-CE 3.94Å; A958-M1044 HydrophobicContact CB-CE 3.84Å; A958-M1044 HydrophobicContact CB-CG 4.26Å; L1021-M1044 HydrophobicContact CD1-CE 4.16Å; L1025-M1044 HydrophobicContact CD1-CB 4.33Å; L1025-M1044 HydrophobicContact CD1-CG 4.26Å; L1025-M1044 HydrophobicContact CD1-SD 3.75Å; L1040-M1044 PolarHBondContact O-N 2.76Å; Y1041-M1044 WeakPolarHBondContact O-CB 3.19Å; Y1041-M1044 PolarHBondContact O-N 3.4Å; L1042-M1044 VanDerWaalsContact C-N 3.31Å; L1042-M1044 PolarHBondContact O-N 3.31Å; M1044-F1046 PolarHBondContact O-N 3.01Å; M1044-Q1047 WeakPolarHBondContact O-CA 3.49Å; M1044-Q1047 WeakPolarHBondContact O-CB 3.34Å; M1044-Q1047 PolarHBondContact O-N 3.17Å; M1044-L1048 HydrophobicContact CE-CD2 4.5Å; M1044-L1048 PolarHBondContact O-N 3.14Å |
| 1045 | I | 91.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.1 | -39.8 | 176.3 | -71 | 167.9 | 0 | 0 | 0 | 111.9 | L1025 Y1041 L1042 Q1047 L1048 L1061 L1064 F1083 | L1025-I1045 HydrophobicContact CB-CD1 3.73Å; L1025-I1045 HydrophobicContact CB-CG1 3.86Å; L1025-I1045 HydrophobicContact CD1-CG1 4.2Å; Y1041-I1045 WeakPolarHBondContact O-CG1 3.21Å; Y1041-I1045 PolarHBondContact O-N 3.33Å; L1042-I1045 PolarHBondContact O-N 3.46Å; I1045-Q1047 PolarHBondContact O-N 2.9Å; I1045-L1048 PolarHBondContact O-N 3.47Å; I1045-L1048 VanDerWaalsContact O-N 3.15Å; I1045-L1061 HydrophobicContact CG2-CD2 3.44Å; I1045-L1061 VanDerWaalsContact CG2-CD2 3.44Å; I1045-L1064 HydrophobicContact CD1-CD2 3.73Å; I1045-L1064 HydrophobicContact CG2-CD2 4.47Å; I1045-F1083 HydrophobicContact CG2-CE1 4.46Å; I1045-F1083 HydrophobicContact CG2-CZ 4.3Å |
| 1046 | F | 88.3 | Confident | 86.5 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.3 | 176.3 | -62 | -27.6 | 0 | 0 | 0 | 114.8 | L1042 M1044 T1079 L1080 F1083 | L1042-F1046 HydrophobicContact CD1-CE1 3.99Å; L1042-F1046 HydrophobicContact CD1-CZ 3.93Å; L1042-F1046 HydrophobicContact CD2-CE2 4.03Å; L1042-F1046 HydrophobicContact CD2-CZ 3.7Å; L1042-F1046 HydrophobicContact CG-CE1 3.99Å; L1042-F1046 HydrophobicContact CG-CE2 3.82Å; L1042-F1046 HydrophobicContact CG-CZ 3.49Å; L1042-F1046 VanDerWaalsContact CG-CZ 3.49Å; L1042-F1046 WeakPolarHBondContact O-CD2 3.39Å; L1042-F1046 VanDerWaalsContact O-CG 3.25Å; L1042-F1046 WeakPolarHBondContact O-CG 3.31Å; L1042-F1046 PolarHBondContact O-N 2.85Å; M1044-F1046 PolarHBondContact O-N 3.01Å; F1046-T1079 HydrophobicContact CD2-CG2 3.55Å; F1046-T1079 HydrophobicContact CE2-CG2 3.42Å; F1046-T1079 VanDerWaalsContact CE2-CG2 3.42Å; F1046-T1079 HydrophobicContact CG-CG2 4.43Å; F1046-T1079 HydrophobicContact CZ-CG2 4.2Å; F1046-L1080 HydrophobicContact CE1-CD2 4.24Å; F1046-L1080 HydrophobicContact CZ-CD2 3.83Å; F1046-L1080 HydrophobicContact CZ-CG 4.06Å; F1046-F1083 HydrophobicContact CD1-CB 4.05Å; F1046-F1083 AromaticContact CD1-CD1 3.58Å; F1046-F1083 HydrophobicContact CD1-CD1 3.58Å; F1046-F1083 AromaticContact CD1-CD2 3.67Å; F1046-F1083 HydrophobicContact CD1-CD2 3.67Å; F1046-F1083 AromaticContact CD1-CE1 3.81Å; F1046-F1083 HydrophobicContact CD1-CE1 3.81Å; F1046-F1083 AromaticContact CD1-CE2 3.91Å; F1046-F1083 HydrophobicContact CD1-CE2 3.91Å; F1046-F1083 AromaticContact CD1-CG 3.49Å; F1046-F1083 HydrophobicContact CD1-CG 3.49Å; F1046-F1083 VanDerWaalsContact CD1-CG 3.49Å; F1046-F1083 AromaticContact CD1-CZ 3.98Å; F1046-F1083 HydrophobicContact CD1-CZ 3.98Å; F1046-F1083 HydrophobicContact CE1-CB 3.94Å; F1046-F1083 AromaticContact CE1-CD1 3.49Å; F1046-F1083 HydrophobicContact CE1-CD1 3.49Å; F1046-F1083 VanDerWaalsContact CE1-CD1 3.49Å; F1046-F1083 HydrophobicContact CE1-CD2 4.33Å; F1046-F1083 AromaticContact CE1-CE1 4Å; F1046-F1083 HydrophobicContact CE1-CE1 4Å; F1046-F1083 AromaticContact CE1-CG 3.68Å; F1046-F1083 HydrophobicContact CE1-CG 3.68Å; F1046-F1083 HydrophobicContact CG-CD2 4.42Å |
| 1047 | Q | 89.3 | Confident | 86.6 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 40% | 0.397 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -18.5 | 174.6 | -63 | 178.5 | 71.2 | 0 | 0 | 112.7 | S955 A958 R1043 M1044 I1045 | S955-Q1047 PolarHBondContact OG-NE2 3.18Å; S955-Q1047 PolarHBondContact OG-OE1 3.36Å; A958-Q1047 HydrophobicContact CB-CB 4.38Å; R1043-Q1047 PolarHBondContact O-NE2 3.17Å; M1044-Q1047 WeakPolarHBondContact O-CA 3.49Å; M1044-Q1047 WeakPolarHBondContact O-CB 3.34Å; M1044-Q1047 PolarHBondContact O-N 3.17Å; I1045-Q1047 PolarHBondContact O-N 2.9Å |
| 1048 | L | 89.7 | Confident | 86.3 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | trans | -69.5 | 140.5 | -179.5 | -61.7 | 179.7 | 0 | 0 | 0 | 111.4 | A958 H1018 L1021 V1022 L1025 M1044 I1045 P1050 | A958-L1048 HydrophobicContact CB-CD2 4.04Å; H1018-L1048 HydrophobicContact CB-CB 4.4Å; L1021-L1048 HydrophobicContact CB-CD1 3.63Å; L1021-L1048 HydrophobicContact CD1-CD1 4.41Å; L1021-L1048 HydrophobicContact CD1-CD2 3.84Å; V1022-L1048 HydrophobicContact CG2-CB 4.26Å; V1022-L1048 HydrophobicContact CG2-CD1 3.7Å; L1025-L1048 HydrophobicContact CD1-CD1 4.32Å; M1044-L1048 HydrophobicContact CE-CD2 4.5Å; M1044-L1048 PolarHBondContact O-N 3.14Å; I1045-L1048 PolarHBondContact O-N 3.47Å; I1045-L1048 VanDerWaalsContact O-N 3.15Å; L1048-P1050 VanDerWaalsContact C-CD 3.48Å; L1048-P1050 WeakPolarHBondContact O-CD 3.48Å | ||
| 1049 | R | 87.5 | Confident | 86 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | trans | -110.1 | 83.4 | 174.2 | -62.1 | -166.5 | -68.6 | 153.8 | -4.3 | 109.8 | D962 T964 H965 N1015 H1018 | D962-R1049 VanDerWaalsContact CG-NH2 3.28Å; D962-R1049 IonicContact OD1-CZ 2.89Å; D962-R1049 IonicContact OD1-NH2 3.1Å; D962-R1049 PolarHBondContact OD1-NH2 3.47Å; D962-R1049 IonicContact OD2-CZ 3.54Å; D962-R1049 IonicContact OD2-NE 2.8Å; D962-R1049 PolarHBondContact OD2-NE 3.29Å; D962-R1049 IonicContact OD2-NH2 2.62Å; D962-R1049 PolarHBondContact OD2-NH2 3.29Å; T964-R1049 PolarHBondContact OG1-NH1 3.3Å; T964-R1049 PolarHBondContact OG1-NH2 2.62Å; H965-R1049 PolarHBondContact CD2-NH2 2.82Å; H965-R1049 PolarHBondContact CE1-NH2 2.93Å; H965-R1049 PolarHBondContact NE2-NH2 3.13Å; N1015-R1049 WeakPolarHBondContact CB-O 3.21Å; H1018-R1049 PolarHBondContact ND1-N 3.41Å; H1018-R1049 PolarHBondContact ND1-O 3.26Å; H1018-R1049 VanDerWaalsContact ND1-O 3.13Å | ||
| 1050 | P | 84.6 | Confident | 85.9 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 7% | 0.065 | 20% | 0.199 | C | C | . | . | trans | -69.5 | 163.4 | 177.7 | 29.2 | -36.4 | 0 | 0 | 0 | 112.6 | D1019 L1048 V1057 L1061 | D1019-P1050 VanDerWaalsContact OD1-CA 3.3Å; D1019-P1050 WeakPolarHBondContact OD1-CA 3.46Å; D1019-P1050 WeakPolarHBondContact OD1-CB 3.47Å; L1048-P1050 VanDerWaalsContact C-CD 3.48Å; L1048-P1050 WeakPolarHBondContact O-CD 3.48Å; P1050-V1057 HydrophobicContact CB-CG1 3.74Å; P1050-V1057 HydrophobicContact CG-CG1 4.34Å; P1050-L1061 HydrophobicContact CG-CD1 4.07Å | ||
| 1051 | S | 87.1 | Confident | 85.8 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | trans | -66.8 | 131.5 | -175 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | I1013 N1015 D1019 E1053 N1054 | I1013-S1051 CarbonylContact O-C 3.54Å; I1013-S1051 WeakPolarHBondContact O-CA 3.47Å; N1015-S1051 VanDerWaalsContact C-OG 3.23Å; N1015-S1051 PolarHBondContact N-OG 3.02Å; N1015-S1051 PolarHBondContact O-OG 3.34Å; D1019-S1051 VanDerWaalsContact CG-OG 3.32Å; D1019-S1051 PolarHBondContact OD1-N 2.89Å; D1019-S1051 PolarHBondContact OD1-OG 2.97Å; D1019-S1051 WeakPolarHBondContact OD2-CB 3.45Å; D1019-S1051 PolarHBondContact OD2-OG 3.36Å; S1051-E1053 PolarHBondContact O-N 3.43Å; S1051-N1054 PolarHBondContact O-N 3.02Å; S1051-N1054 VanDerWaalsContact O-N 3.09Å | ||
| 1052 | T | 80.3 | Confident | 85.4 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.129 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.9 | -177.9 | 41.3 | 0 | 0 | 0 | 0 | 114.3 | I1013 L1094 | I1013-T1052 HydrophobicContact CB-CG2 4.17Å; I1013-T1052 PolarHBondContact N-OG1 2.99Å; I1013-T1052 PolarHBondContact O-N 3.46Å; I1013-T1052 PolarHBondContact O-OG1 3.01Å; T1052-L1094 VanDerWaalsContact O-CD1 3.29Å; T1052-L1094 WeakPolarHBondContact O-CD1 3.48Å |
| 1053 | E | 77.7 | Confident | 85.2 | Confident | 115 Ų | 115 | 45.7 Ų | 45.7 | 54% | 0.537 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.9 | 177 | -56 | -165.3 | 143.1 | 0 | 0 | 112.7 | K1012 S1051 I1055 | K1012-E1053 WeakPolarHBondContact CD-OE1 3.5Å; K1012-E1053 WeakPolarHBondContact CE-OE1 3.37Å; K1012-E1053 IonicContact NZ-OE1 3.22Å; K1012-E1053 PolarHBondContact NZ-OE1 2.94Å; S1051-E1053 PolarHBondContact O-N 3.43Å; E1053-I1055 PolarHBondContact O-N 3.3Å |
| 1054 | N | 81.9 | Confident | 85.1 | Confident | 50 Ų | 50 | 39.5 Ų | 39.5 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | trans | -87.1 | 74.8 | -175.9 | -163.2 | -21.6 | 0 | 0 | 0 | 111.7 | D1019 S1051 Q1056 V1057 H1058 | D1019-N1054 VanDerWaalsContact CG-ND2 3.29Å; D1019-N1054 PolarHBondContact OD2-ND2 2.95Å; S1051-N1054 PolarHBondContact O-N 3.02Å; S1051-N1054 VanDerWaalsContact O-N 3.09Å; N1054-Q1056 PolarHBondContact O-N 3.1Å; N1054-Q1056 VanDerWaalsContact O-N 3.11Å; N1054-V1057 HydrophobicContact CB-CB 4.29Å; N1054-V1057 HydrophobicContact CB-CG2 4.4Å; N1054-V1057 VanDerWaalsContact CG-CG2 3.49Å; N1054-V1057 VanDerWaalsContact ND2-CG2 3.33Å; N1054-V1057 WeakPolarHBondContact ND2-CG2 3.49Å; N1054-V1057 PolarHBondContact O-N 2.68Å; N1054-V1057 PolarHBondContact OD1-N 2.93Å; N1054-H1058 PolarHBondContact O-N 2.82Å | ||
| 1055 | I | 78.5 | Confident | 84.8 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 41% | 0.405 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -52.5 | -34.1 | 179.4 | -57.9 | -176.3 | 0 | 0 | 0 | 112 | E1053 H1058 K1059 I1096 | E1053-I1055 PolarHBondContact O-N 3.3Å; I1055-H1058 PolarHBondContact O-N 2.92Å; I1055-K1059 WeakPolarHBondContact O-CG 3.49Å; I1055-K1059 PolarHBondContact O-N 3.33Å; I1055-K1059 VanDerWaalsContact O-N 3.11Å; I1055-I1096 HydrophobicContact CB-CD1 4.44Å; I1055-I1096 HydrophobicContact CD1-CD1 4.26Å; I1055-I1096 HydrophobicContact CD1-CG1 4.31Å; I1055-I1096 HydrophobicContact CG1-CD1 3.94Å; I1055-I1096 HydrophobicContact CG2-CD1 4.05Å |
| 1056 | Q | 83.5 | Confident | 84.5 | Confident | 101 Ų | 101 | 42.1 Ų | 42.1 | 47% | 0.472 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.4 | -44.1 | -177.9 | 179.9 | 56.1 | 25 | 0 | 0 | 112 | N1054 H1058 K1059 E1060 | N1054-Q1056 PolarHBondContact O-N 3.1Å; N1054-Q1056 VanDerWaalsContact O-N 3.11Å; Q1056-H1058 VanDerWaalsContact C-N 3.28Å; Q1056-H1058 PolarHBondContact O-N 2.74Å; Q1056-K1059 WeakPolarHBondContact O-CB 3.49Å; Q1056-K1059 PolarHBondContact O-N 3.41Å; Q1056-K1059 VanDerWaalsContact O-N 3.07Å; Q1056-E1060 WeakPolarHBondContact CG-OE1 3.49Å; Q1056-E1060 PolarHBondContact NE2-OE1 3.4Å; Q1056-E1060 PolarHBondContact O-N 3.46Å |
| 1057 | V | 84.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | D1019 V1022 P1050 N1054 K1059 E1060 L1061 | D1019-V1057 HydrophobicContact CB-CG2 3.92Å; V1022-V1057 HydrophobicContact CB-CG1 4.12Å; V1022-V1057 HydrophobicContact CG1-CG1 3.8Å; V1022-V1057 HydrophobicContact CG2-CG1 4.47Å; P1050-V1057 HydrophobicContact CB-CG1 3.74Å; P1050-V1057 HydrophobicContact CG-CG1 4.34Å; N1054-V1057 HydrophobicContact CB-CB 4.29Å; N1054-V1057 HydrophobicContact CB-CG2 4.4Å; N1054-V1057 VanDerWaalsContact CG-CG2 3.49Å; N1054-V1057 VanDerWaalsContact ND2-CG2 3.33Å; N1054-V1057 WeakPolarHBondContact ND2-CG2 3.49Å; N1054-V1057 PolarHBondContact O-N 2.68Å; N1054-V1057 PolarHBondContact OD1-N 2.93Å; V1057-K1059 PolarHBondContact O-N 3.46Å; V1057-E1060 PolarHBondContact O-N 2.89Å; V1057-L1061 HydrophobicContact CG1-CD1 4.12Å; V1057-L1061 WeakPolarHBondContact O-CG 3.32Å; V1057-L1061 PolarHBondContact O-N 2.8Å |
| 1058 | H | 82.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.3 | -33.7 | 173.8 | -70.8 | -41.4 | 0 | 0 | 0 | 113.4 | N1054 I1055 Q1056 L1062 L1087 M1091 | N1054-H1058 PolarHBondContact O-N 2.82Å; I1055-H1058 PolarHBondContact O-N 2.92Å; Q1056-H1058 VanDerWaalsContact C-N 3.28Å; Q1056-H1058 PolarHBondContact O-N 2.74Å; H1058-L1062 PolarHBondContact O-N 3.49Å; H1058-L1087 HydrophobicContact CB-CD2 4.03Å; H1058-L1087 WeakPolarHBondContact O-CD2 3.46Å; H1058-M1091 HydrophobicContact CB-CE 4.48Å; H1058-M1091 HydrophobicContact CB-CG 4.07Å; H1058-M1091 HydrophobicContact CB-SD 4.01Å |
| 1059 | K | 82.5 | Confident | 83.8 | Confident | 79 Ų | 79 | 40 Ų | 40 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.4 | -45.1 | 171.3 | -69.4 | 175.1 | 178.9 | 177 | 0 | 112.3 | I1055 Q1056 V1057 L1061 L1062 T1063 L1101 | I1055-K1059 WeakPolarHBondContact O-CG 3.49Å; I1055-K1059 PolarHBondContact O-N 3.33Å; I1055-K1059 VanDerWaalsContact O-N 3.11Å; Q1056-K1059 WeakPolarHBondContact O-CB 3.49Å; Q1056-K1059 PolarHBondContact O-N 3.41Å; Q1056-K1059 VanDerWaalsContact O-N 3.07Å; V1057-K1059 PolarHBondContact O-N 3.46Å; K1059-L1061 VanDerWaalsContact C-N 3.31Å; K1059-L1061 PolarHBondContact O-N 2.95Å; K1059-L1062 PolarHBondContact O-N 3Å; K1059-L1062 VanDerWaalsContact O-N 3.08Å; K1059-T1063 PolarHBondContact O-N 3.21Å; K1059-T1063 PolarHBondContact O-OG1 2.91Å; K1059-L1101 HydrophobicContact CD-CD2 4.36Å; K1059-L1101 HydrophobicContact CG-CD1 4.25Å; K1059-L1101 HydrophobicContact CG-CD2 4.09Å |
| 1060 | E | 84 | Confident | 83.5 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -39.4 | 177.7 | -77.2 | 170.2 | -149.4 | 0 | 0 | 111.8 | S1023 Q1056 V1057 T1063 L1064 | S1023-E1060 PolarHBondContact OG-OE2 3.41Å; S1023-E1060 VanDerWaalsContact OG-OE2 3.12Å; Q1056-E1060 WeakPolarHBondContact CG-OE1 3.49Å; Q1056-E1060 PolarHBondContact NE2-OE1 3.4Å; Q1056-E1060 PolarHBondContact O-N 3.46Å; V1057-E1060 PolarHBondContact O-N 2.89Å; E1060-T1063 PolarHBondContact O-OG1 2.97Å; E1060-L1064 WeakPolarHBondContact O-CB 3.44Å; E1060-L1064 PolarHBondContact O-N 3.08Å |
| 1061 | L | 86.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -37.4 | 172.5 | -72.7 | 166.2 | 0 | 0 | 0 | 112.8 | V1022 I1045 P1050 V1057 K1059 V1065 F1083 L1087 | V1022-L1061 HydrophobicContact CG1-CD1 4.11Å; V1022-L1061 HydrophobicContact CG1-CD2 3.49Å; V1022-L1061 VanDerWaalsContact CG1-CD2 3.49Å; V1022-L1061 HydrophobicContact CG1-CG 3.62Å; V1022-L1061 HydrophobicContact CG2-CD1 4.46Å; V1022-L1061 HydrophobicContact CG2-CD2 4.23Å; I1045-L1061 HydrophobicContact CG2-CD2 3.44Å; I1045-L1061 VanDerWaalsContact CG2-CD2 3.44Å; P1050-L1061 HydrophobicContact CG-CD1 4.07Å; V1057-L1061 HydrophobicContact CG1-CD1 4.12Å; V1057-L1061 WeakPolarHBondContact O-CG 3.32Å; V1057-L1061 PolarHBondContact O-N 2.8Å; K1059-L1061 VanDerWaalsContact C-N 3.31Å; K1059-L1061 PolarHBondContact O-N 2.95Å; L1061-V1065 WeakPolarHBondContact O-CB 3.41Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.3Å; L1061-V1065 PolarHBondContact O-N 3.18Å; L1061-F1083 HydrophobicContact CD2-CE1 4.18Å; L1061-F1083 HydrophobicContact CD2-CZ 4.29Å; L1061-L1087 HydrophobicContact CB-CD1 3.62Å; L1061-L1087 HydrophobicContact CB-CD2 4.06Å; L1061-L1087 HydrophobicContact CB-CG 4.49Å; L1061-L1087 HydrophobicContact CD1-CD1 4.24Å; L1061-L1087 HydrophobicContact CD1-CD2 4.46Å; L1061-L1087 HydrophobicContact CG-CD1 4.45Å |
| 1062 | L | 84 | Confident | 82.4 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.2 | -45.7 | 178.6 | -169 | 66.5 | 0 | 0 | 0 | 111.3 | H1058 K1059 V1065 D1066 R1084 I1088 L1101 | H1058-L1062 PolarHBondContact O-N 3.49Å; K1059-L1062 PolarHBondContact O-N 3Å; K1059-L1062 VanDerWaalsContact O-N 3.08Å; L1062-V1065 PolarHBondContact O-N 3.17Å; L1062-D1066 PolarHBondContact O-N 3.19Å; L1062-R1084 HydrophobicContact CD1-CG 4.17Å; L1062-I1088 HydrophobicContact CD1-CG1 4.3Å; L1062-L1101 HydrophobicContact CD2-CD1 4.35Å |
| 1063 | T | 85.3 | Confident | 82.3 | Confident | 60 Ų | 60 | 50.2 Ų | 50.2 | 37% | 0.368 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.5 | -34 | 176.5 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | K1059 E1060 S1067 | K1059-T1063 PolarHBondContact O-N 3.21Å; K1059-T1063 PolarHBondContact O-OG1 2.91Å; E1060-T1063 PolarHBondContact O-OG1 2.97Å; T1063-S1067 VanDerWaalsContact O-CB 3.3Å; T1063-S1067 WeakPolarHBondContact O-CB 3.31Å; T1063-S1067 PolarHBondContact O-N 2.8Å; T1063-S1067 PolarHBondContact O-OG 3.22Å |
| 1064 | L | 86.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 168.5 | 178.1 | 69.7 | 0 | 0 | 0 | 110.9 | A1026 V1029 L1030 L1042 I1045 E1060 S1067 M1068 | A1026-L1064 HydrophobicContact CB-CD1 4.12Å; A1026-L1064 HydrophobicContact CB-CD2 3.84Å; A1026-L1064 HydrophobicContact CB-CG 4.41Å; V1029-L1064 HydrophobicContact CB-CD1 4.1Å; V1029-L1064 HydrophobicContact CG1-CD1 3.74Å; L1030-L1064 HydrophobicContact CD1-CD1 4.3Å; L1030-L1064 HydrophobicContact CD2-CD1 4.02Å; L1030-L1064 HydrophobicContact CG-CD1 3.82Å; L1042-L1064 HydrophobicContact CD1-CD2 4.17Å; I1045-L1064 HydrophobicContact CD1-CD2 3.73Å; I1045-L1064 HydrophobicContact CG2-CD2 4.47Å; E1060-L1064 WeakPolarHBondContact O-CB 3.44Å; E1060-L1064 PolarHBondContact O-N 3.08Å; L1064-S1067 PolarHBondContact O-N 3.11Å; L1064-M1068 HydrophobicContact CD1-CG 4.19Å; L1064-M1068 HydrophobicContact CG-CG 4.3Å; L1064-M1068 VanDerWaalsContact O-CB 3.28Å; L1064-M1068 WeakPolarHBondContact O-CB 3.31Å; L1064-M1068 WeakPolarHBondContact O-CG 3.15Å; L1064-M1068 PolarHBondContact O-N 2.96Å |
| 1065 | V | 85.8 | Confident | 81.8 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -42 | -179.5 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | L1061 L1062 S1067 M1068 S1069 L1080 F1083 R1084 | L1061-V1065 WeakPolarHBondContact O-CB 3.41Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.3Å; L1061-V1065 PolarHBondContact O-N 3.18Å; L1062-V1065 PolarHBondContact O-N 3.17Å; V1065-S1067 VanDerWaalsContact C-N 3.34Å; V1065-M1068 PolarHBondContact O-N 3.27Å; V1065-S1069 WeakPolarHBondContact O-CB 3.2Å; V1065-S1069 PolarHBondContact O-N 3.4Å; V1065-S1069 PolarHBondContact O-OG 2.88Å; V1065-L1080 HydrophobicContact CB-CD2 4.31Å; V1065-L1080 HydrophobicContact CG1-CD2 4.11Å; V1065-L1080 HydrophobicContact CG2-CD2 3.99Å; V1065-F1083 HydrophobicContact CG2-CD1 3.81Å; V1065-F1083 HydrophobicContact CG2-CE1 4.22Å; V1065-R1084 HydrophobicContact CG1-CB 3.9Å; V1065-R1084 HydrophobicContact CG1-CG 4.19Å |
| 1066 | D | 84.5 | Confident | 81.7 | Confident | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 174 | -82.4 | -61.6 | 0 | 0 | 0 | 112.4 | L1062 R1084 | L1062-D1066 PolarHBondContact O-N 3.19Å; D1066-R1084 IonicContact OD1-CZ 2.8Å; D1066-R1084 VanDerWaalsContact OD1-CZ 3.26Å; D1066-R1084 IonicContact OD1-NH1 3.7Å; D1066-R1084 PolarHBondContact OD1-NH1 3.39Å; D1066-R1084 VanDerWaalsContact OD1-NH1 3.1Å; D1066-R1084 IonicContact OD1-NH2 2.72Å; D1066-R1084 PolarHBondContact OD1-NH2 2.93Å; D1066-R1084 IonicContact OD2-CZ 2.71Å; D1066-R1084 VanDerWaalsContact OD2-CZ 3.22Å; D1066-R1084 IonicContact OD2-NH1 2.82Å; D1066-R1084 PolarHBondContact OD2-NH1 2.89Å; D1066-R1084 IonicContact OD2-NH2 3.82Å; D1066-R1084 PolarHBondContact OD2-NH2 2.89Å |
| 1067 | S | 85.1 | Confident | 81.6 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 175.6 | -58 | 0 | 0 | 0 | 0 | 111.4 | T1063 L1064 V1065 S1069 K1070 F1071 | T1063-S1067 VanDerWaalsContact O-CB 3.3Å; T1063-S1067 WeakPolarHBondContact O-CB 3.31Å; T1063-S1067 PolarHBondContact O-N 2.8Å; T1063-S1067 PolarHBondContact O-OG 3.22Å; L1064-S1067 PolarHBondContact O-N 3.11Å; V1065-S1067 VanDerWaalsContact C-N 3.34Å; S1067-S1069 VanDerWaalsContact C-N 3.32Å; S1067-S1069 PolarHBondContact O-N 2.9Å; S1067-K1070 WeakPolarHBondContact O-CB 3.37Å; S1067-K1070 PolarHBondContact O-N 3.22Å; S1067-F1071 WeakPolarHBondContact O-CD2 3.28Å |
| 1068 | M | 85.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -33.5 | 178.5 | -76.1 | -87.5 | 82 | 0 | 0 | 113.2 | V1029 P1033 L1042 L1064 V1065 K1070 F1071 A1072 L1080 | V1029-M1068 HydrophobicContact CG1-CE 3.82Å; V1029-M1068 HydrophobicContact CG1-CG 4.1Å; V1029-M1068 HydrophobicContact CG1-SD 3.34Å; V1029-M1068 WeakPolarHBondContact CG1-SD 3.39Å; P1033-M1068 HydrophobicContact CB-CE 3.62Å; P1033-M1068 WeakPolarHBondContact O-CE 3.48Å; L1042-M1068 HydrophobicContact CD1-CG 4.13Å; L1042-M1068 HydrophobicContact CD1-SD 4.16Å; L1042-M1068 HydrophobicContact CD2-CG 4.44Å; L1042-M1068 HydrophobicContact CD2-SD 3.85Å; L1042-M1068 HydrophobicContact CG-SD 4.49Å; L1064-M1068 HydrophobicContact CD1-CG 4.19Å; L1064-M1068 HydrophobicContact CG-CG 4.3Å; L1064-M1068 VanDerWaalsContact O-CB 3.28Å; L1064-M1068 WeakPolarHBondContact O-CB 3.31Å; L1064-M1068 WeakPolarHBondContact O-CG 3.15Å; L1064-M1068 PolarHBondContact O-N 2.96Å; V1065-M1068 PolarHBondContact O-N 3.27Å; M1068-K1070 PolarHBondContact O-N 2.96Å; M1068-K1070 VanDerWaalsContact O-N 3.1Å; M1068-F1071 CarbonylContact O-C 3.48Å; M1068-F1071 PolarHBondContact O-N 3.42Å; M1068-A1072 WeakPolarHBondContact O-CB 3.42Å; M1068-A1072 PolarHBondContact O-N 3.29Å; M1068-L1080 HydrophobicContact CB-CD1 3.95Å; M1068-L1080 HydrophobicContact CB-CD2 3.89Å |
| 1069 | S | 81.1 | Confident | 81.4 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -25 | 179.1 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | V1065 S1067 F1071 | V1065-S1069 WeakPolarHBondContact O-CB 3.2Å; V1065-S1069 PolarHBondContact O-N 3.4Å; V1065-S1069 PolarHBondContact O-OG 2.88Å; S1067-S1069 VanDerWaalsContact C-N 3.32Å; S1067-S1069 PolarHBondContact O-N 2.9Å; S1069-F1071 VanDerWaalsContact C-N 3.34Å |
| 1070 | K | 81.6 | Confident | 81.6 | Confident | 170 Ų | 170 | 56.6 Ų | 56.6 | 74% | 0.739 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -19.2 | 176.1 | -58.7 | 176.3 | -176.2 | 176.5 | 0 | 114 | S1067 M1068 | S1067-K1070 WeakPolarHBondContact O-CB 3.37Å; S1067-K1070 PolarHBondContact O-N 3.22Å; M1068-K1070 PolarHBondContact O-N 2.96Å; M1068-K1070 VanDerWaalsContact O-N 3.1Å |
| 1071 | F | 77.3 | Confident | 81.5 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 0.8 | -175 | -55.7 | -69.9 | 0 | 0 | 0 | 113.2 | P1033 Q1034 S1067 M1068 S1069 | P1033-F1071 HydrophobicContact CB-CB 4.29Å; P1033-F1071 HydrophobicContact CB-CD2 3.55Å; P1033-F1071 HydrophobicContact CB-CE2 3.96Å; P1033-F1071 HydrophobicContact CB-CG 3.89Å; P1033-F1071 HydrophobicContact CG-CD2 4.2Å; P1033-F1071 HydrophobicContact CG-CE2 4.12Å; Q1034-F1071 HydrophobicContact CG-CB 4.42Å; Q1034-F1071 HydrophobicContact CG-CD1 4.33Å; S1067-F1071 WeakPolarHBondContact O-CD2 3.28Å; M1068-F1071 CarbonylContact O-C 3.48Å; M1068-F1071 PolarHBondContact O-N 3.42Å; S1069-F1071 VanDerWaalsContact C-N 3.34Å |
| 1072 | A | 72 | Confident | 81.4 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | trans | -72.9 | 131.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1068 L1076 N1077 L1080 | M1068-A1072 WeakPolarHBondContact O-CB 3.42Å; M1068-A1072 PolarHBondContact O-N 3.29Å; A1072-L1076 HydrophobicContact CB-CB 4.13Å; A1072-L1076 HydrophobicContact CB-CD2 4.25Å; A1072-N1077 VanDerWaalsContact CB-ND2 3.32Å; A1072-N1077 WeakPolarHBondContact CB-ND2 3.38Å; A1072-N1077 PolarHBondContact O-ND2 3.36Å; A1072-L1080 HydrophobicContact CB-CD1 3.55Å | ||
| 1073 | D | 77.2 | Confident | 81.4 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | trans | -71.4 | 174 | 166.8 | 66.8 | 60.9 | 0 | 0 | 0 | 111.8 | K1039 S1075 L1076 N1077 | K1039-D1073 IonicContact NZ-OD2 3.89Å; K1039-D1073 PolarHBondContact NZ-OD2 3.07Å; D1073-S1075 PolarHBondContact O-N 3.11Å; D1073-S1075 WeakPolarHBondContact OD1-CA 3.47Å; D1073-S1075 WeakPolarHBondContact OD1-CB 3.48Å; D1073-S1075 PolarHBondContact OD1-N 3.02Å; D1073-S1075 PolarHBondContact OD1-OG 3.09Å; D1073-L1076 PolarHBondContact O-N 3.49Å; D1073-L1076 PolarHBondContact OD1-N 3.18Å; D1073-N1077 WeakPolarHBondContact O-CB 3.37Å; D1073-N1077 PolarHBondContact O-N 2.65Å; D1073-N1077 PolarHBondContact O-ND2 3.25Å | ||
| 1074 | R | 75.9 | Confident | 81.5 | Confident | 240 Ų | 240 | 67.4 Ų | 67.4 | 91% | 0.906 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.9 | -23.3 | -176.1 | -166.4 | 174.6 | -176.2 | 175.2 | 3.1 | 113.6 | ||
| 1075 | S | 73.6 | Confident | 81.4 | Confident | 85 Ų | 85 | 73.6 Ų | 73.6 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -82.4 | -42.8 | 174.7 | 77.3 | 0 | 0 | 0 | 0 | 111.4 | D1073 | D1073-S1075 PolarHBondContact O-N 3.11Å; D1073-S1075 WeakPolarHBondContact OD1-CA 3.47Å; D1073-S1075 WeakPolarHBondContact OD1-CB 3.48Å; D1073-S1075 PolarHBondContact OD1-N 3.02Å; D1073-S1075 PolarHBondContact OD1-OG 3.09Å |
| 1076 | L | 76.7 | Confident | 81.2 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.6 | -38.1 | -177.3 | -147.6 | 76.6 | 0 | 0 | 0 | 111.9 | L1042 A1072 D1073 L1078 T1079 L1080 | L1042-L1076 HydrophobicContact CD2-CD1 4.17Å; L1042-L1076 HydrophobicContact CD2-CD2 3.77Å; L1042-L1076 HydrophobicContact CD2-CG 4.02Å; A1072-L1076 HydrophobicContact CB-CB 4.13Å; A1072-L1076 HydrophobicContact CB-CD2 4.25Å; D1073-L1076 PolarHBondContact O-N 3.49Å; D1073-L1076 PolarHBondContact OD1-N 3.18Å; L1076-L1078 PolarHBondContact O-N 3.21Å; L1076-T1079 PolarHBondContact O-N 3.24Å; L1076-T1079 VanDerWaalsContact O-N 3.17Å; L1076-L1080 HydrophobicContact CD2-CD1 4.16Å; L1076-L1080 HydrophobicContact CG-CD1 4.15Å; L1076-L1080 WeakPolarHBondContact O-CB 3.33Å; L1076-L1080 PolarHBondContact O-N 2.89Å |
| 1077 | N | 82 | Confident | 81.1 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.5 | -45.4 | 179.1 | -98.7 | -74.8 | 0 | 0 | 0 | 113.6 | A1072 D1073 T1079 L1080 H1081 | A1072-N1077 VanDerWaalsContact CB-ND2 3.32Å; A1072-N1077 WeakPolarHBondContact CB-ND2 3.38Å; A1072-N1077 PolarHBondContact O-ND2 3.36Å; D1073-N1077 WeakPolarHBondContact O-CB 3.37Å; D1073-N1077 PolarHBondContact O-N 2.65Å; D1073-N1077 PolarHBondContact O-ND2 3.25Å; N1077-T1079 VanDerWaalsContact C-N 3.31Å; N1077-T1079 PolarHBondContact O-N 2.84Å; N1077-L1080 PolarHBondContact O-N 3.31Å; N1077-H1081 VanDerWaalsContact O-CB 3.31Å; N1077-H1081 WeakPolarHBondContact O-CB 3.42Å; N1077-H1081 PolarHBondContact O-N 3.21Å |
| 1078 | L | 81.4 | Confident | 81 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 51% | 0.508 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.7 | -34.7 | -177.7 | -171.8 | 63.2 | 0 | 0 | 0 | 111.5 | L1076 R1082 | L1076-L1078 PolarHBondContact O-N 3.21Å; L1078-R1082 VanDerWaalsContact O-CG 3.28Å; L1078-R1082 WeakPolarHBondContact O-CG 3.41Å; L1078-R1082 PolarHBondContact O-N 2.83Å; L1078-R1082 VanDerWaalsContact O-N 3.11Å |
| 1079 | T | 81 | Confident | 80.7 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.5 | -47.3 | 176.3 | -49 | 0 | 0 | 0 | 0 | 111 | F1046 L1076 N1077 H1081 R1082 F1083 | F1046-T1079 HydrophobicContact CD2-CG2 3.55Å; F1046-T1079 HydrophobicContact CE2-CG2 3.42Å; F1046-T1079 VanDerWaalsContact CE2-CG2 3.42Å; F1046-T1079 HydrophobicContact CG-CG2 4.43Å; F1046-T1079 HydrophobicContact CZ-CG2 4.2Å; L1076-T1079 PolarHBondContact O-N 3.24Å; L1076-T1079 VanDerWaalsContact O-N 3.17Å; N1077-T1079 VanDerWaalsContact C-N 3.31Å; N1077-T1079 PolarHBondContact O-N 2.84Å; T1079-H1081 VanDerWaalsContact C-N 3.32Å; T1079-H1081 PolarHBondContact O-N 3.49Å; T1079-R1082 PolarHBondContact O-N 2.92Å; T1079-F1083 WeakPolarHBondContact O-CB 3.21Å; T1079-F1083 PolarHBondContact O-N 3.24Å |
| 1080 | L | 85.3 | Confident | 80.5 | Confident | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 173.1 | -80.5 | 163.2 | 0 | 0 | 0 | 111.9 | L1042 F1046 V1065 M1068 A1072 L1076 N1077 F1083 R1084 | L1042-L1080 HydrophobicContact CD1-CD2 4.42Å; L1042-L1080 HydrophobicContact CD2-CD2 4.15Å; L1042-L1080 HydrophobicContact CD2-CG 4.41Å; F1046-L1080 HydrophobicContact CE1-CD2 4.24Å; F1046-L1080 HydrophobicContact CZ-CD2 3.83Å; F1046-L1080 HydrophobicContact CZ-CG 4.06Å; V1065-L1080 HydrophobicContact CB-CD2 4.31Å; V1065-L1080 HydrophobicContact CG1-CD2 4.11Å; V1065-L1080 HydrophobicContact CG2-CD2 3.99Å; M1068-L1080 HydrophobicContact CB-CD1 3.95Å; M1068-L1080 HydrophobicContact CB-CD2 3.89Å; A1072-L1080 HydrophobicContact CB-CD1 3.55Å; L1076-L1080 HydrophobicContact CD2-CD1 4.16Å; L1076-L1080 HydrophobicContact CG-CD1 4.15Å; L1076-L1080 WeakPolarHBondContact O-CB 3.33Å; L1076-L1080 PolarHBondContact O-N 2.89Å; N1077-L1080 PolarHBondContact O-N 3.31Å; L1080-F1083 PolarHBondContact O-N 2.86Å; L1080-R1084 VanDerWaalsContact O-CB 3.31Å; L1080-R1084 WeakPolarHBondContact O-CB 3.49Å; L1080-R1084 PolarHBondContact O-N 3.08Å |
| 1081 | H | 83.7 | Confident | 80.1 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 178.7 | -176.1 | 80.6 | 0 | 0 | 0 | 112.8 | N1077 T1079 K1085 | N1077-H1081 VanDerWaalsContact O-CB 3.31Å; N1077-H1081 WeakPolarHBondContact O-CB 3.42Å; N1077-H1081 PolarHBondContact O-N 3.21Å; T1079-H1081 VanDerWaalsContact C-N 3.32Å; T1079-H1081 PolarHBondContact O-N 3.49Å; H1081-K1085 PolarHBondContact O-N 2.93Å |
| 1082 | R | 83.7 | Confident | 80.1 | Confident | 154 Ų | 154 | 74.7 Ų | 74.7 | 58% | 0.581 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.5 | -47.5 | 173.1 | -73.1 | 172.5 | -170.4 | 177.4 | 4.3 | 111.4 | L1078 T1079 K1085 Q1086 | L1078-R1082 VanDerWaalsContact O-CG 3.28Å; L1078-R1082 WeakPolarHBondContact O-CG 3.41Å; L1078-R1082 PolarHBondContact O-N 2.83Å; L1078-R1082 VanDerWaalsContact O-N 3.11Å; T1079-R1082 PolarHBondContact O-N 2.92Å; R1082-K1085 PolarHBondContact O-N 3.33Å; R1082-Q1086 WeakPolarHBondContact O-CG 3.46Å; R1082-Q1086 PolarHBondContact O-N 3.17Å |
| 1083 | F | 84.1 | Confident | 80 | Confident | 27 Ų | 27 | 81.6 Ų | 81.6 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | -179.8 | -171.5 | -110.1 | 0 | 0 | 0 | 111.3 | I1045 F1046 L1061 V1065 T1079 L1080 K1085 Q1086 L1087 | I1045-F1083 HydrophobicContact CG2-CE1 4.46Å; I1045-F1083 HydrophobicContact CG2-CZ 4.3Å; F1046-F1083 HydrophobicContact CD1-CB 4.05Å; F1046-F1083 AromaticContact CD1-CD1 3.58Å; F1046-F1083 HydrophobicContact CD1-CD1 3.58Å; F1046-F1083 AromaticContact CD1-CD2 3.67Å; F1046-F1083 HydrophobicContact CD1-CD2 3.67Å; F1046-F1083 AromaticContact CD1-CE1 3.81Å; F1046-F1083 HydrophobicContact CD1-CE1 3.81Å; F1046-F1083 AromaticContact CD1-CE2 3.91Å; F1046-F1083 HydrophobicContact CD1-CE2 3.91Å; F1046-F1083 AromaticContact CD1-CG 3.49Å; F1046-F1083 HydrophobicContact CD1-CG 3.49Å; F1046-F1083 VanDerWaalsContact CD1-CG 3.49Å; F1046-F1083 AromaticContact CD1-CZ 3.98Å; F1046-F1083 HydrophobicContact CD1-CZ 3.98Å; F1046-F1083 HydrophobicContact CE1-CB 3.94Å; F1046-F1083 AromaticContact CE1-CD1 3.49Å; F1046-F1083 HydrophobicContact CE1-CD1 3.49Å; F1046-F1083 VanDerWaalsContact CE1-CD1 3.49Å; F1046-F1083 HydrophobicContact CE1-CD2 4.33Å; F1046-F1083 AromaticContact CE1-CE1 4Å; F1046-F1083 HydrophobicContact CE1-CE1 4Å; F1046-F1083 AromaticContact CE1-CG 3.68Å; F1046-F1083 HydrophobicContact CE1-CG 3.68Å; F1046-F1083 HydrophobicContact CG-CD2 4.42Å; L1061-F1083 HydrophobicContact CD2-CE1 4.18Å; L1061-F1083 HydrophobicContact CD2-CZ 4.29Å; V1065-F1083 HydrophobicContact CG2-CD1 3.81Å; V1065-F1083 HydrophobicContact CG2-CE1 4.22Å; T1079-F1083 WeakPolarHBondContact O-CB 3.21Å; T1079-F1083 PolarHBondContact O-N 3.24Å; L1080-F1083 PolarHBondContact O-N 2.86Å; F1083-K1085 VanDerWaalsContact C-N 3.34Å; F1083-K1085 PolarHBondContact O-N 3.44Å; F1083-Q1086 PolarHBondContact O-N 3.29Å; F1083-L1087 HydrophobicContact CD1-CD1 3.79Å; F1083-L1087 HydrophobicContact CE1-CD1 3.37Å; F1083-L1087 HydrophobicContact CZ-CD1 3.8Å; F1083-L1087 WeakPolarHBondContact O-CB 3.49Å; F1083-L1087 PolarHBondContact O-N 3.01Å |
| 1084 | R | 86.3 | Confident | 79.5 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 19% | 0.185 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -53.2 | -49.9 | 170.9 | -168.7 | -176.9 | -170.8 | 74.9 | -6.5 | 111.5 | L1062 V1065 D1066 L1080 L1087 I1088 | L1062-R1084 HydrophobicContact CD1-CG 4.17Å; V1065-R1084 HydrophobicContact CG1-CB 3.9Å; V1065-R1084 HydrophobicContact CG1-CG 4.19Å; D1066-R1084 IonicContact OD1-CZ 2.8Å; D1066-R1084 VanDerWaalsContact OD1-CZ 3.26Å; D1066-R1084 IonicContact OD1-NH1 3.7Å; D1066-R1084 PolarHBondContact OD1-NH1 3.39Å; D1066-R1084 VanDerWaalsContact OD1-NH1 3.1Å; D1066-R1084 IonicContact OD1-NH2 2.72Å; D1066-R1084 PolarHBondContact OD1-NH2 2.93Å; D1066-R1084 IonicContact OD2-CZ 2.71Å; D1066-R1084 VanDerWaalsContact OD2-CZ 3.22Å; D1066-R1084 IonicContact OD2-NH1 2.82Å; D1066-R1084 PolarHBondContact OD2-NH1 2.89Å; D1066-R1084 IonicContact OD2-NH2 3.82Å; D1066-R1084 PolarHBondContact OD2-NH2 2.89Å; L1080-R1084 VanDerWaalsContact O-CB 3.31Å; L1080-R1084 WeakPolarHBondContact O-CB 3.49Å; L1080-R1084 PolarHBondContact O-N 3.08Å; R1084-L1087 PolarHBondContact O-N 2.93Å; R1084-I1088 HydrophobicContact CG-CD1 3.89Å; R1084-I1088 WeakPolarHBondContact O-CG1 3.27Å; R1084-I1088 PolarHBondContact O-N 3.26Å |
| 1085 | K | 84.6 | Confident | 79 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 179.8 | -174.5 | -178.8 | 174.5 | -175.5 | 0 | 111.1 | H1081 R1082 F1083 L1087 I1088 E1089 | H1081-K1085 PolarHBondContact O-N 2.93Å; R1082-K1085 PolarHBondContact O-N 3.33Å; F1083-K1085 VanDerWaalsContact C-N 3.34Å; F1083-K1085 PolarHBondContact O-N 3.44Å; K1085-L1087 VanDerWaalsContact C-N 3.3Å; K1085-L1087 PolarHBondContact O-N 3.1Å; K1085-I1088 PolarHBondContact O-N 2.8Å; K1085-E1089 VanDerWaalsContact O-CB 3.27Å; K1085-E1089 WeakPolarHBondContact O-CB 3.33Å; K1085-E1089 PolarHBondContact O-N 2.72Å |
| 1086 | Q | 83 | Confident | 78.4 | Confident | 126 Ų | 126 | 71.8 Ų | 71.8 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.8 | -37.8 | 176.5 | -71.9 | 171.6 | -39.8 | 0 | 0 | 112.4 | R1082 F1083 K1090 | R1082-Q1086 WeakPolarHBondContact O-CG 3.46Å; R1082-Q1086 PolarHBondContact O-N 3.17Å; F1083-Q1086 PolarHBondContact O-N 3.29Å; Q1086-K1090 WeakPolarHBondContact O-CB 3.4Å; Q1086-K1090 PolarHBondContact O-N 3.26Å |
| 1087 | L | 81.9 | Confident | 77.4 | Confident | 10 Ų | 10 | 74.8 Ų | 74.8 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.4 | -49 | 176.4 | -114.8 | 143.6 | 0 | 0 | 0 | 112.5 | H1058 L1061 F1083 R1084 K1085 E1089 K1090 M1091 | H1058-L1087 HydrophobicContact CB-CD2 4.03Å; H1058-L1087 WeakPolarHBondContact O-CD2 3.46Å; L1061-L1087 HydrophobicContact CB-CD1 3.62Å; L1061-L1087 HydrophobicContact CB-CD2 4.06Å; L1061-L1087 HydrophobicContact CB-CG 4.49Å; L1061-L1087 HydrophobicContact CD1-CD1 4.24Å; L1061-L1087 HydrophobicContact CD1-CD2 4.46Å; L1061-L1087 HydrophobicContact CG-CD1 4.45Å; F1083-L1087 HydrophobicContact CD1-CD1 3.79Å; F1083-L1087 HydrophobicContact CE1-CD1 3.37Å; F1083-L1087 HydrophobicContact CZ-CD1 3.8Å; F1083-L1087 WeakPolarHBondContact O-CB 3.49Å; F1083-L1087 PolarHBondContact O-N 3.01Å; R1084-L1087 PolarHBondContact O-N 2.93Å; K1085-L1087 VanDerWaalsContact C-N 3.3Å; K1085-L1087 PolarHBondContact O-N 3.1Å; L1087-E1089 VanDerWaalsContact C-N 3.34Å; L1087-E1089 PolarHBondContact O-N 3.43Å; L1087-K1090 WeakPolarHBondContact O-CB 3.46Å; L1087-K1090 PolarHBondContact O-N 3.11Å; L1087-M1091 HydrophobicContact CD2-SD 4.25Å; L1087-M1091 WeakPolarHBondContact O-CG 3.29Å; L1087-M1091 PolarHBondContact O-N 2.9Å |
| 1088 | I | 82.8 | Confident | 76 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 176.5 | -67.7 | 170.1 | 0 | 0 | 0 | 110 | L1062 R1084 K1085 K1090 M1091 E1092 | L1062-I1088 HydrophobicContact CD1-CG1 4.3Å; R1084-I1088 HydrophobicContact CG-CD1 3.89Å; R1084-I1088 WeakPolarHBondContact O-CG1 3.27Å; R1084-I1088 PolarHBondContact O-N 3.26Å; K1085-I1088 PolarHBondContact O-N 2.8Å; I1088-K1090 VanDerWaalsContact C-N 3.29Å; I1088-K1090 PolarHBondContact O-N 2.98Å; I1088-M1091 PolarHBondContact O-N 3.48Å; I1088-M1091 VanDerWaalsContact O-N 3.12Å; I1088-E1092 HydrophobicContact CG2-CG 4.25Å; I1088-E1092 WeakPolarHBondContact CG2-OE1 3.46Å; I1088-E1092 WeakPolarHBondContact O-CB 3.37Å; I1088-E1092 WeakPolarHBondContact O-CG 3.38Å; I1088-E1092 PolarHBondContact O-N 3.12Å |
| 1089 | E | 80.1 | Confident | 74.6 | Confident | 80 Ų | 80 | 75.4 Ų | 75.4 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -32.9 | 178.7 | -162 | -178.4 | 141.7 | 0 | 0 | 112.2 | K1085 L1087 R1093 | K1085-E1089 VanDerWaalsContact O-CB 3.27Å; K1085-E1089 WeakPolarHBondContact O-CB 3.33Å; K1085-E1089 PolarHBondContact O-N 2.72Å; L1087-E1089 VanDerWaalsContact C-N 3.34Å; L1087-E1089 PolarHBondContact O-N 3.43Å; E1089-R1093 WeakPolarHBondContact O-CD 3.39Å; E1089-R1093 WeakPolarHBondContact O-CG 3.5Å; E1089-R1093 PolarHBondContact O-N 3.05Å; E1089-R1093 IonicContact OE1-CZ 2.74Å; E1089-R1093 IonicContact OE1-NE 3.74Å; E1089-R1093 IonicContact OE1-NH2 3.86Å; E1089-R1093 PolarHBondContact OE1-NH2 2.94Å |
| 1090 | K | 75.4 | Confident | 73.1 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 168.9 | -107.9 | -169.4 | 171 | -168.4 | 0 | 112.2 | Q1086 L1087 I1088 E1092 R1093 L1094 | Q1086-K1090 WeakPolarHBondContact O-CB 3.4Å; Q1086-K1090 PolarHBondContact O-N 3.26Å; L1087-K1090 WeakPolarHBondContact O-CB 3.46Å; L1087-K1090 PolarHBondContact O-N 3.11Å; I1088-K1090 VanDerWaalsContact C-N 3.29Å; I1088-K1090 PolarHBondContact O-N 2.98Å; K1090-E1092 VanDerWaalsContact C-N 3.34Å; K1090-E1092 PolarHBondContact O-N 2.74Å; K1090-R1093 PolarHBondContact O-N 3.34Å; K1090-L1094 WeakPolarHBondContact O-CD1 3.49Å; K1090-L1094 VanDerWaalsContact O-CG 3.29Å; K1090-L1094 WeakPolarHBondContact O-CG 3.2Å; K1090-L1094 PolarHBondContact O-N 3.23Å |
| 1091 | M | 75.1 | Confident | 71.2 | Confident | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | -177.9 | -72.4 | 178.4 | 73.9 | 0 | 0 | 112.2 | H1058 L1087 I1088 L1094 G1095 I1096 L1101 | H1058-M1091 HydrophobicContact CB-CE 4.48Å; H1058-M1091 HydrophobicContact CB-CG 4.07Å; H1058-M1091 HydrophobicContact CB-SD 4.01Å; L1087-M1091 HydrophobicContact CD2-SD 4.25Å; L1087-M1091 WeakPolarHBondContact O-CG 3.29Å; L1087-M1091 PolarHBondContact O-N 2.9Å; I1088-M1091 PolarHBondContact O-N 3.48Å; I1088-M1091 VanDerWaalsContact O-N 3.12Å; M1091-L1094 CarbonylContact O-C 3.53Å; M1091-L1094 PolarHBondContact O-N 3.42Å; M1091-L1094 VanDerWaalsContact O-N 3.17Å; M1091-G1095 PolarHBondContact O-N 3.41Å; M1091-I1096 HydrophobicContact CB-CB 4.25Å; M1091-I1096 HydrophobicContact CB-CD1 4.29Å; M1091-I1096 HydrophobicContact CE-CB 4.41Å; M1091-I1096 HydrophobicContact CE-CD1 4.44Å; M1091-I1096 HydrophobicContact CE-CG2 3.75Å; M1091-I1096 HydrophobicContact CG-CD1 4.28Å; M1091-I1096 WeakPolarHBondContact O-CB 3.29Å; M1091-I1096 PolarHBondContact O-N 2.87Å; M1091-L1101 HydrophobicContact CE-CD1 3.65Å |
| 1092 | E | 76.9 | Confident | 69.2 | Low | 103 Ų | 103 | 78.4 Ų | 78.4 | 48% | 0.481 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 177 | -71.3 | 175.7 | 174.7 | 0 | 0 | 111.8 | I1088 K1090 L1094 G1095 S1098 | I1088-E1092 HydrophobicContact CG2-CG 4.25Å; I1088-E1092 WeakPolarHBondContact CG2-OE1 3.46Å; I1088-E1092 WeakPolarHBondContact O-CB 3.37Å; I1088-E1092 WeakPolarHBondContact O-CG 3.38Å; I1088-E1092 PolarHBondContact O-N 3.12Å; K1090-E1092 VanDerWaalsContact C-N 3.34Å; K1090-E1092 PolarHBondContact O-N 2.74Å; E1092-L1094 VanDerWaalsContact C-N 3.26Å; E1092-L1094 PolarHBondContact O-N 3.31Å; E1092-G1095 PolarHBondContact O-N 3.3Å; E1092-G1095 VanDerWaalsContact O-N 3.11Å; E1092-S1098 WeakPolarHBondContact OE1-CB 3.42Å; E1092-S1098 PolarHBondContact OE1-OG 3.32Å |
| 1093 | R | 70 | Confident | 67 | Low | 164 Ų | 164 | 77.3 Ų | 77.3 | 62% | 0.619 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.3 | -30.2 | 170.4 | -70.5 | 171.7 | -167.4 | -153.6 | 8.4 | 113.1 | D1010 E1089 K1090 G1095 | D1010-R1093 IonicContact OD2-NH1 3.96Å; E1089-R1093 WeakPolarHBondContact O-CD 3.39Å; E1089-R1093 WeakPolarHBondContact O-CG 3.5Å; E1089-R1093 PolarHBondContact O-N 3.05Å; E1089-R1093 IonicContact OE1-CZ 2.74Å; E1089-R1093 IonicContact OE1-NE 3.74Å; E1089-R1093 IonicContact OE1-NH2 3.86Å; E1089-R1093 PolarHBondContact OE1-NH2 2.94Å; K1090-R1093 PolarHBondContact O-N 3.34Å; R1093-G1095 PolarHBondContact O-N 3.04Å |
| 1094 | L | 66.9 | Low | 64.5 | Low | 74 Ų | 74 | 79.5 Ų | 79.5 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.5 | 175.5 | -67.3 | 164.6 | 0 | 0 | 0 | 113.2 | T1052 K1090 M1091 E1092 I1096 | T1052-L1094 VanDerWaalsContact O-CD1 3.29Å; T1052-L1094 WeakPolarHBondContact O-CD1 3.48Å; K1090-L1094 WeakPolarHBondContact O-CD1 3.49Å; K1090-L1094 VanDerWaalsContact O-CG 3.29Å; K1090-L1094 WeakPolarHBondContact O-CG 3.2Å; K1090-L1094 PolarHBondContact O-N 3.23Å; M1091-L1094 CarbonylContact O-C 3.53Å; M1091-L1094 PolarHBondContact O-N 3.42Å; M1091-L1094 VanDerWaalsContact O-N 3.17Å; E1092-L1094 VanDerWaalsContact C-N 3.26Å; E1092-L1094 PolarHBondContact O-N 3.31Å; L1094-I1096 VanDerWaalsContact C-N 3.32Å; L1094-I1096 HydrophobicContact CB-CD1 3.92Å; L1094-I1096 HydrophobicContact CB-CG1 4.3Å; L1094-I1096 PolarHBondContact O-N 3.42Å |
| 1095 | G | 65.2 | Low | 62.1 | Low | 69 Ų | 69 | 81.4 Ų | 81.4 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 14.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1091 E1092 R1093 | M1091-G1095 PolarHBondContact O-N 3.41Å; E1092-G1095 PolarHBondContact O-N 3.3Å; E1092-G1095 VanDerWaalsContact O-N 3.11Å; R1093-G1095 PolarHBondContact O-N 3.04Å |
| 1096 | I | 59.5 | Low | 59.6 | Low | 28 Ų | 28 | 81.1 Ų | 81.1 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | trans | -92 | 106.5 | -179.3 | -52.4 | 156.2 | 0 | 0 | 0 | 108.2 | I1055 M1091 L1094 S1098 | I1055-I1096 HydrophobicContact CB-CD1 4.44Å; I1055-I1096 HydrophobicContact CD1-CD1 4.26Å; I1055-I1096 HydrophobicContact CD1-CG1 4.31Å; I1055-I1096 HydrophobicContact CG1-CD1 3.94Å; I1055-I1096 HydrophobicContact CG2-CD1 4.05Å; M1091-I1096 HydrophobicContact CB-CB 4.25Å; M1091-I1096 HydrophobicContact CB-CD1 4.29Å; M1091-I1096 HydrophobicContact CE-CB 4.41Å; M1091-I1096 HydrophobicContact CE-CD1 4.44Å; M1091-I1096 HydrophobicContact CE-CG2 3.75Å; M1091-I1096 HydrophobicContact CG-CD1 4.28Å; M1091-I1096 WeakPolarHBondContact O-CB 3.29Å; M1091-I1096 PolarHBondContact O-N 2.87Å; L1094-I1096 VanDerWaalsContact C-N 3.32Å; L1094-I1096 HydrophobicContact CB-CD1 3.92Å; L1094-I1096 HydrophobicContact CB-CG1 4.3Å; L1094-I1096 PolarHBondContact O-N 3.42Å; I1096-S1098 PolarHBondContact O-N 3.34Å | ||
| 1097 | D | 57.3 | Low | 57.2 | Low | 82 Ų | 82 | 79.4 Ų | 79.4 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | trans | -63.5 | 104.6 | -178.5 | -174.8 | 0.3 | 0 | 0 | 0 | 111.5 | K1099 K1100 | D1097-K1099 PolarHBondContact O-N 3.07Å; D1097-K1099 PolarHBondContact OD1-N 3.24Å; D1097-K1100 PolarHBondContact O-N 2.82Å | ||
| 1098 | S | 52.6 | Low | 54.8 | Low | 27 Ų | 27 | 87.1 Ų | 87.1 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22 | -175.2 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | E1092 I1096 | E1092-S1098 WeakPolarHBondContact OE1-CB 3.42Å; E1092-S1098 PolarHBondContact OE1-OG 3.32Å; I1096-S1098 PolarHBondContact O-N 3.34Å |
| 1099 | K | 51.3 | Low | 52.2 | Low | 152 Ų | 152 | 92 Ų | 92 | 66% | 0.661 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -74.8 | -35.3 | -176.5 | -65.9 | 168.2 | -175.8 | 168.2 | 0 | 113.1 | D1097 L1101 N1102 | D1097-K1099 PolarHBondContact O-N 3.07Å; D1097-K1099 PolarHBondContact OD1-N 3.24Å; K1099-L1101 PolarHBondContact O-N 3.24Å; K1099-N1102 PolarHBondContact O-N 2.87Å |
| 1100 | K | 50.4 | Low | 49.5 | Very low | 139 Ų | 139 | 91.2 Ų | 91.2 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.7 | -20.5 | -177.3 | -69.5 | -174 | 177.8 | -179.1 | 0 | 114 | D1097 | D1097-K1100 PolarHBondContact O-N 2.82Å |
| 1101 | L | 44.5 | Very low | 47.2 | Very low | 27 Ų | 27 | 95.3 Ų | 95.3 | 14% | 0.141 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -73.8 | -33.9 | 176.1 | -94.7 | 149.5 | 0 | 0 | 0 | 112.9 | K1059 L1062 M1091 K1099 S1104 | K1059-L1101 HydrophobicContact CD-CD2 4.36Å; K1059-L1101 HydrophobicContact CG-CD1 4.25Å; K1059-L1101 HydrophobicContact CG-CD2 4.09Å; L1062-L1101 HydrophobicContact CD2-CD1 4.35Å; M1091-L1101 HydrophobicContact CE-CD1 3.65Å; K1099-L1101 PolarHBondContact O-N 3.24Å; L1101-S1104 PolarHBondContact O-OG 3.27Å |
| 1102 | N | 41.6 | Very low | 45.1 | Very low | 82 Ų | 82 | 102.9 Ų | 102.9 | 44% | 0.439 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.1 | -34.9 | 176.5 | -74 | -15.5 | 0 | 0 | 0 | 111.8 | K1099 S1104 I1105 I1106 | K1099-N1102 PolarHBondContact O-N 2.87Å; N1102-S1104 VanDerWaalsContact C-N 3.29Å; N1102-S1104 PolarHBondContact O-N 3.17Å; N1102-I1105 PolarHBondContact O-N 2.95Å; N1102-I1105 VanDerWaalsContact O-N 3.07Å; N1102-I1106 HydrophobicContact CB-CD1 4.41Å; N1102-I1106 WeakPolarHBondContact O-CG1 3.36Å; N1102-I1106 PolarHBondContact O-N 3.39Å; N1102-I1106 VanDerWaalsContact O-N 3.12Å |
| 1103 | E | 37.7 | Very low | 42.8 | Very low | 132 Ų | 132 | 106.7 Ų | 106.7 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.6 | -39.2 | 178.7 | -65.6 | -179.5 | 143.7 | 0 | 0 | 111.7 | I1105 I1106 S1107 | E1103-I1105 VanDerWaalsContact C-N 3.27Å; E1103-I1105 PolarHBondContact O-N 3.46Å; E1103-I1106 PolarHBondContact O-N 3.46Å; E1103-S1107 PolarHBondContact O-N 3.11Å; E1103-S1107 PolarHBondContact O-OG 3.45Å |
| 1104 | S | 32.4 | Very low | 41 | Very low | 72 Ų | 72 | 106.7 Ų | 106.7 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.2 | -12.7 | 175.6 | 44.3 | 0 | 0 | 0 | 0 | 115.9 | L1101 N1102 | L1101-S1104 PolarHBondContact O-OG 3.27Å; N1102-S1104 VanDerWaalsContact C-N 3.29Å; N1102-S1104 PolarHBondContact O-N 3.17Å |
| 1105 | I | 35.6 | Very low | 39.1 | Very low | 89 Ų | 89 | 110 Ų | 110 | 46% | 0.456 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -101.3 | -25.3 | 178.6 | -63.8 | 173.8 | 0 | 0 | 0 | 111.1 | N1102 E1103 | N1102-I1105 PolarHBondContact O-N 2.95Å; N1102-I1105 VanDerWaalsContact O-N 3.07Å; E1103-I1105 VanDerWaalsContact C-N 3.27Å; E1103-I1105 PolarHBondContact O-N 3.46Å |
| 1106 | I | 32 | Very low | 37.4 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 65% | 0.651 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -83.3 | -23.3 | -179.5 | -66.6 | 167.3 | 0 | 0 | 0 | 111.6 | N1102 E1103 E1108 | N1102-I1106 HydrophobicContact CB-CD1 4.41Å; N1102-I1106 WeakPolarHBondContact O-CG1 3.36Å; N1102-I1106 PolarHBondContact O-N 3.39Å; N1102-I1106 VanDerWaalsContact O-N 3.12Å; E1103-I1106 PolarHBondContact O-N 3.46Å; I1106-E1108 VanDerWaalsContact C-N 3.33Å; I1106-E1108 PolarHBondContact O-N 3.33Å |
| 1107 | S | 31.8 | Very low | 35.9 | Very low | 89 Ų | 89 | 116.7 Ų | 116.7 | 62% | 0.622 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -16 | -177.1 | 51.6 | 0 | 0 | 0 | 0 | 116.3 | E1103 | E1103-S1107 PolarHBondContact O-N 3.11Å; E1103-S1107 PolarHBondContact O-OG 3.45Å |
| 1108 | E | 31.3 | Very low | 34.5 | Very low | 172 Ų | 172 | 118.6 Ų | 118.6 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -13 | -177.3 | -66.5 | -164.6 | 141.7 | 0 | 0 | 114.8 | I1106 | I1106-E1108 VanDerWaalsContact C-N 3.33Å; I1106-E1108 PolarHBondContact O-N 3.33Å |
| 1109 | N | 28 | Very low | 33.3 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | -105.7 | 59.2 | 178.5 | -77.6 | -71.8 | 0 | 0 | 0 | 111.9 | ||||
| 1110 | G | 25.1 | Very low | 32.3 | Very low | 64 Ų | 64 | 124.6 Ų | 124.6 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | trans | -100 | 21.3 | -173 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1111 | N | 26.6 | Very low | 31.3 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | trans | -146.5 | 91.6 | 176.2 | -83.1 | -47.9 | 0 | 0 | 0 | 111.2 | ||||
| 1112 | D | 31.2 | Very low | 30.5 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | -169.1 | 150.5 | 105 | -116.8 | -32 | 0 | 0 | 0 | 114.6 | |||||
| 1113 | K | 28.1 | Very low | 29.9 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | trans | -81.4 | 140.1 | -174.2 | -58.6 | 155 | 172.8 | 162.9 | 0 | 112.2 | ||||
| 1114 | I | 32.7 | Very low | 29.5 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | 173.6 | 154.5 | 110.5 | -91 | 154 | 0 | 0 | 0 | 113.1 | |||||
| 1115 | N | 26.8 | Very low | 29.4 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | -74.2 | 175.5 | -167.9 | -68.9 | -33.1 | 0 | 0 | 0 | 117.5 | ||||
| 1116 | T | 28.9 | Very low | 29 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 88.3 | 101.4 | 142.6 | 28.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1117 | S | 27.5 | Very low | 28.9 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | 53.1 | 119.1 | 117.7 | -50.6 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1118 | P | 29.5 | Very low | 28.6 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -95.7 | 144.4 | 172.3 | 37 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 1119 | L | 25.8 | Very low | 28.3 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 168.6 | 139.2 | 158.4 | -92.6 | 154.2 | 0 | 0 | 0 | 104.7 | ||||
| 1120 | H | 31.1 | Very low | 28.4 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | -144.7 | -176.6 | 35.1 | -115 | -67.2 | 0 | 0 | 0 | 112.8 | ||||
| 1121 | D | 29.3 | Very low | 28.5 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | -76.6 | 165.4 | -174.8 | -34.5 | -93.3 | 0 | 0 | 0 | 114 | ||||
| 1122 | D | 28.2 | Very low | 28.5 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | 33.9 | 136.9 | 142.8 | -48.3 | -20.6 | 0 | 0 | 0 | 119.7 | ||||
| 1123 | D | 29.6 | Very low | 28.5 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | cis | -164.7 | 159.9 | 46.2 | -138.6 | -17.5 | 0 | 0 | 0 | 115.8 | ||||
| 1124 | D | 29 | Very low | 28.4 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 41.5 | 133.3 | 151.4 | -121.8 | -12.8 | 0 | 0 | 0 | 127.9 | ||||
| 1125 | S | 30.3 | Very low | 28.3 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 94.1 | 94.5 | 130.8 | 74.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1126 | N | 26.5 | Very low | 28.2 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | 40.5 | 117.9 | 121.6 | -62.2 | -44.6 | 0 | 0 | 0 | 123.2 | |||||
| 1127 | H | 28.9 | Very low | 28.2 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | 173.8 | 157.7 | 119 | -93.6 | -46.9 | 0 | 0 | 0 | 111 | |||||
| 1128 | T | 26.6 | Very low | 28.2 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 61% | 0.613 | 74% | 0.744 | S | S | * | * | cis | -176.5 | 123.9 | -31.6 | -108.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1129 | I | 25.3 | Very low | 27.9 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | 68.4 | 140.7 | 154.5 | -54.3 | 169.3 | 0 | 0 | 0 | 120.6 | ||||
| 1130 | M | 29.1 | Very low | 28 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | 108.2 | 139.5 | 159.3 | -62.9 | -54.8 | -178.9 | 0 | 0 | 117.6 | ||||
| 1131 | N | 26.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | cis | -169 | 159.4 | -46.7 | -126 | 36.1 | 0 | 0 | 0 | 110.4 | ||||
| 1132 | N | 28.3 | Very low | 27.4 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 64.4 | 149.3 | 166.7 | -63.1 | 36.7 | 0 | 0 | 0 | 116.3 | ||||
| 1133 | E | 29.6 | Very low | 27.2 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | cis | -160.1 | 164.6 | -12.6 | -110.4 | 168.4 | -56.5 | 0 | 0 | 107.4 | ||||
| 1134 | G | 27.7 | Very low | 26.9 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | cis | 142.3 | 108.4 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1135 | I | 29.7 | Very low | 26.7 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | -136.4 | 150.9 | 173.8 | -97.1 | 162.7 | 0 | 0 | 0 | 111.5 | ||||
| 1136 | Q | 24.3 | Very low | 26.4 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -71.5 | 147.4 | -163.1 | -57.5 | 147.5 | -11.7 | 0 | 0 | 116.1 | ||||
| 1137 | Q | 29.2 | Very low | 26.2 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -178.1 | 101.8 | 131.2 | -100.2 | 166.4 | 23.7 | 0 | 0 | 108.3 | ||||
| 1138 | S | 27.2 | Very low | 26.1 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | 89.7 | 116.8 | 85.8 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1139 | Q | 23.5 | Very low | 26 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -70 | 171.2 | 169.4 | -65.2 | -178.7 | -14.9 | 0 | 0 | 111.4 | T1141 | Q1139-T1141 PolarHBondContact OE1-OG1 3.36Å; Q1139-T1141 VanDerWaalsContact OE1-OG1 3.05Å | ||
| 1140 | P | 27.4 | Very low | 26.1 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | -125.4 | 161.1 | 108.8 | 36.4 | -33.9 | 0 | 0 | 0 | 114.3 | |||||
| 1141 | T | 23.6 | Very low | 26.1 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 59% | 0.589 | 75% | 0.745 | S | S | * | * | trans | -129.2 | 145.4 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 108.6 | Q1139 | Q1139-T1141 PolarHBondContact OE1-OG1 3.36Å; Q1139-T1141 VanDerWaalsContact OE1-OG1 3.05Å | ||
| 1142 | L | 24 | Very low | 26.1 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | 64 | 142.5 | 179.2 | -66.3 | 144.9 | 0 | 0 | 0 | 113.9 | ||||
| 1143 | L | 24.6 | Very low | 26.1 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | cis | -145.7 | -171.8 | 49.6 | -116.4 | 103.6 | 0 | 0 | 0 | 113.5 | ||||
| 1144 | G | 22.9 | Very low | 25.8 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -80.9 | 153.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1146 | G1144-A1146 PolarHBondContact O-N 3.47Å; G1144-A1146 VanDerWaalsContact O-N 3.11Å | ||
| 1145 | S | 24.3 | Very low | 25.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 71% | 0.714 | S | S | * | * | trans | -71.2 | 101.5 | 172.8 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1146 | A | 23.8 | Very low | 25.5 | Very low | 83 Ų | 83 | 126 Ų | 126 | 69% | 0.686 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 155.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G1144 | G1144-A1146 PolarHBondContact O-N 3.47Å; G1144-A1146 VanDerWaalsContact O-N 3.11Å |
| 1147 | R | 23.6 | Very low | 25.6 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 121.2 | -179.8 | -68.2 | 174 | 174 | 175.9 | -5.3 | 110.5 | H189 | H189-R1147 PolarHBondContact CD2-NH1 3.12Å; H189-R1147 VanDerWaalsContact CD2-NH1 3.3Å; H189-R1147 PolarHBondContact CD2-NH2 3.41Å; H189-R1147 PolarHBondContact NE2-NH1 3.35Å; H189-R1147 PolarHBondContact NE2-NH2 3.27Å; H189-R1147 VanDerWaalsContact NE2-NH2 3.13Å |
| 1148 | V | 27.2 | Very low | 25.4 | Very low | 119 Ų | 119 | 125 Ų | 125 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 121.9 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | F1150 | V1148-F1150 HydrophobicContact CG1-CD2 3.65Å; V1148-F1150 HydrophobicContact CG1-CE2 4.38Å |
| 1149 | N | 23.4 | Very low | 25.2 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | -102.5 | 73.9 | -178.5 | -90.2 | -32.1 | 0 | 0 | 0 | 111.6 | ||||
| 1150 | F | 28.6 | Very low | 25.4 | Very low | 116 Ų | 116 | 129 Ų | 129 | 51% | 0.509 | 71% | 0.713 | S | S | . | * | trans | -122 | 104.8 | 174.3 | -80.1 | -68.2 | 0 | 0 | 0 | 114.8 | E892 V1148 | E892-F1150 VanDerWaalsContact OE2-CZ 3.31Å; E892-F1150 WeakPolarHBondContact OE2-CZ 3.44Å; V1148-F1150 HydrophobicContact CG1-CD2 3.65Å; V1148-F1150 HydrophobicContact CG1-CE2 4.38Å | ||
| 1151 | H | 27.4 | Very low | 25.2 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | trans | -135.7 | 76 | 157.4 | -93.1 | -53.7 | 0 | 0 | 0 | 109.8 | L220 | L220-H1151 HydrophobicContact CD2-CB 4.49Š| ||
| 1152 | L | 27.1 | Very low | 25.3 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | trans | -106.5 | 2.9 | 171.6 | -142.5 | 78 | 0 | 0 | 0 | 114.1 | ||||
| 1153 | V | 28 | Very low | 25.3 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 42% | 0.418 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -126.2 | 72.5 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 110 | L956 | L956-V1153 HydrophobicContact CD1-CG1 4.43Š|
| 1154 | N | 24.8 | Very low | 25.5 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | trans | -155.4 | 72.4 | 161.3 | -110.2 | 0.8 | 0 | 0 | 0 | 110 | ||||
| 1155 | S | 24.5 | Very low | 25.7 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 51% | 0.51 | 72% | 0.721 | S | S | . | * | trans | -90.9 | 125.1 | 167.2 | -66.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1156 | S | 26.2 | Very low | 25.8 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 58.6 | 64.9 | 169.3 | 63 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1157 | E | 25.7 | Very low | 25.9 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -132.6 | 80.8 | 149 | -78.7 | -158.7 | 157.5 | 0 | 0 | 110.6 | ||||
| 1158 | H | 25.2 | Very low | 26.1 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -139.8 | 49.4 | 177.2 | -109.1 | -20.5 | 0 | 0 | 0 | 114.7 | ||||
| 1159 | H | 23.8 | Very low | 26 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | -139.5 | 99.4 | 155.5 | -97.6 | -67.2 | 0 | 0 | 0 | 111.1 | ||||
| 1160 | I | 26.7 | Very low | 26.1 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | 177.5 | 108.5 | 140 | -89.8 | 150.5 | 0 | 0 | 0 | 106.6 | ||||
| 1161 | I | 24.7 | Very low | 25.9 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | -124.1 | 97.6 | 160.3 | -61.8 | 178 | 0 | 0 | 0 | 106.1 | ||||
| 1162 | E | 24.8 | Very low | 25.7 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | trans | -173 | 148.9 | 134.4 | -108.2 | -166.3 | 163.3 | 0 | 0 | 112.3 | ||||
| 1163 | K | 24.7 | Very low | 25.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | 55 | 96.9 | 153.3 | -65.8 | 159.8 | -176.2 | 149.9 | 0 | 118.1 | ||||
| 1164 | N | 28.9 | Very low | 25.5 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | -150.5 | 135.6 | 112.2 | -101.7 | -29.7 | 0 | 0 | 0 | 111.9 | |||||
| 1165 | Q | 26.1 | Very low | 25.7 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | -136.6 | 136.2 | 171.5 | -73.6 | -172.6 | 2.8 | 0 | 0 | 109.3 | ||||
| 1166 | G | 25.9 | Very low | 25.6 | Very low | 66 Ų | 66 | 147.3 Ų | 147.3 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 81.9 | 121.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1167 | N | 27.2 | Very low | 25.7 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | cis | -159.6 | 127.7 | 39.7 | -72.9 | -37.3 | 0 | 0 | 0 | 111.6 | ||||
| 1168 | A | 26.3 | Very low | 25.7 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -160.8 | 98.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1169 | T | 27 | Very low | 25.8 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -59.5 | 131.1 | -174.7 | -55.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1170 | M | 24.4 | Very low | 26 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | 8.2 | 138.6 | 151.4 | -47.8 | -146 | -54.8 | 0 | 0 | 121.7 | F1172 | M1170-F1172 HydrophobicContact CE-CD2 4.21Å; M1170-F1172 HydrophobicContact CE-CE2 3.9Å; M1170-F1172 HydrophobicContact SD-CD2 4.2Å; M1170-F1172 HydrophobicContact SD-CE2 3.76Å | ||
| 1171 | I | 25.7 | Very low | 25.9 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | -132.8 | 145.5 | 120.4 | -68 | -169.2 | 0 | 0 | 0 | 108.6 | |||||
| 1172 | F | 22.8 | Very low | 26.1 | Very low | 137 Ų | 137 | 144 Ų | 144 | 60% | 0.601 | 80% | 0.797 | S | S | * | * | trans | -79.8 | 150.4 | 177.2 | -94.6 | -130.8 | 0 | 0 | 0 | 113 | M1170 Q1174 | M1170-F1172 HydrophobicContact CE-CD2 4.21Å; M1170-F1172 HydrophobicContact CE-CE2 3.9Å; M1170-F1172 HydrophobicContact SD-CD2 4.2Å; M1170-F1172 HydrophobicContact SD-CE2 3.76Å; F1172-Q1174 HydrophobicContact CD1-CG 4Å; F1172-Q1174 HydrophobicContact CE1-CG 4.26Å | ||
| 1173 | S | 25.9 | Very low | 26.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -141.4 | 125.7 | 131.9 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1174 | Q | 23.8 | Very low | 26.2 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -98.5 | 138.5 | 169.9 | -74.6 | 173.7 | -22 | 0 | 0 | 108.4 | F1172 | F1172-Q1174 HydrophobicContact CD1-CG 4Å; F1172-Q1174 HydrophobicContact CE1-CG 4.26Å | ||
| 1175 | S | 28.6 | Very low | 26.4 | Very low | 121 Ų | 121 | 138 Ų | 138 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -137.2 | 95.4 | 164 | -78.2 | 0 | 0 | 0 | 0 | 109.3 | R1177 | S1175-R1177 PolarHBondContact O-N 3.07Š| ||
| 1176 | N | 23.7 | Very low | 26.5 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -69.2 | 125.5 | 170.9 | -74.2 | -33.2 | 0 | 0 | 0 | 109.9 | ||||
| 1177 | R | 28.7 | Very low | 26.5 | Very low | 239 Ų | 239 | 139.5 Ų | 139.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -130.1 | 92.5 | 150.4 | -84.2 | -163.5 | 170.6 | -170.9 | -2.3 | 110.8 | S1175 | S1175-R1177 PolarHBondContact O-N 3.07Š| ||
| 1178 | T | 23.9 | Very low | 26.6 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -6.6 | 118.9 | 145.3 | 49.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1179 | M | 29 | Very low | 26.8 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -114.8 | 106.4 | 149.4 | -82.9 | -73.9 | 102 | 0 | 0 | 107.8 | ||||
| 1180 | T | 28 | Very low | 26.9 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -82.2 | 122.6 | 176.9 | 43.4 | 0 | 0 | 0 | 0 | 109.9 | V1182 | T1180-V1182 PolarHBondContact O-N 2.63Š| ||
| 1181 | A | 23.9 | Very low | 27.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | -73.8 | 120.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1182 | V | 28.9 | Very low | 27.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -136.4 | 126.4 | 158.1 | -179.4 | 0 | 0 | 0 | 0 | 106.2 | T1180 | T1180-V1182 PolarHBondContact O-N 2.63Š| ||
| 1183 | G | 25.5 | Very low | 27.6 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -118.5 | 161.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1184 | N | 26.3 | Very low | 27.8 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -159.2 | 158.8 | 141.8 | -105.8 | -16.9 | 0 | 0 | 0 | 111.1 | ||||
| 1185 | P | 32.4 | Very low | 27.8 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -107.5 | -157.7 | -169 | 42.2 | -35 | 0 | 0 | 0 | 113.7 | ||||
| 1186 | L | 28.1 | Very low | 27.9 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 92.1 | 122.9 | -169.9 | -70.2 | 96.6 | 0 | 0 | 0 | 112.9 | ||||
| 1187 | L | 27.3 | Very low | 27.9 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 70 | 133.4 | 58.8 | -66.7 | 167.2 | 0 | 0 | 0 | 111.4 | |||||
| 1188 | D | 27.9 | Very low | 27.9 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 56% | 0.561 | 76% | 0.76 | S | S | * | * | cis | -160.3 | 160.8 | 22.9 | -158 | -4.6 | 0 | 0 | 0 | 112.9 | ||||
| 1189 | K | 30.9 | Very low | 27.9 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | 59.9 | 156.8 | 159.6 | -77.7 | 143.9 | -171.3 | 149.6 | 0 | 121.1 | ||||
| 1190 | S | 28.4 | Very low | 28.1 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | cis | -179.5 | 135.6 | -27.5 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1191 | S | 31 | Very low | 28.4 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | 175.5 | 144.2 | 135.8 | 56 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1192 | H | 28.3 | Very low | 28.8 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -15.6 | 159 | 157.4 | -49.9 | -78.3 | 0 | 0 | 0 | 118.9 | ||||
| 1193 | Q | 28.3 | Very low | 29 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | cis | -161.7 | 173.3 | 28.6 | -149.2 | 158.8 | -4.5 | 0 | 0 | 112.8 | ||||
| 1194 | N | 30.5 | Very low | 29.4 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 69.6 | 124.5 | 176.2 | -52.7 | -13.9 | 0 | 0 | 0 | 114.6 | ||||
| 1195 | L | 25.1 | Very low | 29.7 | Very low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | cis | 71.8 | 96.7 | 37.9 | -164.9 | 79.9 | 0 | 0 | 0 | 113.2 | ||||
| 1196 | L | 29.4 | Very low | 29.8 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -150.6 | 121.4 | 133.6 | -107.2 | 172.4 | 0 | 0 | 0 | 107.3 | F1198 | L1196-F1198 HydrophobicContact CD1-CE2 4.26Å; L1196-F1198 HydrophobicContact CD2-CD2 4.48Å; L1196-F1198 HydrophobicContact CD2-CE2 3.8Å; L1196-F1198 HydrophobicContact CD2-CZ 4.03Å; L1196-F1198 HydrophobicContact CG-CE2 4.43Å | ||
| 1197 | D | 23.7 | Very low | 30 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | -100.3 | 152.8 | 172.2 | -153.5 | -15.4 | 0 | 0 | 0 | 107.8 | ||||
| 1198 | F | 29.4 | Very low | 30.3 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 77% | 0.772 | 76% | 0.756 | S | S | * | * | trans | -152.7 | 87.6 | 175.8 | -85.9 | -62.6 | 0 | 0 | 0 | 110.6 | L1196 | L1196-F1198 HydrophobicContact CD1-CE2 4.26Å; L1196-F1198 HydrophobicContact CD2-CD2 4.48Å; L1196-F1198 HydrophobicContact CD2-CE2 3.8Å; L1196-F1198 HydrophobicContact CD2-CZ 4.03Å; L1196-F1198 HydrophobicContact CG-CE2 4.43Å | ||
| 1199 | S | 24.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -137.5 | 101.9 | 162.1 | 62.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1200 | D | 32 | Very low | 30.6 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -157.2 | 141.3 | 174.3 | -71.2 | -39.7 | 0 | 0 | 0 | 103.8 | ||||
| 1201 | D | 33.8 | Very low | 30.8 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | cis | -138.1 | 156.5 | 1.8 | -79.2 | -50.3 | 0 | 0 | 0 | 111.9 | ||||
| 1202 | D | 31.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 18.7 | 138.5 | 148.6 | -64 | -18.8 | 0 | 0 | 0 | 124 | ||||
| 1203 | D | 34.5 | Very low | 31.2 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | -159.7 | 124.9 | 114.1 | -121.6 | -16.9 | 0 | 0 | 0 | 112.9 | |||||
| 1204 | E | 34 | Very low | 31.6 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | 47.9 | 119.3 | 163.1 | -64.8 | -99.4 | 103.6 | 0 | 0 | 122 | ||||
| 1205 | E | 32.6 | Very low | 31.7 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -90.6 | 138.1 | 163.1 | -69.1 | -177.1 | 124.8 | 0 | 0 | 112.8 | K1207 | E1205-K1207 IonicContact OE2-NZ 2.78Å; E1205-K1207 PolarHBondContact OE2-NZ 3.01Å | ||
| 1206 | E | 32.9 | Very low | 32.2 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -96.1 | 97.5 | 160.7 | -167 | 175.7 | -137.9 | 0 | 0 | 110.5 | ||||
| 1207 | K | 32.7 | Very low | 32.5 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 59% | 0.591 | 77% | 0.773 | S | S | * | * | trans | -79.7 | 139.7 | 179.4 | -83 | -167.7 | 171.2 | 79.9 | 0 | 113.4 | E1205 | E1205-K1207 IonicContact OE2-NZ 2.78Å; E1205-K1207 PolarHBondContact OE2-NZ 3.01Å | ||
| 1208 | V | 35 | Very low | 33.2 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -127 | 96.9 | 158.7 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1209 | D | 28.9 | Very low | 33.3 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -81.5 | 145.3 | 175.7 | -94.9 | -55 | 0 | 0 | 0 | 112.6 | ||||
| 1210 | C | 35 | Very low | 33.6 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -162.6 | 99.8 | 158.7 | -106.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1211 | D | 33.2 | Very low | 33.4 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 57.5 | 101.9 | 153.9 | -61.1 | -21.1 | 0 | 0 | 0 | 122.2 | ||||
| 1212 | L | 33.2 | Very low | 33.2 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | 38.6 | 135.8 | 102.3 | -56 | 170.8 | 0 | 0 | 0 | 117.7 | |||||
| 1213 | T | 34.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -163.2 | 170.3 | 14.5 | 15.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1214 | P | 36.9 | Very low | 33.3 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -117.8 | 164.4 | -156.4 | 42.4 | -35.4 | 0 | 0 | 0 | 118.2 | ||||
| 1215 | T | 32.4 | Very low | 33 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | 177.4 | 154.8 | 144.7 | 18.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1216 | S | 35.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | cis | -152.6 | -175 | -1.6 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1217 | I | 34.6 | Very low | 32.8 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -134.4 | 156.8 | -156.4 | -77.8 | 165.1 | 0 | 0 | 0 | 108.5 | ||||
| 1218 | P | 39 | Very low | 32.6 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -143.2 | -144.4 | -32.9 | 42 | -20.1 | 0 | 0 | 0 | 113.4 | ||||
| 1219 | V | 31.4 | Very low | 32.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | 112.2 | 107.5 | 153.3 | -173.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1220 | S | 30.6 | Very low | 32.6 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | 56.9 | 108.7 | 142.1 | 83.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1221 | S | 28.1 | Very low | 32.7 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | 87.9 | 154.5 | 109.5 | 79.1 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1222 | T | 31.1 | Very low | 32.6 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 81.9 | 117.9 | 163.4 | 59 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1223 | N | 28.5 | Very low | 32.6 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 176.6 | 161.4 | -91.5 | -30.7 | 0 | 0 | 0 | 112.8 | ||||
| 1224 | P | 38.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -140 | 168.9 | -22.3 | 35 | -15.9 | 0 | 0 | 0 | 115.9 | ||||
| 1225 | S | 27.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 39.8 | 125.1 | 143.7 | 68.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1226 | S | 31.6 | Very low | 32.1 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -168.6 | 125.4 | 121.7 | 54.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1227 | K | 31 | Very low | 31.9 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 32.9 | 119.1 | 145 | -66.5 | 177.1 | -179.1 | 172.6 | 0 | 122.8 | ||||
| 1228 | Q | 28.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 66.9 | 124.3 | 131.2 | -60.2 | -179.1 | 2.9 | 0 | 0 | 121.6 | ||||
| 1229 | I | 32.4 | Very low | 31.6 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | -171.8 | 166.1 | 115.4 | -94.9 | 157.6 | 0 | 0 | 0 | 110 | |||||
| 1230 | K | 31.3 | Very low | 31.8 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -125.2 | -174.8 | -173.7 | -68.2 | -178.4 | 175.9 | 177.8 | 0 | 109.9 | ||||
| 1231 | P | 37.4 | Very low | 31.9 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | -136 | -170.5 | -58.9 | 38.9 | -21.9 | 0 | 0 | 0 | 113.7 | |||||
| 1232 | K | 31.6 | Very low | 32 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 78.1 | 150.7 | 163 | -61.2 | 167.4 | -178.9 | 176.2 | 0 | 116.4 | ||||
| 1233 | K | 32 | Very low | 32 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 73% | 0.726 | 78% | 0.778 | S | S | * | * | cis | -164.1 | 159.1 | -13.3 | -120.6 | -172.4 | 169.9 | -165.8 | 0 | 111 | ||||
| 1234 | N | 30.3 | Very low | 32.1 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | trans | 68.7 | 140.3 | 150.1 | -74.2 | 27.5 | 0 | 0 | 0 | 118.1 | ||||
| 1235 | T | 31.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | cis | -162.7 | 167.7 | -2.9 | 4.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1236 | A | 32.4 | Very low | 31.8 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 76.6 | 158.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1237 | T | 31.2 | Very low | 31.5 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | cis | -169.1 | 171.2 | -27.9 | -80.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1238 | V | 32.2 | Very low | 31.5 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 83.3 | 130.8 | 173 | -175.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1239 | V | 33.4 | Very low | 31.3 | Very low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | cis | -155.7 | 144.9 | -18.5 | 125 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1240 | T | 37.6 | Very low | 31.3 | Very low | 146 Ų | 146 | 146 Ų | 146 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | -161.1 | 154.3 | 141.3 | -3.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1241 | R | 31.4 | Very low | 31.1 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -104.3 | 128.2 | -179.1 | -98.4 | 173 | 162.8 | 157.5 | -7.1 | 111.6 | ||||
| 1242 | Q | 30.2 | Very low | 30.7 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | 33.4 | 125 | 120.4 | -64.5 | 178.4 | -43.3 | 0 | 0 | 120 | |||||
| 1243 | K | 32.2 | Very low | 30.8 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | -131.6 | 139.1 | 119.1 | -106.5 | -178.3 | 178.3 | 178 | 0 | 109.2 | |||||
| 1244 | N | 29.6 | Very low | 30.6 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -101.5 | 149.3 | 178.5 | -57.3 | -21.8 | 0 | 0 | 0 | 110.3 | ||||
| 1245 | V | 32.3 | Very low | 30.5 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -138.1 | 144.9 | 131.6 | -179 | 0 | 0 | 0 | 0 | 107 | ||||
| 1246 | N | 26.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -148.7 | 151 | 175.3 | -161.6 | 23.7 | 0 | 0 | 0 | 110.5 | ||||
| 1247 | N | 26.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | trans | 59.5 | 110.2 | 169.1 | -62.7 | -13.3 | 0 | 0 | 0 | 120.1 | ||||
| 1248 | N | 29.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | -174.9 | 132.6 | 121.7 | -87.4 | -17.6 | 0 | 0 | 0 | 107.3 | |||||
| 1249 | S | 25.7 | Very low | 30.2 | Very low | 103 Ų | 103 | 159.2 Ų | 159.2 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | cis | 96.3 | 45.8 | 19 | 91.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1250 | Q | 30.7 | Very low | 30 | Very low | 191 Ų | 191 | 156.9 Ų | 156.9 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -135.1 | 129.7 | 153.7 | -80.9 | 166.8 | -39 | 0 | 0 | 106.1 | ||||
| 1251 | K | 27.5 | Very low | 29.7 | Very low | 195 Ų | 195 | 159.7 Ų | 159.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | cis | 70.5 | 135.3 | 32.8 | -78.5 | -166.7 | 173.5 | -176.9 | 0 | 116.1 | ||||
| 1252 | N | 28.7 | Very low | 29.6 | Very low | 153 Ų | 153 | 155.9 Ų | 155.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 84.7 | 146.1 | 171.3 | -74 | 18.8 | 0 | 0 | 0 | 117.4 | ||||
| 1253 | P | 34.5 | Very low | 29.6 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | -136.5 | 176.9 | -119.4 | 43.2 | -27.8 | 0 | 0 | 0 | 116.8 | H1255 | P1253-H1255 PolarHBondContact O-N 3.3Š| |||
| 1254 | I | 26.9 | Very low | 29.3 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 119.2 | 169.7 | -59.8 | 164.3 | 0 | 0 | 0 | 110.6 | ||
| 1255 | H | 29.7 | Very low | 29.4 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 118.7 | 165.3 | -118.1 | -82.7 | 0 | 0 | 0 | 110.7 | P1253 | P1253-H1255 PolarHBondContact O-N 3.3Š|
| 1256 | K | 28.9 | Very low | 29.4 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 133.1 | 168.9 | -70 | 175.1 | 176.6 | 175.1 | 0 | 109.3 | ||
| 1257 | I | 31.6 | Very low | 29.5 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -91.4 | 113.8 | 163.7 | -62.3 | 175.6 | 0 | 0 | 0 | 107.4 | ||||
| 1258 | S | 30.4 | Very low | 29.7 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -98.5 | 140.7 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1259 | R | 30.5 | Very low | 29.7 | Very low | 255 Ų | 255 | 151 Ų | 151 | 96% | 0.962 | 80% | 0.801 | S | S | * | * | trans | -55.2 | 140.2 | 173.3 | -67.7 | 172.1 | 169.9 | 156 | -5.6 | 111.4 | ||||
| 1260 | G | 29.2 | Very low | 30 | Very low | 73 Ų | 73 | 153.2 Ų | 153.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -111 | 133.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1261 | K | 29.8 | Very low | 30 | Very low | 205 Ų | 205 | 151 Ų | 151 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -175.3 | 101 | 148.4 | -113.7 | -173 | 177.1 | -174.3 | 0 | 111 | ||||
| 1262 | V | 30 | Very low | 30.2 | Very low | 140 Ų | 140 | 146 Ų | 146 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -144.7 | 96.8 | 155.8 | -173.7 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 1263 | V | 29.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 146 Ų | 146 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | 62.2 | 112 | 84.6 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1264 | L | 26.8 | Very low | 30.3 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -73.8 | 159.1 | 173.1 | -68.4 | 156.2 | 0 | 0 | 0 | 110.5 | ||||
| 1265 | Q | 31 | Very low | 30.5 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -144.1 | 137.6 | 143.6 | -121.5 | 169.6 | -3.3 | 0 | 0 | 110.9 | ||||
| 1266 | S | 31.8 | Very low | 30.6 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -77 | 168.4 | 175 | 28.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1267 | S | 28.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | -165.6 | -154.5 | -20.2 | 49.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1268 | D | 31.2 | Very low | 30.6 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 76.9 | 131.4 | 161 | -59.8 | 14.3 | 0 | 0 | 0 | 116.8 | ||||
| 1269 | N | 30.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -157.7 | 171.4 | -11.1 | -149.1 | -13.8 | 0 | 0 | 0 | 112.8 | ||||
| 1270 | E | 30.7 | Very low | 30.5 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 68.2 | 112.8 | 157.7 | -61.1 | -153.2 | 154.4 | 0 | 0 | 122.3 | ||||
| 1271 | N | 30.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | 53.1 | 129 | 122.5 | -69.3 | -37.2 | 0 | 0 | 0 | 120.3 | |||||
| 1272 | S | 32.8 | Very low | 30.5 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -172.2 | 171.3 | 37.4 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1273 | N | 32.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 75.4 | 105.7 | 147.6 | -71.4 | -30.4 | 0 | 0 | 0 | 121.5 | ||||
| 1274 | S | 31.9 | Very low | 30.5 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | 114.8 | 100.8 | 104.2 | -167.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1275 | V | 32.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | 83.6 | 107.6 | 125.5 | 173 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1276 | K | 31 | Very low | 30.7 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 64 | 166.5 | 136.4 | -69 | -179.9 | -165 | 174.1 | 0 | 121.4 | ||||
| 1277 | S | 29.6 | Very low | 30.7 | Very low | 84 Ų | 84 | 139 Ų | 139 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | cis | -178.1 | 145.8 | -43.8 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1278 | H | 30.9 | Very low | 31.5 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | 74 | 159.3 | 151.6 | -73.1 | -57.1 | 0 | 0 | 0 | 122.3 | ||||
| 1279 | S | 30.8 | Very low | 31.5 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | 78 | 148.9 | 162.3 | 74.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1280 | T | 28.2 | Very low | 31.6 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | 170.7 | 137.1 | -60.1 | 39.2 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1281 | T | 28.4 | Very low | 31.6 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | 65 | 155.9 | 171.6 | 72.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1282 | N | 30.4 | Very low | 31.8 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | cis | -153 | 172.1 | 27.4 | -149.8 | -36.3 | 0 | 0 | 0 | 113.5 | ||||
| 1283 | S | 29.1 | Very low | 31.9 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | -65.4 | 156.8 | -178.1 | 62.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1284 | R | 31.5 | Very low | 32.1 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.936 | 76% | 0.756 | S | S | * | * | -168.4 | 147.8 | 127.8 | -108.8 | 166.3 | -177.1 | 175.7 | 2.2 | 113.8 | |||||
| 1285 | S | 29.3 | Very low | 32 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -93.9 | 155.6 | 173.3 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1286 | R | 32 | Very low | 32 | Very low | 253 Ų | 253 | 153.3 Ų | 153.3 | 96% | 0.955 | 77% | 0.774 | S | S | * | * | trans | -169.1 | 109.8 | 149.1 | -109.2 | 163 | -169 | -168.8 | 2.4 | 114 | ||||
| 1287 | N | 33.1 | Very low | 32 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -89.8 | -178.5 | 146.2 | -125.9 | -29.3 | 0 | 0 | 0 | 107 | ||||
| 1288 | P | 44.4 | Very low | 32.2 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 60% | 0.597 | 77% | 0.774 | S | S | * | * | cis | -138.1 | -151 | -12.1 | 28.5 | -1.8 | 0 | 0 | 0 | 112.2 | ||||
| 1289 | K | 32.3 | Very low | 32.2 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | trans | 87.2 | 146.1 | 155.3 | -68.6 | 171.5 | -175.1 | 175.7 | 0 | 118.2 | ||||
| 1290 | K | 31.3 | Very low | 32.3 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | cis | -173.3 | -173.9 | -24 | -131.7 | -174.3 | -174.1 | -172 | 0 | 109.3 | ||||
| 1291 | L | 32.2 | Very low | 32.4 | Very low | 152 Ų | 152 | 151.8 Ų | 151.8 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | 86.2 | 138.8 | 166 | -61.2 | 147.7 | 0 | 0 | 0 | 114.8 | ||||
| 1292 | K | 34.1 | Very low | 32.5 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | cis | -150.6 | 142.8 | 13.1 | -125.8 | 177.7 | -177 | 178.8 | 0 | 113.1 | ||||
| 1293 | H | 35.6 | Very low | 32.5 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 57 | 147.6 | 155.3 | -65.9 | -53.3 | 0 | 0 | 0 | 121.1 | ||||
| 1294 | S | 36 | Very low | 32.5 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | cis | -153.9 | 163 | -4.3 | -117.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1295 | Q | 29.2 | Very low | 33 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -109.2 | 147.9 | 176.7 | -63.1 | 141.2 | -74.4 | 0 | 0 | 111.7 | ||||
| 1296 | K | 32.9 | Very low | 33.1 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | 173.5 | 166.6 | 134.2 | -97.7 | 173.6 | 175.7 | -173.8 | 0 | 109.6 | ||||
| 1297 | K | 30.7 | Very low | 33.1 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | cis | 173 | 165.2 | -41.1 | -157.2 | -167.4 | 178.2 | -153.5 | 0 | 105.9 | ||||
| 1298 | I | 34 | Very low | 32.9 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | 81.4 | 141 | 162.4 | -55.7 | 157.4 | 0 | 0 | 0 | 114.7 | ||||
| 1299 | D | 29.8 | Very low | 32.4 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | cis | -169.3 | 179.7 | -37.3 | -87.9 | -34.9 | 0 | 0 | 0 | 107 | ||||
| 1300 | T | 33.9 | Very low | 32.3 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | 70.6 | 129.6 | 170.9 | 65.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1301 | S | 30.9 | Very low | 32.3 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | cis | 77.4 | 133.6 | 35.2 | 82.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1302 | S | 29.4 | Very low | 32.2 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -177.3 | -179.4 | -0.3 | 40 | 0 | 0 | 0 | 0 | 110 | ||||
| 1303 | S | 31.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 106.6 | 153.9 | 153.5 | 81.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1304 | S | 28.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -160.1 | 175.6 | 178.3 | 49.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1305 | P | 42.2 | Very low | 31.1 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | cis | -128.6 | -148.4 | -16.6 | 27.3 | -1.5 | 0 | 0 | 0 | 111.6 | ||||
| 1306 | T | 31 | Very low | 31 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | 75.8 | 148.9 | 161.3 | 68.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1307 | S | 31.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -166.3 | 170.2 | -12.9 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1308 | S | 30.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 150.5 | 166.9 | 76.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1309 | V | 32.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | cis | -124 | 163.4 | 28.8 | 173.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1310 | S | 30.2 | Very low | 30 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -68.7 | -178.5 | -175.4 | 59.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1311 | S | 32 | Very low | 29.9 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | -164.8 | 145.2 | 24.4 | 55.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1312 | S | 30.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 61.7 | 111.5 | 130.4 | -59 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1313 | R | 27.9 | Very low | 30 | Very low | 245 Ų | 245 | 137.3 Ų | 137.3 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | 49.8 | 126.2 | 117.1 | -89.5 | -175.8 | 173.9 | -177.4 | -1.7 | 123 | |||||
| 1314 | R | 28.1 | Very low | 30.1 | Very low | 230 Ų | 230 | 136.1 Ų | 136.1 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | 105.5 | 115.8 | 125.7 | -156 | -179.3 | -169 | -169.8 | 4.4 | 120.8 | |||||
| 1315 | S | 25.9 | Very low | 30.4 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 65.5 | 139.7 | 140.8 | -64.3 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1316 | T | 27.4 | Very low | 30.2 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | 80 | 119.9 | 135.8 | 44.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1317 | R | 26.2 | Very low | 30.6 | Very low | 219 Ų | 219 | 147.5 Ų | 147.5 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 78.9 | 112.9 | 130.3 | -78.4 | -174.6 | 165.5 | -174.5 | -2.7 | 122.4 | ||||
| 1318 | L | 26 | Very low | 30.9 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | 73.9 | 159.3 | 121.8 | -67.8 | 169.4 | 0 | 0 | 0 | 121.8 | |||||
| 1319 | S | 28.3 | Very low | 31 | Very low | 108 Ų | 108 | 156.3 Ų | 156.3 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 69.6 | 135.2 | 175.8 | 66.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1320 | S | 26.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | cis | 123.3 | 101.3 | -3.2 | 70 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1321 | A | 31.2 | Very low | 30.9 | Very low | 94 Ų | 94 | 160.6 Ų | 160.6 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | trans | -168 | 120.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1322 | Q | 28.9 | Very low | 30.9 | Very low | 189 Ų | 189 | 164.2 Ų | 164.2 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | 68 | 99.6 | 70.7 | -79.4 | -163.8 | -23.5 | 0 | 0 | 116.2 | |||||
| 1323 | K | 33.1 | Very low | 30.9 | Very low | 198 Ų | 198 | 167.7 Ų | 167.7 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | 175.9 | 119.1 | 131.5 | -94.9 | 160.3 | 179.7 | 178.6 | 0 | 107.8 | ||||
| 1324 | S | 33.4 | Very low | 31.1 | Very low | 96 Ų | 96 | 162.5 Ų | 162.5 | 67% | 0.671 | 82% | 0.819 | S | S | * | * | cis | 82 | 126.6 | 40.9 | 81.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1325 | D | 35.1 | Very low | 31.3 | Very low | 138 Ų | 138 | 157.7 Ų | 157.7 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | 67.9 | 134.6 | 168.6 | -74.3 | 20.9 | 0 | 0 | 0 | 116.8 | ||||
| 1326 | R | 39 | Very low | 31.7 | Very low | 214 Ų | 214 | 162.7 Ų | 162.7 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | cis | -164.6 | 146.5 | 30.5 | -130.6 | 166.2 | -155.2 | -167.8 | 2.7 | 113.2 | ||||
| 1327 | R | 37.9 | Very low | 32.1 | Very low | 234 Ų | 234 | 165.9 Ų | 165.9 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | 15.5 | 124.5 | 152.4 | -62.2 | 179 | -179.9 | 179.5 | -2.8 | 119 | ||||
| 1328 | I | 38.9 | Very low | 32.6 | Very low | 241 Ų | 241 | 161.1 Ų | 161.1 | 100% | 1.236 | 83% | 0.834 | S | S | * | * | -135.3 | 0 | 90.5 | -97.6 | 166.9 | 0 | 0 | 0 | 108.1 |
Retrieved 1,328 of 1,328 residues in 943.3 ms
(Link to these results)