| 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 | 37.4 | Very low | 35.5 | Very low | 243 Ų | 243 | 135.9 Ų | 135.9 | 100% | 1.197 | 71% | 0.707 | S | S | * | * | 0 | 116.2 | 0 | -69.7 | 168 | 173.7 | 0 | 0 | 106.8 | |||||
| 2 | V | 31.8 | Very low | 35 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -126.4 | 113.5 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | T | 37.3 | Very low | 34.7 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -92.3 | 96.8 | 176.4 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | S | 34.5 | Very low | 34.9 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | trans | -61.9 | 126.6 | -179.5 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | D6 | S4-D6 VanDerWaalsContact C-N 3.3Å; S4-D6 PolarHBondContact O-N 3.34Å | ||
| 5 | P | 43 | Very low | 35.1 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 57% | 0.571 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -25.3 | -179.5 | 27.9 | -33.8 | 0 | 0 | 0 | 113.3 | L7 L8 | P5-L7 PolarHBondContact O-N 3.4Å; P5-L8 PolarHBondContact O-N 2.95Å |
| 6 | D | 36.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 129 Ų | 129 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -48.9 | -36.3 | -177.1 | -55.5 | -96 | 0 | 0 | 0 | 114.1 | S4 L8 E9 R10 | S4-D6 VanDerWaalsContact C-N 3.3Å; S4-D6 PolarHBondContact O-N 3.34Å; D6-L8 PolarHBondContact O-N 3.5Å; D6-E9 PolarHBondContact O-N 2.87Å; D6-R10 WeakPolarHBondContact O-CB 3.22Å; D6-R10 PolarHBondContact O-N 3.05Å; D6-R10 VanDerWaalsContact O-N 3.1Å |
| 7 | L | 34.8 | Very low | 35.8 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72 | -13.3 | -176.9 | -107.6 | 170.3 | 0 | 0 | 0 | 113.8 | P5 K11 | P5-L7 PolarHBondContact O-N 3.4Å; L7-K11 WeakPolarHBondContact O-CB 3.43Å |
| 8 | L | 34.1 | Very low | 37.1 | Very low | 136 Ų | 136 | 124 Ų | 124 | 71% | 0.712 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -95.3 | -39.3 | 173.5 | -133 | 76.5 | 0 | 0 | 0 | 111.9 | P5 D6 K11 K12 | P5-L8 PolarHBondContact O-N 2.95Å; D6-L8 PolarHBondContact O-N 3.5Å; L8-K11 WeakPolarHBondContact O-CB 3.5Å; L8-K11 PolarHBondContact O-N 2.79Å; L8-K12 PolarHBondContact O-N 3.22Å |
| 9 | E | 32.7 | Very low | 39.2 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.5 | -47.1 | -178.1 | -65.4 | -176.4 | 134.9 | 0 | 0 | 111.2 | D6 K11 K12 E13 | D6-E9 PolarHBondContact O-N 2.87Å; E9-K11 PolarHBondContact O-N 2.89Å; E9-K12 PolarHBondContact O-N 3.32Å; E9-E13 PolarHBondContact O-N 2.96Å |
| 10 | R | 34.3 | Very low | 41.6 | Very low | 182 Ų | 182 | 117.3 Ų | 117.3 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.3 | -21.3 | 170.6 | -163.3 | -175.5 | -63.6 | -158.2 | -0.2 | 112.9 | D6 T14 | D6-R10 WeakPolarHBondContact O-CB 3.22Å; D6-R10 PolarHBondContact O-N 3.05Å; D6-R10 VanDerWaalsContact O-N 3.1Å; R10-T14 VanDerWaalsContact O-CG2 3.28Å; R10-T14 WeakPolarHBondContact O-CG2 3.42Å; R10-T14 PolarHBondContact O-OG1 3.09Å |
| 11 | K | 34.1 | Very low | 44.1 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -91.9 | -11.6 | 179 | -156.5 | 170.9 | -172.2 | 171.9 | 0 | 114 | L7 L8 E9 T14 | L7-K11 WeakPolarHBondContact O-CB 3.43Å; L8-K11 WeakPolarHBondContact O-CB 3.5Å; L8-K11 PolarHBondContact O-N 2.79Å; E9-K11 PolarHBondContact O-N 2.89Å; K11-T14 WeakPolarHBondContact CA-OG1 3.4Å; K11-T14 PolarHBondContact O-OG1 2.98Å |
| 12 | K | 30.2 | Very low | 46.8 | Very low | 129 Ų | 129 | 107.3 Ų | 107.3 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -90.9 | -49.5 | 176.7 | -167.5 | -178.4 | 173.5 | -167.6 | 0 | 111.1 | L8 E9 T14 N15 E16 | L8-K12 PolarHBondContact O-N 3.22Å; E9-K12 PolarHBondContact O-N 3.32Å; K12-T14 VanDerWaalsContact C-N 3.26Å; K12-T14 PolarHBondContact O-N 3.13Å; K12-N15 PolarHBondContact O-N 3.41Å; K12-E16 WeakPolarHBondContact CE-OE1 3.33Å; K12-E16 IonicContact NZ-OE1 3.61Å; K12-E16 PolarHBondContact O-N 2.85Å |
| 13 | E | 30.4 | Very low | 49.9 | Very low | 142 Ų | 142 | 102.6 Ų | 102.6 | 66% | 0.664 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.3 | -42.9 | 176.8 | -61.9 | 177.6 | 136 | 0 | 0 | 111.8 | E9 N15 G17 | E9-E13 PolarHBondContact O-N 2.96Å; E13-N15 PolarHBondContact O-N 3.43Å; E13-G17 PolarHBondContact O-N 3.16Å |
| 14 | T | 38.4 | Very low | 52.7 | Low | 69 Ų | 69 | 96.2 Ų | 96.2 | 42% | 0.423 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -0.4 | 179.5 | 45.7 | 0 | 0 | 0 | 0 | 114.9 | R10 K11 K12 R18 | R10-T14 VanDerWaalsContact O-CG2 3.28Å; R10-T14 WeakPolarHBondContact O-CG2 3.42Å; R10-T14 PolarHBondContact O-OG1 3.09Å; K11-T14 WeakPolarHBondContact CA-OG1 3.4Å; K11-T14 PolarHBondContact O-OG1 2.98Å; K12-T14 VanDerWaalsContact C-N 3.26Å; K12-T14 PolarHBondContact O-N 3.13Å; T14-R18 WeakPolarHBondContact O-CD 3.39Å; T14-R18 WeakPolarHBondContact O-CG 3.28Å; T14-R18 PolarHBondContact O-NE 3.23Å; T14-R18 PolarHBondContact O-NH2 3.07Å |
| 15 | N | 36.6 | Very low | 55.6 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -122.8 | -37.6 | 174.1 | -145.8 | 18 | 0 | 0 | 0 | 113.4 | K12 E13 G17 R18 | K12-N15 PolarHBondContact O-N 3.41Å; E13-N15 PolarHBondContact O-N 3.43Å; N15-G17 VanDerWaalsContact C-N 3.34Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.26Å |
| 16 | E | 35 | Very low | 58.1 | Low | 137 Ų | 137 | 95.5 Ų | 95.5 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 172.6 | -69.8 | 176.6 | -178.4 | 0 | 0 | 110.5 | K12 R18 | K12-E16 WeakPolarHBondContact CE-OE1 3.33Å; K12-E16 IonicContact NZ-OE1 3.61Å; K12-E16 PolarHBondContact O-N 2.85Å; E16-R18 PolarHBondContact O-N 3.31Å |
| 17 | G | 47.8 | Very low | 61.1 | Low | 47 Ų | 47 | 91.5 Ų | 91.5 | 49% | 0.485 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 18.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E13 N15 R78 | E13-G17 PolarHBondContact O-N 3.16Å; N15-G17 VanDerWaalsContact C-N 3.34Å; G17-R78 PolarHBondContact O-NH1 3.26Å; G17-R78 PolarHBondContact O-NH2 2.79Å |
| 18 | R | 59.5 | Low | 64 | Low | 121 Ų | 121 | 84.9 Ų | 84.9 | 46% | 0.457 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -13.8 | 178.6 | -77.7 | -173.8 | 177.4 | 158 | 11.5 | 116.1 | T14 N15 E16 | T14-R18 WeakPolarHBondContact O-CD 3.39Å; T14-R18 WeakPolarHBondContact O-CG 3.28Å; T14-R18 PolarHBondContact O-NE 3.23Å; T14-R18 PolarHBondContact O-NH2 3.07Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.26Å; E16-R18 PolarHBondContact O-N 3.31Å |
| 19 | C | 76.1 | Confident | 67 | Low | 97 Ų | 97 | 85.2 Ų | 85.2 | 66% | 0.655 | 42% | 0.42 | S | S | * | . | trans | -74.2 | 152.2 | -179.6 | -158.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 20 | V | 88.2 | Confident | 70 | Confident | 17 Ų | 17 | 87.4 Ų | 87.4 | 10% | 0.103 | 42% | 0.422 | C | S | . | . | trans | -117.7 | 132.4 | 174.5 | 175 | 0 | 0 | 0 | 0 | 108.1 | V24 Q25 I74 R78 T82 | V20-V24 HydrophobicContact CG1-CB 3.75Å; V20-V24 HydrophobicContact CG1-CG1 3.56Å; V20-Q25 HydrophobicContact CB-CG 4.4Å; V20-Q25 HydrophobicContact CG1-CG 4.2Å; V20-Q25 PolarHBondContact O-NE2 3.24Å; V20-I74 HydrophobicContact CG1-CD1 4.44Å; V20-R78 HydrophobicContact CG2-CG 4.18Å; V20-T82 HydrophobicContact CG1-CG2 4.28Å; V20-T82 HydrophobicContact CG2-CG2 4.09Å; V20-T82 WeakPolarHBondContact CG2-OG1 3.3Å | ||
| 21 | P | 93.8 | Very high | 72.9 | Confident | 34 Ų | 34 | 80.3 Ų | 80.3 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | trans | -57 | 142.8 | -177.2 | -29.4 | 37.4 | 0 | 0 | 0 | 114.2 | P23 V24 Q25 A70 I74 | P21-P23 VanDerWaalsContact C-CD 3.41Å; P21-P23 VanDerWaalsContact C-N 3.33Å; P21-V24 HydrophobicContact CB-CG2 4.37Å; P21-V24 WeakPolarHBondContact O-CB 3.42Å; P21-V24 PolarHBondContact O-N 3.42Å; P21-Q25 PolarHBondContact O-N 2.74Å; P21-Q25 VanDerWaalsContact O-N 3.12Å; P21-A70 HydrophobicContact CB-CB 3.89Å; P21-A70 HydrophobicContact CG-CB 4.37Å; P21-I74 HydrophobicContact CG-CG2 4.16Å | ||
| 22 | L | 94.6 | Very high | 75.9 | Confident | 116 Ų | 116 | 74 Ų | 74 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -53.9 | -36.5 | 178.6 | -71.2 | 173.2 | 0 | 0 | 0 | 114.7 | V24 Q25 T26 | L22-V24 VanDerWaalsContact C-N 3.31Å; L22-V24 PolarHBondContact O-N 3.06Å; L22-Q25 PolarHBondContact O-N 2.81Å; L22-T26 VanDerWaalsContact O-CB 3.26Å; L22-T26 WeakPolarHBondContact O-CB 3.34Å; L22-T26 PolarHBondContact O-N 2.95Å; L22-T26 PolarHBondContact O-OG1 3.4Å |
| 23 | P | 95.9 | Very high | 79 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 24% | 0.24 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 173.2 | -25.2 | 35 | 0 | 0 | 0 | 112.8 | P21 T26 F27 N66 L67 A70 | P21-P23 VanDerWaalsContact C-CD 3.41Å; P21-P23 VanDerWaalsContact C-N 3.33Å; P23-T26 PolarHBondContact O-N 3.08Å; P23-F27 WeakPolarHBondContact O-CB 3.4Å; P23-F27 PolarHBondContact O-N 3.12Å; P23-N66 VanDerWaalsContact CG-OD1 3.3Å; P23-N66 WeakPolarHBondContact CG-OD1 3.46Å; P23-L67 HydrophobicContact CB-CD1 4.23Å; P23-A70 HydrophobicContact CB-CB 3.87Å; P23-A70 HydrophobicContact CG-CB 3.92Å |
| 24 | V | 96.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.7 | -47.2 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | V20 P21 L22 T26 F27 L28 L67 A70 I71 F79 | V20-V24 HydrophobicContact CG1-CB 3.75Å; V20-V24 HydrophobicContact CG1-CG1 3.56Å; P21-V24 HydrophobicContact CB-CG2 4.37Å; P21-V24 WeakPolarHBondContact O-CB 3.42Å; P21-V24 PolarHBondContact O-N 3.42Å; L22-V24 VanDerWaalsContact C-N 3.31Å; L22-V24 PolarHBondContact O-N 3.06Å; V24-T26 VanDerWaalsContact C-N 3.31Å; V24-T26 PolarHBondContact O-N 3.18Å; V24-F27 PolarHBondContact O-N 2.92Å; V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3Å; V24-L67 HydrophobicContact CG2-CD1 4.31Å; V24-A70 HydrophobicContact CG2-CB 4.09Å; V24-I71 HydrophobicContact CG2-CG1 3.77Å; V24-F79 HydrophobicContact CG1-CD2 3.76Å; V24-F79 HydrophobicContact CG1-CE2 3.87Å |
| 25 | Q | 95.7 | Very high | 84.8 | Confident | 86 Ų | 86 | 63.6 Ų | 63.6 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 174.6 | -60.6 | -176.8 | 32.3 | 0 | 0 | 111.2 | V20 P21 L22 F27 L28 W29 | V20-Q25 HydrophobicContact CB-CG 4.4Å; V20-Q25 HydrophobicContact CG1-CG 4.2Å; V20-Q25 PolarHBondContact O-NE2 3.24Å; P21-Q25 PolarHBondContact O-N 2.74Å; P21-Q25 VanDerWaalsContact O-N 3.12Å; L22-Q25 PolarHBondContact O-N 2.81Å; Q25-F27 PolarHBondContact O-N 3.43Å; Q25-L28 PolarHBondContact O-N 3.41Å; Q25-W29 WeakPolarHBondContact O-CB 3.4Å; Q25-W29 PolarHBondContact O-N 3.17Å |
| 26 | T | 96.2 | Very high | 87.4 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 179.3 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | L22 P23 V24 R30 | L22-T26 VanDerWaalsContact O-CB 3.26Å; L22-T26 WeakPolarHBondContact O-CB 3.34Å; L22-T26 PolarHBondContact O-N 2.95Å; L22-T26 PolarHBondContact O-OG1 3.4Å; P23-T26 PolarHBondContact O-N 3.08Å; V24-T26 VanDerWaalsContact C-N 3.31Å; V24-T26 PolarHBondContact O-N 3.18Å; T26-R30 WeakPolarHBondContact O-CB 3.42Å; T26-R30 WeakPolarHBondContact O-CG 3.45Å; T26-R30 PolarHBondContact O-N 2.95Å |
| 27 | F | 97.5 | Very high | 89.7 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 5% | 0.053 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -54 | 175.3 | 166.3 | -101 | 0 | 0 | 0 | 111.6 | P23 V24 Q25 W29 R30 Q31 T50 V54 L63 L67 F79 | P23-F27 WeakPolarHBondContact O-CB 3.4Å; P23-F27 PolarHBondContact O-N 3.12Å; V24-F27 PolarHBondContact O-N 2.92Å; Q25-F27 PolarHBondContact O-N 3.43Å; F27-W29 VanDerWaalsContact C-N 3.33Å; F27-W29 PolarHBondContact O-N 3.35Å; F27-R30 PolarHBondContact O-N 3.16Å; F27-R30 VanDerWaalsContact O-N 3.11Å; F27-Q31 HydrophobicContact CD2-CG 4.25Å; F27-Q31 HydrophobicContact CE1-CG 4.45Å; F27-Q31 HydrophobicContact CE2-CG 3.91Å; F27-Q31 HydrophobicContact CZ-CG 4.01Å; F27-Q31 WeakPolarHBondContact O-CG 3.46Å; F27-Q31 PolarHBondContact O-N 3.13Å; F27-T50 HydrophobicContact CE2-CG2 3.73Å; F27-T50 HydrophobicContact CZ-CG2 3.78Å; F27-V54 HydrophobicContact CE1-CG1 4.13Å; F27-V54 HydrophobicContact CZ-CB 4.18Å; F27-V54 HydrophobicContact CZ-CG1 4.06Å; F27-V54 HydrophobicContact CZ-CG2 4.17Å; F27-L63 HydrophobicContact CE2-CD2 4.19Å; F27-L67 HydrophobicContact CB-CD1 3.72Å; F27-L67 HydrophobicContact CB-CD2 3.83Å; F27-L67 HydrophobicContact CB-CG 4.47Å; F27-L67 HydrophobicContact CD2-CD2 3.47Å; F27-L67 VanDerWaalsContact CD2-CD2 3.47Å; F27-L67 HydrophobicContact CE2-CD2 4.16Å; F27-L67 HydrophobicContact CG-CD1 4.16Å; F27-L67 HydrophobicContact CG-CD2 3.73Å; F27-F79 HydrophobicContact CE1-CZ 4.17Å |
| 28 | L | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | -178.6 | -66 | 173.1 | 0 | 0 | 0 | 111.5 | V24 Q25 Q31 T32 F51 T82 A83 | V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3Å; Q25-L28 PolarHBondContact O-N 3.41Å; L28-Q31 PolarHBondContact O-N 3.28Å; L28-T32 PolarHBondContact O-N 3.46Å; L28-T32 PolarHBondContact O-OG1 2.87Å; L28-F51 HydrophobicContact CD2-CE1 4.06Å; L28-T82 HydrophobicContact CD1-CG2 3.81Å; L28-A83 HydrophobicContact CD1-CB 4.48Å; L28-A83 HydrophobicContact CD2-CB 3.84Å |
| 29 | W | 96.1 | Very high | 92.6 | Very high | 142 Ų | 142 | 65.8 Ų | 65.8 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 172.3 | 179.9 | -108.1 | 0 | 0 | 0 | 112.4 | Q25 F27 Q31 T32 N33 L36 | Q25-W29 WeakPolarHBondContact O-CB 3.4Å; Q25-W29 PolarHBondContact O-N 3.17Å; F27-W29 VanDerWaalsContact C-N 3.33Å; F27-W29 PolarHBondContact O-N 3.35Å; W29-Q31 VanDerWaalsContact C-N 3.29Å; W29-Q31 PolarHBondContact O-N 2.94Å; W29-T32 PolarHBondContact O-N 2.84Å; W29-T32 VanDerWaalsContact O-N 3.07Å; W29-N33 WeakPolarHBondContact O-CB 3.13Å; W29-N33 PolarHBondContact O-N 3.15Å; W29-L36 HydrophobicContact CE3-CD1 4.42Å; W29-L36 HydrophobicContact CH2-CD1 3.41Å; W29-L36 VanDerWaalsContact CH2-CD1 3.41Å; W29-L36 HydrophobicContact CZ2-CD1 4.15Å; W29-L36 HydrophobicContact CZ3-CD1 3.58Å |
| 30 | R | 95.8 | Very high | 93.1 | Very high | 178 Ų | 178 | 62.5 Ų | 62.5 | 67% | 0.672 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.9 | -35.1 | 177.9 | -78.8 | 173.5 | 179.4 | -164.2 | -0 | 113.2 | T26 F27 P34 | T26-R30 WeakPolarHBondContact O-CB 3.42Å; T26-R30 WeakPolarHBondContact O-CG 3.45Å; T26-R30 PolarHBondContact O-N 2.95Å; F27-R30 PolarHBondContact O-N 3.16Å; F27-R30 VanDerWaalsContact O-N 3.11Å; R30-P34 WeakPolarHBondContact O-CD 3.46Å |
| 31 | Q | 96.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 63 Ų | 63 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.4 | -23.7 | 175.5 | -57.4 | -50.5 | -24.2 | 0 | 0 | 113.5 | F27 L28 W29 F35 S47 T50 F51 | F27-Q31 HydrophobicContact CD2-CG 4.25Å; F27-Q31 HydrophobicContact CE1-CG 4.45Å; F27-Q31 HydrophobicContact CE2-CG 3.91Å; F27-Q31 HydrophobicContact CZ-CG 4.01Å; F27-Q31 WeakPolarHBondContact O-CG 3.46Å; F27-Q31 PolarHBondContact O-N 3.13Å; L28-Q31 PolarHBondContact O-N 3.28Å; W29-Q31 VanDerWaalsContact C-N 3.29Å; W29-Q31 PolarHBondContact O-N 2.94Å; Q31-F35 WeakPolarHBondContact O-CE2 3.3Å; Q31-S47 WeakPolarHBondContact O-CB 3.5Å; Q31-S47 PolarHBondContact O-OG 2.84Å; Q31-S47 VanDerWaalsContact OE1-CB 3.28Å; Q31-S47 PolarHBondContact OE1-OG 3.23Å; Q31-T50 HydrophobicContact CG-CG2 4.32Å; Q31-F51 HydrophobicContact CB-CD1 4.34Å; Q31-F51 HydrophobicContact CB-CD2 4.22Å; Q31-F51 HydrophobicContact CB-CE1 3.72Å; Q31-F51 HydrophobicContact CB-CE2 3.56Å; Q31-F51 HydrophobicContact CB-CZ 3.3Å; Q31-F51 HydrophobicContact CG-CE1 4.37Å; Q31-F51 HydrophobicContact CG-CZ 4.38Å |
| 32 | T | 96.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -84.4 | -33.4 | 177.5 | -46 | 0 | 0 | 0 | 0 | 112.2 | L28 W29 P34 F35 L36 H86 H89 | L28-T32 PolarHBondContact O-N 3.46Å; L28-T32 PolarHBondContact O-OG1 2.87Å; W29-T32 PolarHBondContact O-N 2.84Å; W29-T32 VanDerWaalsContact O-N 3.07Å; T32-P34 VanDerWaalsContact C-N 3.34Å; T32-P34 VanDerWaalsContact O-N 3.16Å; T32-F35 WeakPolarHBondContact O-CB 3.29Å; T32-F35 WeakPolarHBondContact O-CD2 3.4Å; T32-F35 PolarHBondContact O-N 3.12Å; T32-L36 HydrophobicContact CG2-CD1 4.32Å; T32-L36 HydrophobicContact CG2-CD2 4.14Å; T32-L36 HydrophobicContact CG2-CG 4.22Å; T32-H86 WeakPolarHBondContact OG1-CB 3.14Å; T32-H86 PolarHBondContact OG1-ND1 2.73Å; T32-H89 HydrophobicContact CG2-CB 4.25Å |
| 33 | N | 95.1 | Very high | 92 | Very high | 91 Ų | 91 | 71.9 Ų | 71.9 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -51.2 | -38.3 | -174.5 | -166.6 | 25.1 | 0 | 0 | 0 | 115.1 | W29 F35 L36 | W29-N33 WeakPolarHBondContact O-CB 3.13Å; W29-N33 PolarHBondContact O-N 3.15Å; N33-F35 PolarHBondContact O-N 3.1Å; N33-F35 VanDerWaalsContact O-N 3.08Å; N33-L36 PolarHBondContact O-N 3.38Å; N33-L36 VanDerWaalsContact O-N 3.16Å |
| 34 | P | 95.4 | Very high | 92 | Very high | 23 Ų | 23 | 71 Ų | 71 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -59.6 | -18 | 175.3 | -25.7 | 36.6 | 0 | 0 | 0 | 115.7 | R30 T32 G41 L43 H44 | R30-P34 WeakPolarHBondContact O-CD 3.46Å; T32-P34 VanDerWaalsContact C-N 3.34Å; T32-P34 VanDerWaalsContact O-N 3.16Å; P34-G41 PolarHBondContact O-N 2.72Å; P34-L43 HydrophobicContact CB-CB 4.39Å; P34-L43 HydrophobicContact CG-CB 4.22Å; P34-H44 HydrophobicContact CB-CB 4.07Å |
| 35 | F | 95.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.035 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -98.8 | -11.5 | -178.8 | -57.6 | -93 | 0 | 0 | 0 | 113.5 | Q31 T32 N33 I40 H44 C90 A93 L94 | Q31-F35 WeakPolarHBondContact O-CE2 3.3Å; T32-F35 WeakPolarHBondContact O-CB 3.29Å; T32-F35 WeakPolarHBondContact O-CD2 3.4Å; T32-F35 PolarHBondContact O-N 3.12Å; N33-F35 PolarHBondContact O-N 3.1Å; N33-F35 VanDerWaalsContact O-N 3.08Å; F35-I40 HydrophobicContact CD1-CD1 4.36Å; F35-I40 HydrophobicContact CD1-CG2 4.26Å; F35-H44 HydrophobicContact CD1-CB 4.26Å; F35-H44 HydrophobicContact CE1-CB 3.73Å; F35-H44 HydrophobicContact CE2-CB 4.11Å; F35-H44 HydrophobicContact CZ-CB 3.66Å; F35-C90 HydrophobicContact CD1-CB 4.04Å; F35-C90 HydrophobicContact CD2-CB 4.09Å; F35-C90 WeakPolarHBondContact CD2-SG 3.3Å; F35-C90 HydrophobicContact CE1-CB 4.03Å; F35-C90 HydrophobicContact CE2-CB 4.09Å; F35-C90 VanDerWaalsContact CE2-SG 3.57Å; F35-C90 HydrophobicContact CG-CB 4.06Å; F35-C90 HydrophobicContact CZ-CB 4.05Å; F35-A93 HydrophobicContact CB-CB 3.88Å; F35-A93 HydrophobicContact CD1-CB 4.29Å; F35-L94 HydrophobicContact CD1-CG 4.16Å; F35-L94 HydrophobicContact CE1-CD1 3.8Å; F35-L94 HydrophobicContact CE1-CD2 4.19Å; F35-L94 HydrophobicContact CE1-CG 3.85Å |
| 36 | L | 90.5 | Very high | 92 | Very high | 81 Ų | 81 | 75.6 Ų | 75.6 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -90 | -1.3 | -175.1 | -58.6 | -180 | 0 | 0 | 0 | 113.9 | W29 T32 N33 | W29-L36 HydrophobicContact CE3-CD1 4.42Å; W29-L36 HydrophobicContact CH2-CD1 3.41Å; W29-L36 VanDerWaalsContact CH2-CD1 3.41Å; W29-L36 HydrophobicContact CZ2-CD1 4.15Å; W29-L36 HydrophobicContact CZ3-CD1 3.58Å; T32-L36 HydrophobicContact CG2-CD1 4.32Å; T32-L36 HydrophobicContact CG2-CD2 4.14Å; T32-L36 HydrophobicContact CG2-CG 4.22Å; N33-L36 PolarHBondContact O-N 3.38Å; N33-L36 VanDerWaalsContact O-N 3.16Å |
| 37 | G | 83.5 | Confident | 92 | Very high | 36 Ų | 36 | 72.9 Ų | 72.9 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -79.5 | 161.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K39 | G37-K39 PolarHBondContact O-N 2.84Å; G37-K39 VanDerWaalsContact O-N 3.07Å |
| 38 | P | 82.5 | Confident | 92 | Very high | 145 Ų | 145 | 72.3 Ų | 72.3 | 94% | 0.942 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -68.3 | -4.3 | 176.3 | 30.8 | -37.3 | 0 | 0 | 0 | 114 | ||
| 39 | K | 85.7 | Confident | 92 | Very high | 181 Ų | 181 | 75.4 Ų | 75.4 | 79% | 0.787 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -146.3 | 146.3 | 162.6 | -65.1 | -160.9 | 173.7 | -151.9 | 0 | 107.3 | G37 | G37-K39 PolarHBondContact O-N 2.84Å; G37-K39 VanDerWaalsContact O-N 3.07Å |
| 40 | I | 88 | Confident | 92 | Very high | 27 Ų | 27 | 70.2 Ų | 70.2 | 14% | 0.138 | 37% | 0.373 | C | S | . | . | trans | -71 | 134.9 | -175.7 | -59.4 | -173.6 | 0 | 0 | 0 | 110.1 | F35 H44 A93 L94 E97 | F35-I40 HydrophobicContact CD1-CD1 4.36Å; F35-I40 HydrophobicContact CD1-CG2 4.26Å; I40-H44 HydrophobicContact CG2-CB 3.49Å; I40-H44 VanDerWaalsContact CG2-CB 3.49Å; I40-H44 WeakPolarHBondContact CG2-ND1 3.24Å; I40-A93 HydrophobicContact CD1-CB 4.02Å; I40-L94 HydrophobicContact CD1-CD2 3.84Å; I40-L94 HydrophobicContact CD1-CG 4.19Å; I40-E97 HydrophobicContact CD1-CB 3.94Å | ||
| 41 | G | 77.7 | Confident | 92.1 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | trans | -75.5 | 152.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P34 L43 H44 | P34-G41 PolarHBondContact O-N 2.72Å; G41-L43 PolarHBondContact O-N 2.92Å; G41-H44 WeakPolarHBondContact O-CB 3.33Å; G41-H44 PolarHBondContact O-N 3.43Å; G41-H44 PolarHBondContact O-ND1 2.72Å | ||
| 42 | K | 85.1 | Confident | 92.2 | Very high | 209 Ų | 209 | 61.1 Ų | 61.1 | 91% | 0.909 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -14.4 | 173.8 | -67.7 | -172.7 | 176.1 | -174 | 0 | 114.8 | ||
| 43 | L | 90.2 | Very high | 92.3 | Very high | 127 Ų | 127 | 65.8 Ų | 65.8 | 67% | 0.665 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -12.6 | 179.2 | -62.6 | 175 | 0 | 0 | 0 | 113.4 | P34 G41 E45 A46 S47 | P34-L43 HydrophobicContact CB-CB 4.39Å; P34-L43 HydrophobicContact CG-CB 4.22Å; G41-L43 PolarHBondContact O-N 2.92Å; L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 3.48Å; L43-A46 PolarHBondContact O-N 3.5Å; L43-A46 VanDerWaalsContact O-N 3.16Å; L43-S47 PolarHBondContact O-N 2.86Å |
| 44 | H | 95 | Very high | 92.4 | Very high | 19 Ų | 19 | 61.5 Ų | 61.5 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -35.7 | -172.4 | 82.9 | -89.6 | 0 | 0 | 0 | 112.9 | P34 F35 I40 G41 A46 S47 C48 S110 | P34-H44 HydrophobicContact CB-CB 4.07Å; F35-H44 HydrophobicContact CD1-CB 4.26Å; F35-H44 HydrophobicContact CE1-CB 3.73Å; F35-H44 HydrophobicContact CE2-CB 4.11Å; F35-H44 HydrophobicContact CZ-CB 3.66Å; I40-H44 HydrophobicContact CG2-CB 3.49Å; I40-H44 VanDerWaalsContact CG2-CB 3.49Å; I40-H44 WeakPolarHBondContact CG2-ND1 3.24Å; G41-H44 WeakPolarHBondContact O-CB 3.33Å; G41-H44 PolarHBondContact O-N 3.43Å; G41-H44 PolarHBondContact O-ND1 2.72Å; H44-A46 VanDerWaalsContact C-N 3.28Å; H44-A46 PolarHBondContact O-N 3.33Å; H44-S47 CarbonylContact O-C 3.55Å; H44-S47 WeakPolarHBondContact O-CA 3.36Å; H44-S47 WeakPolarHBondContact O-CB 3.35Å; H44-S47 PolarHBondContact O-N 3.19Å; H44-S47 VanDerWaalsContact O-N 3.09Å; H44-C48 PolarHBondContact O-N 3.05Å; H44-C48 PolarHBondContact O-SG 2.84Å; H44-S110 PolarHBondContact CD2-OG 3.41Å; H44-S110 VanDerWaalsContact CD2-OG 3.26Å; H44-S110 VanDerWaalsContact NE2-CB 3.28Å; H44-S110 WeakPolarHBondContact NE2-CB 3.45Å; H44-S110 PolarHBondContact NE2-OG 2.65Å |
| 45 | E | 95.8 | Very high | 92.5 | Very high | 122 Ų | 122 | 60.4 Ų | 60.4 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.7 | -39 | 178.9 | -52.8 | -172 | 169.2 | 0 | 0 | 112.1 | L43 C48 V49 | L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 3.48Å; E45-C48 WeakPolarHBondContact O-CB 3.35Å; E45-C48 PolarHBondContact O-N 3.21Å; E45-V49 PolarHBondContact O-N 3.09Å; E45-V49 VanDerWaalsContact O-N 3.15Å |
| 46 | A | 96.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 49% | 0.488 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.8 | -35.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L43 H44 V49 T50 | L43-A46 PolarHBondContact O-N 3.5Å; L43-A46 VanDerWaalsContact O-N 3.16Å; H44-A46 VanDerWaalsContact C-N 3.28Å; H44-A46 PolarHBondContact O-N 3.33Å; A46-V49 PolarHBondContact O-N 3.25Å; A46-T50 WeakPolarHBondContact O-CB 3.49Å; A46-T50 PolarHBondContact O-N 2.95Å; A46-T50 PolarHBondContact O-OG1 3.3Å |
| 47 | S | 97 | Very high | 92.8 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | 171.9 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | Q31 L43 H44 V49 T50 F51 | Q31-S47 WeakPolarHBondContact O-CB 3.5Å; Q31-S47 PolarHBondContact O-OG 2.84Å; Q31-S47 VanDerWaalsContact OE1-CB 3.28Å; Q31-S47 PolarHBondContact OE1-OG 3.23Å; L43-S47 PolarHBondContact O-N 2.86Å; H44-S47 CarbonylContact O-C 3.55Å; H44-S47 WeakPolarHBondContact O-CA 3.36Å; H44-S47 WeakPolarHBondContact O-CB 3.35Å; H44-S47 PolarHBondContact O-N 3.19Å; H44-S47 VanDerWaalsContact O-N 3.09Å; S47-V49 PolarHBondContact O-N 3.46Å; S47-T50 PolarHBondContact O-N 2.87Å; S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 PolarHBondContact O-N 3.37Å |
| 48 | C | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58 | -49.9 | 172.6 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | H44 E45 T50 F51 E52 K113 M114 | H44-C48 PolarHBondContact O-N 3.05Å; H44-C48 PolarHBondContact O-SG 2.84Å; E45-C48 WeakPolarHBondContact O-CB 3.35Å; E45-C48 PolarHBondContact O-N 3.21Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 3.08Å; C48-F51 PolarHBondContact O-N 3Å; C48-E52 WeakPolarHBondContact O-CB 3.44Å; C48-E52 PolarHBondContact O-N 3.03Å; C48-K113 HydrophobicContact CB-CB 4.3Å; C48-K113 HydrophobicContact CB-CD 4.36Å; C48-M114 VanDerWaalsContact CA-CE 3.49Å; C48-M114 HydrophobicContact CB-CE 3.8Å; C48-M114 HydrophobicContact CB-CG 4.23Å; C48-M114 HydrophobicContact CB-SD 4.1Å; C48-M114 VanDerWaalsContact O-CE 3.26Å; C48-M114 WeakPolarHBondContact O-CE 3.48Å; C48-M114 WeakPolarHBondContact SG-CG 3.44Å |
| 49 | V | 97 | Very high | 94.1 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 39% | 0.394 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | E45 A46 S47 R53 K113 | E45-V49 PolarHBondContact O-N 3.09Å; E45-V49 VanDerWaalsContact O-N 3.15Å; A46-V49 PolarHBondContact O-N 3.25Å; S47-V49 PolarHBondContact O-N 3.46Å; V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 2.84Å; V49-K113 HydrophobicContact CG2-CD 4.17Å |
| 50 | T | 97 | Very high | 94.6 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 178.4 | -58 | 0 | 0 | 0 | 0 | 112.1 | F27 Q31 A46 S47 C48 V54 | F27-T50 HydrophobicContact CE2-CG2 3.73Å; F27-T50 HydrophobicContact CZ-CG2 3.78Å; Q31-T50 HydrophobicContact CG-CG2 4.32Å; A46-T50 WeakPolarHBondContact O-CB 3.49Å; A46-T50 PolarHBondContact O-N 2.95Å; A46-T50 PolarHBondContact O-OG1 3.3Å; S47-T50 PolarHBondContact O-N 2.87Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 3.08Å; T50-V54 HydrophobicContact CG2-CG2 4.34Å; T50-V54 WeakPolarHBondContact O-CB 3.19Å; T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.32Å; T50-V54 PolarHBondContact O-N 2.74Å |
| 51 | F | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 173.1 | -79.1 | -54.8 | 0 | 0 | 0 | 111.4 | L28 Q31 S47 C48 R53 V54 V55 H86 I87 M114 | L28-F51 HydrophobicContact CD2-CE1 4.06Å; Q31-F51 HydrophobicContact CB-CD1 4.34Å; Q31-F51 HydrophobicContact CB-CD2 4.22Å; Q31-F51 HydrophobicContact CB-CE1 3.72Å; Q31-F51 HydrophobicContact CB-CE2 3.56Å; Q31-F51 HydrophobicContact CB-CZ 3.3Å; Q31-F51 HydrophobicContact CG-CE1 4.37Å; Q31-F51 HydrophobicContact CG-CZ 4.38Å; S47-F51 VanDerWaalsContact O-CD2 3.24Å; S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 PolarHBondContact O-N 3.37Å; C48-F51 PolarHBondContact O-N 3Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.31Å; F51-V54 PolarHBondContact O-N 2.74Å; F51-V55 HydrophobicContact CD1-CG2 3.93Å; F51-V55 WeakPolarHBondContact O-CA 3.27Å; F51-V55 WeakPolarHBondContact O-CB 3.36Å; F51-V55 WeakPolarHBondContact O-CG2 3.38Å; F51-V55 PolarHBondContact O-N 3.23Å; F51-H86 HydrophobicContact CE1-CB 4.42Å; F51-H86 HydrophobicContact CZ-CB 4.22Å; F51-I87 HydrophobicContact CB-CD1 3.74Å; F51-I87 HydrophobicContact CD1-CD1 3.46Å; F51-I87 VanDerWaalsContact CD1-CD1 3.46Å; F51-I87 HydrophobicContact CD2-CD1 3.74Å; F51-I87 HydrophobicContact CE1-CD1 3.83Å; F51-I87 HydrophobicContact CE2-CD1 4.09Å; F51-I87 HydrophobicContact CG-CD1 3.4Å; F51-I87 VanDerWaalsContact CG-CD1 3.4Å; F51-I87 HydrophobicContact CZ-CD1 4.11Å; F51-M114 HydrophobicContact CB-CE 3.97Å; F51-M114 HydrophobicContact CB-SD 4.36Å; F51-M114 HydrophobicContact CD2-SD 3.95Å |
| 52 | E | 97.7 | Very high | 95.4 | Very high | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -55 | -47.3 | 176.1 | -175.9 | -180 | -178.8 | 0 | 0 | 111.8 | C48 V56 Q57 K113 Y116 V117 R182 | C48-E52 WeakPolarHBondContact O-CB 3.44Å; C48-E52 PolarHBondContact O-N 3.03Å; E52-V56 WeakPolarHBondContact O-CB 3.4Å; E52-V56 PolarHBondContact O-N 3.42Å; E52-Q57 PolarHBondContact O-N 3.07Å; E52-Q57 VanDerWaalsContact O-N 3.11Å; E52-K113 WeakPolarHBondContact OE2-CG 3.29Å; E52-Y116 HydrophobicContact CG-CD1 4.48Å; E52-Y116 HydrophobicContact CG-CE1 4.42Å; E52-V117 HydrophobicContact CB-CG2 3.96Å; E52-V117 HydrophobicContact CG-CG2 4.43Å; E52-R182 IonicContact OE1-CZ 3.84Å; E52-R182 VanDerWaalsContact OE1-CZ 3.24Å; E52-R182 IonicContact OE1-NH1 3.72Å; E52-R182 PolarHBondContact OE1-NH1 3.02Å; E52-R182 IonicContact OE1-NH2 2.74Å; E52-R182 PolarHBondContact OE1-NH2 3.43Å |
| 53 | R | 97.4 | Very high | 95.8 | Very high | 102 Ų | 102 | 52 Ų | 52 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -65.8 | -37.5 | -179.5 | 179.3 | -179.4 | 174.5 | 143.5 | -2.3 | 114.6 | V49 F51 Q57 N58 I59 H61 | V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 2.84Å; F51-R53 VanDerWaalsContact C-N 3.33Å; F51-R53 PolarHBondContact O-N 3.31Å; R53-Q57 CarbonylContact O-C 3.57Å; R53-Q57 WeakPolarHBondContact O-CB 3.32Å; R53-N58 PolarHBondContact O-N 3.32Å; R53-I59 HydrophobicContact CG-CB 3.79Å; R53-I59 HydrophobicContact CG-CG2 4.32Å; R53-I59 PolarHBondContact O-N 3Å; R53-H61 PolarHBondContact NH2-O 3.1Å |
| 54 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -102.1 | -39 | -170.3 | -178.1 | 0 | 0 | 0 | 0 | 112 | F27 T50 F51 L60 L63 I71 R76 F79 | F27-V54 HydrophobicContact CE1-CG1 4.13Å; F27-V54 HydrophobicContact CZ-CB 4.18Å; F27-V54 HydrophobicContact CZ-CG1 4.06Å; F27-V54 HydrophobicContact CZ-CG2 4.17Å; T50-V54 HydrophobicContact CG2-CG2 4.34Å; T50-V54 WeakPolarHBondContact O-CB 3.19Å; T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.32Å; T50-V54 PolarHBondContact O-N 2.74Å; F51-V54 PolarHBondContact O-N 2.74Å; V54-L60 HydrophobicContact CG1-CD2 3.87Å; V54-L63 HydrophobicContact CG1-CD1 4.13Å; V54-L63 HydrophobicContact CG2-CD1 4.02Å; V54-L63 HydrophobicContact CG2-CD2 4.32Å; V54-I71 HydrophobicContact CG1-CD1 4.14Å; V54-R76 PolarHBondContact O-NH1 3.3Å; V54-R76 VanDerWaalsContact O-NH1 3.1Å; V54-F79 HydrophobicContact CG1-CE1 3.96Å; V54-F79 HydrophobicContact CG1-CZ 3.65Å |
| 55 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -80.7 | -48 | -179.6 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | F51 R76 F79 A83 V117 W120 L121 | F51-V55 HydrophobicContact CD1-CG2 3.93Å; F51-V55 WeakPolarHBondContact O-CA 3.27Å; F51-V55 WeakPolarHBondContact O-CB 3.36Å; F51-V55 WeakPolarHBondContact O-CG2 3.38Å; F51-V55 PolarHBondContact O-N 3.23Å; V55-R76 PolarHBondContact O-NH2 3.24Å; V55-F79 HydrophobicContact CG2-CE1 4.09Å; V55-F79 HydrophobicContact CG2-CZ 4.42Å; V55-A83 HydrophobicContact CG1-CB 4Å; V55-A83 HydrophobicContact CG2-CB 3.86Å; V55-V117 HydrophobicContact CB-CG1 4.44Å; V55-V117 HydrophobicContact CG1-CG1 4.38Å; V55-W120 HydrophobicContact CG1-CZ3 4.17Å; V55-W120 VanDerWaalsContact O-CH2 3.26Å; V55-W120 WeakPolarHBondContact O-CH2 3.36Å; V55-W120 VanDerWaalsContact O-CZ3 3.23Å; V55-W120 WeakPolarHBondContact O-CZ3 3.41Å; V55-L121 HydrophobicContact CG1-CD2 4.21Å; V55-L121 HydrophobicContact CG1-CG 4.47Å |
| 56 | V | 96.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -82.5 | -70.9 | 175.4 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | E52 N58 R76 Y116 V117 W120 | E52-V56 WeakPolarHBondContact O-CB 3.4Å; E52-V56 PolarHBondContact O-N 3.42Å; V56-N58 PolarHBondContact O-N 2.99Å; V56-R76 PolarHBondContact O-NH2 3.05Å; V56-Y116 HydrophobicContact CG1-CE1 4.19Å; V56-Y116 HydrophobicContact CG2-CE1 4.2Å; V56-V117 HydrophobicContact CG2-CB 4.25Å; V56-V117 HydrophobicContact CG2-CG1 4.1Å; V56-V117 HydrophobicContact CG2-CG2 3.84Å; V56-W120 HydrophobicContact CB-CD2 4.12Å; V56-W120 HydrophobicContact CB-CE3 4.26Å; V56-W120 HydrophobicContact CB-CG 4.46Å; V56-W120 HydrophobicContact CG1-CD2 3.83Å; V56-W120 HydrophobicContact CG1-CE3 4.46Å; V56-W120 HydrophobicContact CG1-CG 3.84Å; V56-W120 HydrophobicContact CG2-CB 4.17Å; V56-W120 HydrophobicContact CG2-CD2 3.79Å; V56-W120 HydrophobicContact CG2-CE3 3.71Å; V56-W120 HydrophobicContact CG2-CG 3.98Å; V56-W120 HydrophobicContact CG2-CZ3 4.43Å |
| 57 | Q | 96.2 | Very high | 96 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -72.1 | -4.5 | -166.2 | -56.9 | 169.1 | -6.6 | 0 | 0 | 115.3 | E52 R53 I59 | E52-Q57 PolarHBondContact O-N 3.07Å; E52-Q57 VanDerWaalsContact O-N 3.11Å; R53-Q57 CarbonylContact O-C 3.57Å; R53-Q57 WeakPolarHBondContact O-CB 3.32Å; Q57-I59 HydrophobicContact CB-CD1 3.94Å; Q57-I59 HydrophobicContact CB-CG1 3.85Å; Q57-I59 WeakPolarHBondContact O-CG1 3.45Å; Q57-I59 PolarHBondContact O-N 2.91Å; Q57-I59 VanDerWaalsContact O-N 3.08Å |
| 58 | N | 96 | Very high | 95.9 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | trans | 55.1 | 22.6 | -179 | -154.7 | 16.6 | 0 | 0 | 0 | 115.3 | R53 V56 L60 R76 | R53-N58 PolarHBondContact O-N 3.32Å; V56-N58 PolarHBondContact O-N 2.99Å; N58-L60 PolarHBondContact O-N 2.79Å; N58-R76 VanDerWaalsContact CG-CZ 3.49Å; N58-R76 PolarHBondContact OD1-NH1 3.45Å; N58-R76 VanDerWaalsContact OD1-NH1 3.1Å | ||
| 59 | I | 96.4 | Very high | 95.9 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | trans | -83.4 | 84.6 | -175.1 | -54.7 | 177.3 | 0 | 0 | 0 | 110.3 | R53 Q57 H61 | R53-I59 HydrophobicContact CG-CB 3.79Å; R53-I59 HydrophobicContact CG-CG2 4.32Å; R53-I59 PolarHBondContact O-N 3Å; Q57-I59 HydrophobicContact CB-CD1 3.94Å; Q57-I59 HydrophobicContact CB-CG1 3.85Å; Q57-I59 WeakPolarHBondContact O-CG1 3.45Å; Q57-I59 PolarHBondContact O-N 2.91Å; Q57-I59 VanDerWaalsContact O-N 3.08Å; I59-H61 HydrophobicContact CG2-CB 4.23Å; I59-H61 PolarHBondContact O-N 3.38Å | ||
| 60 | L | 95.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | trans | -74.2 | -11.2 | 178.5 | -48.4 | -173.2 | 0 | 0 | 0 | 113.9 | V54 N58 G62 L63 S68 I71 K72 | V54-L60 HydrophobicContact CG1-CD2 3.87Å; N58-L60 PolarHBondContact O-N 2.79Å; L60-G62 PolarHBondContact O-N 2.87Å; L60-L63 HydrophobicContact CB-CD1 4.35Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 WeakPolarHBondContact O-CB 3.46Å; L60-L63 WeakPolarHBondContact O-CG 3.47Å; L60-L63 PolarHBondContact O-N 3.47Å; L60-S68 PolarHBondContact O-OG 2.74Å; L60-I71 HydrophobicContact CD1-CB 4.08Å; L60-I71 HydrophobicContact CD1-CG2 3.8Å; L60-I71 HydrophobicContact CD2-CB 4.47Å; L60-I71 HydrophobicContact CD2-CD1 3.91Å; L60-I71 HydrophobicContact CD2-CG2 3.93Å; L60-K72 HydrophobicContact CD1-CG 3.96Å | ||
| 61 | H | 92.6 | Very high | 95.8 | Very high | 155 Ų | 155 | 52.8 Ų | 52.8 | 72% | 0.718 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 135.2 | 175.4 | -64.7 | 106.4 | 0 | 0 | 0 | 111.1 | R53 I59 L63 | R53-H61 PolarHBondContact NH2-O 3.1Å; I59-H61 HydrophobicContact CG2-CB 4.23Å; I59-H61 PolarHBondContact O-N 3.38Å; H61-L63 VanDerWaalsContact C-N 3.31Å |
| 62 | G | 90.5 | Very high | 95.6 | Very high | 83 Ų | 83 | 60.6 Ų | 60.6 | 86% | 0.856 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -5.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L60 | L60-G62 PolarHBondContact O-N 2.87Š|
| 63 | L | 93.7 | Very high | 95.3 | Very high | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -77.9 | 162.7 | 162.2 | -57.4 | 179.4 | 0 | 0 | 0 | 110.3 | F27 V54 L60 H61 L67 I71 | F27-L63 HydrophobicContact CE2-CD2 4.19Å; V54-L63 HydrophobicContact CG1-CD1 4.13Å; V54-L63 HydrophobicContact CG2-CD1 4.02Å; V54-L63 HydrophobicContact CG2-CD2 4.32Å; L60-L63 HydrophobicContact CB-CD1 4.35Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 WeakPolarHBondContact O-CB 3.46Å; L60-L63 WeakPolarHBondContact O-CG 3.47Å; L60-L63 PolarHBondContact O-N 3.47Å; H61-L63 VanDerWaalsContact C-N 3.31Å; L63-L67 HydrophobicContact CB-CD2 4.18Å; L63-L67 HydrophobicContact CD1-CD2 4.03Å; L63-L67 HydrophobicContact CD1-CG 4.29Å; L63-L67 HydrophobicContact CD2-CD2 4.18Å; L63-L67 HydrophobicContact CG-CD2 4.36Å; L63-I71 HydrophobicContact CD1-CD1 3.99Å |
| 64 | S | 94.9 | Very high | 95.1 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | trans | -65.5 | 146.1 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | N66 L67 S68 | S64-N66 VanDerWaalsContact C-N 3.35Å; S64-N66 PolarHBondContact O-N 3.24Å; S64-L67 PolarHBondContact O-N 3.15Å; S64-L67 WeakPolarHBondContact OG-CB 3.22Å; S64-S68 PolarHBondContact O-N 3.28Å; S64-S68 PolarHBondContact O-OG 3.44Å | ||
| 65 | P | 94.1 | Very high | 94.8 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53.4 | -47.7 | -175.9 | -29.4 | 35.9 | 0 | 0 | 0 | 113.6 | L67 S68 E69 | P65-L67 VanDerWaalsContact C-N 3.31Å; P65-L67 PolarHBondContact O-N 3.04Å; P65-S68 PolarHBondContact O-N 3.27Å; P65-S68 VanDerWaalsContact O-N 3.08Å; P65-E69 WeakPolarHBondContact O-CB 3.2Å; P65-E69 WeakPolarHBondContact O-CG 3.31Å; P65-E69 PolarHBondContact O-N 2.94Å |
| 66 | N | 95.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 64.7 Ų | 64.7 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.5 | -41.8 | 175.7 | -178.6 | -2 | 0 | 0 | 0 | 112.7 | P23 S64 A70 | P23-N66 VanDerWaalsContact CG-OD1 3.3Å; P23-N66 WeakPolarHBondContact CG-OD1 3.46Å; S64-N66 VanDerWaalsContact C-N 3.35Å; S64-N66 PolarHBondContact O-N 3.24Å; N66-A70 WeakPolarHBondContact O-CB 3.28Å; N66-A70 PolarHBondContact O-N 3.12Å |
| 67 | L | 96.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 175.8 | 177.4 | 59.9 | 0 | 0 | 0 | 111.6 | P23 V24 F27 L63 S64 P65 E69 A70 I71 | P23-L67 HydrophobicContact CB-CD1 4.23Å; V24-L67 HydrophobicContact CG2-CD1 4.31Å; F27-L67 HydrophobicContact CB-CD1 3.72Å; F27-L67 HydrophobicContact CB-CD2 3.83Å; F27-L67 HydrophobicContact CB-CG 4.47Å; F27-L67 HydrophobicContact CD2-CD2 3.47Å; F27-L67 VanDerWaalsContact CD2-CD2 3.47Å; F27-L67 HydrophobicContact CE2-CD2 4.16Å; F27-L67 HydrophobicContact CG-CD1 4.16Å; F27-L67 HydrophobicContact CG-CD2 3.73Å; L63-L67 HydrophobicContact CB-CD2 4.18Å; L63-L67 HydrophobicContact CD1-CD2 4.03Å; L63-L67 HydrophobicContact CD1-CG 4.29Å; L63-L67 HydrophobicContact CD2-CD2 4.18Å; L63-L67 HydrophobicContact CG-CD2 4.36Å; S64-L67 PolarHBondContact O-N 3.15Å; S64-L67 WeakPolarHBondContact OG-CB 3.22Å; P65-L67 VanDerWaalsContact C-N 3.31Å; P65-L67 PolarHBondContact O-N 3.04Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 2.93Å; L67-A70 PolarHBondContact O-N 2.89Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.06Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 HydrophobicContact CG-CG1 4.49Å; L67-I71 VanDerWaalsContact O-CG1 3.32Å; L67-I71 WeakPolarHBondContact O-CG1 3.2Å; L67-I71 PolarHBondContact O-N 3.2Å |
| 68 | S | 96.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -37.4 | 178.1 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | L60 S64 P65 K72 | L60-S68 PolarHBondContact O-OG 2.74Å; S64-S68 PolarHBondContact O-N 3.28Å; S64-S68 PolarHBondContact O-OG 3.44Å; P65-S68 PolarHBondContact O-N 3.27Å; P65-S68 VanDerWaalsContact O-N 3.08Å; S68-K72 WeakPolarHBondContact O-CB 3.43Å; S68-K72 VanDerWaalsContact O-CG 3.24Å; S68-K72 WeakPolarHBondContact O-CG 3.47Å; S68-K72 PolarHBondContact O-N 2.95Å |
| 69 | E | 95.8 | Very high | 94.2 | Very high | 131 Ų | 131 | 60.3 Ų | 60.3 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.1 | -44.8 | 173.4 | -72.5 | 164.2 | -175.4 | 0 | 0 | 111 | P65 L67 I71 K72 S73 | P65-E69 WeakPolarHBondContact O-CB 3.2Å; P65-E69 WeakPolarHBondContact O-CG 3.31Å; P65-E69 PolarHBondContact O-N 2.94Å; L67-E69 VanDerWaalsContact C-N 3.33Å; L67-E69 PolarHBondContact O-N 2.93Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.44Å; E69-K72 CarbonylContact O-C 3.56Å; E69-K72 PolarHBondContact O-N 3.03Å; E69-K72 VanDerWaalsContact O-N 3.12Å; E69-S73 WeakPolarHBondContact O-CB 3.44Å; E69-S73 PolarHBondContact O-N 2.99Å |
| 70 | A | 96 | Very high | 94.2 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -25.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P21 P23 V24 N66 L67 S73 | P21-A70 HydrophobicContact CB-CB 3.89Å; P21-A70 HydrophobicContact CG-CB 4.37Å; P23-A70 HydrophobicContact CB-CB 3.87Å; P23-A70 HydrophobicContact CG-CB 3.92Å; V24-A70 HydrophobicContact CG2-CB 4.09Å; N66-A70 WeakPolarHBondContact O-CB 3.28Å; N66-A70 PolarHBondContact O-N 3.12Å; L67-A70 PolarHBondContact O-N 2.89Å; A70-S73 PolarHBondContact O-OG 2.84Å |
| 71 | I | 95.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.6 | -39.9 | 169.6 | -66.8 | 169.3 | 0 | 0 | 0 | 110.2 | V24 V54 L60 L63 L67 E69 S73 I74 F79 | V24-I71 HydrophobicContact CG2-CG1 3.77Å; V54-I71 HydrophobicContact CG1-CD1 4.14Å; L60-I71 HydrophobicContact CD1-CB 4.08Å; L60-I71 HydrophobicContact CD1-CG2 3.8Å; L60-I71 HydrophobicContact CD2-CB 4.47Å; L60-I71 HydrophobicContact CD2-CD1 3.91Å; L60-I71 HydrophobicContact CD2-CG2 3.93Å; L63-I71 HydrophobicContact CD1-CD1 3.99Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.06Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 HydrophobicContact CG-CG1 4.49Å; L67-I71 VanDerWaalsContact O-CG1 3.32Å; L67-I71 WeakPolarHBondContact O-CG1 3.2Å; L67-I71 PolarHBondContact O-N 3.2Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.44Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.02Å; I71-I74 WeakPolarHBondContact O-CG1 3.47Å; I71-F79 HydrophobicContact CD1-CD2 4.46Å; I71-F79 HydrophobicContact CD1-CE2 3.85Å; I71-F79 HydrophobicContact CD1-CZ 4.19Å; I71-F79 HydrophobicContact CG1-CD2 3.98Å; I71-F79 HydrophobicContact CG1-CE2 3.82Å; I71-F79 HydrophobicContact CG2-CD2 4.01Å; I71-F79 HydrophobicContact CG2-CE2 4.37Å; I71-F79 HydrophobicContact CG2-CG 4.11Å |
| 72 | K | 94 | Very high | 94.2 | Very high | 163 Ų | 163 | 51.1 Ų | 51.1 | 71% | 0.709 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -72.3 | -18.3 | 177.5 | -72.6 | 174.8 | -179.9 | -172.7 | 0 | 114.2 | L60 S68 E69 I74 | L60-K72 HydrophobicContact CD1-CG 3.96Å; S68-K72 WeakPolarHBondContact O-CB 3.43Å; S68-K72 VanDerWaalsContact O-CG 3.24Å; S68-K72 WeakPolarHBondContact O-CG 3.47Å; S68-K72 PolarHBondContact O-N 2.95Å; E69-K72 CarbonylContact O-C 3.56Å; E69-K72 PolarHBondContact O-N 3.03Å; E69-K72 VanDerWaalsContact O-N 3.12Å; K72-I74 VanDerWaalsContact C-N 3.25Å; K72-I74 PolarHBondContact O-N 2.83Å |
| 73 | S | 93.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 57% | 0.573 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 8.1 | 179.6 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | E69 A70 I71 | E69-S73 WeakPolarHBondContact O-CB 3.44Å; E69-S73 PolarHBondContact O-N 2.99Å; A70-S73 PolarHBondContact O-OG 2.84Å; I71-S73 VanDerWaalsContact C-N 3.3Å; I71-S73 PolarHBondContact O-N 3.02Å |
| 74 | I | 92.2 | Very high | 94.6 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -133.9 | 153.6 | 175.5 | 56.8 | 173.4 | 0 | 0 | 0 | 110.1 | V20 P21 I71 K72 R78 F79 | V20-I74 HydrophobicContact CG1-CD1 4.44Å; P21-I74 HydrophobicContact CG-CG2 4.16Å; I71-I74 WeakPolarHBondContact O-CG1 3.47Å; K72-I74 VanDerWaalsContact C-N 3.25Å; K72-I74 PolarHBondContact O-N 2.83Å; I74-R78 HydrophobicContact CB-CB 4.43Å; I74-R78 HydrophobicContact CD1-CB 4.4Å; I74-R78 HydrophobicContact CD1-CG 4.22Å; I74-F79 HydrophobicContact CD1-CB 4.04Å |
| 75 | P | 91.2 | Very high | 94.7 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | trans | -52.4 | 145.5 | 172.2 | -27.8 | 36 | 0 | 0 | 0 | 111.7 | W77 R78 F79 E133 | P75-W77 VanDerWaalsContact C-N 3.28Å; P75-W77 PolarHBondContact O-N 3.03Å; P75-R78 HydrophobicContact CB-CB 4.37Å; P75-R78 WeakPolarHBondContact O-CA 3.38Å; P75-R78 WeakPolarHBondContact O-CB 3.26Å; P75-R78 PolarHBondContact O-N 3.42Å; P75-F79 PolarHBondContact O-N 3.01Å; P75-E133 WeakPolarHBondContact CB-OE1 3.46Å | ||
| 76 | R | 94 | Very high | 94.8 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | -175.3 | 174.8 | 56.8 | 178.5 | 159.2 | 10.9 | 110.1 | V54 V55 V56 N58 R78 F79 V80 E133 | V54-R76 PolarHBondContact O-NH1 3.3Å; V54-R76 VanDerWaalsContact O-NH1 3.1Å; V55-R76 PolarHBondContact O-NH2 3.24Å; V56-R76 PolarHBondContact O-NH2 3.05Å; N58-R76 VanDerWaalsContact CG-CZ 3.49Å; N58-R76 PolarHBondContact OD1-NH1 3.45Å; N58-R76 VanDerWaalsContact OD1-NH1 3.1Å; R76-R78 PolarHBondContact O-N 3.39Å; R76-F79 PolarHBondContact O-N 3.02Å; R76-V80 WeakPolarHBondContact O-CG2 3.32Å; R76-V80 PolarHBondContact O-N 3.04Å; R76-E133 PolarHBondContact N-OE1 3.22Å |
| 77 | W | 93.2 | Very high | 95 | Very high | 25 Ų | 25 | 36 Ų | 36 | 10% | 0.095 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -34.8 | 172 | 178.7 | -125.5 | 0 | 0 | 0 | 113.4 | P75 V80 S81 A126 C129 Q150 Y151 L153 | P75-W77 VanDerWaalsContact C-N 3.28Å; P75-W77 PolarHBondContact O-N 3.03Å; W77-V80 HydrophobicContact CE3-CB 4.24Å; W77-V80 HydrophobicContact CE3-CG1 3.97Å; W77-V80 HydrophobicContact CZ3-CG1 3.77Å; W77-V80 PolarHBondContact O-N 3.3Å; W77-S81 WeakPolarHBondContact O-CB 3.4Å; W77-S81 PolarHBondContact O-N 3.5Å; W77-S81 PolarHBondContact O-OG 3.21Å; W77-A126 HydrophobicContact CZ3-CB 4.37Å; W77-C129 HydrophobicContact CB-CB 3.92Å; W77-C129 HydrophobicContact CE3-CB 4.21Å; W77-Q150 PolarHBondContact NE1-O 3.4Å; W77-Y151 HydrophobicContact CB-CD1 3.63Å; W77-Y151 HydrophobicContact CB-CE1 3.57Å; W77-Y151 AromaticContact CD1-CD1 3.98Å; W77-Y151 AromaticContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CG 4.43Å; W77-Y151 HydrophobicContact CE3-CD1 4.1Å; W77-Y151 AromaticContact CG-CD1 3.51Å; W77-Y151 HydrophobicContact CG-CD1 3.51Å; W77-Y151 AromaticContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CG 4.3Å; W77-Y151 VanDerWaalsContact CH2-O 3.27Å; W77-Y151 WeakPolarHBondContact CH2-O 3.49Å; W77-Y151 VanDerWaalsContact CZ2-C 3.44Å; W77-Y151 WeakPolarHBondContact CZ2-O 3.29Å; W77-L153 HydrophobicContact CH2-CD2 3.66Å; W77-L153 HydrophobicContact CH2-CG 3.94Å; W77-L153 HydrophobicContact CZ2-CD2 3.98Å; W77-L153 HydrophobicContact CZ2-CG 4.26Å |
| 78 | R | 92.3 | Very high | 95 | Very high | 66 Ų | 66 | 35.2 Ų | 35.2 | 25% | 0.249 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -41.5 | 179 | -176 | 58 | 57.9 | 65.4 | 10.8 | 112 | G17 V20 I74 P75 R76 V80 S81 T82 | G17-R78 PolarHBondContact O-NH1 3.26Å; G17-R78 PolarHBondContact O-NH2 2.79Å; V20-R78 HydrophobicContact CG2-CG 4.18Å; I74-R78 HydrophobicContact CB-CB 4.43Å; I74-R78 HydrophobicContact CD1-CB 4.4Å; I74-R78 HydrophobicContact CD1-CG 4.22Å; P75-R78 HydrophobicContact CB-CB 4.37Å; P75-R78 WeakPolarHBondContact O-CA 3.38Å; P75-R78 WeakPolarHBondContact O-CB 3.26Å; P75-R78 PolarHBondContact O-N 3.42Å; R76-R78 PolarHBondContact O-N 3.39Å; R78-V80 VanDerWaalsContact C-N 3.34Å; R78-S81 WeakPolarHBondContact CA-OG 3.49Å; R78-S81 PolarHBondContact O-OG 2.97Å; R78-T82 VanDerWaalsContact O-CB 3.31Å; R78-T82 WeakPolarHBondContact O-CB 3.32Å; R78-T82 PolarHBondContact O-N 3.39Å; R78-T82 PolarHBondContact O-OG1 3.39Å |
| 79 | F | 95.3 | Very high | 95 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.9 | 177.2 | -100.4 | 0 | 0 | 0 | 110.8 | V24 F27 V54 V55 I71 I74 P75 R76 T82 A83 | V24-F79 HydrophobicContact CG1-CD2 3.76Å; V24-F79 HydrophobicContact CG1-CE2 3.87Å; F27-F79 HydrophobicContact CE1-CZ 4.17Å; V54-F79 HydrophobicContact CG1-CE1 3.96Å; V54-F79 HydrophobicContact CG1-CZ 3.65Å; V55-F79 HydrophobicContact CG2-CE1 4.09Å; V55-F79 HydrophobicContact CG2-CZ 4.42Å; I71-F79 HydrophobicContact CD1-CD2 4.46Å; I71-F79 HydrophobicContact CD1-CE2 3.85Å; I71-F79 HydrophobicContact CD1-CZ 4.19Å; I71-F79 HydrophobicContact CG1-CD2 3.98Å; I71-F79 HydrophobicContact CG1-CE2 3.82Å; I71-F79 HydrophobicContact CG2-CD2 4.01Å; I71-F79 HydrophobicContact CG2-CE2 4.37Å; I71-F79 HydrophobicContact CG2-CG 4.11Å; I74-F79 HydrophobicContact CD1-CB 4.04Å; P75-F79 PolarHBondContact O-N 3.01Å; R76-F79 PolarHBondContact O-N 3.02Å; F79-T82 PolarHBondContact O-N 2.86Å; F79-A83 WeakPolarHBondContact O-CB 3.26Å; F79-A83 PolarHBondContact O-N 2.89Å |
| 80 | V | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61 | -54.6 | -179.9 | 170.6 | 0 | 0 | 0 | 0 | 112 | R76 W77 R78 T82 A83 F84 W120 L121 | R76-V80 WeakPolarHBondContact O-CG2 3.32Å; R76-V80 PolarHBondContact O-N 3.04Å; W77-V80 HydrophobicContact CE3-CB 4.24Å; W77-V80 HydrophobicContact CE3-CG1 3.97Å; W77-V80 HydrophobicContact CZ3-CG1 3.77Å; W77-V80 PolarHBondContact O-N 3.3Å; R78-V80 VanDerWaalsContact C-N 3.34Å; V80-T82 PolarHBondContact O-N 3.11Å; V80-A83 WeakPolarHBondContact O-CB 3.45Å; V80-A83 PolarHBondContact O-N 3.47Å; V80-F84 PolarHBondContact O-N 3.24Å; V80-F84 VanDerWaalsContact O-N 3.08Å; V80-W120 HydrophobicContact CG1-CH2 4.35Å; V80-W120 HydrophobicContact CG1-CZ3 4.05Å; V80-W120 HydrophobicContact CG2-CH2 4.01Å; V80-W120 HydrophobicContact CG2-CZ3 4.22Å; V80-L121 HydrophobicContact CG1-CD2 3.46Å; V80-L121 VanDerWaalsContact CG1-CD2 3.46Å |
| 81 | S | 93.5 | Very high | 95.1 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -25.6 | 177.7 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | W77 R78 | W77-S81 WeakPolarHBondContact O-CB 3.4Å; W77-S81 PolarHBondContact O-N 3.5Å; W77-S81 PolarHBondContact O-OG 3.21Å; R78-S81 WeakPolarHBondContact CA-OG 3.49Å; R78-S81 PolarHBondContact O-OG 2.97Å |
| 82 | T | 94.6 | Very high | 95.1 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77 | -34.6 | 171.2 | -51.6 | 0 | 0 | 0 | 0 | 112 | V20 L28 R78 F79 V80 P85 H86 | V20-T82 HydrophobicContact CG1-CG2 4.28Å; V20-T82 HydrophobicContact CG2-CG2 4.09Å; V20-T82 WeakPolarHBondContact CG2-OG1 3.3Å; L28-T82 HydrophobicContact CD1-CG2 3.81Å; R78-T82 VanDerWaalsContact O-CB 3.31Å; R78-T82 WeakPolarHBondContact O-CB 3.32Å; R78-T82 PolarHBondContact O-N 3.39Å; R78-T82 PolarHBondContact O-OG1 3.39Å; F79-T82 PolarHBondContact O-N 2.86Å; V80-T82 PolarHBondContact O-N 3.11Å; T82-P85 WeakPolarHBondContact O-CD 3.34Å; T82-P85 WeakPolarHBondContact O-CG 3.45Å; T82-H86 PolarHBondContact O-CD2 3.45Å |
| 83 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.2 | -29.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L28 V55 F79 V80 H86 I87 | L28-A83 HydrophobicContact CD1-CB 4.48Å; L28-A83 HydrophobicContact CD2-CB 3.84Å; V55-A83 HydrophobicContact CG1-CB 4Å; V55-A83 HydrophobicContact CG2-CB 3.86Å; F79-A83 WeakPolarHBondContact O-CB 3.26Å; F79-A83 PolarHBondContact O-N 2.89Å; V80-A83 WeakPolarHBondContact O-CB 3.45Å; V80-A83 PolarHBondContact O-N 3.47Å; A83-H86 WeakPolarHBondContact O-CA 3.32Å; A83-H86 VanDerWaalsContact O-CB 3.32Å; A83-H86 WeakPolarHBondContact O-CB 3.49Å; A83-H86 PolarHBondContact O-N 2.9Å; A83-I87 PolarHBondContact O-N 2.73Å; A83-I87 VanDerWaalsContact O-N 3.13Å |
| 84 | F | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -44.8 | -56.6 | -177.9 | -172.6 | -82.5 | 0 | 0 | 0 | 115.6 | V80 H86 I87 V88 L118 L121 V122 L153 S157 I158 F161 | V80-F84 PolarHBondContact O-N 3.24Å; V80-F84 VanDerWaalsContact O-N 3.08Å; F84-H86 PolarHBondContact O-N 3.18Å; F84-I87 PolarHBondContact O-N 3.45Å; F84-I87 VanDerWaalsContact O-N 3.08Å; F84-V88 HydrophobicContact CD1-CG2 3.86Å; F84-V88 HydrophobicContact CE1-CG2 3.44Å; F84-V88 VanDerWaalsContact CE1-CG2 3.44Å; F84-V88 HydrophobicContact CZ-CG2 3.95Å; F84-V88 PolarHBondContact O-N 3.42Å; F84-L118 HydrophobicContact CE2-CD1 4.33Å; F84-L118 HydrophobicContact CZ-CD1 4.43Å; F84-L121 HydrophobicContact CD2-CB 3.92Å; F84-L121 HydrophobicContact CD2-CD1 4.1Å; F84-L121 HydrophobicContact CD2-CD2 4.28Å; F84-L121 HydrophobicContact CD2-CG 4.35Å; F84-L121 HydrophobicContact CE2-CB 4.22Å; F84-V122 HydrophobicContact CE2-CG2 3.97Å; F84-V122 HydrophobicContact CZ-CG2 4.4Å; F84-L153 HydrophobicContact CB-CD2 4.06Å; F84-L153 HydrophobicContact CD2-CD1 3.54Å; F84-L153 HydrophobicContact CD2-CD2 3.78Å; F84-L153 HydrophobicContact CD2-CG 4.33Å; F84-L153 HydrophobicContact CE1-CD1 4.49Å; F84-L153 HydrophobicContact CE2-CD1 3.32Å; F84-L153 HydrophobicContact CE2-CD2 4.43Å; F84-L153 HydrophobicContact CG-CD1 4.25Å; F84-L153 HydrophobicContact CG-CD2 3.94Å; F84-L153 HydrophobicContact CZ-CD1 3.84Å; F84-S157 WeakPolarHBondContact CE1-O 3.48Å; F84-I158 HydrophobicContact CZ-CD1 4.35Å; F84-F161 HydrophobicContact CE1-CB 4.22Å; F84-F161 HydrophobicContact CZ-CB 4.34Å; F84-F161 AromaticContact CZ-CD2 3.94Å; F84-F161 HydrophobicContact CZ-CD2 3.94Å |
| 85 | P | 95.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 18.8 Ų | 18.8 | 20% | 0.201 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.1 | -30.2 | -179.9 | 24 | -36 | 0 | 0 | 0 | 113.5 | T82 H89 L160 | T82-P85 WeakPolarHBondContact O-CD 3.34Å; T82-P85 WeakPolarHBondContact O-CG 3.45Å; P85-H89 PolarHBondContact O-CD2 3.37Å; P85-H89 PolarHBondContact O-N 3.47Å; P85-H89 VanDerWaalsContact O-N 3.11Å; P85-L160 HydrophobicContact CB-CD2 3.52Å |
| 86 | H | 97.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 17.9 Ų | 17.9 | 17% | 0.171 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 174.9 | -65.4 | -87 | 0 | 0 | 0 | 111.4 | T32 F51 T82 A83 F84 H89 C90 | T32-H86 WeakPolarHBondContact OG1-CB 3.14Å; T32-H86 PolarHBondContact OG1-ND1 2.73Å; F51-H86 HydrophobicContact CE1-CB 4.42Å; F51-H86 HydrophobicContact CZ-CB 4.22Å; T82-H86 PolarHBondContact O-CD2 3.45Å; A83-H86 WeakPolarHBondContact O-CA 3.32Å; A83-H86 VanDerWaalsContact O-CB 3.32Å; A83-H86 WeakPolarHBondContact O-CB 3.49Å; A83-H86 PolarHBondContact O-N 2.9Å; F84-H86 PolarHBondContact O-N 3.18Å; H86-H89 PolarHBondContact O-N 3.03Å; H86-C90 PolarHBondContact O-N 2.98Å; H86-C90 PolarHBondContact O-SG 3.39Å |
| 87 | I | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 175.9 | -58.1 | -56 | 0 | 0 | 0 | 111.3 | F51 A83 F84 H89 C90 C91 M114 V117 L118 L121 | F51-I87 HydrophobicContact CB-CD1 3.74Å; F51-I87 HydrophobicContact CD1-CD1 3.46Å; F51-I87 VanDerWaalsContact CD1-CD1 3.46Å; F51-I87 HydrophobicContact CD2-CD1 3.74Å; F51-I87 HydrophobicContact CE1-CD1 3.83Å; F51-I87 HydrophobicContact CE2-CD1 4.09Å; F51-I87 HydrophobicContact CG-CD1 3.4Å; F51-I87 VanDerWaalsContact CG-CD1 3.4Å; F51-I87 HydrophobicContact CZ-CD1 4.11Å; A83-I87 PolarHBondContact O-N 2.73Å; A83-I87 VanDerWaalsContact O-N 3.13Å; F84-I87 PolarHBondContact O-N 3.45Å; F84-I87 VanDerWaalsContact O-N 3.08Å; I87-H89 VanDerWaalsContact C-N 3.34Å; I87-H89 PolarHBondContact O-N 3.45Å; I87-C90 PolarHBondContact O-N 3.4Å; I87-C90 VanDerWaalsContact O-N 3.15Å; I87-C91 PolarHBondContact O-N 3.13Å; I87-C91 PolarHBondContact O-SG 3.39Å; I87-M114 HydrophobicContact CD1-SD 4.5Å; I87-V117 HydrophobicContact CD1-CG1 3.87Å; I87-V117 HydrophobicContact CG1-CG1 3.93Å; I87-V117 HydrophobicContact CG2-CB 4.43Å; I87-V117 HydrophobicContact CG2-CG1 4.11Å; I87-L118 HydrophobicContact CG2-CB 4.06Å; I87-L118 HydrophobicContact CG2-CD1 4.38Å; I87-L121 HydrophobicContact CB-CD1 3.82Å; I87-L121 HydrophobicContact CG1-CD1 3.63Å; I87-L121 HydrophobicContact CG2-CD1 4.03Å |
| 88 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | F84 C90 C91 A92 L118 L160 F161 M164 L165 | F84-V88 HydrophobicContact CD1-CG2 3.86Å; F84-V88 HydrophobicContact CE1-CG2 3.44Å; F84-V88 VanDerWaalsContact CE1-CG2 3.44Å; F84-V88 HydrophobicContact CZ-CG2 3.95Å; F84-V88 PolarHBondContact O-N 3.42Å; V88-C90 PolarHBondContact O-N 2.99Å; V88-C91 PolarHBondContact O-N 3.08Å; V88-A92 WeakPolarHBondContact O-CB 3.34Å; V88-A92 PolarHBondContact O-N 2.91Å; V88-L118 HydrophobicContact CG2-CD1 3.99Å; V88-L160 HydrophobicContact CG1-CD2 4.47Å; V88-L160 HydrophobicContact CG1-CG 4.15Å; V88-F161 HydrophobicContact CG2-CB 4.25Å; V88-F161 HydrophobicContact CG2-CD2 4.19Å; V88-M164 HydrophobicContact CG1-CB 3.81Å; V88-M164 HydrophobicContact CG1-CG 4.18Å; V88-L165 HydrophobicContact CG1-CD1 4.31Å; V88-L165 HydrophobicContact CG1-CG 4.33Å |
| 89 | H | 96 | Very high | 94.8 | Very high | 64 Ų | 64 | 22.2 Ų | 22.2 | 30% | 0.296 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.6 | -79.9 | -59.2 | 0 | 0 | 0 | 113.1 | T32 P85 H86 I87 A93 | T32-H89 HydrophobicContact CG2-CB 4.25Å; P85-H89 PolarHBondContact O-CD2 3.37Å; P85-H89 PolarHBondContact O-N 3.47Å; P85-H89 VanDerWaalsContact O-N 3.11Å; H86-H89 PolarHBondContact O-N 3.03Å; I87-H89 VanDerWaalsContact C-N 3.34Å; I87-H89 PolarHBondContact O-N 3.45Å; H89-A93 WeakPolarHBondContact O-CB 3.26Å; H89-A93 PolarHBondContact O-N 3Å |
| 90 | C | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 178.2 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | F35 H86 I87 V88 L94 M114 | F35-C90 HydrophobicContact CD1-CB 4.04Å; F35-C90 HydrophobicContact CD2-CB 4.09Å; F35-C90 WeakPolarHBondContact CD2-SG 3.3Å; F35-C90 HydrophobicContact CE1-CB 4.03Å; F35-C90 HydrophobicContact CE2-CB 4.09Å; F35-C90 VanDerWaalsContact CE2-SG 3.57Å; F35-C90 HydrophobicContact CG-CB 4.06Å; F35-C90 HydrophobicContact CZ-CB 4.05Å; H86-C90 PolarHBondContact O-N 2.98Å; H86-C90 PolarHBondContact O-SG 3.39Å; I87-C90 PolarHBondContact O-N 3.4Å; I87-C90 VanDerWaalsContact O-N 3.15Å; V88-C90 PolarHBondContact O-N 2.99Å; C90-L94 WeakPolarHBondContact O-CG 3.3Å; C90-L94 PolarHBondContact O-N 3.18Å; C90-L94 VanDerWaalsContact O-N 3.17Å; C90-M114 HydrophobicContact CB-SD 4.41Å |
| 91 | C | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -49.4 | 174.5 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | I87 V88 A93 L94 L95 M114 L115 L118 L165 | I87-C91 PolarHBondContact O-N 3.13Å; I87-C91 PolarHBondContact O-SG 3.39Å; V88-C91 PolarHBondContact O-N 3.08Å; C91-A93 VanDerWaalsContact C-N 3.34Å; C91-A93 PolarHBondContact O-N 3.22Å; C91-L94 PolarHBondContact O-N 3.11Å; C91-L95 WeakPolarHBondContact O-CG 3.34Å; C91-L95 PolarHBondContact O-N 3.42Å; C91-M114 PolarHBondContact SG-O 3.37Å; C91-M114 VanDerWaalsContact SG-O 3.37Å; C91-L115 HydrophobicContact CB-CD2 4.43Å; C91-L118 HydrophobicContact CB-CD2 4.31Å; C91-L165 HydrophobicContact CB-CD2 3.94Å |
| 92 | A | 95.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V88 L95 S96 M164 L165 L168 | V88-A92 WeakPolarHBondContact O-CB 3.34Å; V88-A92 PolarHBondContact O-N 2.91Å; A92-L95 PolarHBondContact O-N 2.99Å; A92-S96 PolarHBondContact O-N 3.49Å; A92-S96 PolarHBondContact O-OG 3.32Å; A92-S96 VanDerWaalsContact O-OG 3.13Å; A92-M164 HydrophobicContact CB-CB 3.96Å; A92-M164 HydrophobicContact CB-CE 3.6Å; A92-L165 HydrophobicContact CB-CD2 3.86Å; A92-L168 HydrophobicContact CB-CD1 4.09Å; A92-L168 VanDerWaalsContact O-CD1 3.3Å; A92-L168 WeakPolarHBondContact O-CD1 3.4Å |
| 93 | A | 94.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F35 I40 H89 C91 L95 S96 E97 | F35-A93 HydrophobicContact CB-CB 3.88Å; F35-A93 HydrophobicContact CD1-CB 4.29Å; I40-A93 HydrophobicContact CD1-CB 4.02Å; H89-A93 WeakPolarHBondContact O-CB 3.26Å; H89-A93 PolarHBondContact O-N 3Å; C91-A93 VanDerWaalsContact C-N 3.34Å; C91-A93 PolarHBondContact O-N 3.22Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.8Å; A93-S96 PolarHBondContact O-N 3.47Å; A93-E97 PolarHBondContact O-N 3.24Å |
| 94 | L | 94.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -30.5 | 179.2 | -72.7 | 167.5 | 0 | 0 | 0 | 113.1 | F35 I40 C90 C91 R98 L111 M114 | F35-L94 HydrophobicContact CD1-CG 4.16Å; F35-L94 HydrophobicContact CE1-CD1 3.8Å; F35-L94 HydrophobicContact CE1-CD2 4.19Å; F35-L94 HydrophobicContact CE1-CG 3.85Å; I40-L94 HydrophobicContact CD1-CD2 3.84Å; I40-L94 HydrophobicContact CD1-CG 4.19Å; C90-L94 WeakPolarHBondContact O-CG 3.3Å; C90-L94 PolarHBondContact O-N 3.18Å; C90-L94 VanDerWaalsContact O-N 3.17Å; C91-L94 PolarHBondContact O-N 3.11Å; L94-R98 PolarHBondContact O-N 2.9Å; L94-L111 HydrophobicContact CB-CB 4.27Å; L94-L111 HydrophobicContact CB-CD1 3.83Å; L94-L111 HydrophobicContact CD1-CB 4.41Å; L94-M114 HydrophobicContact CD1-CB 4.08Å; L94-M114 HydrophobicContact CD1-CG 3.79Å |
| 95 | L | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.2 | -40.8 | 173.1 | -70.4 | 169.2 | 0 | 0 | 0 | 111.6 | C91 A92 A93 R98 L99 L111 L165 L168 C171 V172 | C91-L95 WeakPolarHBondContact O-CG 3.34Å; C91-L95 PolarHBondContact O-N 3.42Å; A92-L95 PolarHBondContact O-N 2.99Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 2.8Å; L95-R98 WeakPolarHBondContact O-CB 3.49Å; L95-R98 PolarHBondContact O-N 3.48Å; L95-R98 VanDerWaalsContact O-N 3.12Å; L95-L99 PolarHBondContact O-N 3.21Å; L95-L111 HydrophobicContact CD2-CD1 3.94Å; L95-L111 HydrophobicContact CD2-CD2 3.91Å; L95-L111 HydrophobicContact CG-CD1 4Å; L95-L165 HydrophobicContact CD1-CD2 3.86Å; L95-L168 HydrophobicContact CB-CB 4.07Å; L95-L168 HydrophobicContact CB-CD1 3.91Å; L95-L168 HydrophobicContact CD1-CB 4.34Å; L95-C171 HydrophobicContact CB-CB 4.32Å; L95-C171 HydrophobicContact CD2-CB 3.94Å; L95-V172 HydrophobicContact CD2-CG2 3.49Å; L95-V172 VanDerWaalsContact CD2-CG2 3.49Å |
| 96 | S | 92.5 | Very high | 86.7 | Confident | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 172.2 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | A92 A93 R98 L99 D100 L168 | A92-S96 PolarHBondContact O-N 3.49Å; A92-S96 PolarHBondContact O-OG 3.32Å; A92-S96 VanDerWaalsContact O-OG 3.13Å; A93-S96 PolarHBondContact O-N 3.47Å; S96-R98 VanDerWaalsContact C-N 3.27Å; S96-R98 PolarHBondContact O-N 3.26Å; S96-L99 WeakPolarHBondContact O-CB 3.14Å; S96-L99 PolarHBondContact O-N 2.99Å; S96-L99 VanDerWaalsContact O-N 3.13Å; S96-D100 PolarHBondContact O-N 2.91Å; S96-D100 VanDerWaalsContact O-N 3.09Å; S96-L168 WeakPolarHBondContact OG-CD1 3.4Å |
| 97 | E | 90.1 | Very high | 86.4 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -30.2 | 173.3 | -174.9 | 171.2 | -117.2 | 0 | 0 | 112.2 | I40 A93 S101 | I40-E97 HydrophobicContact CD1-CB 3.94Å; A93-E97 PolarHBondContact O-N 3.24Å; E97-S101 WeakPolarHBondContact O-CB 3.38Å |
| 98 | R | 89.9 | Confident | 86 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 18% | 0.177 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.7 | -36.3 | 170.9 | -160.5 | -173 | -169 | -170.7 | 6.7 | 111.9 | L94 L95 S96 S101 G105 L107 C171 D176 | L94-R98 PolarHBondContact O-N 2.9Å; L95-R98 WeakPolarHBondContact O-CB 3.49Å; L95-R98 PolarHBondContact O-N 3.48Å; L95-R98 VanDerWaalsContact O-N 3.12Å; S96-R98 VanDerWaalsContact C-N 3.27Å; S96-R98 PolarHBondContact O-N 3.26Å; R98-S101 WeakPolarHBondContact O-CB 3.47Å; R98-S101 PolarHBondContact O-N 3.43Å; R98-G105 PolarHBondContact NH2-O 3.28Å; R98-L107 VanDerWaalsContact NH1-CD2 3.33Å; R98-C171 WeakPolarHBondContact CD-O 3.04Å; R98-C171 PolarHBondContact NH1-O 2.89Å; R98-D176 IonicContact CZ-OD1 3.66Å; R98-D176 IonicContact CZ-OD2 3.38Å; R98-D176 IonicContact NH1-OD1 3.24Å; R98-D176 IonicContact NH1-OD2 2.7Å; R98-D176 PolarHBondContact NH1-OD2 3.31Å; R98-D176 VanDerWaalsContact NH2-CG 3.3Å; R98-D176 IonicContact NH2-OD1 2.81Å; R98-D176 PolarHBondContact NH2-OD1 3.07Å; R98-D176 IonicContact NH2-OD2 3.06Å; R98-D176 PolarHBondContact NH2-OD2 3.39Å |
| 99 | L | 87 | Confident | 85.8 | Confident | 84 Ų | 84 | 71 Ų | 71 | 44% | 0.44 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 178.7 | -176.8 | 53.1 | 0 | 0 | 0 | 112.8 | L95 S96 S101 L168 Y170 | L95-L99 PolarHBondContact O-N 3.21Å; S96-L99 WeakPolarHBondContact O-CB 3.14Å; S96-L99 PolarHBondContact O-N 2.99Å; S96-L99 VanDerWaalsContact O-N 3.13Å; L99-S101 PolarHBondContact O-N 2.91Å; L99-L168 HydrophobicContact CD2-CD2 4.07Å; L99-Y170 HydrophobicContact CD1-CE2 3.83Å; L99-Y170 HydrophobicContact CD2-CE2 4.36Å |
| 100 | D | 81.5 | Confident | 85.7 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 80% | 0.797 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -4.8 | 175.4 | -77.4 | -18.1 | 0 | 0 | 0 | 113.5 | S96 | S96-D100 PolarHBondContact O-N 2.91Å; S96-D100 VanDerWaalsContact O-N 3.09Å |
| 101 | S | 79.9 | Confident | 85.6 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 43% | 0.434 | 36% | 0.361 | S | S | . | . | trans | -102.4 | 114.8 | -173.8 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | E97 R98 L99 Q103 | E97-S101 WeakPolarHBondContact O-CB 3.38Å; R98-S101 WeakPolarHBondContact O-CB 3.47Å; R98-S101 PolarHBondContact O-N 3.43Å; L99-S101 PolarHBondContact O-N 2.91Å; S101-Q103 PolarHBondContact O-N 3.09Å | ||
| 102 | E | 60.5 | Low | 85.6 | Confident | 195 Ų | 195 | 71.2 Ų | 71.2 | 91% | 0.911 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -65 | 3.9 | 179.1 | -60.5 | -172.5 | 143.7 | 0 | 0 | 115 | P104 | E102-P104 VanDerWaalsContact O-CD 3.22Å; E102-P104 WeakPolarHBondContact O-CD 3.38Å |
| 103 | Q | 60.8 | Low | 85.6 | Confident | 153 Ų | 153 | 73.3 Ų | 73.3 | 72% | 0.715 | 38% | 0.383 | S | S | * | . | trans | -100.8 | 105 | 178.5 | -65.1 | -166.4 | 11.2 | 0 | 0 | 111.7 | S101 G105 | S101-Q103 PolarHBondContact O-N 3.09Å; Q103-G105 PolarHBondContact O-N 3.03Å | ||
| 104 | P | 62.9 | Low | 85.7 | Confident | 137 Ų | 137 | 72.3 Ų | 72.3 | 89% | 0.89 | 38% | 0.375 | S | S | * | . | trans | -73.8 | 59.4 | 168.5 | 32.9 | -36.5 | 0 | 0 | 0 | 111 | E102 | E102-P104 VanDerWaalsContact O-CD 3.22Å; E102-P104 WeakPolarHBondContact O-CD 3.38Å | ||
| 105 | G | 70.4 | Confident | 85.8 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | trans | -92.5 | 170 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | R98 Q103 | R98-G105 PolarHBondContact NH2-O 3.28Å; Q103-G105 PolarHBondContact O-N 3.03Å | ||
| 106 | R | 82.3 | Confident | 86 | Confident | 198 Ų | 198 | 75 Ų | 75 | 75% | 0.747 | 39% | 0.385 | S | S | * | . | trans | -54.5 | 151.8 | 174.9 | -66.9 | -179.9 | 165 | -170 | -10.4 | 112 | S108 E179 | R106-S108 PolarHBondContact O-N 2.97Å; R106-E179 IonicContact CZ-OE2 3.51Å; R106-E179 IonicContact NE-OE2 2.83Å; R106-E179 IonicContact NH2-OE2 2.73Å; R106-E179 PolarHBondContact NH2-OE2 3.38Å | ||
| 107 | L | 90.4 | Very high | 86.2 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | trans | -42.5 | 134.3 | 171.1 | -61.5 | 174.4 | 0 | 0 | 0 | 112.3 | R98 L111 Q112 L115 D176 L183 | R98-L107 VanDerWaalsContact NH1-CD2 3.33Å; L107-L111 HydrophobicContact CD2-CD2 3.49Å; L107-L111 VanDerWaalsContact CD2-CD2 3.49Å; L107-L111 HydrophobicContact CD2-CG 3.97Å; L107-Q112 HydrophobicContact CB-CG 3.52Å; L107-Q112 HydrophobicContact CD1-CG 4.01Å; L107-Q112 HydrophobicContact CG-CG 4.44Å; L107-Q112 PolarHBondContact O-NE2 3.27Å; L107-L115 HydrophobicContact CD1-CD1 4.17Å; L107-L115 HydrophobicContact CD2-CD1 4.44Å; L107-D176 HydrophobicContact CD1-CB 3.89Å; L107-D176 WeakPolarHBondContact CD1-O 3.5Å; L107-D176 HydrophobicContact CD2-CB 4.1Å; L107-D176 HydrophobicContact CG-CB 3.75Å; L107-D176 PolarHBondContact N-OD1 3.37Å; L107-L183 HydrophobicContact CD1-CD1 3.54Å | ||
| 108 | S | 91.2 | Very high | 86.6 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | trans | -63.3 | 153.4 | 172.8 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | R106 S110 L111 Q112 | R106-S108 PolarHBondContact O-N 2.97Å; S108-S110 PolarHBondContact O-N 3.18Å; S108-L111 PolarHBondContact O-N 3.47Å; S108-L111 WeakPolarHBondContact OG-CB 3.38Å; S108-L111 PolarHBondContact OG-N 3.23Å; S108-Q112 WeakPolarHBondContact O-CG 3.32Å; S108-Q112 PolarHBondContact O-N 2.95Å | ||
| 109 | Q | 92.6 | Very high | 86.9 | Confident | 141 Ų | 141 | 67 Ų | 67 | 66% | 0.659 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.5 | -32.3 | -179.3 | -65.4 | -170.2 | 19 | 0 | 0 | 112.8 | K113 | Q109-K113 VanDerWaalsContact O-CG 3.29Å; Q109-K113 WeakPolarHBondContact O-CG 3.45Å; Q109-K113 PolarHBondContact O-N 2.79Å; Q109-K113 VanDerWaalsContact O-N 3.12Å |
| 110 | S | 94.7 | Very high | 87.3 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 173.4 | -60 | 0 | 0 | 0 | 0 | 111.8 | H44 S108 K113 M114 | H44-S110 PolarHBondContact CD2-OG 3.41Å; H44-S110 VanDerWaalsContact CD2-OG 3.26Å; H44-S110 VanDerWaalsContact NE2-CB 3.28Å; H44-S110 WeakPolarHBondContact NE2-CB 3.45Å; H44-S110 PolarHBondContact NE2-OG 2.65Å; S108-S110 PolarHBondContact O-N 3.18Å; S110-K113 PolarHBondContact O-N 2.96Å; S110-M114 WeakPolarHBondContact O-CG 3.37Å; S110-M114 PolarHBondContact O-N 3.4Å |
| 111 | L | 95 | Very high | 88 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 178 | -178.2 | 56.8 | 0 | 0 | 0 | 111.5 | L94 L95 L107 S108 K113 M114 L115 | L94-L111 HydrophobicContact CB-CB 4.27Å; L94-L111 HydrophobicContact CB-CD1 3.83Å; L94-L111 HydrophobicContact CD1-CB 4.41Å; L95-L111 HydrophobicContact CD2-CD1 3.94Å; L95-L111 HydrophobicContact CD2-CD2 3.91Å; L95-L111 HydrophobicContact CG-CD1 4Å; L107-L111 HydrophobicContact CD2-CD2 3.49Å; L107-L111 VanDerWaalsContact CD2-CD2 3.49Å; L107-L111 HydrophobicContact CD2-CG 3.97Å; S108-L111 PolarHBondContact O-N 3.47Å; S108-L111 WeakPolarHBondContact OG-CB 3.38Å; S108-L111 PolarHBondContact OG-N 3.23Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 2.85Å; L111-M114 PolarHBondContact O-N 3.29Å; L111-L115 HydrophobicContact CD1-CD1 4.19Å; L111-L115 HydrophobicContact CD1-CD2 4.05Å; L111-L115 HydrophobicContact CD1-CG 3.82Å; L111-L115 HydrophobicContact CG-CD1 4.28Å; L111-L115 HydrophobicContact CG-CG 4.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.27Å |
| 112 | Q | 95.2 | Very high | 88.7 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 173.3 | -66.5 | -179.8 | 28.2 | 0 | 0 | 112.2 | L107 S108 Y116 N180 | L107-Q112 HydrophobicContact CB-CG 3.52Å; L107-Q112 HydrophobicContact CD1-CG 4.01Å; L107-Q112 HydrophobicContact CG-CG 4.44Å; L107-Q112 PolarHBondContact O-NE2 3.27Å; S108-Q112 WeakPolarHBondContact O-CG 3.32Å; S108-Q112 PolarHBondContact O-N 2.95Å; Q112-Y116 WeakPolarHBondContact O-CB 3.2Å; Q112-Y116 PolarHBondContact O-N 2.88Å; Q112-N180 PolarHBondContact OE1-ND2 2.71Å; Q112-N180 VanDerWaalsContact OE1-ND2 3.1Å |
| 113 | K | 96.1 | Very high | 90.2 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 177.4 | -71.6 | 169.3 | -175 | 162.3 | 0 | 112.2 | C48 V49 E52 Q109 S110 L111 Y116 V117 | C48-K113 HydrophobicContact CB-CB 4.3Å; C48-K113 HydrophobicContact CB-CD 4.36Å; V49-K113 HydrophobicContact CG2-CD 4.17Å; E52-K113 WeakPolarHBondContact OE2-CG 3.29Å; Q109-K113 VanDerWaalsContact O-CG 3.29Å; Q109-K113 WeakPolarHBondContact O-CG 3.45Å; Q109-K113 PolarHBondContact O-N 2.79Å; Q109-K113 VanDerWaalsContact O-N 3.12Å; S110-K113 PolarHBondContact O-N 2.96Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 2.85Å; K113-Y116 PolarHBondContact O-N 3.21Å; K113-V117 WeakPolarHBondContact O-CG2 3.43Å; K113-V117 PolarHBondContact O-N 3.45Å |
| 114 | M | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.3 | -36 | -178.9 | -63.1 | -62.9 | 81.4 | 0 | 0 | 112.9 | C48 F51 I87 C90 C91 L94 S110 L111 V117 L118 | C48-M114 VanDerWaalsContact CA-CE 3.49Å; C48-M114 HydrophobicContact CB-CE 3.8Å; C48-M114 HydrophobicContact CB-CG 4.23Å; C48-M114 HydrophobicContact CB-SD 4.1Å; C48-M114 VanDerWaalsContact O-CE 3.26Å; C48-M114 WeakPolarHBondContact O-CE 3.48Å; C48-M114 WeakPolarHBondContact SG-CG 3.44Å; F51-M114 HydrophobicContact CB-CE 3.97Å; F51-M114 HydrophobicContact CB-SD 4.36Å; F51-M114 HydrophobicContact CD2-SD 3.95Å; I87-M114 HydrophobicContact CD1-SD 4.5Å; C90-M114 HydrophobicContact CB-SD 4.41Å; C91-M114 PolarHBondContact SG-O 3.37Å; C91-M114 VanDerWaalsContact SG-O 3.37Å; L94-M114 HydrophobicContact CD1-CB 4.08Å; L94-M114 HydrophobicContact CD1-CG 3.79Å; S110-M114 WeakPolarHBondContact O-CG 3.37Å; S110-M114 PolarHBondContact O-N 3.4Å; L111-M114 PolarHBondContact O-N 3.29Å; M114-V117 HydrophobicContact CE-CB 4.21Å; M114-V117 HydrophobicContact CE-CG2 3.8Å; M114-V117 PolarHBondContact O-N 2.78Å; M114-L118 VanDerWaalsContact O-CB 3.3Å; M114-L118 WeakPolarHBondContact O-CB 3.49Å; M114-L118 PolarHBondContact O-N 3.22Å |
| 115 | L | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 169.1 | -65.2 | -169.8 | 0 | 0 | 0 | 111.6 | C91 L107 L111 V117 L118 H119 V172 I177 L183 W190 | C91-L115 HydrophobicContact CB-CD2 4.43Å; L107-L115 HydrophobicContact CD1-CD1 4.17Å; L107-L115 HydrophobicContact CD2-CD1 4.44Å; L111-L115 HydrophobicContact CD1-CD1 4.19Å; L111-L115 HydrophobicContact CD1-CD2 4.05Å; L111-L115 HydrophobicContact CD1-CG 3.82Å; L111-L115 HydrophobicContact CG-CD1 4.28Å; L111-L115 HydrophobicContact CG-CG 4.27Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.27Å; L115-V117 PolarHBondContact O-N 2.91Å; L115-L118 HydrophobicContact CD2-CD2 4.4Å; L115-L118 WeakPolarHBondContact O-CB 3.15Å; L115-L118 PolarHBondContact O-N 3.28Å; L115-H119 WeakPolarHBondContact O-CB 3.14Å; L115-H119 PolarHBondContact O-N 2.99Å; L115-H119 PolarHBondContact O-ND1 2.83Å; L115-V172 HydrophobicContact CD1-CG2 4.19Å; L115-I177 HydrophobicContact CD1-CD1 4.27Å; L115-L183 HydrophobicContact CB-CD1 4.48Å; L115-L183 HydrophobicContact CB-CD2 3.89Å; L115-W190 HydrophobicContact CD1-CZ2 4.16Å; L115-W190 HydrophobicContact CD2-CZ2 3.9Å |
| 116 | Y | 97.5 | Very high | 94.2 | Very high | 59 Ų | 59 | 36.3 Ų | 36.3 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 174 | 168.8 | -101.6 | 0 | 0 | 0 | 112.7 | E52 V56 Q112 K113 L118 H119 W120 R182 | E52-Y116 HydrophobicContact CG-CD1 4.48Å; E52-Y116 HydrophobicContact CG-CE1 4.42Å; V56-Y116 HydrophobicContact CG1-CE1 4.19Å; V56-Y116 HydrophobicContact CG2-CE1 4.2Å; Q112-Y116 WeakPolarHBondContact O-CB 3.2Å; Q112-Y116 PolarHBondContact O-N 2.88Å; K113-Y116 PolarHBondContact O-N 3.21Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.32Å; Y116-H119 PolarHBondContact O-N 3.36Å; Y116-W120 PolarHBondContact O-N 2.7Å; Y116-R182 HydrophobicContact CD2-CB 4.41Å; Y116-R182 WeakPolarHBondContact CD2-O 3.47Å |
| 117 | V | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 177 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | E52 V55 V56 I87 K113 M114 L115 L121 | E52-V117 HydrophobicContact CB-CG2 3.96Å; E52-V117 HydrophobicContact CG-CG2 4.43Å; V55-V117 HydrophobicContact CB-CG1 4.44Å; V55-V117 HydrophobicContact CG1-CG1 4.38Å; V56-V117 HydrophobicContact CG2-CB 4.25Å; V56-V117 HydrophobicContact CG2-CG1 4.1Å; V56-V117 HydrophobicContact CG2-CG2 3.84Å; I87-V117 HydrophobicContact CD1-CG1 3.87Å; I87-V117 HydrophobicContact CG1-CG1 3.93Å; I87-V117 HydrophobicContact CG2-CB 4.43Å; I87-V117 HydrophobicContact CG2-CG1 4.11Å; K113-V117 WeakPolarHBondContact O-CG2 3.43Å; K113-V117 PolarHBondContact O-N 3.45Å; M114-V117 HydrophobicContact CE-CB 4.21Å; M114-V117 HydrophobicContact CE-CG2 3.8Å; M114-V117 PolarHBondContact O-N 2.78Å; L115-V117 PolarHBondContact O-N 2.91Å; V117-L121 HydrophobicContact CG1-CD1 4.19Å; V117-L121 VanDerWaalsContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CB 3.27Å; V117-L121 VanDerWaalsContact O-CG 3.24Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.08Å |
| 118 | L | 97.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 175 | -177.6 | 65.7 | 0 | 0 | 0 | 112.4 | F84 I87 V88 C91 M114 L115 Y116 L121 V122 F161 L165 | F84-L118 HydrophobicContact CE2-CD1 4.33Å; F84-L118 HydrophobicContact CZ-CD1 4.43Å; I87-L118 HydrophobicContact CG2-CB 4.06Å; I87-L118 HydrophobicContact CG2-CD1 4.38Å; V88-L118 HydrophobicContact CG2-CD1 3.99Å; C91-L118 HydrophobicContact CB-CD2 4.31Å; M114-L118 VanDerWaalsContact O-CB 3.3Å; M114-L118 WeakPolarHBondContact O-CB 3.49Å; M114-L118 PolarHBondContact O-N 3.22Å; L115-L118 HydrophobicContact CD2-CD2 4.4Å; L115-L118 WeakPolarHBondContact O-CB 3.15Å; L115-L118 PolarHBondContact O-N 3.28Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.32Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-V122 WeakPolarHBondContact O-CG2 3.3Å; L118-V122 PolarHBondContact O-N 3.08Å; L118-V122 VanDerWaalsContact O-N 3.08Å; L118-F161 HydrophobicContact CD1-CD2 4.12Å; L118-F161 HydrophobicContact CD1-CE2 4.05Å; L118-F161 HydrophobicContact CD2-CE2 4.02Å; L118-F161 HydrophobicContact CG-CE2 4.23Å; L118-L165 HydrophobicContact CD2-CD1 3.7Å |
| 119 | H | 96.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -51.7 | 176 | -69.1 | 156.3 | 0 | 0 | 0 | 111.1 | L115 Y116 L121 V122 F123 W190 | L115-H119 WeakPolarHBondContact O-CB 3.14Å; L115-H119 PolarHBondContact O-N 2.99Å; L115-H119 PolarHBondContact O-ND1 2.83Å; Y116-H119 PolarHBondContact O-N 3.36Å; H119-L121 PolarHBondContact O-N 2.79Å; H119-V122 PolarHBondContact O-N 3.11Å; H119-F123 WeakPolarHBondContact O-CD2 3.32Å; H119-F123 PolarHBondContact O-N 3.4Å; H119-W190 AromaticContact CE1-CD1 3.99Å; H119-W190 AromaticContact CE1-NE1 3.45Å; H119-W190 PolarHBondContact CE1-NE1 2.75Å; H119-W190 AromaticContact NE2-CD1 3.56Å; H119-W190 AromaticContact NE2-CE2 3.98Å; H119-W190 AromaticContact NE2-NE1 3.03Å; H119-W190 PolarHBondContact NE2-NE1 3.32Å |
| 120 | W | 96.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 2% | 0.023 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.6 | -40.3 | 174.5 | 179.5 | 82.2 | 0 | 0 | 0 | 112.3 | V55 V56 V80 Y116 V122 D124 S125 E128 | V55-W120 HydrophobicContact CG1-CZ3 4.17Å; V55-W120 VanDerWaalsContact O-CH2 3.26Å; V55-W120 WeakPolarHBondContact O-CH2 3.36Å; V55-W120 VanDerWaalsContact O-CZ3 3.23Å; V55-W120 WeakPolarHBondContact O-CZ3 3.41Å; V56-W120 HydrophobicContact CB-CD2 4.12Å; V56-W120 HydrophobicContact CB-CE3 4.26Å; V56-W120 HydrophobicContact CB-CG 4.46Å; V56-W120 HydrophobicContact CG1-CD2 3.83Å; V56-W120 HydrophobicContact CG1-CE3 4.46Å; V56-W120 HydrophobicContact CG1-CG 3.84Å; V56-W120 HydrophobicContact CG2-CB 4.17Å; V56-W120 HydrophobicContact CG2-CD2 3.79Å; V56-W120 HydrophobicContact CG2-CE3 3.71Å; V56-W120 HydrophobicContact CG2-CG 3.98Å; V56-W120 HydrophobicContact CG2-CZ3 4.43Å; V80-W120 HydrophobicContact CG1-CH2 4.35Å; V80-W120 HydrophobicContact CG1-CZ3 4.05Å; V80-W120 HydrophobicContact CG2-CH2 4.01Å; V80-W120 HydrophobicContact CG2-CZ3 4.22Å; Y116-W120 PolarHBondContact O-N 2.7Å; W120-V122 VanDerWaalsContact C-N 3.3Å; W120-V122 PolarHBondContact O-N 3.3Å; W120-D124 WeakPolarHBondContact CA-OD2 3.43Å; W120-D124 HydrophobicContact CG-CB 4.47Å; W120-D124 PolarHBondContact O-N 3.01Å; W120-D124 VanDerWaalsContact O-N 3.13Å; W120-S125 VanDerWaalsContact CH2-CB 3.47Å; W120-S125 VanDerWaalsContact O-CB 3.28Å; W120-S125 WeakPolarHBondContact O-CB 3.4Å; W120-S125 PolarHBondContact O-N 3.1Å; W120-E128 HydrophobicContact CZ2-CB 4.4Å; W120-E128 WeakPolarHBondContact CZ2-OE2 3.24Å; W120-E128 PolarHBondContact NE1-OE1 3.33Å; W120-E128 PolarHBondContact NE1-OE2 3.31Å |
| 121 | L | 96.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -32.8 | 175.2 | -87.4 | 171.1 | 0 | 0 | 0 | 114 | V55 V80 F84 I87 V117 L118 H119 S125 | V55-L121 HydrophobicContact CG1-CD2 4.21Å; V55-L121 HydrophobicContact CG1-CG 4.47Å; V80-L121 HydrophobicContact CG1-CD2 3.46Å; V80-L121 VanDerWaalsContact CG1-CD2 3.46Å; F84-L121 HydrophobicContact CD2-CB 3.92Å; F84-L121 HydrophobicContact CD2-CD1 4.1Å; F84-L121 HydrophobicContact CD2-CD2 4.28Å; F84-L121 HydrophobicContact CD2-CG 4.35Å; F84-L121 HydrophobicContact CE2-CB 4.22Å; I87-L121 HydrophobicContact CB-CD1 3.82Å; I87-L121 HydrophobicContact CG1-CD1 3.63Å; I87-L121 HydrophobicContact CG2-CD1 4.03Å; V117-L121 HydrophobicContact CG1-CD1 4.19Å; V117-L121 VanDerWaalsContact O-CB 3.27Å; V117-L121 WeakPolarHBondContact O-CB 3.27Å; V117-L121 VanDerWaalsContact O-CG 3.24Å; V117-L121 WeakPolarHBondContact O-CG 3.45Å; V117-L121 PolarHBondContact O-N 3.08Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.45Å; H119-L121 PolarHBondContact O-N 2.79Å; L121-S125 WeakPolarHBondContact CA-OG 3.38Å; L121-S125 PolarHBondContact O-OG 3.47Å |
| 122 | V | 94.2 | Very high | 92.8 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -87 | -36.9 | -176.7 | 164.6 | 0 | 0 | 0 | 0 | 112.5 | F84 L118 H119 W120 F161 L189 V201 F204 | F84-V122 HydrophobicContact CE2-CG2 3.97Å; F84-V122 HydrophobicContact CZ-CG2 4.4Å; L118-V122 WeakPolarHBondContact O-CG2 3.3Å; L118-V122 PolarHBondContact O-N 3.08Å; L118-V122 VanDerWaalsContact O-N 3.08Å; H119-V122 PolarHBondContact O-N 3.11Å; W120-V122 VanDerWaalsContact C-N 3.3Å; W120-V122 PolarHBondContact O-N 3.3Å; V122-F161 HydrophobicContact CG2-CE2 4.35Å; V122-L189 HydrophobicContact CG1-CD2 4.13Å; V122-V201 HydrophobicContact CG1-CG1 3.87Å; V122-V201 WeakPolarHBondContact O-CG1 3.33Å; V122-F204 HydrophobicContact CG1-CE2 4.03Å |
| 123 | F | 92.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -65.7 | -175 | -71.1 | -81.9 | 0 | 0 | 0 | 112.9 | H119 S188 L189 V201 | H119-F123 WeakPolarHBondContact O-CD2 3.32Å; H119-F123 PolarHBondContact O-N 3.4Å; F123-S188 WeakPolarHBondContact CZ-OG 3.48Å; F123-L189 HydrophobicContact CE2-CB 3.86Å; F123-L189 HydrophobicContact CE2-CD2 4.33Å; F123-L189 HydrophobicContact CZ-CB 3.8Å; F123-V201 HydrophobicContact CD1-CG1 4.25Å; F123-V201 HydrophobicContact CD1-CG2 4.21Å; F123-V201 HydrophobicContact CE1-CG1 4.33Å; F123-V201 HydrophobicContact CE1-CG2 3.48Å; F123-V201 VanDerWaalsContact CE1-CG2 3.48Å; F123-V201 HydrophobicContact CZ-CG2 3.81Å |
| 124 | D | 92.5 | Very high | 90 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 42% | 0.422 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -31.4 | -163.8 | -44.6 | -79.2 | 0 | 0 | 0 | 113.5 | W120 A126 I127 E128 | W120-D124 WeakPolarHBondContact CA-OD2 3.43Å; W120-D124 HydrophobicContact CG-CB 4.47Å; W120-D124 PolarHBondContact O-N 3.01Å; W120-D124 VanDerWaalsContact O-N 3.13Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.97Å; D124-A126 VanDerWaalsContact O-N 3.13Å; D124-I127 PolarHBondContact O-N 3.32Å; D124-E128 PolarHBondContact O-N 3.45Å |
| 125 | S | 93.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -25 | -162.8 | 77.5 | 0 | 0 | 0 | 0 | 115.2 | W120 L121 C129 | W120-S125 VanDerWaalsContact CH2-CB 3.47Å; W120-S125 VanDerWaalsContact O-CB 3.28Å; W120-S125 WeakPolarHBondContact O-CB 3.4Å; W120-S125 PolarHBondContact O-N 3.1Å; L121-S125 WeakPolarHBondContact CA-OG 3.38Å; L121-S125 PolarHBondContact O-OG 3.47Å; S125-C129 VanDerWaalsContact O-CB 3.31Å; S125-C129 WeakPolarHBondContact O-CB 3.31Å; S125-C129 PolarHBondContact O-N 2.87Å; S125-C129 PolarHBondContact O-SG 3.22Å |
| 126 | A | 90.5 | Very high | 86 | Confident | 19 Ų | 19 | 45 Ų | 45 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W77 D124 A130 Y151 | W77-A126 HydrophobicContact CZ3-CB 4.37Å; D124-A126 VanDerWaalsContact C-N 3.27Å; D124-A126 PolarHBondContact O-N 2.97Å; D124-A126 VanDerWaalsContact O-N 3.13Å; A126-A130 PolarHBondContact O-N 3.34Å; A126-A130 VanDerWaalsContact O-N 3.08Å; A126-Y151 WeakPolarHBondContact O-CD1 3.49Å |
| 127 | I | 87.6 | Confident | 83.5 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 46% | 0.462 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70 | -49.7 | -177.7 | -57.6 | 172.5 | 0 | 0 | 0 | 110 | D124 C129 A130 D131 | D124-I127 PolarHBondContact O-N 3.32Å; I127-C129 PolarHBondContact O-N 3.18Å; I127-A130 PolarHBondContact O-N 3.02Å; I127-D131 PolarHBondContact O-N 2.96Å |
| 128 | E | 90.5 | Very high | 80.8 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 41% | 0.407 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -33 | 178.1 | -78.4 | -170.1 | -145.4 | 0 | 0 | 113.1 | W120 D124 S132 | W120-E128 HydrophobicContact CZ2-CB 4.4Å; W120-E128 WeakPolarHBondContact CZ2-OE2 3.24Å; W120-E128 PolarHBondContact NE1-OE1 3.33Å; W120-E128 PolarHBondContact NE1-OE2 3.31Å; D124-E128 PolarHBondContact O-N 3.45Å; E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.01Å; E128-S132 PolarHBondContact O-OG 3.4Å |
| 129 | C | 91 | Very high | 78.3 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.9 | -39.6 | 174.8 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | W77 S125 I127 S132 E133 Y151 | W77-C129 HydrophobicContact CB-CB 3.92Å; W77-C129 HydrophobicContact CE3-CB 4.21Å; S125-C129 VanDerWaalsContact O-CB 3.31Å; S125-C129 WeakPolarHBondContact O-CB 3.31Å; S125-C129 PolarHBondContact O-N 2.87Å; S125-C129 PolarHBondContact O-SG 3.22Å; I127-C129 PolarHBondContact O-N 3.18Å; C129-S132 WeakPolarHBondContact O-CB 3.2Å; C129-S132 PolarHBondContact O-N 2.81Å; C129-E133 PolarHBondContact O-N 3.41Å; C129-Y151 HydrophobicContact CB-CD1 3.81Å; C129-Y151 HydrophobicContact CB-CE1 3.62Å |
| 130 | A | 86.3 | Confident | 75.8 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A126 I127 S132 E133 N134 Y151 | A126-A130 PolarHBondContact O-N 3.34Å; A126-A130 VanDerWaalsContact O-N 3.08Å; I127-A130 PolarHBondContact O-N 3.02Å; A130-S132 PolarHBondContact O-N 3.08Å; A130-E133 PolarHBondContact O-N 3.5Å; A130-E133 VanDerWaalsContact O-N 3.13Å; A130-N134 VanDerWaalsContact O-CB 3.31Å; A130-N134 WeakPolarHBondContact O-CB 3.49Å; A130-N134 PolarHBondContact O-N 3.28Å; A130-N134 PolarHBondContact O-ND2 2.9Å; A130-Y151 HydrophobicContact CB-CD1 4.35Å; A130-Y151 HydrophobicContact CB-CD2 4.16Å; A130-Y151 HydrophobicContact CB-CE1 4.04Å; A130-Y151 HydrophobicContact CB-CE2 3.87Å; A130-Y151 HydrophobicContact CB-CG 4.42Å |
| 131 | D | 81.5 | Confident | 73.5 | Confident | 111 Ų | 111 | 80.3 Ų | 80.3 | 59% | 0.594 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.8 | -35.1 | 176.3 | -71 | -19 | 0 | 0 | 0 | 112.1 | I127 E133 G135 | I127-D131 PolarHBondContact O-N 2.96Å; D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 PolarHBondContact O-N 3.21Å; D131-G135 PolarHBondContact O-N 2.83Å |
| 132 | S | 80 | Confident | 71.1 | Confident | 82 Ų | 82 | 83.5 Ų | 83.5 | 57% | 0.573 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68 | -28.7 | 177.7 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | E128 C129 A130 | E128-S132 WeakPolarHBondContact O-CB 3.49Å; E128-S132 PolarHBondContact O-N 3.01Å; E128-S132 PolarHBondContact O-OG 3.4Å; C129-S132 WeakPolarHBondContact O-CB 3.2Å; C129-S132 PolarHBondContact O-N 2.81Å; A130-S132 PolarHBondContact O-N 3.08Å |
| 133 | E | 72.2 | Confident | 69.1 | Low | 67 Ų | 67 | 84.2 Ų | 84.2 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -97.1 | -34.8 | -177.7 | -65.4 | -175.8 | -160.6 | 0 | 0 | 111.1 | P75 R76 C129 A130 D131 G135 S136 | P75-E133 WeakPolarHBondContact CB-OE1 3.46Å; R76-E133 PolarHBondContact N-OE1 3.22Å; C129-E133 PolarHBondContact O-N 3.41Å; A130-E133 PolarHBondContact O-N 3.5Å; A130-E133 VanDerWaalsContact O-N 3.13Å; D131-E133 VanDerWaalsContact C-N 3.35Å; D131-E133 PolarHBondContact O-N 3.21Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.09Å; E133-S136 PolarHBondContact O-OG 3.12Å; E133-S136 VanDerWaalsContact O-OG 3.13Å |
| 134 | N | 61.8 | Low | 67.3 | Low | 75 Ų | 75 | 89 Ų | 89 | 40% | 0.401 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -21.2 | 179.1 | -69.2 | -16.3 | 0 | 0 | 0 | 114.4 | A130 S136 L137 | A130-N134 VanDerWaalsContact O-CB 3.31Å; A130-N134 WeakPolarHBondContact O-CB 3.49Å; A130-N134 PolarHBondContact O-N 3.28Å; A130-N134 PolarHBondContact O-ND2 2.9Å; N134-S136 PolarHBondContact O-N 2.74Å; N134-L137 PolarHBondContact O-N 3.34Å |
| 135 | G | 56.1 | Low | 65.6 | Low | 79 Ų | 79 | 92.6 Ų | 92.6 | 81% | 0.814 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 22.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | D131 E133 | D131-G135 PolarHBondContact O-N 2.83Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.09Å |
| 136 | S | 54.6 | Low | 64.1 | Low | 97 Ų | 97 | 97.1 Ų | 97.1 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | -12.1 | -176.3 | 64.3 | 0 | 0 | 0 | 0 | 115.2 | E133 N134 | E133-S136 PolarHBondContact O-OG 3.12Å; E133-S136 VanDerWaalsContact O-OG 3.13Å; N134-S136 PolarHBondContact O-N 2.74Å |
| 137 | L | 44.7 | Very low | 62.9 | Low | 139 Ų | 139 | 98.8 Ų | 98.8 | 73% | 0.728 | 55% | 0.546 | S | S | * | . | trans | -140.3 | 118.3 | -179.1 | -79.7 | 166 | 0 | 0 | 0 | 111.7 | N134 | N134-L137 PolarHBondContact O-N 3.34Š| ||
| 138 | D | 39.9 | Very low | 61.8 | Low | 158 Ų | 158 | 96.8 Ų | 96.8 | 85% | 0.845 | 54% | 0.536 | S | S | * | . | trans | -66.6 | 154.5 | 148.3 | -75.7 | -61.3 | 0 | 0 | 0 | 109 | ||||
| 139 | E | 45.7 | Very low | 60.8 | Low | 169 Ų | 169 | 98.3 Ų | 98.3 | 79% | 0.79 | 54% | 0.543 | S | S | * | . | trans | 71.2 | 135.3 | -171 | -46.6 | -175.7 | 42.4 | 0 | 0 | 113.6 | ||||
| 140 | Q | 44.5 | Very low | 60.1 | Low | 161 Ų | 161 | 104.4 Ų | 104.4 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | cis | -136 | 164.3 | 17.7 | -71.3 | -178.8 | -14.4 | 0 | 0 | 113.1 | S142 | Q140-S142 PolarHBondContact O-N 2.97Š| ||
| 141 | L | 48.7 | Very low | 60 | Low | 190 Ų | 190 | 104.8 Ų | 104.8 | 100% | 0.995 | 57% | 0.57 | S | S | * | * | trans | -78.1 | 50.7 | 179 | -69.7 | 156.1 | 0 | 0 | 0 | 113.3 | ||||
| 142 | S | 44.7 | Very low | 60.3 | Low | 70 Ų | 70 | 101.8 Ų | 101.8 | 49% | 0.49 | 55% | 0.554 | S | S | . | * | trans | -75.8 | 157.2 | 158.8 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | Q140 | Q140-S142 PolarHBondContact O-N 2.97Š| ||
| 143 | G | 53.2 | Low | 60.7 | Low | 26 Ų | 26 | 98.6 Ų | 98.6 | 27% | 0.268 | 53% | 0.53 | S | S | . | . | trans | -61.7 | 144.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E145 D146 L147 | G143-E145 PolarHBondContact O-N 3.08Å; G143-D146 PolarHBondContact N-OD2 2.95Å; G143-D146 WeakPolarHBondContact O-CB 3.24Å; G143-D146 PolarHBondContact O-N 3.02Å; G143-D146 VanDerWaalsContact O-N 3.14Å; G143-L147 PolarHBondContact O-N 3.29Å; G143-L147 VanDerWaalsContact O-N 3.14Å | ||
| 144 | Q | 54 | Low | 61.3 | Low | 154 Ų | 154 | 97.8 Ų | 97.8 | 72% | 0.72 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.7 | -28.6 | 167 | -177.3 | 175.8 | -20.8 | 0 | 0 | 110.9 | L148 | Q144-L148 HydrophobicContact CG-CD1 4.29Å; Q144-L148 WeakPolarHBondContact O-CG 3.44Å; Q144-L148 PolarHBondContact O-N 3.05Å |
| 145 | E | 57.3 | Low | 62.3 | Low | 156 Ų | 156 | 98.7 Ų | 98.7 | 73% | 0.729 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -48.9 | 173.5 | -65.1 | 154.3 | 146.3 | 0 | 0 | 111.8 | G143 L147 L148 E149 | G143-E145 PolarHBondContact O-N 3.08Å; E145-L147 PolarHBondContact O-N 3.19Å; E145-L148 PolarHBondContact O-N 2.77Å; E145-L148 VanDerWaalsContact O-N 3.11Å; E145-E149 PolarHBondContact O-N 3.24Å |
| 146 | D | 61 | Low | 63.6 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.2 | -35.4 | 173.9 | -68.7 | -55.7 | 0 | 0 | 0 | 112.1 | G143 Q150 | G143-D146 PolarHBondContact N-OD2 2.95Å; G143-D146 WeakPolarHBondContact O-CB 3.24Å; G143-D146 PolarHBondContact O-N 3.02Å; G143-D146 VanDerWaalsContact O-N 3.14Å; D146-Q150 WeakPolarHBondContact O-CG 3.33Å; D146-Q150 PolarHBondContact O-NE2 3.39Å |
| 147 | L | 65.2 | Low | 65.4 | Low | 55 Ų | 55 | 94.2 Ų | 94.2 | 29% | 0.288 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.8 | -53.1 | 175.2 | -68.8 | 173.3 | 0 | 0 | 0 | 110.5 | G143 E145 E149 Q150 Y151 | G143-L147 PolarHBondContact O-N 3.29Å; G143-L147 VanDerWaalsContact O-N 3.14Å; E145-L147 PolarHBondContact O-N 3.19Å; L147-E149 VanDerWaalsContact C-N 3.26Å; L147-E149 PolarHBondContact O-N 2.79Å; L147-Q150 WeakPolarHBondContact O-CB 3.4Å; L147-Q150 PolarHBondContact O-N 3.43Å; L147-Y151 WeakPolarHBondContact O-CD2 3.37Å |
| 148 | L | 65.5 | Low | 67.6 | Low | 48 Ų | 48 | 88.2 Ų | 88.2 | 25% | 0.251 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.5 | -34.5 | -179.4 | -74.2 | 166.8 | 0 | 0 | 0 | 112.9 | Q144 E145 Q150 Y151 L152 L202 | Q144-L148 HydrophobicContact CG-CD1 4.29Å; Q144-L148 WeakPolarHBondContact O-CG 3.44Å; Q144-L148 PolarHBondContact O-N 3.05Å; E145-L148 PolarHBondContact O-N 2.77Å; E145-L148 VanDerWaalsContact O-N 3.11Å; L148-Q150 PolarHBondContact O-N 3.2Å; L148-Y151 CarbonylContact O-C 3.48Å; L148-Y151 PolarHBondContact O-N 2.87Å; L148-L152 PolarHBondContact O-N 3.33Å; L148-L202 HydrophobicContact CD1-CD1 4.17Å; L148-L202 HydrophobicContact CD2-CD1 4Å |
| 149 | E | 68.4 | Low | 70 | Confident | 119 Ų | 119 | 84.7 Ų | 84.7 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.4 | -32.2 | 173.8 | -76.9 | -158 | 176.8 | 0 | 0 | 113.6 | E145 L147 Y151 L152 | E145-E149 PolarHBondContact O-N 3.24Å; L147-E149 VanDerWaalsContact C-N 3.26Å; L147-E149 PolarHBondContact O-N 2.79Å; E149-Y151 VanDerWaalsContact C-N 3.29Å; E149-Y151 PolarHBondContact O-N 3.27Å; E149-L152 HydrophobicContact CB-CD1 4.26Å; E149-L152 HydrophobicContact CG-CD1 4.27Å; E149-L152 WeakPolarHBondContact O-CG 3.33Å; E149-L152 PolarHBondContact O-N 3.25Å |
| 150 | Q | 77.3 | Confident | 72.3 | Confident | 128 Ų | 128 | 78.6 Ų | 78.6 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -73.2 | -24.7 | 178 | -63.4 | 168.8 | 68.3 | 0 | 0 | 112.3 | W77 D146 L147 L148 | W77-Q150 PolarHBondContact NE1-O 3.4Å; D146-Q150 WeakPolarHBondContact O-CG 3.33Å; D146-Q150 PolarHBondContact O-NE2 3.39Å; L147-Q150 WeakPolarHBondContact O-CB 3.4Å; L147-Q150 PolarHBondContact O-N 3.43Å; L148-Q150 PolarHBondContact O-N 3.2Å |
| 151 | Y | 84.7 | Confident | 74.6 | Confident | 22 Ų | 22 | 71 Ų | 71 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 21.5 | 178.1 | -64.1 | -99.9 | 0 | 0 | 0 | 112.7 | W77 A126 C129 A130 L147 L148 E149 | W77-Y151 HydrophobicContact CB-CD1 3.63Å; W77-Y151 HydrophobicContact CB-CE1 3.57Å; W77-Y151 AromaticContact CD1-CD1 3.98Å; W77-Y151 AromaticContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CD1 3.77Å; W77-Y151 HydrophobicContact CD2-CG 4.43Å; W77-Y151 HydrophobicContact CE3-CD1 4.1Å; W77-Y151 AromaticContact CG-CD1 3.51Å; W77-Y151 HydrophobicContact CG-CD1 3.51Å; W77-Y151 AromaticContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CE1 3.97Å; W77-Y151 HydrophobicContact CG-CG 4.3Å; W77-Y151 VanDerWaalsContact CH2-O 3.27Å; W77-Y151 WeakPolarHBondContact CH2-O 3.49Å; W77-Y151 VanDerWaalsContact CZ2-C 3.44Å; W77-Y151 WeakPolarHBondContact CZ2-O 3.29Å; A126-Y151 WeakPolarHBondContact O-CD1 3.49Å; C129-Y151 HydrophobicContact CB-CD1 3.81Å; C129-Y151 HydrophobicContact CB-CE1 3.62Å; A130-Y151 HydrophobicContact CB-CD1 4.35Å; A130-Y151 HydrophobicContact CB-CD2 4.16Å; A130-Y151 HydrophobicContact CB-CE1 4.04Å; A130-Y151 HydrophobicContact CB-CE2 3.87Å; A130-Y151 HydrophobicContact CB-CG 4.42Å; L147-Y151 WeakPolarHBondContact O-CD2 3.37Å; L148-Y151 CarbonylContact O-C 3.48Å; L148-Y151 PolarHBondContact O-N 2.87Å; E149-Y151 VanDerWaalsContact C-N 3.29Å; E149-Y151 PolarHBondContact O-N 3.27Å |
| 152 | L | 86.5 | Confident | 76.7 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 139 | 171.2 | -68.6 | 171.4 | 0 | 0 | 0 | 112.5 | L148 E149 S206 | L148-L152 PolarHBondContact O-N 3.33Å; E149-L152 HydrophobicContact CB-CD1 4.26Å; E149-L152 HydrophobicContact CG-CD1 4.27Å; E149-L152 WeakPolarHBondContact O-CG 3.33Å; E149-L152 PolarHBondContact O-N 3.25Å; L152-S206 WeakPolarHBondContact CD1-OG 3.49Å |
| 153 | L | 87.9 | Confident | 79.1 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 136.9 | 170.9 | -71.3 | 169.5 | 0 | 0 | 0 | 110 | W77 F84 M155 I158 C203 | W77-L153 HydrophobicContact CH2-CD2 3.66Å; W77-L153 HydrophobicContact CH2-CG 3.94Å; W77-L153 HydrophobicContact CZ2-CD2 3.98Å; W77-L153 HydrophobicContact CZ2-CG 4.26Å; F84-L153 HydrophobicContact CB-CD2 4.06Å; F84-L153 HydrophobicContact CD2-CD1 3.54Å; F84-L153 HydrophobicContact CD2-CD2 3.78Å; F84-L153 HydrophobicContact CD2-CG 4.33Å; F84-L153 HydrophobicContact CE1-CD1 4.49Å; F84-L153 HydrophobicContact CE2-CD1 3.32Å; F84-L153 HydrophobicContact CE2-CD2 4.43Å; F84-L153 HydrophobicContact CG-CD1 4.25Å; F84-L153 HydrophobicContact CG-CD2 3.94Å; F84-L153 HydrophobicContact CZ-CD1 3.84Å; L153-M155 PolarHBondContact O-N 2.78Å; L153-I158 HydrophobicContact CB-CD1 3.94Å; L153-I158 HydrophobicContact CB-CG1 4.23Å; L153-I158 HydrophobicContact CD1-CD1 3.88Å; L153-C203 HydrophobicContact CB-CB 4.3Å; L153-C203 HydrophobicContact CD1-CB 3.97Å; L153-C203 HydrophobicContact CG-CB 4.41Å |
| 154 | P | 84.8 | Confident | 81 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -59 | 139.5 | 178.5 | -25.1 | 34.1 | 0 | 0 | 0 | 112.4 | H156 S157 I158 | P154-H156 PolarHBondContact O-N 2.88Å; P154-S157 WeakPolarHBondContact O-CA 3.2Å; P154-S157 VanDerWaalsContact O-CB 3.24Å; P154-S157 WeakPolarHBondContact O-CB 2.97Å; P154-S157 PolarHBondContact O-N 3.19Å; P154-I158 PolarHBondContact O-N 2.81Å |
| 155 | M | 83.8 | Confident | 82.9 | Confident | 94 Ų | 94 | 63 Ų | 63 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -47.5 | -39.7 | 179.9 | 179.7 | 58.1 | 115.6 | 0 | 0 | 113.8 | L153 S157 I158 Q159 V208 | L153-M155 PolarHBondContact O-N 2.78Å; M155-S157 PolarHBondContact O-N 2.85Å; M155-I158 PolarHBondContact O-N 3.24Å; M155-Q159 HydrophobicContact CG-CG 4.34Å; M155-Q159 WeakPolarHBondContact O-CB 3.19Å; M155-Q159 WeakPolarHBondContact O-CG 3.23Å; M155-Q159 PolarHBondContact O-N 3.04Å; M155-Q159 HydrophobicContact SD-CG 4.22Å; M155-V208 HydrophobicContact CE-CB 4.21Å; M155-V208 HydrophobicContact CE-CG1 4.24Å; M155-V208 HydrophobicContact CE-CG2 4Å |
| 156 | H | 84.2 | Confident | 84.6 | Confident | 81 Ų | 81 | 58.2 Ų | 58.2 | 38% | 0.375 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -27.7 | 177.2 | 62.2 | 50.6 | 0 | 0 | 0 | 113.9 | P154 L160 | P154-H156 PolarHBondContact O-N 2.88Å; H156-L160 WeakPolarHBondContact O-CB 3.48Å; H156-L160 PolarHBondContact O-N 2.8Å |
| 157 | S | 90.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.4 | -37.3 | 178 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | F84 P154 M155 L160 F161 | F84-S157 WeakPolarHBondContact CE1-O 3.48Å; P154-S157 WeakPolarHBondContact O-CA 3.2Å; P154-S157 VanDerWaalsContact O-CB 3.24Å; P154-S157 WeakPolarHBondContact O-CB 2.97Å; P154-S157 PolarHBondContact O-N 3.19Å; M155-S157 PolarHBondContact O-N 2.85Å; S157-L160 PolarHBondContact O-N 3.04Å; S157-F161 PolarHBondContact O-N 2.94Å |
| 158 | I | 90.6 | Very high | 87.5 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.7 | -39.7 | 174.9 | -56.4 | -59.7 | 0 | 0 | 0 | 110.8 | F84 L153 P154 M155 L160 F161 V162 C203 F204 | F84-I158 HydrophobicContact CZ-CD1 4.35Å; L153-I158 HydrophobicContact CB-CD1 3.94Å; L153-I158 HydrophobicContact CB-CG1 4.23Å; L153-I158 HydrophobicContact CD1-CD1 3.88Å; P154-I158 PolarHBondContact O-N 2.81Å; M155-I158 PolarHBondContact O-N 3.24Å; I158-L160 VanDerWaalsContact C-N 3.32Å; I158-L160 PolarHBondContact O-N 3Å; I158-F161 WeakPolarHBondContact O-CB 3.24Å; I158-F161 PolarHBondContact O-N 2.96Å; I158-V162 WeakPolarHBondContact O-CG2 3.38Å; I158-V162 PolarHBondContact O-N 3.18Å; I158-C203 HydrophobicContact CD1-CB 3.92Å; I158-C203 WeakPolarHBondContact CG1-O 3.34Å; I158-F204 HydrophobicContact CG2-CD1 3.75Å; I158-F204 HydrophobicContact CG2-CE1 3.74Å |
| 159 | Q | 90.9 | Very high | 88.7 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 168.7 | -72 | 171.2 | -21.6 | 0 | 0 | 111.7 | M155 V162 Y163 | M155-Q159 HydrophobicContact CG-CG 4.34Å; M155-Q159 WeakPolarHBondContact O-CB 3.19Å; M155-Q159 WeakPolarHBondContact O-CG 3.23Å; M155-Q159 PolarHBondContact O-N 3.04Å; M155-Q159 HydrophobicContact SD-CG 4.22Å; Q159-V162 PolarHBondContact O-N 3.01Å; Q159-Y163 HydrophobicContact CB-CD2 4.45Å; Q159-Y163 HydrophobicContact CB-CE2 4.11Å; Q159-Y163 WeakPolarHBondContact O-CD2 3.26Å; Q159-Y163 VanDerWaalsContact O-CG 3.31Å; Q159-Y163 PolarHBondContact O-N 3.45Å |
| 160 | L | 93.3 | Very high | 89.8 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175 | -174.9 | 70.4 | 0 | 0 | 0 | 112.2 | P85 V88 H156 S157 I158 V162 Y163 M164 | P85-L160 HydrophobicContact CB-CD2 3.52Å; V88-L160 HydrophobicContact CG1-CD2 4.47Å; V88-L160 HydrophobicContact CG1-CG 4.15Å; H156-L160 WeakPolarHBondContact O-CB 3.48Å; H156-L160 PolarHBondContact O-N 2.8Å; S157-L160 PolarHBondContact O-N 3.04Å; I158-L160 VanDerWaalsContact C-N 3.32Å; I158-L160 PolarHBondContact O-N 3Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.08Å; L160-Y163 PolarHBondContact O-N 2.83Å; L160-M164 HydrophobicContact CD1-CG 3.64Å; L160-M164 HydrophobicContact CD1-SD 4.39Å; L160-M164 HydrophobicContact CG-CG 4.02Å; L160-M164 WeakPolarHBondContact O-CB 3.39Å; L160-M164 VanDerWaalsContact O-CG 3.22Å; L160-M164 WeakPolarHBondContact O-CG 3.49Å; L160-M164 PolarHBondContact O-N 3.21Å |
| 161 | F | 94.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.5 | -51.2 | 172.2 | 177.5 | -73.5 | 0 | 0 | 0 | 110.4 | F84 V88 L118 V122 S157 I158 M164 L165 L189 L193 F204 | F84-F161 HydrophobicContact CE1-CB 4.22Å; F84-F161 HydrophobicContact CZ-CB 4.34Å; F84-F161 AromaticContact CZ-CD2 3.94Å; F84-F161 HydrophobicContact CZ-CD2 3.94Å; V88-F161 HydrophobicContact CG2-CB 4.25Å; V88-F161 HydrophobicContact CG2-CD2 4.19Å; L118-F161 HydrophobicContact CD1-CD2 4.12Å; L118-F161 HydrophobicContact CD1-CE2 4.05Å; L118-F161 HydrophobicContact CD2-CE2 4.02Å; L118-F161 HydrophobicContact CG-CE2 4.23Å; V122-F161 HydrophobicContact CG2-CE2 4.35Å; S157-F161 PolarHBondContact O-N 2.94Å; I158-F161 WeakPolarHBondContact O-CB 3.24Å; I158-F161 PolarHBondContact O-N 2.96Å; F161-M164 PolarHBondContact O-N 3.1Å; F161-L165 HydrophobicContact CD1-CD1 4.38Å; F161-L165 HydrophobicContact CD2-CD1 3.57Å; F161-L165 HydrophobicContact CE1-CD1 4.38Å; F161-L165 HydrophobicContact CE2-CD1 3.6Å; F161-L165 HydrophobicContact CG-CD1 3.97Å; F161-L165 HydrophobicContact CZ-CD1 4Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.96Å; F161-L189 HydrophobicContact CZ-CD1 4.34Å; F161-L189 HydrophobicContact CZ-CD2 4.23Å; F161-L193 HydrophobicContact CE1-CD1 3.94Å; F161-L193 HydrophobicContact CZ-CD1 4.17Å; F161-F204 AromaticContact CD1-CE1 3.75Å; F161-F204 HydrophobicContact CD1-CE1 3.75Å; F161-F204 AromaticContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD2-CZ 4.25Å; F161-F204 AromaticContact CE1-CE1 3.91Å; F161-F204 HydrophobicContact CE1-CE1 3.91Å; F161-F204 AromaticContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE2-CZ 4.16Å; F161-F204 HydrophobicContact CG-CE1 4.39Å; F161-F204 HydrophobicContact CG-CZ 4.02Å; F161-F204 AromaticContact CZ-CZ 3.83Å; F161-F204 HydrophobicContact CZ-CZ 3.83Å |
| 162 | V | 92.5 | Very high | 90.8 | Very high | 58 Ų | 58 | 48 Ų | 48 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -51.3 | -178.9 | 169 | 0 | 0 | 0 | 0 | 111.1 | I158 Q159 L160 M164 I166 | I158-V162 WeakPolarHBondContact O-CG2 3.38Å; I158-V162 PolarHBondContact O-N 3.18Å; Q159-V162 PolarHBondContact O-N 3.01Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.08Å; V162-M164 PolarHBondContact O-N 3Å; V162-I166 HydrophobicContact CB-CG1 4.46Å; V162-I166 HydrophobicContact CG1-CG1 4.22Å; V162-I166 VanDerWaalsContact O-CB 3.3Å; V162-I166 WeakPolarHBondContact O-CB 3.36Å; V162-I166 VanDerWaalsContact O-CG1 3.26Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 2.71Å |
| 163 | Y | 93.9 | Very high | 91 | Very high | 146 Ų | 146 | 49.9 Ų | 49.9 | 57% | 0.573 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -69.9 | -28.9 | -177.5 | -62 | -40.1 | 0 | 0 | 0 | 114.1 | Q159 L160 P167 | Q159-Y163 HydrophobicContact CB-CD2 4.45Å; Q159-Y163 HydrophobicContact CB-CE2 4.11Å; Q159-Y163 WeakPolarHBondContact O-CD2 3.26Å; Q159-Y163 VanDerWaalsContact O-CG 3.31Å; Q159-Y163 PolarHBondContact O-N 3.45Å; L160-Y163 PolarHBondContact O-N 2.83Å; Y163-P167 WeakPolarHBondContact O-CG 3.23Å |
| 164 | M | 94.3 | Very high | 91.2 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -91 | -30 | -177.4 | -67.6 | -62.2 | -47.6 | 0 | 0 | 114.1 | V88 A92 L160 F161 V162 L168 | V88-M164 HydrophobicContact CG1-CB 3.81Å; V88-M164 HydrophobicContact CG1-CG 4.18Å; A92-M164 HydrophobicContact CB-CB 3.96Å; A92-M164 HydrophobicContact CB-CE 3.6Å; L160-M164 HydrophobicContact CD1-CG 3.64Å; L160-M164 HydrophobicContact CD1-SD 4.39Å; L160-M164 HydrophobicContact CG-CG 4.02Å; L160-M164 WeakPolarHBondContact O-CB 3.39Å; L160-M164 VanDerWaalsContact O-CG 3.22Å; L160-M164 WeakPolarHBondContact O-CG 3.49Å; L160-M164 PolarHBondContact O-N 3.21Å; F161-M164 PolarHBondContact O-N 3.1Å; V162-M164 PolarHBondContact O-N 3Å; M164-L168 WeakPolarHBondContact O-CD1 3.45Å |
| 165 | L | 94.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -109.8 | -32.7 | -170.6 | -60.6 | 173.5 | 0 | 0 | 0 | 114.1 | V88 C91 A92 L95 L118 F161 L168 I169 | V88-L165 HydrophobicContact CG1-CD1 4.31Å; V88-L165 HydrophobicContact CG1-CG 4.33Å; C91-L165 HydrophobicContact CB-CD2 3.94Å; A92-L165 HydrophobicContact CB-CD2 3.86Å; L95-L165 HydrophobicContact CD1-CD2 3.86Å; L118-L165 HydrophobicContact CD2-CD1 3.7Å; F161-L165 HydrophobicContact CD1-CD1 4.38Å; F161-L165 HydrophobicContact CD2-CD1 3.57Å; F161-L165 HydrophobicContact CE1-CD1 4.38Å; F161-L165 HydrophobicContact CE2-CD1 3.6Å; F161-L165 HydrophobicContact CG-CD1 3.97Å; F161-L165 HydrophobicContact CZ-CD1 4Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.96Å; L165-L168 CarbonylContact O-C 3.54Å; L165-L168 WeakPolarHBondContact O-CA 3.41Å; L165-L168 PolarHBondContact O-N 3.36Å; L165-I169 PolarHBondContact O-N 3.12Å; L165-I169 VanDerWaalsContact O-N 3.12Å |
| 166 | I | 92.2 | Very high | 91.8 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -63.3 | -38.8 | 179.4 | -54.9 | -60 | 0 | 0 | 0 | 112.4 | V162 L168 I169 L193 | V162-I166 HydrophobicContact CB-CG1 4.46Å; V162-I166 HydrophobicContact CG1-CG1 4.22Å; V162-I166 VanDerWaalsContact O-CB 3.3Å; V162-I166 WeakPolarHBondContact O-CB 3.36Å; V162-I166 VanDerWaalsContact O-CG1 3.26Å; V162-I166 WeakPolarHBondContact O-CG1 3.44Å; V162-I166 PolarHBondContact O-N 2.71Å; I166-L168 PolarHBondContact O-N 2.77Å; I166-I169 WeakPolarHBondContact O-CB 3.46Å; I166-I169 VanDerWaalsContact O-CG2 3.31Å; I166-I169 WeakPolarHBondContact O-CG2 3.39Å; I166-I169 PolarHBondContact O-N 3.39Å; I166-L193 HydrophobicContact CD1-CB 4.35Å; I166-L193 HydrophobicContact CD1-CD1 3.9Å; I166-L193 HydrophobicContact CD1-CD2 3.7Å; I166-L193 HydrophobicContact CD1-CG 4.19Å |
| 167 | P | 92.9 | Very high | 92.2 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 49% | 0.494 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -63.9 | -7.3 | 172 | -23.6 | 36.1 | 0 | 0 | 0 | 115.3 | Y163 Y170 | Y163-P167 WeakPolarHBondContact O-CG 3.23Å; P167-Y170 WeakPolarHBondContact O-CE1 3.28Å; P167-Y170 PolarHBondContact O-OH 2.93Å |
| 168 | L | 93.5 | Very high | 92.3 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -121.3 | 7.1 | -178 | -58.7 | 175.1 | 0 | 0 | 0 | 112.6 | A92 L95 S96 L99 M164 L165 I166 Y170 C171 | A92-L168 HydrophobicContact CB-CD1 4.09Å; A92-L168 VanDerWaalsContact O-CD1 3.3Å; A92-L168 WeakPolarHBondContact O-CD1 3.4Å; L95-L168 HydrophobicContact CB-CB 4.07Å; L95-L168 HydrophobicContact CB-CD1 3.91Å; L95-L168 HydrophobicContact CD1-CB 4.34Å; S96-L168 WeakPolarHBondContact OG-CD1 3.4Å; L99-L168 HydrophobicContact CD2-CD2 4.07Å; M164-L168 WeakPolarHBondContact O-CD1 3.45Å; L165-L168 CarbonylContact O-C 3.54Å; L165-L168 WeakPolarHBondContact O-CA 3.41Å; L165-L168 PolarHBondContact O-N 3.36Å; I166-L168 PolarHBondContact O-N 2.77Å; L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 3.17Å; L168-C171 WeakPolarHBondContact O-CB 3.49Å; L168-C171 PolarHBondContact O-N 2.89Å; L168-C171 PolarHBondContact O-SG 3.13Å |
| 169 | I | 92.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -59.4 | -34.7 | -169.6 | -164.8 | -171.3 | 0 | 0 | 0 | 114.2 | L165 I166 C171 V172 W190 L193 W194 | L165-I169 PolarHBondContact O-N 3.12Å; L165-I169 VanDerWaalsContact O-N 3.12Å; I166-I169 WeakPolarHBondContact O-CB 3.46Å; I166-I169 VanDerWaalsContact O-CG2 3.31Å; I166-I169 WeakPolarHBondContact O-CG2 3.39Å; I166-I169 PolarHBondContact O-N 3.39Å; I169-C171 PolarHBondContact O-N 3.26Å; I169-V172 PolarHBondContact O-N 3.4Å; I169-W190 HydrophobicContact CG1-CE3 4Å; I169-W190 HydrophobicContact CG1-CZ3 3.95Å; I169-L193 HydrophobicContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-O 3.3Å; I169-L193 WeakPolarHBondContact CD1-O 3.49Å; I169-L193 HydrophobicContact CG1-CB 4.45Å; I169-W194 HydrophobicContact CD1-CG 4.16Å; I169-W194 PolarHBondContact O-NE1 3.45Å |
| 170 | Y | 89.9 | Confident | 92.3 | Very high | 134 Ų | 134 | 52.4 Ų | 52.4 | 53% | 0.525 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -73.6 | -5.3 | 176.7 | 53.8 | -89.4 | 0 | 0 | 0 | 113.1 | L99 P167 L168 V172 | L99-Y170 HydrophobicContact CD1-CE2 3.83Å; L99-Y170 HydrophobicContact CD2-CE2 4.36Å; P167-Y170 WeakPolarHBondContact O-CE1 3.28Å; P167-Y170 PolarHBondContact O-OH 2.93Å; L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 3.17Å; Y170-V172 PolarHBondContact O-N 2.94Å |
| 171 | C | 91.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -80.2 | 3.4 | 169.7 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | L95 R98 L168 I169 | L95-C171 HydrophobicContact CB-CB 4.32Å; L95-C171 HydrophobicContact CD2-CB 3.94Å; R98-C171 WeakPolarHBondContact CD-O 3.04Å; R98-C171 PolarHBondContact NH1-O 2.89Å; L168-C171 WeakPolarHBondContact O-CB 3.49Å; L168-C171 PolarHBondContact O-N 2.89Å; L168-C171 PolarHBondContact O-SG 3.13Å; I169-C171 PolarHBondContact O-N 3.26Å |
| 172 | V | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -126.7 | 134.4 | 169.8 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | L95 L115 I169 Y170 D176 I177 W190 W194 | L95-V172 HydrophobicContact CD2-CG2 3.49Å; L95-V172 VanDerWaalsContact CD2-CG2 3.49Å; L115-V172 HydrophobicContact CD1-CG2 4.19Å; I169-V172 PolarHBondContact O-N 3.4Å; Y170-V172 PolarHBondContact O-N 2.94Å; V172-D176 HydrophobicContact CG1-CB 4.36Å; V172-I177 HydrophobicContact CG1-CD1 3.64Å; V172-I177 HydrophobicContact CG1-CG1 3.63Å; V172-W190 HydrophobicContact CB-CE3 4.46Å; V172-W190 HydrophobicContact CB-CH2 4.36Å; V172-W190 HydrophobicContact CB-CZ2 4.46Å; V172-W190 HydrophobicContact CB-CZ3 4.34Å; V172-W190 HydrophobicContact CG1-CD2 4.34Å; V172-W190 HydrophobicContact CG1-CZ2 4.39Å; V172-W190 HydrophobicContact CG2-CH2 3.73Å; V172-W190 HydrophobicContact CG2-CZ2 3.91Å; V172-W190 HydrophobicContact CG2-CZ3 4.13Å; V172-W194 HydrophobicContact CB-CZ2 4.22Å; V172-W194 HydrophobicContact CG1-CZ2 4.01Å; V172-W194 VanDerWaalsContact O-CZ2 3.27Å; V172-W194 WeakPolarHBondContact O-CZ2 3.37Å; V172-W194 PolarHBondContact O-NE1 2.96Å |
| 173 | N | 90.3 | Very high | 92.3 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | trans | -107.7 | 157.8 | 176.5 | -56.3 | -89 | 0 | 0 | 0 | 110.9 | A175 D176 I177 | N173-A175 PolarHBondContact O-N 2.65Å; N173-D176 WeakPolarHBondContact CB-OD2 3.45Å; N173-D176 PolarHBondContact N-OD2 3.06Å; N173-D176 VanDerWaalsContact N-OD2 3.08Å; N173-D176 PolarHBondContact ND2-OD2 3.31Å; N173-D176 WeakPolarHBondContact O-CB 3.42Å; N173-D176 PolarHBondContact O-N 3.34Å; N173-I177 PolarHBondContact O-N 3.26Å | ||
| 174 | Q | 92 | Very high | 92.3 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -53.9 | -40.5 | 175.3 | -157.6 | -177.2 | 19.4 | 0 | 0 | 112.1 | I177 A178 L187 E191 W194 | Q174-I177 PolarHBondContact O-N 2.71Å; Q174-A178 VanDerWaalsContact O-CB 3.32Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 2.87Å; Q174-L187 HydrophobicContact CG-CD1 3.97Å; Q174-E191 PolarHBondContact NE2-OE1 3.08Å; Q174-W194 VanDerWaalsContact CA-CH2 3.48Å; Q174-W194 HydrophobicContact CB-CH2 4.2Å; Q174-W194 HydrophobicContact CB-CZ3 3.96Å; Q174-W194 HydrophobicContact CG-CZ3 4.03Å |
| 175 | A | 90.5 | Very high | 92 | Very high | 51 Ų | 51 | 58 Ų | 58 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N173 I177 E179 | N173-A175 PolarHBondContact O-N 2.65Å; A175-I177 PolarHBondContact O-N 3.4Å; A175-E179 VanDerWaalsContact O-CB 3.28Å; A175-E179 WeakPolarHBondContact O-CB 3.36Å; A175-E179 WeakPolarHBondContact O-CG 3.27Å; A175-E179 PolarHBondContact O-N 3.48Å |
| 176 | D | 91.3 | Very high | 92 | Very high | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -27.4 | 176.2 | -78 | -58.8 | 0 | 0 | 0 | 112.1 | R98 L107 V172 N173 | R98-D176 IonicContact CZ-OD1 3.66Å; R98-D176 IonicContact CZ-OD2 3.38Å; R98-D176 IonicContact NH1-OD1 3.24Å; R98-D176 IonicContact NH1-OD2 2.7Å; R98-D176 PolarHBondContact NH1-OD2 3.31Å; R98-D176 VanDerWaalsContact NH2-CG 3.3Å; R98-D176 IonicContact NH2-OD1 2.81Å; R98-D176 PolarHBondContact NH2-OD1 3.07Å; R98-D176 IonicContact NH2-OD2 3.06Å; R98-D176 PolarHBondContact NH2-OD2 3.39Å; L107-D176 HydrophobicContact CD1-CB 3.89Å; L107-D176 WeakPolarHBondContact CD1-O 3.5Å; L107-D176 HydrophobicContact CD2-CB 4.1Å; L107-D176 HydrophobicContact CG-CB 3.75Å; L107-D176 PolarHBondContact N-OD1 3.37Å; V172-D176 HydrophobicContact CG1-CB 4.36Å; N173-D176 WeakPolarHBondContact CB-OD2 3.45Å; N173-D176 PolarHBondContact N-OD2 3.06Å; N173-D176 VanDerWaalsContact N-OD2 3.08Å; N173-D176 PolarHBondContact ND2-OD2 3.31Å; N173-D176 WeakPolarHBondContact O-CB 3.42Å; N173-D176 PolarHBondContact O-N 3.34Å |
| 177 | I | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -93.8 | -52.9 | 179.8 | -57.7 | -57.2 | 0 | 0 | 0 | 110.5 | L115 V172 N173 Q174 A175 E179 N180 L183 L187 W190 W194 | L115-I177 HydrophobicContact CD1-CD1 4.27Å; V172-I177 HydrophobicContact CG1-CD1 3.64Å; V172-I177 HydrophobicContact CG1-CG1 3.63Å; N173-I177 PolarHBondContact O-N 3.26Å; Q174-I177 PolarHBondContact O-N 2.71Å; A175-I177 PolarHBondContact O-N 3.4Å; I177-E179 PolarHBondContact O-N 3.47Å; I177-N180 CarbonylContact O-C 3.53Å; I177-N180 PolarHBondContact O-N 3.28Å; I177-N180 VanDerWaalsContact O-O 3.09Å; I177-L183 HydrophobicContact CD1-CB 4.03Å; I177-L183 HydrophobicContact CD1-CD1 3.85Å; I177-L183 HydrophobicContact CG2-CB 4.06Å; I177-L183 VanDerWaalsContact CG2-O 3.29Å; I177-L183 WeakPolarHBondContact CG2-O 3.31Å; I177-L187 HydrophobicContact CB-CD1 4.27Å; I177-L187 HydrophobicContact CG2-CB 4Å; I177-L187 HydrophobicContact CG2-CD1 3.96Å; I177-W190 HydrophobicContact CG1-CG 4.4Å; I177-W194 HydrophobicContact CG1-CH2 4.33Å |
| 178 | A | 91.8 | Very high | 92 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 44% | 0.438 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.6 | -26.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q174 N180 | Q174-A178 VanDerWaalsContact O-CB 3.32Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 2.87Å; A178-N180 PolarHBondContact O-N 2.86Å |
| 179 | E | 89.9 | Confident | 92.1 | Very high | 127 Ų | 127 | 55.7 Ų | 55.7 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7.8 | 170.3 | -69.4 | -173.3 | -161.2 | 0 | 0 | 112.8 | R106 A175 I177 | R106-E179 IonicContact CZ-OE2 3.51Å; R106-E179 IonicContact NE-OE2 2.83Å; R106-E179 IonicContact NH2-OE2 2.73Å; R106-E179 PolarHBondContact NH2-OE2 3.38Å; A175-E179 VanDerWaalsContact O-CB 3.28Å; A175-E179 WeakPolarHBondContact O-CB 3.36Å; A175-E179 WeakPolarHBondContact O-CG 3.27Å; A175-E179 PolarHBondContact O-N 3.48Å; I177-E179 PolarHBondContact O-N 3.47Å |
| 180 | N | 91.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | trans | -117 | 100.5 | -173.2 | -165.4 | -18.7 | 0 | 0 | 0 | 111.3 | Q112 I177 A178 R182 L183 E184 | Q112-N180 PolarHBondContact OE1-ND2 2.71Å; Q112-N180 VanDerWaalsContact OE1-ND2 3.1Å; I177-N180 CarbonylContact O-C 3.53Å; I177-N180 PolarHBondContact O-N 3.28Å; I177-N180 VanDerWaalsContact O-O 3.09Å; A178-N180 PolarHBondContact O-N 2.86Å; N180-R182 PolarHBondContact O-N 3.12Å; N180-R182 WeakPolarHBondContact OD1-CB 3.43Å; N180-R182 PolarHBondContact OD1-N 3.07Å; N180-L183 HydrophobicContact CB-CB 4.28Å; N180-L183 HydrophobicContact CB-CD1 4.18Å; N180-L183 HydrophobicContact CB-CG 4.2Å; N180-L183 PolarHBondContact O-N 2.92Å; N180-E184 PolarHBondContact O-N 3.04Å; N180-E184 VanDerWaalsContact O-N 3.08Å | ||
| 181 | I | 92.7 | Very high | 92.4 | Very high | 148 Ų | 148 | 52.1 Ų | 52.1 | 76% | 0.759 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -25.5 | 178.4 | -58.2 | 165 | 0 | 0 | 0 | 112.7 | ||
| 182 | R | 92.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 40% | 0.404 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23.2 | 175.4 | -63.4 | -163.7 | 64.9 | 170.3 | 3.7 | 114.5 | E52 Y116 N180 | E52-R182 IonicContact OE1-CZ 3.84Å; E52-R182 VanDerWaalsContact OE1-CZ 3.24Å; E52-R182 IonicContact OE1-NH1 3.72Å; E52-R182 PolarHBondContact OE1-NH1 3.02Å; E52-R182 IonicContact OE1-NH2 2.74Å; E52-R182 PolarHBondContact OE1-NH2 3.43Å; Y116-R182 HydrophobicContact CD2-CB 4.41Å; Y116-R182 WeakPolarHBondContact CD2-O 3.47Å; N180-R182 PolarHBondContact O-N 3.12Å; N180-R182 WeakPolarHBondContact OD1-CB 3.43Å; N180-R182 PolarHBondContact OD1-N 3.07Å |
| 183 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -13.6 | -173.8 | -56.7 | -179 | 0 | 0 | 0 | 112.6 | L107 L115 I177 N180 G185 G186 | L107-L183 HydrophobicContact CD1-CD1 3.54Å; L115-L183 HydrophobicContact CB-CD1 4.48Å; L115-L183 HydrophobicContact CB-CD2 3.89Å; I177-L183 HydrophobicContact CD1-CB 4.03Å; I177-L183 HydrophobicContact CD1-CD1 3.85Å; I177-L183 HydrophobicContact CG2-CB 4.06Å; I177-L183 VanDerWaalsContact CG2-O 3.29Å; I177-L183 WeakPolarHBondContact CG2-O 3.31Å; N180-L183 HydrophobicContact CB-CB 4.28Å; N180-L183 HydrophobicContact CB-CD1 4.18Å; N180-L183 HydrophobicContact CB-CG 4.2Å; N180-L183 PolarHBondContact O-N 2.92Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.89Å; L183-G186 WeakPolarHBondContact O-CA 3.29Å; L183-G186 PolarHBondContact O-N 2.94Å |
| 184 | E | 92.7 | Very high | 92.6 | Very high | 112 Ų | 112 | 51.6 Ų | 51.6 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -47.8 | -44.7 | -178.9 | -172.8 | 176.5 | 178.9 | 0 | 0 | 113.4 | N180 G186 L187 | N180-E184 PolarHBondContact O-N 3.04Å; N180-E184 VanDerWaalsContact O-N 3.08Å; E184-G186 PolarHBondContact O-N 3.39Å; E184-L187 WeakPolarHBondContact O-CB 3.45Å; E184-L187 PolarHBondContact O-N 2.91Å |
| 185 | G | 89.5 | Confident | 92.6 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -62.3 | -23.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L183 | L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.89Å |
| 186 | G | 92.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -89.3 | 6.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L183 E184 L189 W190 | L183-G186 WeakPolarHBondContact O-CA 3.29Å; L183-G186 PolarHBondContact O-N 2.94Å; E184-G186 PolarHBondContact O-N 3.39Å; G186-L189 PolarHBondContact O-N 3.26Å; G186-W190 PolarHBondContact O-N 2.73Å |
| 187 | L | 92.9 | Very high | 92.4 | Very high | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | -179.4 | -177.7 | 61.8 | 0 | 0 | 0 | 112.3 | Q174 I177 E184 L189 W190 E191 W194 | Q174-L187 HydrophobicContact CG-CD1 3.97Å; I177-L187 HydrophobicContact CB-CD1 4.27Å; I177-L187 HydrophobicContact CG2-CB 4Å; I177-L187 HydrophobicContact CG2-CD1 3.96Å; E184-L187 WeakPolarHBondContact O-CB 3.45Å; E184-L187 PolarHBondContact O-N 2.91Å; L187-L189 VanDerWaalsContact C-N 3.31Å; L187-L189 PolarHBondContact O-N 3.29Å; L187-W190 PolarHBondContact O-N 3.07Å; L187-W190 VanDerWaalsContact O-N 3.09Å; L187-E191 HydrophobicContact CD1-CG 4Å; L187-E191 HydrophobicContact CG-CG 4.11Å; L187-E191 WeakPolarHBondContact CG-OE1 3.46Å; L187-E191 WeakPolarHBondContact O-CG 3.5Å; L187-E191 PolarHBondContact O-N 3.36Å; L187-W194 HydrophobicContact CD1-CZ3 4.19Å |
| 188 | S | 93 | Very high | 92 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -38.8 | 179 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | F123 A192 | F123-S188 WeakPolarHBondContact CZ-OG 3.48Å; S188-A192 PolarHBondContact O-N 3.33Å |
| 189 | L | 94.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.9 | -50.5 | 172.7 | 173.3 | 65.4 | 0 | 0 | 0 | 110.8 | V122 F123 F161 G186 L187 L193 P199 F204 | V122-L189 HydrophobicContact CG1-CD2 4.13Å; F123-L189 HydrophobicContact CE2-CB 3.86Å; F123-L189 HydrophobicContact CE2-CD2 4.33Å; F123-L189 HydrophobicContact CZ-CB 3.8Å; F161-L189 HydrophobicContact CZ-CD1 4.34Å; F161-L189 HydrophobicContact CZ-CD2 4.23Å; G186-L189 PolarHBondContact O-N 3.26Å; L187-L189 VanDerWaalsContact C-N 3.31Å; L187-L189 PolarHBondContact O-N 3.29Å; L189-L193 HydrophobicContact CD1-CD1 3.88Å; L189-L193 HydrophobicContact CD1-CG 4.39Å; L189-L193 HydrophobicContact CG-CD1 4.16Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.41Å; L189-P199 HydrophobicContact CD1-CB 3.77Å; L189-P199 HydrophobicContact CD1-CG 3.61Å; L189-F204 HydrophobicContact CD1-CE2 3.94Å; L189-F204 HydrophobicContact CD1-CZ 4.35Å |
| 190 | W | 94.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 69.7 Ų | 69.7 | 2% | 0.019 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | -179.8 | -69.4 | 114.2 | 0 | 0 | 0 | 112.6 | L115 H119 I169 V172 I177 G186 L187 L193 W194 | L115-W190 HydrophobicContact CD1-CZ2 4.16Å; L115-W190 HydrophobicContact CD2-CZ2 3.9Å; H119-W190 AromaticContact CE1-CD1 3.99Å; H119-W190 AromaticContact CE1-NE1 3.45Å; H119-W190 PolarHBondContact CE1-NE1 2.75Å; H119-W190 AromaticContact NE2-CD1 3.56Å; H119-W190 AromaticContact NE2-CE2 3.98Å; H119-W190 AromaticContact NE2-NE1 3.03Å; H119-W190 PolarHBondContact NE2-NE1 3.32Å; I169-W190 HydrophobicContact CG1-CE3 4Å; I169-W190 HydrophobicContact CG1-CZ3 3.95Å; V172-W190 HydrophobicContact CB-CE3 4.46Å; V172-W190 HydrophobicContact CB-CH2 4.36Å; V172-W190 HydrophobicContact CB-CZ2 4.46Å; V172-W190 HydrophobicContact CB-CZ3 4.34Å; V172-W190 HydrophobicContact CG1-CD2 4.34Å; V172-W190 HydrophobicContact CG1-CZ2 4.39Å; V172-W190 HydrophobicContact CG2-CH2 3.73Å; V172-W190 HydrophobicContact CG2-CZ2 3.91Å; V172-W190 HydrophobicContact CG2-CZ3 4.13Å; I177-W190 HydrophobicContact CG1-CG 4.4Å; G186-W190 PolarHBondContact O-N 2.73Å; L187-W190 PolarHBondContact O-N 3.07Å; L187-W190 VanDerWaalsContact O-N 3.09Å; W190-L193 PolarHBondContact O-N 3.27Å; W190-W194 HydrophobicContact CB-CD2 4.16Å; W190-W194 HydrophobicContact CB-CE3 3.93Å; W190-W194 HydrophobicContact CB-CH2 3.45Å; W190-W194 VanDerWaalsContact CB-CH2 3.45Å; W190-W194 HydrophobicContact CB-CZ2 3.74Å; W190-W194 HydrophobicContact CB-CZ3 3.57Å; W190-W194 HydrophobicContact CD2-CZ2 4.42Å; W190-W194 HydrophobicContact CE3-CZ2 4.47Å; W190-W194 HydrophobicContact CG-CH2 4.09Å; W190-W194 HydrophobicContact CG-CZ2 4.16Å; W190-W194 WeakPolarHBondContact O-CB 3.46Å; W190-W194 VanDerWaalsContact O-CD2 3.24Å; W190-W194 VanDerWaalsContact O-CG 3.29Å; W190-W194 PolarHBondContact O-N 2.77Å |
| 191 | E | 93.9 | Very high | 91.5 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 179 | -73.7 | -177.8 | 168.7 | 0 | 0 | 112.6 | Q174 L187 W194 N195 | Q174-E191 PolarHBondContact NE2-OE1 3.08Å; L187-E191 HydrophobicContact CD1-CG 4Å; L187-E191 HydrophobicContact CG-CG 4.11Å; L187-E191 WeakPolarHBondContact CG-OE1 3.46Å; L187-E191 WeakPolarHBondContact O-CG 3.5Å; L187-E191 PolarHBondContact O-N 3.36Å; E191-W194 HydrophobicContact CG-CE3 4.07Å; E191-W194 HydrophobicContact CG-CZ3 4.07Å; E191-N195 PolarHBondContact O-N 2.84Å; E191-N195 PolarHBondContact O-ND2 3.22Å |
| 192 | A | 92.5 | Very high | 91 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | S188 W194 N195 Y196 Q197 P199 | S188-A192 PolarHBondContact O-N 3.33Å; A192-W194 PolarHBondContact O-N 3.01Å; A192-N195 CarbonylContact O-C 3.41Å; A192-N195 PolarHBondContact O-N 3.2Å; A192-Y196 PolarHBondContact O-N 3.18Å; A192-Q197 CarbonylContact C-O 3.54Å; A192-Q197 PolarHBondContact O-N 3.08Å; A192-P199 HydrophobicContact CB-CB 4.24Å; A192-P199 HydrophobicContact CB-CG 4.25Å |
| 193 | L | 92.4 | Very high | 90.6 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | -177.2 | -64.2 | 176.5 | 0 | 0 | 0 | 113 | F161 I166 I169 L189 W190 N195 Y196 P199 | F161-L193 HydrophobicContact CE1-CD1 3.94Å; F161-L193 HydrophobicContact CZ-CD1 4.17Å; I166-L193 HydrophobicContact CD1-CB 4.35Å; I166-L193 HydrophobicContact CD1-CD1 3.9Å; I166-L193 HydrophobicContact CD1-CD2 3.7Å; I166-L193 HydrophobicContact CD1-CG 4.19Å; I169-L193 HydrophobicContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-CB 3.42Å; I169-L193 VanDerWaalsContact CD1-O 3.3Å; I169-L193 WeakPolarHBondContact CD1-O 3.49Å; I169-L193 HydrophobicContact CG1-CB 4.45Å; L189-L193 HydrophobicContact CD1-CD1 3.88Å; L189-L193 HydrophobicContact CD1-CG 4.39Å; L189-L193 HydrophobicContact CG-CD1 4.16Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.41Å; W190-L193 PolarHBondContact O-N 3.27Å; L193-N195 PolarHBondContact O-N 3.18Å; L193-Y196 PolarHBondContact O-N 3.21Å; L193-P199 HydrophobicContact CD2-CG 3.62Å; L193-P199 HydrophobicContact CG-CG 3.9Å |
| 194 | W | 93.6 | Very high | 90.1 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.7 | -28.7 | 175.8 | -72.6 | -42.9 | 0 | 0 | 0 | 112.1 | I169 V172 Q174 I177 L187 W190 E191 A192 Y196 | I169-W194 HydrophobicContact CD1-CG 4.16Å; I169-W194 PolarHBondContact O-NE1 3.45Å; V172-W194 HydrophobicContact CB-CZ2 4.22Å; V172-W194 HydrophobicContact CG1-CZ2 4.01Å; V172-W194 VanDerWaalsContact O-CZ2 3.27Å; V172-W194 WeakPolarHBondContact O-CZ2 3.37Å; V172-W194 PolarHBondContact O-NE1 2.96Å; Q174-W194 VanDerWaalsContact CA-CH2 3.48Å; Q174-W194 HydrophobicContact CB-CH2 4.2Å; Q174-W194 HydrophobicContact CB-CZ3 3.96Å; Q174-W194 HydrophobicContact CG-CZ3 4.03Å; I177-W194 HydrophobicContact CG1-CH2 4.33Å; L187-W194 HydrophobicContact CD1-CZ3 4.19Å; W190-W194 HydrophobicContact CB-CD2 4.16Å; W190-W194 HydrophobicContact CB-CE3 3.93Å; W190-W194 HydrophobicContact CB-CH2 3.45Å; W190-W194 VanDerWaalsContact CB-CH2 3.45Å; W190-W194 HydrophobicContact CB-CZ2 3.74Å; W190-W194 HydrophobicContact CB-CZ3 3.57Å; W190-W194 HydrophobicContact CD2-CZ2 4.42Å; W190-W194 HydrophobicContact CE3-CZ2 4.47Å; W190-W194 HydrophobicContact CG-CH2 4.09Å; W190-W194 HydrophobicContact CG-CZ2 4.16Å; W190-W194 WeakPolarHBondContact O-CB 3.46Å; W190-W194 VanDerWaalsContact O-CD2 3.24Å; W190-W194 VanDerWaalsContact O-CG 3.29Å; W190-W194 PolarHBondContact O-N 2.77Å; E191-W194 HydrophobicContact CG-CE3 4.07Å; E191-W194 HydrophobicContact CG-CZ3 4.07Å; A192-W194 PolarHBondContact O-N 3.01Å; W194-Y196 VanDerWaalsContact C-N 3.3Å |
| 195 | N | 92.4 | Very high | 89.6 | Confident | 106 Ų | 106 | 61 Ų | 61 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6.8 | 173.8 | -71.8 | -68.8 | 0 | 0 | 0 | 113.4 | E191 A192 L193 Q197 | E191-N195 PolarHBondContact O-N 2.84Å; E191-N195 PolarHBondContact O-ND2 3.22Å; A192-N195 CarbonylContact O-C 3.41Å; A192-N195 PolarHBondContact O-N 3.2Å; L193-N195 PolarHBondContact O-N 3.18Å; N195-Q197 HydrophobicContact CB-CG 4.21Å; N195-Q197 PolarHBondContact O-N 2.98Å |
| 196 | Y | 88.4 | Confident | 89 | Confident | 213 Ų | 213 | 59.5 Ų | 59.5 | 84% | 0.835 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 28.9 | -175.4 | -50.5 | -87.7 | 0 | 0 | 0 | 113.9 | A192 L193 W194 | A192-Y196 PolarHBondContact O-N 3.18Å; L193-Y196 PolarHBondContact O-N 3.21Å; W194-Y196 VanDerWaalsContact C-N 3.3Å |
| 197 | Q | 88.5 | Confident | 87.9 | Confident | 127 Ų | 127 | 64.1 Ų | 64.1 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 157.7 | 178.3 | -65.4 | 179.1 | -3.2 | 0 | 0 | 111.3 | A192 N195 | A192-Q197 CarbonylContact C-O 3.54Å; A192-Q197 PolarHBondContact O-N 3.08Å; N195-Q197 HydrophobicContact CB-CG 4.21Å; N195-Q197 PolarHBondContact O-N 2.98Å |
| 198 | Q | 85 | Confident | 86.6 | Confident | 138 Ų | 138 | 66.7 Ų | 66.7 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -68 | 129.5 | 170.2 | -175.2 | 178 | -69 | 0 | 0 | 109.4 | D200 F204 | Q198-D200 PolarHBondContact O-N 3Å; Q198-F204 HydrophobicContact CG-CB 4.42Å |
| 199 | P | 90.4 | Very high | 85 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 133.8 | 171.9 | -22 | 34.1 | 0 | 0 | 0 | 111.3 | L189 A192 L193 V201 F204 | L189-P199 HydrophobicContact CD1-CB 3.77Å; L189-P199 HydrophobicContact CD1-CG 3.61Å; A192-P199 HydrophobicContact CB-CB 4.24Å; A192-P199 HydrophobicContact CB-CG 4.25Å; L193-P199 HydrophobicContact CD2-CG 3.62Å; L193-P199 HydrophobicContact CG-CG 3.9Å; P199-V201 HydrophobicContact CB-CG2 4.1Å; P199-V201 PolarHBondContact O-N 3.13Å; P199-F204 HydrophobicContact CB-CB 4.42Å; P199-F204 HydrophobicContact CB-CD2 4.13Å; P199-F204 HydrophobicContact CB-CG 4.31Å; P199-F204 HydrophobicContact CG-CB 4.49Å; P199-F204 HydrophobicContact CG-CD1 4.41Å; P199-F204 HydrophobicContact CG-CD2 4.2Å; P199-F204 HydrophobicContact CG-CG 4.12Å |
| 200 | D | 86.2 | Confident | 83.3 | Confident | 157 Ų | 157 | 75.3 Ų | 75.3 | 84% | 0.84 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -77 | 69.9 | 171.9 | -169.6 | 21.2 | 0 | 0 | 0 | 110.3 | Q198 | Q198-D200 PolarHBondContact O-N 3Š|
| 201 | V | 86 | Confident | 81.3 | Confident | 15 Ų | 15 | 83.8 Ų | 83.8 | 9% | 0.091 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -142.1 | 136.1 | -179.4 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | V122 F123 P199 C203 F204 A205 | V122-V201 HydrophobicContact CG1-CG1 3.87Å; V122-V201 WeakPolarHBondContact O-CG1 3.33Å; F123-V201 HydrophobicContact CD1-CG1 4.25Å; F123-V201 HydrophobicContact CD1-CG2 4.21Å; F123-V201 HydrophobicContact CE1-CG1 4.33Å; F123-V201 HydrophobicContact CE1-CG2 3.48Å; F123-V201 VanDerWaalsContact CE1-CG2 3.48Å; F123-V201 HydrophobicContact CZ-CG2 3.81Å; P199-V201 HydrophobicContact CB-CG2 4.1Å; P199-V201 PolarHBondContact O-N 3.13Å; V201-C203 PolarHBondContact O-N 3.26Å; V201-F204 HydrophobicContact CB-CD2 4.28Å; V201-F204 PolarHBondContact O-N 2.87Å; V201-A205 PolarHBondContact O-N 2.7Å |
| 202 | L | 83 | Confident | 78.9 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -49.5 | -40.1 | -171.2 | -63.9 | 175.6 | 0 | 0 | 0 | 114.1 | L148 F204 A205 S206 | L148-L202 HydrophobicContact CD1-CD1 4.17Å; L148-L202 HydrophobicContact CD2-CD1 4Å; L202-F204 PolarHBondContact O-N 3.03Å; L202-A205 PolarHBondContact O-N 2.92Å; L202-S206 WeakPolarHBondContact O-CB 3.31Å; L202-S206 PolarHBondContact O-N 3.36Å |
| 203 | C | 84.5 | Confident | 76.5 | Confident | 20 Ų | 20 | 87.9 Ų | 87.9 | 14% | 0.135 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -73 | -10.5 | -179.3 | 65.4 | 0 | 0 | 0 | 0 | 115.2 | L153 I158 V201 | L153-C203 HydrophobicContact CB-CB 4.3Å; L153-C203 HydrophobicContact CD1-CB 3.97Å; L153-C203 HydrophobicContact CG-CB 4.41Å; I158-C203 HydrophobicContact CD1-CB 3.92Å; I158-C203 WeakPolarHBondContact CG1-O 3.34Å; V201-C203 PolarHBondContact O-N 3.26Å |
| 204 | F | 85.7 | Confident | 74.1 | Confident | 33 Ų | 33 | 94.3 Ų | 94.3 | 15% | 0.145 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -108.5 | -25.8 | 171.6 | -65.4 | -86 | 0 | 0 | 0 | 113 | V122 I158 F161 L189 Q198 P199 V201 L202 | V122-F204 HydrophobicContact CG1-CE2 4.03Å; I158-F204 HydrophobicContact CG2-CD1 3.75Å; I158-F204 HydrophobicContact CG2-CE1 3.74Å; F161-F204 AromaticContact CD1-CE1 3.75Å; F161-F204 HydrophobicContact CD1-CE1 3.75Å; F161-F204 AromaticContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD1-CZ 3.62Å; F161-F204 HydrophobicContact CD2-CZ 4.25Å; F161-F204 AromaticContact CE1-CE1 3.91Å; F161-F204 HydrophobicContact CE1-CE1 3.91Å; F161-F204 AromaticContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE1-CZ 3.55Å; F161-F204 HydrophobicContact CE2-CZ 4.16Å; F161-F204 HydrophobicContact CG-CE1 4.39Å; F161-F204 HydrophobicContact CG-CZ 4.02Å; F161-F204 AromaticContact CZ-CZ 3.83Å; F161-F204 HydrophobicContact CZ-CZ 3.83Å; L189-F204 HydrophobicContact CD1-CE2 3.94Å; L189-F204 HydrophobicContact CD1-CZ 4.35Å; Q198-F204 HydrophobicContact CG-CB 4.42Å; P199-F204 HydrophobicContact CB-CB 4.42Å; P199-F204 HydrophobicContact CB-CD2 4.13Å; P199-F204 HydrophobicContact CB-CG 4.31Å; P199-F204 HydrophobicContact CG-CB 4.49Å; P199-F204 HydrophobicContact CG-CD1 4.41Å; P199-F204 HydrophobicContact CG-CD2 4.2Å; P199-F204 HydrophobicContact CG-CG 4.12Å; V201-F204 HydrophobicContact CB-CD2 4.28Å; V201-F204 PolarHBondContact O-N 2.87Å; L202-F204 PolarHBondContact O-N 3.03Å |
| 205 | A | 82.3 | Confident | 71.8 | Confident | 44 Ų | 44 | 95.7 Ų | 95.7 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -103.1 | -12 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V201 L202 | V201-A205 PolarHBondContact O-N 2.7Å; L202-A205 PolarHBondContact O-N 2.92Å |
| 206 | S | 75.9 | Confident | 69.4 | Low | 30 Ų | 30 | 98.6 Ų | 98.6 | 21% | 0.21 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -64.4 | 139.1 | -178.8 | 169.6 | 0 | 0 | 0 | 0 | 112.8 | L152 L202 V208 | L152-S206 WeakPolarHBondContact CD1-OG 3.49Å; L202-S206 WeakPolarHBondContact O-CB 3.31Å; L202-S206 PolarHBondContact O-N 3.36Å; S206-V208 PolarHBondContact O-N 3.45Å |
| 207 | P | 69.2 | Low | 67.3 | Low | 99 Ų | 99 | 91.4 Ų | 91.4 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | trans | -64.8 | 129.4 | 173.1 | 27.9 | -34.8 | 0 | 0 | 0 | 111.1 | ||||
| 208 | V | 66.8 | Low | 65.3 | Low | 89 Ų | 89 | 88.7 Ų | 88.7 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | trans | -109.1 | 109.1 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | M155 S206 P210 | M155-V208 HydrophobicContact CE-CB 4.21Å; M155-V208 HydrophobicContact CE-CG1 4.24Å; M155-V208 HydrophobicContact CE-CG2 4Å; S206-V208 PolarHBondContact O-N 3.45Å; V208-P210 WeakPolarHBondContact O-CD 3Å | ||
| 209 | K | 59.5 | Low | 63.3 | Low | 133 Ų | 133 | 86.1 Ų | 86.1 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | trans | -57.1 | 118.3 | 175.7 | -168.8 | 170.2 | -161.8 | 135.4 | 0 | 111 | K211 E311 | K209-K211 PolarHBondContact O-N 3.4Å; K209-E311 WeakPolarHBondContact CD-OE1 3.27Å; K209-E311 WeakPolarHBondContact CE-OE1 3.33Å; K209-E311 IonicContact NZ-OE1 2.63Å; K209-E311 PolarHBondContact NZ-OE1 2.75Å; K209-E311 IonicContact NZ-OE2 2.65Å; K209-E311 PolarHBondContact NZ-OE2 2.8Å | ||
| 210 | P | 57.9 | Low | 61.1 | Low | 114 Ų | 114 | 92.1 Ų | 92.1 | 74% | 0.74 | 51% | 0.51 | S | S | * | . | trans | -65.7 | 112.4 | -179.9 | 25.5 | -33.1 | 0 | 0 | 0 | 109.4 | V208 S212 | V208-P210 WeakPolarHBondContact O-CD 3Å; P210-S212 PolarHBondContact O-N 2.91Å | ||
| 211 | K | 53.5 | Low | 59.3 | Low | 183 Ų | 183 | 88.1 Ų | 88.1 | 80% | 0.796 | 49% | 0.489 | S | S | * | . | trans | -68.4 | 96.3 | 175.5 | -71.8 | 170.2 | -173.2 | 154.5 | 0 | 108.4 | K209 S213 | K209-K211 PolarHBondContact O-N 3.4Å; K211-S213 VanDerWaalsContact C-N 3.34Å; K211-S213 PolarHBondContact O-N 3.04Å | ||
| 212 | S | 43.9 | Very low | 57.4 | Low | 108 Ų | 108 | 96.8 Ų | 96.8 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | trans | -55.7 | 100.8 | 170.4 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | P210 Q214 | P210-S212 PolarHBondContact O-N 2.91Å; S212-Q214 PolarHBondContact O-N 2.97Å | ||
| 213 | S | 41.4 | Very low | 55.6 | Low | 58 Ų | 58 | 101.9 Ų | 101.9 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | trans | -66.2 | 127.4 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 108 | K211 L215 M216 | K211-S213 VanDerWaalsContact C-N 3.34Å; K211-S213 PolarHBondContact O-N 3.04Å; S213-L215 PolarHBondContact O-N 3Å; S213-L215 WeakPolarHBondContact OG-CB 3.18Å; S213-L215 VanDerWaalsContact OG-CG 3.27Å; S213-L215 WeakPolarHBondContact OG-CG 3.39Å; S213-L215 PolarHBondContact OG-N 3.18Å; S213-M216 WeakPolarHBondContact O-CB 3.14Å; S213-M216 PolarHBondContact O-N 3.45Å | ||
| 214 | Q | 43.1 | Very low | 53.6 | Low | 154 Ų | 154 | 105 Ų | 105 | 72% | 0.72 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -59.6 | -12.9 | 175.3 | -64 | -172.3 | -5 | 0 | 0 | 111.9 | S212 M216 C217 | S212-Q214 PolarHBondContact O-N 2.97Å; Q214-M216 PolarHBondContact O-N 3.01Å; Q214-C217 WeakPolarHBondContact O-CA 3.48Å; Q214-C217 VanDerWaalsContact O-CB 3.29Å; Q214-C217 WeakPolarHBondContact O-CB 3.03Å; Q214-C217 PolarHBondContact O-N 3.25Å |
| 215 | L | 44.1 | Very low | 51.5 | Low | 87 Ų | 87 | 110 Ų | 110 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -68.8 | -14.8 | 171.8 | -45 | -178 | 0 | 0 | 0 | 113.7 | S213 C217 L218 P219 | S213-L215 PolarHBondContact O-N 3Å; S213-L215 WeakPolarHBondContact OG-CB 3.18Å; S213-L215 VanDerWaalsContact OG-CG 3.27Å; S213-L215 WeakPolarHBondContact OG-CG 3.39Å; S213-L215 PolarHBondContact OG-N 3.18Å; L215-C217 PolarHBondContact O-N 2.98Å; L215-L218 HydrophobicContact CB-CD1 4.2Å; L215-L218 HydrophobicContact CB-CG 4.2Å; L215-L218 HydrophobicContact CD2-CD1 3.67Å; L215-L218 HydrophobicContact CD2-CG 3.78Å; L215-L218 HydrophobicContact CG-CD1 4.39Å; L215-L218 VanDerWaalsContact O-CB 3.31Å; L215-L218 WeakPolarHBondContact O-CB 3.48Å; L215-L218 PolarHBondContact O-N 3.07Å; L215-P219 WeakPolarHBondContact O-CD 3.34Å |
| 216 | M | 43.4 | Very low | 49.4 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -61.1 | -23.7 | 162.4 | -75.6 | -62.6 | -162.9 | 0 | 0 | 112.1 | S213 Q214 P219 | S213-M216 WeakPolarHBondContact O-CB 3.14Å; S213-M216 PolarHBondContact O-N 3.45Å; Q214-M216 PolarHBondContact O-N 3.01Å; M216-P219 WeakPolarHBondContact O-CD 3.34Å |
| 217 | C | 42.6 | Very low | 47.8 | Very low | 62 Ų | 62 | 119.3 Ų | 119.3 | 42% | 0.419 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -91.8 | -4.1 | 170.6 | -157.7 | 0 | 0 | 0 | 0 | 112.9 | Q214 L215 M220 L221 | Q214-C217 WeakPolarHBondContact O-CA 3.48Å; Q214-C217 VanDerWaalsContact O-CB 3.29Å; Q214-C217 WeakPolarHBondContact O-CB 3.03Å; Q214-C217 PolarHBondContact O-N 3.25Å; L215-C217 PolarHBondContact O-N 2.98Å; C217-M220 WeakPolarHBondContact O-CB 3.47Å; C217-M220 PolarHBondContact O-N 2.86Å; C217-M220 VanDerWaalsContact O-N 3.08Å; C217-L221 HydrophobicContact CB-CD1 4.16Å; C217-L221 PolarHBondContact O-N 3.01Å |
| 218 | L | 47.5 | Very low | 46.4 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 37% | 0.372 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.2 | -37.4 | 175.3 | -90.7 | -168.9 | 0 | 0 | 0 | 113.6 | L215 M220 L221 R222 | L215-L218 HydrophobicContact CB-CD1 4.2Å; L215-L218 HydrophobicContact CB-CG 4.2Å; L215-L218 HydrophobicContact CD2-CD1 3.67Å; L215-L218 HydrophobicContact CD2-CG 3.78Å; L215-L218 HydrophobicContact CG-CD1 4.39Å; L215-L218 VanDerWaalsContact O-CB 3.31Å; L215-L218 WeakPolarHBondContact O-CB 3.48Å; L215-L218 PolarHBondContact O-N 3.07Å; L218-M220 PolarHBondContact O-N 3.49Å; L218-L221 HydrophobicContact CD2-CB 4.37Å; L218-L221 PolarHBondContact O-N 3.44Å; L218-R222 WeakPolarHBondContact O-CA 3.31Å; L218-R222 WeakPolarHBondContact O-CB 3.38Å; L218-R222 PolarHBondContact O-N 3.34Å |
| 219 | P | 43.8 | Very low | 45.3 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -58.8 | -28.3 | 174.9 | -27.2 | 36.5 | 0 | 0 | 0 | 114 | L215 M216 | L215-P219 WeakPolarHBondContact O-CD 3.34Å; M216-P219 WeakPolarHBondContact O-CD 3.34Å |
| 220 | M | 43.9 | Very low | 44.6 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 64% | 0.635 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82.1 | -53.6 | 172.5 | -70.5 | -72.1 | 132.9 | 0 | 0 | 111.2 | C217 L218 R222 R223 A224 | C217-M220 WeakPolarHBondContact O-CB 3.47Å; C217-M220 PolarHBondContact O-N 2.86Å; C217-M220 VanDerWaalsContact O-N 3.08Å; L218-M220 PolarHBondContact O-N 3.49Å; M220-R222 VanDerWaalsContact C-N 3.29Å; M220-R222 PolarHBondContact O-N 3.44Å; M220-R223 PolarHBondContact O-N 3.43Å; M220-R223 VanDerWaalsContact O-N 3.08Å; M220-A224 PolarHBondContact O-N 3.04Å |
| 221 | L | 46.7 | Very low | 43.8 | Very low | 74 Ų | 74 | 118 Ų | 118 | 39% | 0.387 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.7 | -31.7 | -178 | -71 | 166.6 | 0 | 0 | 0 | 113 | C217 L218 R223 A224 M225 | C217-L221 HydrophobicContact CB-CD1 4.16Å; C217-L221 PolarHBondContact O-N 3.01Å; L218-L221 HydrophobicContact CD2-CB 4.37Å; L218-L221 PolarHBondContact O-N 3.44Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 2.89Å; L221-A224 CarbonylContact O-C 3.58Å; L221-A224 PolarHBondContact O-N 2.81Å; L221-A224 VanDerWaalsContact O-N 3.07Å; L221-M225 WeakPolarHBondContact O-CB 3.34Å; L221-M225 PolarHBondContact O-N 2.93Å |
| 222 | R | 46.5 | Very low | 43.4 | Very low | 196 Ų | 196 | 116.1 Ų | 116.1 | 74% | 0.74 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72 | -15.5 | 177.3 | -164.6 | 177.7 | -162.1 | 166.9 | 4.6 | 113.1 | L218 M220 | L218-R222 WeakPolarHBondContact O-CA 3.31Å; L218-R222 WeakPolarHBondContact O-CB 3.38Å; L218-R222 PolarHBondContact O-N 3.34Å; M220-R222 VanDerWaalsContact C-N 3.29Å; M220-R222 PolarHBondContact O-N 3.44Å |
| 223 | R | 44.9 | Very low | 43.4 | Very low | 206 Ų | 206 | 119.3 Ų | 119.3 | 78% | 0.777 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84 | -34.3 | 164.3 | -80.7 | -173.4 | 167.8 | 113.6 | -5.7 | 112.4 | M220 L221 | M220-R223 PolarHBondContact O-N 3.43Å; M220-R223 VanDerWaalsContact O-N 3.08Å; L221-R223 VanDerWaalsContact C-N 3.25Å; L221-R223 PolarHBondContact O-N 2.89Å |
| 224 | A | 44.1 | Very low | 44.2 | Very low | 85 Ų | 85 | 121.8 Ų | 121.8 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.1 | -32.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M220 L221 | M220-A224 PolarHBondContact O-N 3.04Å; L221-A224 CarbonylContact O-C 3.58Å; L221-A224 PolarHBondContact O-N 2.81Å; L221-A224 VanDerWaalsContact O-N 3.07Å |
| 225 | M | 40.9 | Very low | 44.3 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 68% | 0.68 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 49.3 | 179.6 | -65 | -177.1 | 161.3 | 0 | 0 | 111.4 | L221 P227 | L221-M225 WeakPolarHBondContact O-CB 3.34Å; L221-M225 PolarHBondContact O-N 2.93Å; M225-P227 WeakPolarHBondContact O-CD 3.33Å |
| 226 | Q | 38.2 | Very low | 44.4 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 76% | 0.757 | 68% | 0.678 | S | S | * | * | trans | -59 | 114.1 | 160.3 | -85.5 | -109.8 | 19.2 | 0 | 0 | 108.2 | S228 | Q226-S228 PolarHBondContact O-N 2.68Š| ||
| 227 | P | 41.8 | Very low | 44.3 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | trans | -74.6 | 115.6 | -176 | -7.2 | 22.9 | 0 | 0 | 0 | 109.2 | M225 I229 | M225-P227 WeakPolarHBondContact O-CD 3.33Å; P227-I229 PolarHBondContact O-N 3.25Å | ||
| 228 | S | 40.8 | Very low | 44.1 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | trans | -52.8 | 129.9 | 162.1 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | Q226 A230 G231 | Q226-S228 PolarHBondContact O-N 2.68Å; S228-A230 PolarHBondContact O-N 3.28Å; S228-G231 PolarHBondContact O-N 3.36Å | ||
| 229 | I | 44.3 | Very low | 43.8 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -62.8 | -15.5 | -168.4 | -66.5 | 173.4 | 0 | 0 | 0 | 112.3 | P227 G231 | P227-I229 PolarHBondContact O-N 3.25Å; I229-G231 VanDerWaalsContact C-N 3.29Å; I229-G231 PolarHBondContact O-N 3.13Å |
| 230 | A | 43.5 | Very low | 43.3 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -64.5 | -17.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S228 K232 | S228-A230 PolarHBondContact O-N 3.28Å; A230-K232 PolarHBondContact O-N 3.27Å |
| 231 | G | 40.4 | Very low | 43.2 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -85.9 | 8.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | S228 I229 N233 | S228-G231 PolarHBondContact O-N 3.36Å; I229-G231 VanDerWaalsContact C-N 3.29Å; I229-G231 PolarHBondContact O-N 3.13Å; G231-N233 PolarHBondContact O-N 2.92Å |
| 232 | K | 44.9 | Very low | 42.7 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | -93.4 | 96.6 | -167 | -80.8 | 177.2 | 170.2 | -178.7 | 0 | 114 | A230 I234 | A230-K232 PolarHBondContact O-N 3.27Å; K232-I234 HydrophobicContact CB-CD1 4.29Å; K232-I234 HydrophobicContact CB-CG1 4.14Å; K232-I234 HydrophobicContact CD-CD1 3.93Å; K232-I234 HydrophobicContact CG-CD1 4.1Å; K232-I234 HydrophobicContact CG-CG1 4.39Å; K232-I234 PolarHBondContact O-N 3.31Å | ||
| 233 | N | 45.6 | Very low | 42.3 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 94% | 0.936 | 76% | 0.755 | S | S | * | * | trans | -70 | 46.3 | 161.9 | -72.2 | -21.1 | 0 | 0 | 0 | 112.6 | G231 | G231-N233 PolarHBondContact O-N 2.92Š| ||
| 234 | I | 57.3 | Low | 41.9 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 57% | 0.569 | 76% | 0.755 | S | S | * | * | trans | -93.7 | 104.5 | 174.7 | -59.5 | -179.6 | 0 | 0 | 0 | 107.6 | K232 M236 | K232-I234 HydrophobicContact CB-CD1 4.29Å; K232-I234 HydrophobicContact CB-CG1 4.14Å; K232-I234 HydrophobicContact CD-CD1 3.93Å; K232-I234 HydrophobicContact CG-CD1 4.1Å; K232-I234 HydrophobicContact CG-CG1 4.39Å; K232-I234 PolarHBondContact O-N 3.31Å; I234-M236 VanDerWaalsContact C-N 3.33Å; I234-M236 HydrophobicContact CG2-CG 4.19Å; I234-M236 PolarHBondContact O-N 2.9Å | ||
| 235 | Y | 45.7 | Very low | 41.5 | Very low | 217 Ų | 217 | 136.6 Ų | 136.6 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -69 | 86.9 | 175.8 | -177.7 | -99.6 | 0 | 0 | 0 | 110.8 | G237 | Y235-G237 PolarHBondContact O-N 3.05Š| ||
| 236 | M | 46.7 | Very low | 41.2 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -78.9 | 109.2 | 165.6 | -67.1 | -166.5 | 74.2 | 0 | 0 | 108.8 | I234 G238 | I234-M236 VanDerWaalsContact C-N 3.33Å; I234-M236 HydrophobicContact CG2-CG 4.19Å; I234-M236 PolarHBondContact O-N 2.9Å; M236-G238 PolarHBondContact O-N 3.08Å | ||
| 237 | G | 40.8 | Very low | 41.4 | Very low | 58 Ų | 58 | 131.9 Ų | 131.9 | 60% | 0.598 | 77% | 0.767 | S | S | * | * | trans | -62.3 | 91.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y235 K239 | Y235-G237 PolarHBondContact O-N 3.05Å; G237-K239 PolarHBondContact O-N 3.48Å | ||
| 238 | G | 37.2 | Very low | 41.4 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 119 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M236 | M236-G238 PolarHBondContact O-N 3.08Š|
| 239 | K | 41.1 | Very low | 41.2 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133 | 171 | -64.8 | 178.9 | -179.1 | 177.1 | 0 | 109.4 | G237 S241 | G237-K239 PolarHBondContact O-N 3.48Å; K239-S241 PolarHBondContact O-N 3.04Å |
| 240 | Q | 34.5 | Very low | 41.1 | Very low | 203 Ų | 203 | 135.3 Ų | 135.3 | 95% | 0.949 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 129.1 | 173.5 | -64.2 | -177.8 | 9.2 | 0 | 0 | 110.7 | ||
| 241 | S | 42 | Very low | 40.9 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -137.1 | 129.5 | 162.4 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | K239 | K239-S241 PolarHBondContact O-N 3.04Š| ||
| 242 | S | 34.9 | Very low | 40.8 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -88.2 | 141.6 | -170.9 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 243 | L | 39.4 | Very low | 40.3 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 179.9 | 93.9 | 154 | -95.8 | 153.3 | 0 | 0 | 0 | 107.7 | ||||
| 244 | K | 35.2 | Very low | 40 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | 55.8 | 108.7 | 91.3 | -68.2 | -173.2 | 176.4 | -176.8 | 0 | 115.8 | |||||
| 245 | T | 36.1 | Very low | 38.8 | Very low | 151 Ų | 151 | 143 Ų | 143 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | -165.9 | 157.9 | 126.8 | -72.8 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 246 | A | 35.5 | Very low | 38.6 | Very low | 86 Ų | 86 | 138.9 Ų | 138.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -115.2 | 159.2 | -158.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 247 | P | 42.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -87.2 | 178.4 | 169.4 | 41.2 | -38.1 | 0 | 0 | 0 | 111.3 | ||||
| 248 | P | 41.3 | Very low | 37.9 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | -120.7 | -159.8 | 81.9 | 40.6 | -33.8 | 0 | 0 | 0 | 111 | |||||
| 249 | E | 37.4 | Very low | 38 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | cis | -156.9 | -179.2 | 12.6 | -137.3 | 167.3 | 88.8 | 0 | 0 | 105.8 | ||||
| 250 | Q | 41.3 | Very low | 37.8 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | cis | -142.6 | -162.5 | 17 | -117.9 | -178.5 | 16.7 | 0 | 0 | 112.6 | ||||
| 251 | E | 40.3 | Very low | 37.9 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 169.2 | -177 | -51.2 | 177.7 | 129.6 | 0 | 0 | 114 | ||||
| 252 | A | 37.1 | Very low | 37.7 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | cis | -148.4 | 165.1 | 17.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 253 | I | 34.4 | Very low | 37.9 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -114.5 | 132.3 | 178.2 | -60.6 | 163.9 | 0 | 0 | 0 | 109.9 | V255 | I253-V255 HydrophobicContact CG2-CG2 4.1Š| ||
| 254 | Q | 39.1 | Very low | 37.8 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -139.4 | 145.6 | 145.6 | -72.3 | -157.7 | 20.7 | 0 | 0 | 111.2 | ||||
| 255 | V | 33.6 | Very low | 37.7 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -125.9 | 141.8 | -174 | 170.2 | 0 | 0 | 0 | 0 | 108.2 | I253 | I253-V255 HydrophobicContact CG2-CG2 4.1Š| ||
| 256 | V | 40.4 | Very low | 37.6 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -166.8 | 128.2 | 143.9 | 134.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 257 | K | 39.6 | Very low | 37.3 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 28.3 | 136.2 | 157.5 | -64 | -176.8 | 173.8 | -180 | 0 | 123.1 | ||||
| 258 | P | 33.2 | Very low | 36.8 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -96.6 | 162.1 | 162.9 | 39.1 | -33.9 | 0 | 0 | 0 | 113.9 | ||||
| 259 | L | 38.3 | Very low | 36.3 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -157.6 | 141.2 | 155.7 | -160.4 | 67 | 0 | 0 | 0 | 109.2 | ||||
| 260 | P | 37.2 | Very low | 36 | Very low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -96.7 | 166.7 | -176.3 | 38.1 | -35.9 | 0 | 0 | 0 | 113.7 | ||||
| 261 | E | 37.5 | Very low | 35.7 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | 165.9 | 149.4 | 116.2 | -169.2 | 156 | 165.2 | 0 | 0 | 113.4 | |||||
| 262 | A | 36.9 | Very low | 35.6 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 48.9 | 97 | 162.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 263 | A | 39.4 | Very low | 35.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -158.2 | 142.8 | 135.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 264 | K | 37 | Very low | 35.7 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -142.2 | 164.3 | 170.5 | -96.7 | -167.4 | 179 | -176 | 0 | 107.4 | ||||
| 265 | P | 34.5 | Very low | 35.5 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -135 | 169.7 | -34.8 | 38.9 | -24 | 0 | 0 | 0 | 112.6 | ||||
| 266 | Q | 32.6 | Very low | 35.9 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 168 | 154.5 | 130.2 | -97.8 | 175.1 | -111.2 | 0 | 0 | 112.9 | ||||
| 267 | E | 29.1 | Very low | 35.9 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | 57.1 | 119.3 | 158.1 | -73.8 | 154.3 | -132.4 | 0 | 0 | 120.3 | ||||
| 268 | G | 32.2 | Very low | 36.1 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 166.7 | 102.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 269 | S | 31.1 | Very low | 36.2 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -36.1 | 138.5 | -177.7 | -160.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 270 | S | 30.3 | Very low | 36.5 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -127.7 | 88.4 | -180 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | A272 | S270-A272 VanDerWaalsContact C-N 3.26Å; S270-A272 PolarHBondContact O-N 3.26Å | ||
| 271 | D | 36.2 | Very low | 36.8 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -77.9 | 74.6 | 166.8 | -69.5 | -52.3 | 0 | 0 | 0 | 110.7 | V273 | D271-V273 PolarHBondContact O-N 2.97Š| ||
| 272 | A | 37.5 | Very low | 36.8 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -85.5 | 104.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S270 E274 | S270-A272 VanDerWaalsContact C-N 3.26Å; S270-A272 PolarHBondContact O-N 3.26Å; A272-E274 PolarHBondContact O-N 3.24Å; A272-E274 VanDerWaalsContact O-N 3.12Å | ||
| 273 | V | 39 | Very low | 37.2 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -71.7 | 104.7 | 176 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | D271 F275 | D271-V273 PolarHBondContact O-N 2.97Å; V273-F275 HydrophobicContact CB-CE2 4.45Å; V273-F275 HydrophobicContact CG1-CD2 4.02Å; V273-F275 HydrophobicContact CG1-CE2 3.82Å; V273-F275 PolarHBondContact O-N 2.94Å | ||
| 274 | E | 34.9 | Very low | 37.3 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -73.3 | 95.4 | 179.7 | -170.6 | 174 | -163 | 0 | 0 | 111.4 | A272 S276 | A272-E274 PolarHBondContact O-N 3.24Å; A272-E274 VanDerWaalsContact O-N 3.12Å; E274-S276 PolarHBondContact O-N 3.31Å | ||
| 275 | F | 35.8 | Very low | 37.9 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -72.1 | 94.4 | 171.4 | -87.2 | -95.9 | 0 | 0 | 0 | 110.4 | V273 D277 | V273-F275 HydrophobicContact CB-CE2 4.45Å; V273-F275 HydrophobicContact CG1-CD2 4.02Å; V273-F275 HydrophobicContact CG1-CE2 3.82Å; V273-F275 PolarHBondContact O-N 2.94Å; F275-D277 PolarHBondContact O-N 3.3Å | ||
| 276 | S | 41.7 | Very low | 38.4 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | -68.3 | 109 | 171.5 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | E274 R278 | E274-S276 PolarHBondContact O-N 3.31Å; S276-R278 PolarHBondContact O-N 2.89Å | ||
| 277 | D | 40.8 | Very low | 39.1 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 91% | 0.914 | 69% | 0.692 | S | S | * | * | trans | -77 | 35.8 | -172.7 | -150.3 | 14.5 | 0 | 0 | 0 | 113.4 | F275 | F275-D277 PolarHBondContact O-N 3.3Š| ||
| 278 | R | 42.9 | Very low | 39.8 | Very low | 217 Ų | 217 | 119.7 Ų | 119.7 | 82% | 0.819 | 68% | 0.681 | S | S | * | * | trans | -109.2 | 102.8 | -178.7 | -70 | -173.5 | 177.5 | 178.7 | 2.1 | 110.3 | S276 | S276-R278 PolarHBondContact O-N 2.89Š| ||
| 279 | A | 35.1 | Very low | 40.4 | Very low | 82 Ų | 82 | 122.4 Ų | 122.4 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | -53.3 | 131.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L281 | A279-L281 PolarHBondContact O-N 3.2Š| ||
| 280 | P | 45.1 | Very low | 40.8 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | trans | -66.2 | 110.5 | -177.8 | 25.7 | -33.3 | 0 | 0 | 0 | 109.9 | V282 | P280-V282 PolarHBondContact O-N 3.48Å; P280-V282 VanDerWaalsContact O-N 3.09Å | ||
| 281 | L | 43.5 | Very low | 41.1 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -70.5 | 103.6 | 174.6 | -65.2 | 178 | 0 | 0 | 0 | 108.9 | A279 Q283 | A279-L281 PolarHBondContact O-N 3.2Å; L281-Q283 PolarHBondContact O-N 2.78Å | ||
| 282 | V | 38 | Very low | 41.1 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | trans | -54.7 | 123.7 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | P280 E286 I287 | P280-V282 PolarHBondContact O-N 3.48Å; P280-V282 VanDerWaalsContact O-N 3.09Å; V282-E286 WeakPolarHBondContact CA-OE2 3.48Å; V282-E286 HydrophobicContact CG1-CB 4.2Å; V282-I287 HydrophobicContact CG1-CD1 4.14Å; V282-I287 HydrophobicContact CG1-CG1 3.79Å | ||
| 283 | Q | 45 | Very low | 40.9 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 34% | 0.336 | 66% | 0.662 | S | S | . | * | trans | -82.9 | 138.2 | -175 | -55.4 | 167.4 | 7.3 | 0 | 0 | 107.6 | L281 R285 E286 | L281-Q283 PolarHBondContact O-N 2.78Å; Q283-R285 HydrophobicContact CB-CG 3.94Å; Q283-R285 PolarHBondContact O-N 2.86Å; Q283-E286 HydrophobicContact CB-CG 4.08Å; Q283-E286 PolarHBondContact N-OE2 3.48Å; Q283-E286 WeakPolarHBondContact O-CA 3.37Å; Q283-E286 WeakPolarHBondContact O-CB 3.28Å; Q283-E286 PolarHBondContact O-N 3.34Å | ||
| 284 | L | 40.9 | Very low | 40.7 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 71% | 0.707 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -54.1 | -32.7 | -177 | -104.9 | 77.2 | 0 | 0 | 0 | 113 | E286 I287 C288 | L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 2.74Å; L284-I287 WeakPolarHBondContact O-CA 2.95Å; L284-I287 WeakPolarHBondContact O-CB 3.5Å; L284-I287 PolarHBondContact O-N 3.13Å; L284-C288 PolarHBondContact O-N 3.37Å; L284-C288 PolarHBondContact O-SG 3.36Å; L284-C288 VanDerWaalsContact O-SG 3.37Å |
| 285 | R | 49.4 | Very low | 40.9 | Very low | 69 Ų | 69 | 124.6 Ų | 124.6 | 26% | 0.26 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -58.2 | -36.7 | 172.5 | 62.6 | -178.2 | 170.5 | -134.5 | 2 | 113.9 | Q283 I287 C288 E289 | Q283-R285 HydrophobicContact CB-CG 3.94Å; Q283-R285 PolarHBondContact O-N 2.86Å; R285-I287 PolarHBondContact O-N 3.41Å; R285-C288 PolarHBondContact O-N 3.02Å; R285-E289 VanDerWaalsContact O-CB 3.23Å; R285-E289 WeakPolarHBondContact O-CB 3.39Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 2.77Å |
| 286 | E | 44.8 | Very low | 40.8 | Very low | 85 Ų | 85 | 121.8 Ų | 121.8 | 40% | 0.397 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69 | -19.4 | 176.3 | -61 | 165 | 164.6 | 0 | 0 | 112.2 | V282 Q283 L284 N290 | V282-E286 WeakPolarHBondContact CA-OE2 3.48Å; V282-E286 HydrophobicContact CG1-CB 4.2Å; Q283-E286 HydrophobicContact CB-CG 4.08Å; Q283-E286 PolarHBondContact N-OE2 3.48Å; Q283-E286 WeakPolarHBondContact O-CA 3.37Å; Q283-E286 WeakPolarHBondContact O-CB 3.28Å; Q283-E286 PolarHBondContact O-N 3.34Å; L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 2.74Å; E286-N290 PolarHBondContact O-ND2 3.49Å |
| 287 | I | 48.6 | Very low | 40.6 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 54% | 0.544 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -86.6 | -41.2 | 173.1 | -49.3 | 178.3 | 0 | 0 | 0 | 110 | V282 L284 R285 | V282-I287 HydrophobicContact CG1-CD1 4.14Å; V282-I287 HydrophobicContact CG1-CG1 3.79Å; L284-I287 WeakPolarHBondContact O-CA 2.95Å; L284-I287 WeakPolarHBondContact O-CB 3.5Å; L284-I287 PolarHBondContact O-N 3.13Å; R285-I287 PolarHBondContact O-N 3.41Å |
| 288 | C | 43.2 | Very low | 40.4 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.3 | -29.7 | -175.4 | -62.4 | 0 | 0 | 0 | 0 | 115 | L284 R285 N290 | L284-C288 PolarHBondContact O-N 3.37Å; L284-C288 PolarHBondContact O-SG 3.36Å; L284-C288 VanDerWaalsContact O-SG 3.37Å; R285-C288 PolarHBondContact O-N 3.02Å; C288-N290 PolarHBondContact O-N 3.11Å |
| 289 | E | 44.7 | Very low | 39.8 | Very low | 134 Ų | 134 | 112.7 Ų | 112.7 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -7.8 | -177.1 | -75.6 | 172.3 | -169.1 | 0 | 0 | 113.8 | R285 | R285-E289 VanDerWaalsContact O-CB 3.23Å; R285-E289 WeakPolarHBondContact O-CB 3.39Å; R285-E289 WeakPolarHBondContact O-CG 3.41Å; R285-E289 PolarHBondContact O-N 2.77Å |
| 290 | N | 38.8 | Very low | 39.7 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 56% | 0.556 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 6.8 | -162.7 | -80.3 | -47 | 0 | 0 | 0 | 116.5 | E286 C288 | E286-N290 PolarHBondContact O-ND2 3.49Å; C288-N290 PolarHBondContact O-N 3.11Å |
| 291 | N | 37.2 | Very low | 39.1 | Very low | 146 Ų | 146 | 112.6 Ų | 112.6 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | trans | -103.7 | 9.8 | -169.3 | -138.2 | 102.2 | 0 | 0 | 0 | 116.5 | ||||
| 292 | W | 35.4 | Very low | 38.7 | Very low | 227 Ų | 227 | 110.3 Ų | 110.3 | 86% | 0.86 | 62% | 0.621 | S | S | * | * | trans | -98 | 90.3 | 165.7 | -68.6 | 96.2 | 0 | 0 | 0 | 109.4 | ||||
| 293 | S | 34.2 | Very low | 38.6 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | trans | -75.9 | 125.2 | 166.3 | 72.3 | 0 | 0 | 0 | 0 | 109.4 | D295 | S293-D295 WeakPolarHBondContact CB-OD2 3.33Å; S293-D295 PolarHBondContact O-N 2.86Å; S293-D295 PolarHBondContact OG-OD2 3.19Å | ||
| 294 | S | 35.8 | Very low | 38.5 | Very low | 106 Ų | 106 | 117.1 Ų | 117.1 | 74% | 0.741 | 65% | 0.645 | S | S | * | * | trans | -79.8 | 42.3 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | D296 | S294-D296 VanDerWaalsContact C-N 3.31Å; S294-D296 PolarHBondContact O-N 3.14Å | ||
| 295 | D | 38.2 | Very low | 38.8 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | trans | -82.9 | -4.8 | -173.1 | -66.1 | -43.3 | 0 | 0 | 0 | 113.5 | S293 | S293-D295 WeakPolarHBondContact CB-OD2 3.33Å; S293-D295 PolarHBondContact O-N 2.86Å; S293-D295 PolarHBondContact OG-OD2 3.19Å | ||
| 296 | D | 32.7 | Very low | 39.2 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | trans | -115.9 | 47.4 | 177.2 | -150.7 | -7.6 | 0 | 0 | 0 | 112.4 | S294 T298 | S294-D296 VanDerWaalsContact C-N 3.31Å; S294-D296 PolarHBondContact O-N 3.14Å; D296-T298 PolarHBondContact O-N 3.14Å | ||
| 297 | A | 38.9 | Very low | 40.1 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 72% | 0.719 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 35.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 298 | T | 36.1 | Very low | 40.9 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 77% | 0.767 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 1.5 | -171.8 | -18.1 | 0 | 0 | 0 | 0 | 114 | D296 | D296-T298 PolarHBondContact O-N 3.14Š|
| 299 | S | 30.4 | Very low | 42.2 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 53% | 0.531 | 65% | 0.652 | S | S | . | * | trans | -119.8 | 112.2 | 179.8 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | V301 | S299-V301 PolarHBondContact O-N 3.21Š| ||
| 300 | P | 32.4 | Very low | 43.6 | Very low | 106 Ų | 106 | 114.9 Ų | 114.9 | 69% | 0.688 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -80.7 | 42.7 | -179.2 | 34.8 | -36.5 | 0 | 0 | 0 | 112.9 | ||
| 301 | V | 33.1 | Very low | 45 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | trans | -144.8 | 73.7 | 176.4 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | S299 Y303 | S299-V301 PolarHBondContact O-N 3.21Å; V301-Y303 HydrophobicContact CG1-CD2 4.27Å; V301-Y303 HydrophobicContact CG1-CE2 3.92Å | ||
| 302 | S | 35.3 | Very low | 46.7 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | trans | -97.5 | 125.4 | 173.5 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | T304 | S302-T304 PolarHBondContact O-N 2.97Š| ||
| 303 | Y | 35.4 | Very low | 48.8 | Very low | 221 Ų | 221 | 106 Ų | 106 | 87% | 0.867 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -79.1 | 29.9 | -161.8 | -99.3 | -97.2 | 0 | 0 | 0 | 115.9 | V301 | V301-Y303 HydrophobicContact CG1-CD2 4.27Å; V301-Y303 HydrophobicContact CG1-CE2 3.92Å |
| 304 | T | 42.4 | Very low | 50.6 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 56% | 0.564 | 60% | 0.604 | S | S | * | * | trans | -117.9 | 100.4 | 179.7 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | S302 Y306 | S302-T304 PolarHBondContact O-N 2.97Å; T304-Y306 VanDerWaalsContact C-N 3.31Å; T304-Y306 WeakPolarHBondContact O-CD1 3.47Å; T304-Y306 PolarHBondContact O-N 3.18Å | ||
| 305 | H | 48.4 | Very low | 52.5 | Low | 169 Ų | 169 | 106 Ų | 106 | 78% | 0.782 | 59% | 0.588 | S | S | * | * | trans | -79.3 | 79.2 | 174.2 | -153.6 | -83.7 | 0 | 0 | 0 | 109.4 | ||||
| 306 | Y | 58.3 | Low | 54.1 | Low | 152 Ų | 152 | 101.5 Ų | 101.5 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | trans | -95.5 | 128.6 | 175 | 65.8 | -91.4 | 0 | 0 | 0 | 110.4 | T304 | T304-Y306 VanDerWaalsContact C-N 3.31Å; T304-Y306 WeakPolarHBondContact O-CD1 3.47Å; T304-Y306 PolarHBondContact O-N 3.18Å | ||
| 307 | E | 61.9 | Low | 55.9 | Low | 106 Ų | 106 | 96.8 Ų | 96.8 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | trans | -92.1 | 130.6 | 176.1 | -73 | 178.8 | -161.3 | 0 | 0 | 109.8 | V316 | E307-V316 HydrophobicContact CB-CG1 3.88Å; E307-V316 HydrophobicContact CG-CG1 3.86Å | ||
| 308 | T | 65.8 | Low | 57.2 | Low | 61 Ų | 61 | 99.6 Ų | 99.6 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.8 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 108.8 | I317 | T308-I317 HydrophobicContact CG2-CB 4.47Å; T308-I317 HydrophobicContact CG2-CD1 4.47Å; T308-I317 WeakPolarHBondContact O-CA 3.21Å; T308-I317 WeakPolarHBondContact O-CB 3.42Å; T308-I317 WeakPolarHBondContact O-CG1 3.5Å; T308-I317 PolarHBondContact O-N 3.1Å |
| 309 | V | 70.5 | Confident | 58.2 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 39% | 0.394 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.6 | -178.2 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | D314 V316 | V309-D314 HydrophobicContact CG1-CB 4.37Å; V309-V316 HydrophobicContact CG2-CG2 4.48Å |
| 310 | C | 73.8 | Confident | 59.4 | Low | 16 Ų | 16 | 97.8 Ų | 97.8 | 11% | 0.108 | 52% | 0.523 | C | S | . | . | trans | -81 | 120.8 | 169.3 | 163.1 | 0 | 0 | 0 | 0 | 110.7 | V312 C313 D314 S315 I317 C327 C329 | C310-V312 PolarHBondContact O-N 3.3Å; C310-C313 WeakPolarHBondContact CB-SG 3.26Å; C310-C313 PolarHBondContact O-N 2.63Å; C310-C313 VanDerWaalsContact SG-SG 3.65Å; C310-D314 PolarHBondContact O-N 3.03Å; C310-S315 PolarHBondContact N-O 3.45Å; C310-I317 HydrophobicContact CB-CD1 4.03Å; C310-C327 HydrophobicContact CB-CB 3.53Å; C310-C329 WeakPolarHBondContact CB-SG 3.12Å; C310-C329 WeakPolarHBondContact SG-CB 3.45Å; C310-C329 CovalentContact SG-SG 2.08Å; C310-C329 PolarHBondContact SG-SG 3.05Å | ||
| 311 | E | 68.1 | Low | 60.4 | Low | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 17.8 | 179.7 | -47.1 | 178.6 | 142.2 | 0 | 0 | 115.9 | K209 | K209-E311 WeakPolarHBondContact CD-OE1 3.27Å; K209-E311 WeakPolarHBondContact CE-OE1 3.33Å; K209-E311 IonicContact NZ-OE1 2.63Å; K209-E311 PolarHBondContact NZ-OE1 2.75Å; K209-E311 IonicContact NZ-OE2 2.65Å; K209-E311 PolarHBondContact NZ-OE2 2.8Å |
| 312 | V | 73.3 | Confident | 61.4 | Low | 117 Ų | 117 | 104 Ų | 104 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.7 | -18.8 | -175.1 | -173.8 | 0 | 0 | 0 | 0 | 112 | C310 C329 | C310-V312 PolarHBondContact O-N 3.3Å; V312-C329 HydrophobicContact CB-CB 3.97Å; V312-C329 HydrophobicContact CG1-CB 4.22Å |
| 313 | C | 79.7 | Confident | 61.9 | Low | 41 Ų | 41 | 102.8 Ų | 102.8 | 28% | 0.277 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | -1.1 | -176.6 | 69 | 0 | 0 | 0 | 0 | 113.9 | C310 S315 C327 C329 | C310-C313 WeakPolarHBondContact CB-SG 3.26Å; C310-C313 PolarHBondContact O-N 2.63Å; C310-C313 VanDerWaalsContact SG-SG 3.65Å; C313-S315 PolarHBondContact O-N 2.08Å; C313-S315 PolarHBondContact O-OG 2.93Å; C313-S315 VanDerWaalsContact SG-CB 3.52Å; C313-S315 PolarHBondContact SG-OG 2.65Å; C313-C327 WeakPolarHBondContact CB-SG 3.2Å; C313-C327 WeakPolarHBondContact SG-CB 3.08Å; C313-C327 CovalentContact SG-SG 2.06Å; C313-C327 PolarHBondContact SG-SG 3.43Å; C313-C329 HydrophobicContact CB-CB 3.91Å |
| 314 | D | 72.1 | Confident | 62.8 | Low | 134 Ų | 134 | 99.6 Ų | 99.6 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | trans | 43.6 | 21.7 | -174 | -55.7 | -33.3 | 0 | 0 | 0 | 115.6 | V309 C310 | V309-D314 HydrophobicContact CG1-CB 4.37Å; C310-D314 PolarHBondContact O-N 3.03Å | ||
| 315 | S | 75.8 | Confident | 63.5 | Low | 58 Ų | 58 | 97.2 Ų | 97.2 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | trans | -89.6 | 129.2 | -177.8 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | C310 C313 I317 | C310-S315 PolarHBondContact N-O 3.45Å; C313-S315 PolarHBondContact O-N 2.08Å; C313-S315 PolarHBondContact O-OG 2.93Å; C313-S315 VanDerWaalsContact SG-CB 3.52Å; C313-S315 PolarHBondContact SG-OG 2.65Å; S315-I317 PolarHBondContact O-N 3.33Å | ||
| 316 | V | 71.9 | Confident | 64.3 | Low | 45 Ų | 45 | 95.5 Ų | 95.5 | 27% | 0.273 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 123.3 | 174.2 | -179.4 | 0 | 0 | 0 | 0 | 110 | E307 V309 Y318 | E307-V316 HydrophobicContact CB-CG1 3.88Å; E307-V316 HydrophobicContact CG-CG1 3.86Å; V309-V316 HydrophobicContact CG2-CG2 4.48Å; V316-Y318 HydrophobicContact CB-CE2 3.94Å; V316-Y318 HydrophobicContact CG1-CD1 4.22Å; V316-Y318 HydrophobicContact CG1-CD2 4.12Å; V316-Y318 HydrophobicContact CG1-CE1 3.79Å; V316-Y318 HydrophobicContact CG1-CE2 3.67Å; V316-Y318 HydrophobicContact CG1-CG 4.37Å; V316-Y318 VanDerWaalsContact CG1-CZ 3.49Å |
| 317 | I | 71.1 | Confident | 64.8 | Low | 30 Ų | 30 | 89.3 Ų | 89.3 | 15% | 0.154 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 106.4 | 173.9 | -55 | 172.1 | 0 | 0 | 0 | 107.2 | T308 C310 S315 P319 A325 C327 | T308-I317 HydrophobicContact CG2-CB 4.47Å; T308-I317 HydrophobicContact CG2-CD1 4.47Å; T308-I317 WeakPolarHBondContact O-CA 3.21Å; T308-I317 WeakPolarHBondContact O-CB 3.42Å; T308-I317 WeakPolarHBondContact O-CG1 3.5Å; T308-I317 PolarHBondContact O-N 3.1Å; C310-I317 HydrophobicContact CB-CD1 4.03Å; S315-I317 PolarHBondContact O-N 3.33Å; I317-P319 WeakPolarHBondContact O-CD 3.16Å; I317-A325 HydrophobicContact CG2-CB 3.64Å; I317-A325 VanDerWaalsContact CG2-O 3.26Å; I317-A325 WeakPolarHBondContact CG2-O 3.42Å; I317-C327 HydrophobicContact CD1-CB 4.07Å; I317-C327 HydrophobicContact CG1-CB 4.12Å |
| 318 | Y | 65 | Low | 65.3 | Low | 147 Ų | 147 | 92.4 Ų | 92.4 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | trans | -82 | 118.5 | 173.4 | -60.7 | -84.9 | 0 | 0 | 0 | 109.5 | V316 S320 A325 | V316-Y318 HydrophobicContact CB-CE2 3.94Å; V316-Y318 HydrophobicContact CG1-CD1 4.22Å; V316-Y318 HydrophobicContact CG1-CD2 4.12Å; V316-Y318 HydrophobicContact CG1-CE1 3.79Å; V316-Y318 HydrophobicContact CG1-CE2 3.67Å; V316-Y318 HydrophobicContact CG1-CG 4.37Å; V316-Y318 VanDerWaalsContact CG1-CZ 3.49Å; Y318-S320 PolarHBondContact O-N 3.27Å; Y318-A325 WeakPolarHBondContact O-CB 3.26Å | ||
| 319 | P | 58.3 | Low | 65.4 | Low | 93 Ų | 93 | 91.5 Ų | 91.5 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | trans | -65 | 128 | 174.3 | 27.2 | -33 | 0 | 0 | 0 | 109.7 | I317 | I317-P319 WeakPolarHBondContact O-CD 3.16Š| ||
| 320 | S | 54.4 | Low | 64.7 | Low | 69 Ų | 69 | 95.6 Ų | 95.6 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | B | Isolated β-bridge | trans | -118 | 135.4 | -179 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | Y318 I322 S323 | Y318-S320 PolarHBondContact O-N 3.27Å; S320-I322 PolarHBondContact O-N 3.5Å; S320-S323 PolarHBondContact O-N 2.82Å |
| 321 | E | 54.8 | Low | 63.5 | Low | 174 Ų | 174 | 97.8 Ų | 97.8 | 81% | 0.813 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -9.3 | -172.9 | -59.4 | -170.4 | 143.4 | 0 | 0 | 114.5 | ||
| 322 | I | 52.8 | Low | 61.8 | Low | 159 Ų | 159 | 100.5 Ų | 100.5 | 82% | 0.815 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | -9.4 | -166.7 | -53.2 | -179.3 | 0 | 0 | 0 | 112.4 | S320 | S320-I322 PolarHBondContact O-N 3.5Š|
| 323 | S | 46.6 | Very low | 59.9 | Low | 79 Ų | 79 | 100.2 Ų | 100.2 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | B | Isolated β-bridge | trans | -155.5 | 150.3 | 179.7 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | S320 A325 | S320-S323 PolarHBondContact O-N 2.82Å; S323-A325 VanDerWaalsContact C-N 3.35Å; S323-A325 PolarHBondContact O-N 2.95Å |
| 324 | D | 53.6 | Low | 57.5 | Low | 153 Ų | 153 | 103 Ų | 103 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | trans | -63.9 | 89.9 | 171.7 | -73.2 | -49.6 | 0 | 0 | 0 | 110.7 | H326 | D324-H326 PolarHBondContact O-N 2.9Å; D324-H326 PolarHBondContact O-ND1 3.44Å | ||
| 325 | A | 57.4 | Low | 55.7 | Low | 43 Ų | 43 | 104 Ų | 104 | 36% | 0.355 | 58% | 0.582 | S | S | . | * | trans | -66.1 | 118.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I317 Y318 S323 | I317-A325 HydrophobicContact CG2-CB 3.64Å; I317-A325 VanDerWaalsContact CG2-O 3.26Å; I317-A325 WeakPolarHBondContact CG2-O 3.42Å; Y318-A325 WeakPolarHBondContact O-CB 3.26Å; S323-A325 VanDerWaalsContact C-N 3.35Å; S323-A325 PolarHBondContact O-N 2.95Å | ||
| 326 | H | 64.1 | Low | 53.5 | Low | 132 Ų | 132 | 107.8 Ų | 107.8 | 61% | 0.611 | 60% | 0.603 | S | S | * | * | trans | -143.8 | 137.6 | 178 | 60.9 | -78.7 | 0 | 0 | 0 | 109.5 | D324 Q328 | D324-H326 PolarHBondContact O-N 2.9Å; D324-H326 PolarHBondContact O-ND1 3.44Å; H326-Q328 PolarHBondContact O-N 3.01Å | ||
| 327 | C | 70.7 | Confident | 51.6 | Low | 22 Ų | 22 | 110 Ų | 110 | 15% | 0.149 | 62% | 0.62 | C | S | . | * | trans | -65.1 | 139.4 | 168 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | C310 C313 I317 C329 | C310-C327 HydrophobicContact CB-CB 3.53Å; C313-C327 WeakPolarHBondContact CB-SG 3.2Å; C313-C327 WeakPolarHBondContact SG-CB 3.08Å; C313-C327 CovalentContact SG-SG 2.06Å; C313-C327 PolarHBondContact SG-SG 3.43Å; I317-C327 HydrophobicContact CD1-CB 4.07Å; I317-C327 HydrophobicContact CG1-CB 4.12Å; C327-C329 HydrophobicContact CB-CB 4.3Å; C327-C329 VanDerWaalsContact CB-SG 3.5Å; C327-C329 PolarHBondContact O-N 3.45Å; C327-C329 PolarHBondContact O-SG 3.09Å; C327-C329 VanDerWaalsContact SG-SG 3.67Å | ||
| 328 | Q | 70.6 | Confident | 49.6 | Very low | 172 Ų | 172 | 116.3 Ų | 116.3 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -69.2 | 2.7 | 179.5 | -60.3 | -176.3 | 7.2 | 0 | 0 | 112.9 | H326 N330 G331 | H326-Q328 PolarHBondContact O-N 3.01Å; Q328-N330 PolarHBondContact O-N 2.97Å; Q328-N330 VanDerWaalsContact O-N 3.09Å; Q328-G331 PolarHBondContact O-N 2.06Å |
| 329 | C | 67.7 | Low | 48.1 | Very low | 42 Ų | 42 | 115.7 Ų | 115.7 | 28% | 0.284 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -46.5 | -32.5 | 168.8 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | C310 V312 C313 C327 G331 | C310-C329 WeakPolarHBondContact CB-SG 3.12Å; C310-C329 WeakPolarHBondContact SG-CB 3.45Å; C310-C329 CovalentContact SG-SG 2.08Å; C310-C329 PolarHBondContact SG-SG 3.05Å; V312-C329 HydrophobicContact CB-CB 3.97Å; V312-C329 HydrophobicContact CG1-CB 4.22Å; C313-C329 HydrophobicContact CB-CB 3.91Å; C327-C329 HydrophobicContact CB-CB 4.3Å; C327-C329 VanDerWaalsContact CB-SG 3.5Å; C327-C329 PolarHBondContact O-N 3.45Å; C327-C329 PolarHBondContact O-SG 3.09Å; C327-C329 VanDerWaalsContact SG-SG 3.67Å; C329-G331 VanDerWaalsContact C-N 3.34Å; C329-G331 PolarHBondContact O-N 3.46Å |
| 330 | N | 57.1 | Low | 46.8 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -86.2 | 3.3 | -178 | -145.4 | 11.9 | 0 | 0 | 0 | 114.5 | Q328 | Q328-N330 PolarHBondContact O-N 2.97Å; Q328-N330 VanDerWaalsContact O-N 3.09Å |
| 331 | G | 47.5 | Very low | 45.6 | Very low | 62 Ų | 62 | 119.9 Ų | 119.9 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -83.3 | -10.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q328 C329 | Q328-G331 PolarHBondContact O-N 2.06Å; C329-G331 VanDerWaalsContact C-N 3.34Å; C329-G331 PolarHBondContact O-N 3.46Å |
| 332 | K | 33.9 | Very low | 44.5 | Very low | 187 Ų | 187 | 115 Ų | 115 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -142.9 | 120.7 | 179.5 | -68 | 179.4 | -177.7 | 173.2 | 0 | 110.6 | ||
| 333 | P | 33 | Very low | 43.6 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | trans | -64.3 | 141.2 | 163.8 | 29.5 | -33.5 | 0 | 0 | 0 | 108.9 | Q335 | P333-Q335 VanDerWaalsContact C-N 3.31Å; P333-Q335 PolarHBondContact O-N 2.96Å | ||
| 334 | A | 29.9 | Very low | 43.1 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -67.9 | 85.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T336 | A334-T336 PolarHBondContact O-N 2.99Å; A334-T336 VanDerWaalsContact O-N 3.11Å | ||
| 335 | Q | 33 | Very low | 42.2 | Very low | 155 Ų | 155 | 116 Ų | 116 | 72% | 0.724 | 70% | 0.698 | S | S | * | * | trans | -72.9 | 99.3 | 168.6 | -72 | -170.4 | -7.1 | 0 | 0 | 109.1 | P333 S337 | P333-Q335 VanDerWaalsContact C-N 3.31Å; P333-Q335 PolarHBondContact O-N 2.96Å; Q335-S337 PolarHBondContact O-N 2.8Å | ||
| 336 | T | 30.2 | Very low | 41 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | -71.4 | 59.9 | 162.3 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | A334 I338 | A334-T336 PolarHBondContact O-N 2.99Å; A334-T336 VanDerWaalsContact O-N 3.11Å; T336-I338 PolarHBondContact O-N 3.11Å | ||
| 337 | S | 31.4 | Very low | 39.5 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -86.1 | 98.6 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | Q335 T339 | Q335-S337 PolarHBondContact O-N 2.8Å; S337-T339 PolarHBondContact O-N 2.84Å | ||
| 338 | I | 30.5 | Very low | 37.7 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -68.4 | 109.1 | 171.9 | -56.2 | 165.3 | 0 | 0 | 0 | 108.8 | T336 | T336-I338 PolarHBondContact O-N 3.11Š| ||
| 339 | T | 33 | Very low | 36.1 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -179.4 | 143.9 | 138.2 | 31.6 | 0 | 0 | 0 | 0 | 113.1 | S337 | S337-T339 PolarHBondContact O-N 2.84Š| ||
| 340 | N | 30.6 | Very low | 34.3 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 148.4 | -177.6 | -50.6 | -36.2 | 0 | 0 | 0 | 117 | ||||
| 341 | G | 30 | Very low | 32.9 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | 110.6 | 136.2 | 133.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 342 | G | 30.6 | Very low | 32.1 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 128.8 | 84 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 343 | D | 33.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | 42.6 | 118.7 | 140.6 | -55.8 | -38.5 | 0 | 0 | 0 | 124.9 | ||||
| 344 | V | 37.2 | Very low | 32 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | 53.2 | 106.5 | 119.2 | -175.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 345 | D | 33.5 | Very low | 32.1 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | 172.2 | 121.2 | 109.3 | -101.3 | -29.4 | 0 | 0 | 0 | 109.2 | |||||
| 346 | V | 33.1 | Very low | 31.8 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 68.8 | 93.7 | 74.4 | -177.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 347 | A | 32.7 | Very low | 31.9 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -168.2 | 141.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 348 | T | 31.9 | Very low | 31.7 | Very low | 139 Ų | 139 | 139 Ų | 139 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -164.1 | -179.9 | 173.2 | 3.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 349 | P | 37.6 | Very low | 31.9 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | cis | -133.4 | -154.2 | -16.8 | 26.1 | 0.4 | 0 | 0 | 0 | 112 | ||||
| 350 | L | 29.1 | Very low | 31.6 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 74.3 | 159.6 | 159.7 | -56.4 | 168 | 0 | 0 | 0 | 116.3 | ||||
| 351 | A | 28.7 | Very low | 31.7 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | cis | -176.8 | 167.4 | -19 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 352 | A | 30.8 | Very low | 31.7 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | cis | -173.2 | -158.6 | -25.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 353 | E | 35.5 | Very low | 31.3 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | 87.4 | 147.7 | 163 | -52.5 | -162 | 122.1 | 0 | 0 | 120.8 | ||||
| 354 | D | 28.2 | Very low | 31.2 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -96.7 | 169.6 | -165.2 | -51.9 | -98 | 0 | 0 | 0 | 115.3 | ||||
| 355 | M | 33.1 | Very low | 30.6 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | trans | -156.1 | 115.5 | 149.8 | -172 | 124.1 | 56 | 0 | 0 | 113.2 | ||||
| 356 | E | 26.6 | Very low | 30.5 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -69.5 | 150.4 | 167.6 | -71.5 | -178 | 72 | 0 | 0 | 113.1 | ||||
| 357 | R | 31.3 | Very low | 30.3 | Very low | 243 Ų | 243 | 134.5 Ų | 134.5 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -169.4 | 119.2 | 134.2 | -109.8 | 169 | -163.1 | 171.6 | 8.5 | 115.5 | ||||
| 358 | T | 27.4 | Very low | 30.1 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -92.8 | -172.4 | 152 | 22.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 359 | P | 35.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 135 Ų | 135 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | cis | -136.5 | -168.3 | -5.1 | 24.1 | 2.3 | 0 | 0 | 0 | 115.2 | ||||
| 360 | T | 27.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | 82 | 127.3 | 150.9 | 63.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 361 | G | 31.2 | Very low | 29.3 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | 140.7 | 117.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 362 | G | 30.7 | Very low | 29.3 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | 102.3 | 109.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 363 | C | 22.5 | Very low | 29.1 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 75% | 0.75 | 84% | 0.835 | S | S | * | * | trans | -105.6 | 132.9 | 165.8 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 364 | L | 30.7 | Very low | 28.8 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -136.9 | 128.5 | 163 | -76.9 | 178.8 | 0 | 0 | 0 | 110 | ||||
| 365 | V | 25.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | trans | -90.4 | 135.7 | 178 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 366 | S | 30.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -127.6 | 143.4 | 169.9 | -77.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 367 | S | 29.1 | Very low | 28.6 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 135.9 | -161.3 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 368 | L | 29 | Very low | 28.2 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 128.2 | 167 | -80.6 | 160 | 0 | 0 | 0 | 111.6 | ||
| 369 | G | 28 | Very low | 28.4 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 129 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 370 | T | 26.2 | Very low | 28 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 125.9 | 176.7 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 371 | F | 27.2 | Very low | 28.3 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 130.8 | 167.2 | -94.6 | -86.2 | 0 | 0 | 0 | 111.4 | ||
| 372 | P | 28.8 | Very low | 28.1 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 131.8 | 179.8 | 32.1 | -33.4 | 0 | 0 | 0 | 112.3 | T374 | P372-T374 PolarHBondContact O-N 3.4Š|
| 373 | Q | 27.7 | Very low | 28.2 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 126.2 | 167.9 | -76.7 | -165.8 | 2.4 | 0 | 0 | 111.5 | ||
| 374 | T | 27.7 | Very low | 28.7 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 123.4 | 166.2 | 36.8 | 0 | 0 | 0 | 0 | 110.6 | P372 I376 | P372-T374 PolarHBondContact O-N 3.4Å; T374-I376 PolarHBondContact O-N 3.22Å |
| 375 | K | 24.8 | Very low | 28.7 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125.8 | 171 | -79 | -179.2 | 173.3 | 177.8 | 0 | 110.5 | ||
| 376 | I | 31.4 | Very low | 29.3 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -104 | 132.6 | 159.4 | -61 | 179.6 | 0 | 0 | 0 | 107.4 | T374 | T374-I376 PolarHBondContact O-N 3.22Š| ||
| 377 | S | 28.8 | Very low | 29.4 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 136.4 | -174.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 378 | S | 23.3 | Very low | 29.6 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 136.6 | 171 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 379 | P | 29.9 | Very low | 29.9 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 156.7 | 156.6 | 32.2 | -31.2 | 0 | 0 | 0 | 110 | ||
| 380 | V | 28.3 | Very low | 30.1 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 135.3 | 175.6 | 170 | 0 | 0 | 0 | 0 | 109.3 | ||
| 381 | E | 32.8 | Very low | 30.4 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -148.9 | 160.3 | 156.7 | -129.6 | 169.7 | -175.2 | 0 | 0 | 111 | ||||
| 382 | T | 28.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -136.2 | 107.3 | -151.3 | -47.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 383 | A | 32.6 | Very low | 30.9 | Very low | 86 Ų | 86 | 151.9 Ų | 151.9 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | -178.1 | 149.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 384 | D | 32.9 | Very low | 31.2 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | cis | -153.2 | 177.4 | -16.2 | -120 | -44.4 | 0 | 0 | 0 | 109.3 | ||||
| 385 | Q | 30.5 | Very low | 31.6 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -85.9 | -164.8 | -179.5 | -59.2 | -176.2 | 6 | 0 | 0 | 113.2 | ||||
| 386 | I | 38.4 | Very low | 32.3 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | 85.5 | 126 | 170.7 | -52.8 | 159.5 | 0 | 0 | 0 | 113.4 | ||||
| 387 | D | 32.2 | Very low | 32.5 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | cis | -143.1 | 166.5 | -2.1 | -143 | -26 | 0 | 0 | 0 | 112.7 | ||||
| 388 | S | 33.2 | Very low | 33 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -122.9 | 112.8 | 171.8 | -70 | 0 | 0 | 0 | 0 | 110.9 | P390 | S388-P390 WeakPolarHBondContact O-CD 3.13Š| ||
| 389 | I | 34.7 | Very low | 33.8 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 120 | -179.4 | -58.1 | 176.1 | 0 | 0 | 0 | 110.2 | ||
| 390 | P | 32.5 | Very low | 34.3 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 142.1 | 178 | 33.5 | -33.4 | 0 | 0 | 0 | 112.2 | S388 | S388-P390 WeakPolarHBondContact O-CD 3.13Š|
| 391 | Q | 33.6 | Very low | 35 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 154.1 | 165 | -71.6 | -177.5 | -64.9 | 0 | 0 | 111.1 | ||
| 392 | K | 33.3 | Very low | 35.3 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -132.5 | 95 | -170.8 | -175.9 | -174.4 | 179.1 | -178.4 | 0 | 111.5 | ||||
| 393 | E | 32.6 | Very low | 35.9 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -119.5 | 133.1 | 166.3 | -67.7 | -164.9 | 126.3 | 0 | 0 | 109.9 | ||||
| 394 | A | 34.3 | Very low | 36.2 | Very low | 90 Ų | 90 | 144.5 Ų | 144.5 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -163.2 | 146.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 395 | V | 36.3 | Very low | 36.6 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 113.2 | 156.7 | -148 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 396 | K | 38 | Very low | 37 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 144.8 | 135.4 | 133 | -77.9 | 172.5 | -175.7 | 176 | 0 | 109.8 | ||||
| 397 | N | 36.3 | Very low | 37 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -160 | 151.7 | -4 | -103.6 | -10.8 | 0 | 0 | 0 | 110.6 | ||||
| 398 | A | 39.2 | Very low | 37.2 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | 35.1 | 153.3 | 131.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 399 | Q | 40.4 | Very low | 37.3 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | cis | -170.8 | 153.6 | 6 | -134 | 167.5 | -98.3 | 0 | 0 | 113 | ||||
| 400 | A | 39.8 | Very low | 37.7 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | 60.1 | 156.9 | 144.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 401 | D | 42.3 | Very low | 38 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | cis | -152.9 | -178.2 | -6 | -138.3 | -47.2 | 0 | 0 | 0 | 113.5 | ||||
| 402 | S | 39.5 | Very low | 38.4 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -82.5 | 173.3 | -171.9 | -149.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 403 | T | 41.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | 178.8 | 116.5 | 85.2 | -67.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 404 | K | 39.1 | Very low | 39 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | 58.3 | 168.4 | 148.8 | -53.5 | 169.3 | -170.9 | 166.3 | 0 | 118.5 | ||||
| 405 | Q | 40.5 | Very low | 39.5 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -158.6 | 160.2 | 9.6 | -151.5 | 163.8 | -9.6 | 0 | 0 | 113.6 | ||||
| 406 | A | 39.5 | Very low | 40.1 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 70.7 | 166.7 | 159 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 407 | A | 38.6 | Very low | 40.3 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -159.5 | 158 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 408 | C | 36.1 | Very low | 40.8 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | trans | -167.7 | 154.8 | 141.6 | -150.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 409 | S | 35.8 | Very low | 41.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -57.3 | 173.7 | -169.2 | -59.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 410 | P | 43.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -116.9 | 174.4 | -162.5 | 43.3 | -34.2 | 0 | 0 | 0 | 116.3 | ||||
| 411 | K | 38.9 | Very low | 41.6 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | 178.9 | 143.8 | 139.1 | -106.6 | 172.1 | -176.9 | -178.7 | 0 | 115.5 | ||||
| 412 | H | 40.5 | Very low | 41.8 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | 60.1 | 162.2 | 164.4 | -76.1 | -110.4 | 0 | 0 | 0 | 118.2 | ||||
| 413 | A | 39.8 | Very low | 42.4 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 62% | 0.62 | 78% | 0.784 | S | S | * | * | cis | -169.1 | 154.7 | -35.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 414 | S | 39.2 | Very low | 43 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 64.3 | 107.6 | 151.8 | -58.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 415 | M | 44.5 | Very low | 43.2 | Very low | 181 Ų | 181 | 137 Ų | 137 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | trans | 80.7 | 153.8 | 131.9 | -66.6 | -160.8 | 76 | 0 | 0 | 122.8 | ||||
| 416 | P | 48.7 | Very low | 43.4 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 68% | 0.675 | 82% | 0.821 | S | S | * | * | trans | -130 | 158 | -160.4 | 41.7 | -24.7 | 0 | 0 | 0 | 116.3 | ||||
| 417 | W | 43.1 | Very low | 43.6 | Very low | 223 Ų | 223 | 136.8 Ų | 136.8 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -163.7 | 136.9 | 159.5 | 38.2 | -75.5 | 0 | 0 | 0 | 112.2 | ||||
| 418 | E | 46.1 | Very low | 43.9 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 71% | 0.71 | 82% | 0.818 | S | S | * | * | trans | 52 | 152.4 | 139 | -59.6 | -166.6 | 117.5 | 0 | 0 | 121.5 | ||||
| 419 | N | 47.3 | Very low | 44.4 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | cis | -163.7 | 153.5 | -15 | -101.3 | -17 | 0 | 0 | 0 | 109.3 | ||||
| 420 | G | 45.1 | Very low | 44.9 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 70.8 | 176.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 421 | D | 43.2 | Very low | 45.1 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | cis | -159 | 154.8 | -14 | -153.6 | -10.2 | 0 | 0 | 0 | 110.9 | ||||
| 422 | G | 47.8 | Very low | 45.5 | Very low | 57 Ų | 57 | 138.8 Ų | 138.8 | 59% | 0.588 | 82% | 0.817 | S | S | * | * | trans | 70.5 | 163.4 | 174 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 423 | T | 52.4 | Low | 46 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | cis | -160.5 | 154 | -6.7 | 6.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 424 | S | 54.4 | Low | 46.5 | Very low | 199 Ų | 199 | 140.9 Ų | 140.9 | 100% | 1.392 | 83% | 0.833 | S | S | * | * | trans | 73.7 | 0 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 116.7 |
Retrieved 424 of 424 residues in 592.3 ms
(Link to these results)