| 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 | 34.5 | Very low | 51.4 | Low | 205 Ų | 205 | 108.2 Ų | 108.2 | 100% | 1.01 | 58% | 0.581 | S | S | * | * | 0 | -26.3 | 0 | -67.5 | -170.9 | 82.7 | 0 | 0 | 112.4 | T3 | M1-T3 PolarHBondContact O-N 2.87Š| |||
| 2 | S | 32.6 | Very low | 54.2 | Low | 99 Ų | 99 | 101 Ų | 101 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.9 | -21.1 | -176.8 | -41.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 3 | T | 32.3 | Very low | 56.7 | Low | 110 Ų | 110 | 93.3 Ų | 93.3 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -82.3 | -25.9 | -179.8 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | M1 S6 L7 | M1-T3 PolarHBondContact O-N 2.87Å; T3-S6 PolarHBondContact O-OG 3.5Å; T3-L7 VanDerWaalsContact O-CD1 3.3Å; T3-L7 WeakPolarHBondContact O-CD1 3.22Å; T3-L7 PolarHBondContact O-N 3.11Å |
| 4 | S | 33.1 | Very low | 59 | Low | 73 Ų | 73 | 95.1 Ų | 95.1 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76.1 | -42 | 177.3 | -159.1 | 0 | 0 | 0 | 0 | 111 | S6 L7 D8 | S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.35Å; S4-L7 PolarHBondContact O-N 2.85Å; S4-D8 PolarHBondContact O-N 3.06Å |
| 5 | E | 50 | Low | 61 | Low | 115 Ų | 115 | 89.5 Ų | 89.5 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.5 | -28.3 | 177.3 | -72.9 | -178.9 | 171.3 | 0 | 0 | 113.2 | R9 | E5-R9 WeakPolarHBondContact O-CD 3.26Å; E5-R9 VanDerWaalsContact O-CG 3.22Å; E5-R9 WeakPolarHBondContact O-CG 3.32Å; E5-R9 PolarHBondContact O-N 3.44Å |
| 6 | S | 49 | Very low | 62.8 | Low | 61 Ų | 61 | 83.9 Ų | 83.9 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.2 | -32.3 | 176.3 | 63 | 0 | 0 | 0 | 0 | 112.8 | T3 S4 M10 | T3-S6 PolarHBondContact O-OG 3.5Å; S4-S6 VanDerWaalsContact C-N 3.28Å; S4-S6 PolarHBondContact O-N 3.35Å; S6-M10 PolarHBondContact O-N 3.33Å |
| 7 | L | 46.7 | Very low | 64.4 | Low | 123 Ų | 123 | 79.9 Ų | 79.9 | 64% | 0.644 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.7 | -45.2 | 177.8 | -101.6 | 126.7 | 0 | 0 | 0 | 111 | T3 S4 R9 M10 E11 | T3-L7 VanDerWaalsContact O-CD1 3.3Å; T3-L7 WeakPolarHBondContact O-CD1 3.22Å; T3-L7 PolarHBondContact O-N 3.11Å; S4-L7 PolarHBondContact O-N 2.85Å; L7-R9 PolarHBondContact O-N 3.07Å; L7-M10 PolarHBondContact O-N 3.35Å; L7-M10 VanDerWaalsContact O-N 3.16Å; L7-E11 PolarHBondContact O-N 2.95Å |
| 8 | D | 63.4 | Low | 65.8 | Low | 101 Ų | 101 | 78.8 Ų | 78.8 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.6 | -32.8 | 176.9 | -67.3 | -12 | 0 | 0 | 0 | 112.3 | S4 L12 | S4-D8 PolarHBondContact O-N 3.06Å; D8-L12 PolarHBondContact O-N 3.39Å; D8-L12 VanDerWaalsContact O-N 3.12Å |
| 9 | R | 68.9 | Low | 67.1 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -77.8 | -24.9 | 179 | -71.7 | 176.7 | -175 | 178.4 | 8.2 | 113.9 | E5 L7 C13 A113 R117 | E5-R9 WeakPolarHBondContact O-CD 3.26Å; E5-R9 VanDerWaalsContact O-CG 3.22Å; E5-R9 WeakPolarHBondContact O-CG 3.32Å; E5-R9 PolarHBondContact O-N 3.44Å; L7-R9 PolarHBondContact O-N 3.07Å; R9-C13 PolarHBondContact O-N 3.44Å; R9-A113 HydrophobicContact CB-CB 3.97Å; R9-R117 VanDerWaalsContact CZ-NH2 3.34Å |
| 10 | M | 72.9 | Confident | 68.3 | Low | 107 Ų | 107 | 71 Ų | 71 | 53% | 0.527 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -75.5 | -41.6 | 174.1 | -162.9 | 171.3 | -63.2 | 0 | 0 | 110.3 | S6 L7 L12 C13 E14 | S6-M10 PolarHBondContact O-N 3.33Å; L7-M10 PolarHBondContact O-N 3.35Å; L7-M10 VanDerWaalsContact O-N 3.16Å; M10-L12 VanDerWaalsContact C-N 3.28Å; M10-L12 PolarHBondContact O-N 2.83Å; M10-C13 WeakPolarHBondContact O-CB 3.4Å; M10-C13 PolarHBondContact O-N 2.75Å; M10-E14 PolarHBondContact O-N 3.28Å |
| 11 | E | 82.5 | Confident | 69.3 | Low | 101 Ų | 101 | 71.4 Ų | 71.4 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 173.4 | -169.8 | 174.7 | -173.2 | 0 | 0 | 112 | L7 S15 V149 | L7-E11 PolarHBondContact O-N 2.95Å; E11-S15 VanDerWaalsContact O-CB 3.28Å; E11-S15 WeakPolarHBondContact O-CB 3.48Å; E11-S15 PolarHBondContact O-N 2.83Å; E11-S15 PolarHBondContact O-OG 3.43Å; E11-V149 HydrophobicContact CG-CG2 4.42Å |
| 12 | L | 84.8 | Confident | 71.8 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 170.2 | -179.5 | 65.7 | 0 | 0 | 0 | 111.9 | D8 M10 L16 V149 A153 | D8-L12 PolarHBondContact O-N 3.39Å; D8-L12 VanDerWaalsContact O-N 3.12Å; M10-L12 VanDerWaalsContact C-N 3.28Å; M10-L12 PolarHBondContact O-N 2.83Å; L12-L16 HydrophobicContact CD1-CD1 3.73Å; L12-L16 HydrophobicContact CD1-CG 4.1Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.89Å; L12-V149 HydrophobicContact CD1-CG1 3.84Å; L12-A153 HydrophobicContact CD1-CB 3.86Å |
| 13 | C | 87.1 | Confident | 74.3 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | -179 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | R9 M10 L17 A112 | R9-C13 PolarHBondContact O-N 3.44Å; M10-C13 WeakPolarHBondContact O-CB 3.4Å; M10-C13 PolarHBondContact O-N 2.75Å; C13-L17 VanDerWaalsContact O-CB 3.23Å; C13-L17 WeakPolarHBondContact O-CB 3.34Å; C13-L17 PolarHBondContact O-N 3.19Å; C13-A112 HydrophobicContact CB-CB 4.26Å; C13-A112 WeakPolarHBondContact CB-O 3.36Å; C13-A112 PolarHBondContact SG-O 3.35Å |
| 14 | E | 87.8 | Confident | 76.5 | Confident | 119 Ų | 119 | 58.2 Ų | 58.2 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.4 | -40.8 | 179.9 | -68.9 | -173.1 | 168.7 | 0 | 0 | 112.2 | M10 L17 T18 | M10-E14 PolarHBondContact O-N 3.28Å; E14-L17 PolarHBondContact O-N 3.34Å; E14-T18 PolarHBondContact O-N 2.78Å; E14-T18 PolarHBondContact O-OG1 2.88Å |
| 15 | S | 89.1 | Confident | 78.8 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 8% | 0.077 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | E11 T18 W19 | E11-S15 VanDerWaalsContact O-CB 3.28Å; E11-S15 WeakPolarHBondContact O-CB 3.48Å; E11-S15 PolarHBondContact O-N 2.83Å; E11-S15 PolarHBondContact O-OG 3.43Å; S15-T18 WeakPolarHBondContact O-CB 3.42Å; S15-T18 PolarHBondContact O-N 2.87Å; S15-W19 PolarHBondContact O-N 3.35Å; S15-W19 VanDerWaalsContact O-N 3.15Å |
| 16 | L | 89.7 | Confident | 80 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.8 | -31 | 176.8 | -67 | 178.3 | 0 | 0 | 0 | 112.8 | L12 W19 I20 G116 L119 Q120 L123 V150 | L12-L16 HydrophobicContact CD1-CD1 3.73Å; L12-L16 HydrophobicContact CD1-CG 4.1Å; L12-L16 HydrophobicContact CG-CD1 3.9Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.89Å; L16-W19 WeakPolarHBondContact O-CB 3.35Å; L16-W19 PolarHBondContact O-N 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.14Å; L16-G116 WeakPolarHBondContact CD1-O 3.39Å; L16-L119 HydrophobicContact CB-CB 3.9Å; L16-L119 HydrophobicContact CB-CD1 3.94Å; L16-L119 HydrophobicContact CD1-CB 3.85Å; L16-L119 HydrophobicContact CG-CB 4.49Å; L16-Q120 HydrophobicContact CD1-CB 4.01Å; L16-L123 HydrophobicContact CD2-CB 4.45Å; L16-L123 HydrophobicContact CD2-CD2 3.6Å; L16-V150 HydrophobicContact CD2-CG2 4.14Å |
| 17 | L | 90.2 | Very high | 81.3 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 171.9 | 177.6 | 62.1 | 0 | 0 | 0 | 111 | C13 E14 W19 I20 Q21 L35 | C13-L17 VanDerWaalsContact O-CB 3.23Å; C13-L17 WeakPolarHBondContact O-CB 3.34Å; C13-L17 PolarHBondContact O-N 3.19Å; E14-L17 PolarHBondContact O-N 3.34Å; L17-W19 PolarHBondContact O-N 3.41Å; L17-I20 PolarHBondContact O-N 2.8Å; L17-I20 VanDerWaalsContact O-N 3.14Å; L17-Q21 WeakPolarHBondContact O-CG 3.45Å; L17-Q21 PolarHBondContact O-N 2.94Å; L17-L35 HydrophobicContact CD1-CD1 3.53Å; L17-L35 HydrophobicContact CD1-CD2 3.66Å; L17-L35 HydrophobicContact CD1-CG 4.26Å |
| 18 | T | 89.5 | Confident | 82.7 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 174.8 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | E14 S15 Q21 M142 | E14-T18 PolarHBondContact O-N 2.78Å; E14-T18 PolarHBondContact O-OG1 2.88Å; S15-T18 WeakPolarHBondContact O-CB 3.42Å; S15-T18 PolarHBondContact O-N 2.87Å; T18-Q21 PolarHBondContact O-N 3.34Å; T18-M142 HydrophobicContact CG2-CE 3.74Å |
| 19 | W | 91.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 173.7 | 173.9 | 72.6 | 0 | 0 | 0 | 112.5 | S15 L16 L17 Q21 T22 F23 I122 L123 A126 M142 | S15-W19 PolarHBondContact O-N 3.35Å; S15-W19 VanDerWaalsContact O-N 3.15Å; L16-W19 WeakPolarHBondContact O-CB 3.35Å; L16-W19 PolarHBondContact O-N 3.48Å; L17-W19 PolarHBondContact O-N 3.41Å; W19-Q21 PolarHBondContact O-N 2.86Å; W19-T22 WeakPolarHBondContact O-CB 3.25Å; W19-T22 WeakPolarHBondContact O-CG2 3.48Å; W19-T22 PolarHBondContact O-N 3.45Å; W19-T22 PolarHBondContact O-OG1 2.79Å; W19-F23 HydrophobicContact CD2-CE2 4.12Å; W19-F23 AromaticContact CE2-CE2 3.67Å; W19-F23 HydrophobicContact CE3-CE2 4.4Å; W19-F23 AromaticContact CH2-CE2 3.84Å; W19-F23 HydrophobicContact CH2-CE2 3.84Å; W19-F23 AromaticContact CH2-CZ 3.85Å; W19-F23 HydrophobicContact CH2-CZ 3.85Å; W19-F23 AromaticContact CZ2-CE2 3.53Å; W19-F23 HydrophobicContact CZ2-CE2 3.53Å; W19-F23 AromaticContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ3-CE2 4.27Å; W19-I122 HydrophobicContact CH2-CG2 4.34Å; W19-I122 HydrophobicContact CZ3-CG2 4.29Å; W19-L123 HydrophobicContact CD2-CD1 4.08Å; W19-L123 HydrophobicContact CE3-CB 4.37Å; W19-L123 HydrophobicContact CE3-CD1 4.3Å; W19-L123 HydrophobicContact CH2-CB 4.02Å; W19-L123 HydrophobicContact CH2-CD1 3.97Å; W19-L123 HydrophobicContact CZ2-CD1 3.68Å; W19-L123 HydrophobicContact CZ3-CB 3.87Å; W19-L123 HydrophobicContact CZ3-CD1 4.25Å; W19-A126 HydrophobicContact CH2-CB 3.79Å; W19-A126 HydrophobicContact CZ2-CB 3.67Å; W19-M142 VanDerWaalsContact CA-CE 3.49Å; W19-M142 HydrophobicContact CB-CE 3.98Å; W19-M142 HydrophobicContact CB-SD 4.12Å; W19-M142 HydrophobicContact CG-SD 4.42Å |
| 20 | I | 90.7 | Very high | 84.1 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -35.4 | 176.8 | -70.8 | -69.2 | 0 | 0 | 0 | 112.1 | L16 L17 T22 F23 V40 V44 L119 | L16-I20 WeakPolarHBondContact O-CG1 3.43Å; L16-I20 PolarHBondContact O-N 3.14Å; L17-I20 PolarHBondContact O-N 2.8Å; L17-I20 VanDerWaalsContact O-N 3.14Å; I20-T22 PolarHBondContact O-N 2.85Å; I20-F23 WeakPolarHBondContact O-CB 3.47Å; I20-F23 WeakPolarHBondContact O-CD2 3.39Å; I20-F23 PolarHBondContact O-N 3.09Å; I20-F23 VanDerWaalsContact O-N 3.11Å; I20-V40 HydrophobicContact CG2-CG1 3.7Å; I20-V44 HydrophobicContact CD1-CB 4.36Å; I20-V44 HydrophobicContact CD1-CG1 3.86Å; I20-V44 HydrophobicContact CD1-CG2 4.04Å; I20-V44 HydrophobicContact CG2-CG2 4.17Å; I20-L119 HydrophobicContact CD1-CD2 3.99Å; I20-L119 HydrophobicContact CG1-CD1 4.32Å; I20-L119 HydrophobicContact CG1-CD2 3.81Å |
| 21 | Q | 88.7 | Confident | 84.6 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -23.7 | 177.9 | -72.3 | 171.2 | 2.1 | 0 | 0 | 113.2 | L17 T18 W19 F23 G24 C29 | L17-Q21 WeakPolarHBondContact O-CG 3.45Å; L17-Q21 PolarHBondContact O-N 2.94Å; T18-Q21 PolarHBondContact O-N 3.34Å; W19-Q21 PolarHBondContact O-N 2.86Å; Q21-F23 PolarHBondContact O-N 2.9Å; Q21-G24 PolarHBondContact O-N 2.7Å; Q21-C29 WeakPolarHBondContact CG-O 3.38Å; Q21-C29 PolarHBondContact NE2-O 2.89Å |
| 22 | T | 88.5 | Confident | 84.7 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.5 | 176.5 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | W19 I20 G24 T138 M142 | W19-T22 WeakPolarHBondContact O-CB 3.25Å; W19-T22 WeakPolarHBondContact O-CG2 3.48Å; W19-T22 PolarHBondContact O-N 3.45Å; W19-T22 PolarHBondContact O-OG1 2.79Å; I20-T22 PolarHBondContact O-N 2.85Å; T22-G24 VanDerWaalsContact C-N 3.32Å; T22-G24 PolarHBondContact O-N 3.38Å; T22-T138 HydrophobicContact CG2-CG2 4.15Å; T22-M142 HydrophobicContact CG2-CE 4.15Å; T22-M142 HydrophobicContact CG2-SD 4.31Å |
| 23 | F | 84.9 | Confident | 84.7 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.8 | -179.3 | -73 | -102.1 | 0 | 0 | 0 | 113.5 | W19 I20 Q21 V25 V44 K47 I48 Y135 | W19-F23 HydrophobicContact CD2-CE2 4.12Å; W19-F23 AromaticContact CE2-CE2 3.67Å; W19-F23 HydrophobicContact CE3-CE2 4.4Å; W19-F23 AromaticContact CH2-CE2 3.84Å; W19-F23 HydrophobicContact CH2-CE2 3.84Å; W19-F23 AromaticContact CH2-CZ 3.85Å; W19-F23 HydrophobicContact CH2-CZ 3.85Å; W19-F23 AromaticContact CZ2-CE2 3.53Å; W19-F23 HydrophobicContact CZ2-CE2 3.53Å; W19-F23 AromaticContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ2-CZ 3.55Å; W19-F23 HydrophobicContact CZ3-CE2 4.27Å; I20-F23 WeakPolarHBondContact O-CB 3.47Å; I20-F23 WeakPolarHBondContact O-CD2 3.39Å; I20-F23 PolarHBondContact O-N 3.09Å; I20-F23 VanDerWaalsContact O-N 3.11Å; Q21-F23 PolarHBondContact O-N 2.9Å; F23-V25 HydrophobicContact CB-CG1 4.07Å; F23-V25 PolarHBondContact O-N 2.91Å; F23-V44 HydrophobicContact CB-CG2 4.09Å; F23-V44 HydrophobicContact CD1-CG1 3.96Å; F23-V44 HydrophobicContact CD1-CG2 4.39Å; F23-V44 HydrophobicContact CD2-CG1 4.25Å; F23-V44 HydrophobicContact CD2-CG2 4.4Å; F23-V44 HydrophobicContact CE1-CG1 3.82Å; F23-V44 HydrophobicContact CE2-CG1 4.12Å; F23-V44 HydrophobicContact CG-CG1 4.17Å; F23-V44 HydrophobicContact CG-CG2 4.05Å; F23-V44 HydrophobicContact CZ-CG1 3.91Å; F23-K47 HydrophobicContact CB-CD 4.45Å; F23-K47 HydrophobicContact CD1-CB 4.11Å; F23-K47 HydrophobicContact CD1-CD 4.22Å; F23-K47 PolarHBondContact O-NZ 3.28Å; F23-I48 HydrophobicContact CE1-CG1 4.03Å; F23-I48 HydrophobicContact CZ-CG1 4.34Å; F23-Y135 HydrophobicContact CD1-CE1 4.24Å; F23-Y135 AromaticContact CE1-CD1 3.93Å; F23-Y135 HydrophobicContact CE1-CD1 3.93Å; F23-Y135 AromaticContact CE1-CE1 3.27Å; F23-Y135 HydrophobicContact CE1-CE1 3.27Å; F23-Y135 AromaticContact CE1-CZ 3.94Å; F23-Y135 AromaticContact CZ-CD1 3.73Å; F23-Y135 HydrophobicContact CZ-CD1 3.73Å; F23-Y135 AromaticContact CZ-CE1 3.59Å; F23-Y135 HydrophobicContact CZ-CE1 3.59Å |
| 24 | G | 77.6 | Confident | 84.6 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | trans | 52.8 | 54.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q21 T22 K47 | Q21-G24 PolarHBondContact O-N 2.7Å; T22-G24 VanDerWaalsContact C-N 3.32Å; T22-G24 PolarHBondContact O-N 3.38Å; G24-K47 PolarHBondContact O-NZ 3.14Å | ||
| 25 | V | 82.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | trans | -80.5 | 159.4 | -179.2 | -64.4 | 0 | 0 | 0 | 0 | 112 | F23 A27 V40 Q43 V44 | F23-V25 HydrophobicContact CB-CG1 4.07Å; F23-V25 PolarHBondContact O-N 2.91Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.91Å; V25-V40 HydrophobicContact CG2-CG1 4.09Å; V25-Q43 HydrophobicContact CB-CB 4.23Å; V25-Q43 HydrophobicContact CG1-CB 3.94Å; V25-V44 HydrophobicContact CG1-CG2 3.94Å | ||
| 26 | E | 73.5 | Confident | 84.5 | Confident | 191 Ų | 191 | 51.7 Ų | 51.7 | 89% | 0.893 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -69.3 | -28.7 | -176.7 | -65.6 | -176.1 | 167.5 | 0 | 0 | 113 | ||
| 27 | A | 76.3 | Confident | 84.4 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -78.2 | 144.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V25 C29 V39 V40 | V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.91Å; A27-C29 PolarHBondContact O-N 3.2Å; A27-V39 HydrophobicContact CB-CG1 4.24Å; A27-V40 HydrophobicContact CB-CG2 3.72Å |
| 28 | P | 77 | Confident | 84.3 | Confident | 92 Ų | 92 | 52 Ų | 52 | 60% | 0.597 | 29% | 0.29 | S | S | * | . | trans | -58.2 | 137.5 | 172.7 | 25.4 | -32.3 | 0 | 0 | 0 | 109.8 | D34 V40 | P28-D34 VanDerWaalsContact O-CB 3.32Å; P28-D34 WeakPolarHBondContact O-CB 3.46Å; P28-V40 WeakPolarHBondContact O-CG2 3.48Å | ||
| 29 | C | 82.3 | Confident | 84.3 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | trans | -140.3 | 37.4 | -177.1 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | Q21 A27 L35 V40 | Q21-C29 WeakPolarHBondContact CG-O 3.38Å; Q21-C29 PolarHBondContact NE2-O 2.89Å; A27-C29 PolarHBondContact O-N 3.2Å; C29-L35 HydrophobicContact CB-CD1 4.01Å; C29-V40 HydrophobicContact CB-CG1 3.91Å; C29-V40 HydrophobicContact CB-CG2 4.12Å | ||
| 30 | K | 79.4 | Confident | 84.3 | Confident | 175 Ų | 175 | 50.1 Ų | 50.1 | 76% | 0.761 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -88.9 | -31.5 | -174.6 | -69 | -174.1 | 179 | -178.4 | 0 | 112.5 | D34 | K30-D34 PolarHBondContact N-OD2 2.68Š|
| 31 | T | 84.3 | Confident | 84.4 | Confident | 66 Ų | 66 | 50.1 Ų | 50.1 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -120.3 | 159.9 | -177.2 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | E33 D34 | T31-E33 PolarHBondContact O-N 3.44Å; T31-D34 PolarHBondContact N-OD2 3.47Å; T31-D34 VanDerWaalsContact N-OD2 3.12Å; T31-D34 WeakPolarHBondContact O-CB 3.33Å; T31-D34 PolarHBondContact O-N 3.3Å; T31-D34 VanDerWaalsContact OG1-CG 3.28Å; T31-D34 PolarHBondContact OG1-N 3.24Å; T31-D34 PolarHBondContact OG1-OD2 3.39Å |
| 32 | V | 83.8 | Confident | 84.5 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -51.4 | -39.2 | 170.4 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | D34 L35 T36 A112 L115 | V32-D34 PolarHBondContact O-N 2.83Å; V32-L35 PolarHBondContact O-N 2.81Å; V32-T36 PolarHBondContact O-N 2.87Å; V32-A112 HydrophobicContact CG1-CB 4.33Å; V32-L115 HydrophobicContact CB-CD2 4.16Å; V32-L115 HydrophobicContact CG1-CD2 3.52Å |
| 33 | E | 84.1 | Confident | 84.6 | Confident | 124 Ų | 124 | 44.9 Ų | 44.9 | 58% | 0.579 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.7 | -34.6 | -176.7 | -159.3 | 164.2 | -160.3 | 0 | 0 | 112.9 | T31 L35 T36 | T31-E33 PolarHBondContact O-N 3.44Å; E33-L35 PolarHBondContact O-N 3.29Å; E33-T36 WeakPolarHBondContact O-CB 3.31Å; E33-T36 PolarHBondContact O-N 3.41Å; E33-T36 PolarHBondContact O-OG1 2.93Å |
| 34 | D | 84.9 | Confident | 84.9 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -35.3 | 176.3 | -67.8 | -26.8 | 0 | 0 | 0 | 112 | P28 K30 T31 V32 S37 | P28-D34 VanDerWaalsContact O-CB 3.32Å; P28-D34 WeakPolarHBondContact O-CB 3.46Å; K30-D34 PolarHBondContact N-OD2 2.68Å; T31-D34 PolarHBondContact N-OD2 3.47Å; T31-D34 VanDerWaalsContact N-OD2 3.12Å; T31-D34 WeakPolarHBondContact O-CB 3.33Å; T31-D34 PolarHBondContact O-N 3.3Å; T31-D34 VanDerWaalsContact OG1-CG 3.28Å; T31-D34 PolarHBondContact OG1-N 3.24Å; T31-D34 PolarHBondContact OG1-OD2 3.39Å; V32-D34 PolarHBondContact O-N 2.83Å; D34-S37 PolarHBondContact O-OG 2.87Å |
| 35 | L | 87.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.1 | -20.7 | -178.4 | -84.9 | 66.5 | 0 | 0 | 0 | 113.1 | L17 C29 V32 E33 S37 G38 V40 M41 L115 L119 | L17-L35 HydrophobicContact CD1-CD1 3.53Å; L17-L35 HydrophobicContact CD1-CD2 3.66Å; L17-L35 HydrophobicContact CD1-CG 4.26Å; C29-L35 HydrophobicContact CB-CD1 4.01Å; V32-L35 PolarHBondContact O-N 2.81Å; E33-L35 PolarHBondContact O-N 3.29Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-S37 VanDerWaalsContact O-N 3.12Å; L35-G38 PolarHBondContact O-N 3.42Å; L35-V40 HydrophobicContact CD1-CG1 4.16Å; L35-V40 HydrophobicContact CD1-CG2 4.48Å; L35-V40 HydrophobicContact CG-CB 4.29Å; L35-V40 HydrophobicContact CG-CG1 4.07Å; L35-M41 HydrophobicContact CB-CE 4.41Å; L35-L115 HydrophobicContact CB-CD1 4.17Å; L35-L115 HydrophobicContact CB-CD2 4.05Å; L35-L115 HydrophobicContact CD2-CD2 4.36Å; L35-L119 HydrophobicContact CD2-CD1 3.84Å; L35-L119 HydrophobicContact CD2-CD2 3.99Å; L35-L119 HydrophobicContact CD2-CG 4.4Å |
| 36 | T | 89 | Confident | 86 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.7 | -179.9 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | V32 E33 G38 K72 I106 A110 | V32-T36 PolarHBondContact O-N 2.87Å; E33-T36 WeakPolarHBondContact O-CB 3.31Å; E33-T36 PolarHBondContact O-N 3.41Å; E33-T36 PolarHBondContact O-OG1 2.93Å; T36-G38 PolarHBondContact O-N 3.3Å; T36-K72 WeakPolarHBondContact O-CB 3.43Å; T36-K72 PolarHBondContact OG1-NZ 3.5Å; T36-I106 HydrophobicContact CG2-CG2 4.29Å; T36-A110 HydrophobicContact CG2-CB 3.82Å |
| 37 | S | 87.2 | Confident | 86.7 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 16% | 0.161 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21 | 175.8 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | D34 L35 V39 N75 | D34-S37 PolarHBondContact O-OG 2.87Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-S37 VanDerWaalsContact O-N 3.12Å; S37-V39 PolarHBondContact O-N 2.93Å; S37-V39 PolarHBondContact OG-N 3.47Å; S37-N75 PolarHBondContact O-ND2 2.9Å; S37-N75 VanDerWaalsContact O-ND2 3.12Å |
| 38 | G | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 74.3 | -8.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L35 T36 M41 A42 I79 | L35-G38 PolarHBondContact O-N 3.42Å; T36-G38 PolarHBondContact O-N 3.3Å; G38-M41 PolarHBondContact O-N 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.45Å; G38-A42 PolarHBondContact O-N 3.35Å; G38-I79 VanDerWaalsContact CA-CD1 3.43Å; G38-I79 WeakPolarHBondContact O-CD1 3.44Å |
| 39 | V | 90.3 | Very high | 88 | Confident | 20 Ų | 20 | 33.8 Ų | 33.8 | 12% | 0.121 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -45.4 | -176.1 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | A27 S37 M41 A42 Q43 I61 P63 | A27-V39 HydrophobicContact CB-CG1 4.24Å; S37-V39 PolarHBondContact O-N 2.93Å; S37-V39 PolarHBondContact OG-N 3.47Å; V39-M41 PolarHBondContact O-N 3.31Å; V39-A42 PolarHBondContact O-N 3.42Å; V39-Q43 WeakPolarHBondContact O-CG 3.34Å; V39-Q43 PolarHBondContact O-N 3.35Å; V39-I61 HydrophobicContact CG2-CG2 4.4Å; V39-P63 HydrophobicContact CG2-CB 4.49Å |
| 40 | V | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I20 V25 A27 P28 C29 L35 A42 Q43 V44 | I20-V40 HydrophobicContact CG2-CG1 3.7Å; V25-V40 HydrophobicContact CG2-CG1 4.09Å; A27-V40 HydrophobicContact CB-CG2 3.72Å; P28-V40 WeakPolarHBondContact O-CG2 3.48Å; C29-V40 HydrophobicContact CB-CG1 3.91Å; C29-V40 HydrophobicContact CB-CG2 4.12Å; L35-V40 HydrophobicContact CD1-CG1 4.16Å; L35-V40 HydrophobicContact CD1-CG2 4.48Å; L35-V40 HydrophobicContact CG-CB 4.29Å; L35-V40 HydrophobicContact CG-CG1 4.07Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.16Å; V40-Q43 PolarHBondContact O-N 3.4Å; V40-V44 WeakPolarHBondContact O-CG2 3.35Å; V40-V44 PolarHBondContact O-N 2.92Å |
| 41 | M | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 178.8 | -65.2 | 176.6 | -169.4 | 0 | 0 | 112.3 | L35 G38 V39 V44 L45 L76 I79 L115 M118 L119 I122 | L35-M41 HydrophobicContact CB-CE 4.41Å; G38-M41 PolarHBondContact O-N 3.29Å; V39-M41 PolarHBondContact O-N 3.31Å; M41-V44 PolarHBondContact O-N 3.47Å; M41-L45 WeakPolarHBondContact O-CB 3.49Å; M41-L45 WeakPolarHBondContact O-CG 3.41Å; M41-L45 PolarHBondContact O-N 3.35Å; M41-L76 HydrophobicContact CE-CD2 4.14Å; M41-L76 HydrophobicContact SD-CD2 3.88Å; M41-I79 HydrophobicContact CB-CD1 4.28Å; M41-I79 HydrophobicContact CB-CG2 4.15Å; M41-I79 HydrophobicContact SD-CG2 4.46Å; M41-L115 HydrophobicContact CE-CD1 3.09Å; M41-L115 HydrophobicContact CE-CG 4.42Å; M41-M118 HydrophobicContact CE-CB 4.39Å; M41-M118 HydrophobicContact CE-CG 3.86Å; M41-M118 HydrophobicContact SD-CE 4.03Å; M41-M118 HydrophobicContact SD-CG 3.63Å; M41-L119 HydrophobicContact CE-CD2 4.21Å; M41-L119 HydrophobicContact CG-CD2 4.3Å; M41-I122 HydrophobicContact CB-CD1 3.67Å; M41-I122 HydrophobicContact CG-CD1 3.68Å; M41-I122 HydrophobicContact SD-CD1 4.14Å |
| 42 | A | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | G38 V39 V40 L45 Q46 W57 I58 I61 I79 | G38-A42 WeakPolarHBondContact O-CB 3.45Å; G38-A42 PolarHBondContact O-N 3.35Å; V39-A42 PolarHBondContact O-N 3.42Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.16Å; A42-L45 PolarHBondContact O-N 2.87Å; A42-Q46 PolarHBondContact O-N 2.88Å; A42-W57 HydrophobicContact CB-CH2 4.16Å; A42-W57 HydrophobicContact CB-CZ3 3.86Å; A42-I58 HydrophobicContact CB-CG1 4.18Å; A42-I61 HydrophobicContact CB-CB 4.39Å; A42-I61 HydrophobicContact CB-CG1 3.87Å; A42-I61 HydrophobicContact CB-CG2 4.25Å; A42-I79 HydrophobicContact CB-CD1 4.37Å; A42-I79 HydrophobicContact CB-CG1 4.37Å |
| 43 | Q | 89.9 | Confident | 89.3 | Confident | 35 Ų | 35 | 32.5 Ų | 32.5 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 174.6 | -71.8 | 176.8 | -17.5 | 0 | 0 | 112 | V25 V39 V40 Q46 K47 I58 | V25-Q43 HydrophobicContact CB-CB 4.23Å; V25-Q43 HydrophobicContact CG1-CB 3.94Å; V39-Q43 WeakPolarHBondContact O-CG 3.34Å; V39-Q43 PolarHBondContact O-N 3.35Å; V40-Q43 PolarHBondContact O-N 3.4Å; Q43-Q46 PolarHBondContact O-N 3.36Å; Q43-K47 PolarHBondContact O-N 3.44Å; Q43-K47 VanDerWaalsContact O-N 3.1Å; Q43-I58 HydrophobicContact CG-CD1 3.95Å |
| 44 | V | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 175 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | I20 F23 V25 V40 M41 Q46 K47 I48 I122 | I20-V44 HydrophobicContact CD1-CB 4.36Å; I20-V44 HydrophobicContact CD1-CG1 3.86Å; I20-V44 HydrophobicContact CD1-CG2 4.04Å; I20-V44 HydrophobicContact CG2-CG2 4.17Å; F23-V44 HydrophobicContact CB-CG2 4.09Å; F23-V44 HydrophobicContact CD1-CG1 3.96Å; F23-V44 HydrophobicContact CD1-CG2 4.39Å; F23-V44 HydrophobicContact CD2-CG1 4.25Å; F23-V44 HydrophobicContact CD2-CG2 4.4Å; F23-V44 HydrophobicContact CE1-CG1 3.82Å; F23-V44 HydrophobicContact CE2-CG1 4.12Å; F23-V44 HydrophobicContact CG-CG1 4.17Å; F23-V44 HydrophobicContact CG-CG2 4.05Å; F23-V44 HydrophobicContact CZ-CG1 3.91Å; V25-V44 HydrophobicContact CG1-CG2 3.94Å; V40-V44 WeakPolarHBondContact O-CG2 3.35Å; V40-V44 PolarHBondContact O-N 2.92Å; M41-V44 PolarHBondContact O-N 3.47Å; V44-Q46 VanDerWaalsContact C-N 3.29Å; V44-Q46 PolarHBondContact O-N 3.04Å; V44-K47 WeakPolarHBondContact O-CA 3.41Å; V44-K47 WeakPolarHBondContact O-CB 3.34Å; V44-K47 PolarHBondContact O-N 2.85Å; V44-I48 HydrophobicContact CG1-CD1 3.82Å; V44-I48 HydrophobicContact CG1-CG1 4.38Å; V44-I48 WeakPolarHBondContact O-CG1 3.21Å; V44-I48 PolarHBondContact O-N 3.29Å; V44-I122 HydrophobicContact CG1-CG2 3.82Å |
| 45 | L | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 176.1 | -74.7 | 167 | 0 | 0 | 0 | 112.4 | M41 A42 K47 I48 D49 F53 W57 I79 I83 I122 | M41-L45 WeakPolarHBondContact O-CB 3.49Å; M41-L45 WeakPolarHBondContact O-CG 3.41Å; M41-L45 PolarHBondContact O-N 3.35Å; A42-L45 PolarHBondContact O-N 2.87Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.85Å; L45-I48 HydrophobicContact CD2-CD1 4.34Å; L45-I48 PolarHBondContact O-N 2.86Å; L45-D49 PolarHBondContact O-N 3.25Å; L45-D49 VanDerWaalsContact O-N 3.08Å; L45-F53 HydrophobicContact CB-CB 4.42Å; L45-F53 HydrophobicContact CB-CD1 4.08Å; L45-F53 HydrophobicContact CB-CD2 3.88Å; L45-F53 HydrophobicContact CB-CE1 4.28Å; L45-F53 HydrophobicContact CB-CE2 4.1Å; L45-F53 HydrophobicContact CB-CG 3.87Å; L45-F53 HydrophobicContact CB-CZ 4.29Å; L45-F53 HydrophobicContact CD1-CE1 4.21Å; L45-F53 HydrophobicContact CD1-CZ 4.34Å; L45-F53 HydrophobicContact CD2-CD2 4.43Å; L45-F53 HydrophobicContact CD2-CE2 3.82Å; L45-F53 HydrophobicContact CD2-CZ 3.87Å; L45-F53 HydrophobicContact CG-CE2 4.47Å; L45-F53 HydrophobicContact CG-CZ 4.4Å; L45-F53 VanDerWaalsContact O-CD2 3.25Å; L45-F53 WeakPolarHBondContact O-CD2 3.36Å; L45-W57 HydrophobicContact CB-CH2 4.42Å; L45-W57 HydrophobicContact CB-CZ3 4.42Å; L45-W57 HydrophobicContact CD1-CH2 3.85Å; L45-I79 HydrophobicContact CD1-CG2 3.66Å; L45-I83 HydrophobicContact CD1-CD1 4.06Å; L45-I83 HydrophobicContact CD1-CG1 3.74Å; L45-I83 HydrophobicContact CD2-CG1 3.97Å; L45-I122 HydrophobicContact CD2-CG1 4.18Å; L45-I122 HydrophobicContact CD2-CG2 4.12Å; L45-I122 HydrophobicContact CG-CG1 4.35Å; L45-I122 HydrophobicContact CG-CG2 4.41Å |
| 46 | Q | 91.6 | Very high | 89.8 | Confident | 35 Ų | 35 | 36 Ų | 36 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -37.2 | 172.4 | 177.4 | 172.4 | 53.1 | 0 | 0 | 112.6 | A42 Q43 V44 D49 I50 F53 D55 I58 | A42-Q46 PolarHBondContact O-N 2.88Å; Q43-Q46 PolarHBondContact O-N 3.36Å; V44-Q46 VanDerWaalsContact C-N 3.29Å; V44-Q46 PolarHBondContact O-N 3.04Å; Q46-D49 CarbonylContact O-C 3.6Å; Q46-I50 HydrophobicContact CG-CG1 4.36Å; Q46-I50 WeakPolarHBondContact O-CA 3.49Å; Q46-I50 PolarHBondContact O-N 3.21Å; Q46-F53 HydrophobicContact CB-CB 4.44Å; Q46-F53 WeakPolarHBondContact CB-O 3.47Å; Q46-F53 WeakPolarHBondContact CG-O 3.32Å; Q46-D55 PolarHBondContact NE2-OD1 3.28Å; Q46-I58 HydrophobicContact CB-CD1 4.29Å; Q46-I58 VanDerWaalsContact OE1-CD1 3.27Å |
| 47 | K | 88.4 | Confident | 89.9 | Confident | 102 Ų | 102 | 37.3 Ų | 37.3 | 44% | 0.443 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.5 | -38 | 174.3 | -72.5 | -167.5 | 177 | -164.9 | 0 | 112.4 | F23 G24 Q43 V44 L45 Y135 | F23-K47 HydrophobicContact CB-CD 4.45Å; F23-K47 HydrophobicContact CD1-CB 4.11Å; F23-K47 HydrophobicContact CD1-CD 4.22Å; F23-K47 PolarHBondContact O-NZ 3.28Å; G24-K47 PolarHBondContact O-NZ 3.14Å; Q43-K47 PolarHBondContact O-N 3.44Å; Q43-K47 VanDerWaalsContact O-N 3.1Å; V44-K47 WeakPolarHBondContact O-CA 3.41Å; V44-K47 WeakPolarHBondContact O-CB 3.34Å; V44-K47 PolarHBondContact O-N 2.85Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.85Å; K47-Y135 VanDerWaalsContact C-OH 3.31Å; K47-Y135 PolarHBondContact O-OH 2.88Å |
| 48 | I | 89.9 | Confident | 90 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 179.5 | -70.6 | 165.5 | 0 | 0 | 0 | 111.4 | F23 V44 L45 I122 C125 A126 C129 Y135 | F23-I48 HydrophobicContact CE1-CG1 4.03Å; F23-I48 HydrophobicContact CZ-CG1 4.34Å; V44-I48 HydrophobicContact CG1-CD1 3.82Å; V44-I48 HydrophobicContact CG1-CG1 4.38Å; V44-I48 WeakPolarHBondContact O-CG1 3.21Å; V44-I48 PolarHBondContact O-N 3.29Å; L45-I48 HydrophobicContact CD2-CD1 4.34Å; L45-I48 PolarHBondContact O-N 2.86Å; I48-I122 HydrophobicContact CD1-CG2 3.62Å; I48-C125 HydrophobicContact CG2-CB 4.36Å; I48-A126 HydrophobicContact CD1-CB 3.81Å; I48-A126 HydrophobicContact CG1-CB 3.98Å; I48-A126 HydrophobicContact CG2-CB 4.47Å; I48-C129 HydrophobicContact CG2-CB 4.04Å; I48-Y135 VanDerWaalsContact CA-OH 3.31Å; I48-Y135 WeakPolarHBondContact CA-OH 3.42Å; I48-Y135 HydrophobicContact CG1-CE2 4.27Å; I48-Y135 PolarHBondContact N-OH 3.28Å |
| 49 | D | 89.6 | Confident | 90 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | trans | -152.7 | 92.1 | 178.5 | -166.4 | -22.8 | 0 | 0 | 0 | 111.1 | L45 Q46 S51 Y52 F53 Y86 | L45-D49 PolarHBondContact O-N 3.25Å; L45-D49 VanDerWaalsContact O-N 3.08Å; Q46-D49 CarbonylContact O-C 3.6Å; D49-S51 PolarHBondContact O-N 2.86Å; D49-S51 VanDerWaalsContact OD1-CB 3.3Å; D49-S51 WeakPolarHBondContact OD1-CB 3.39Å; D49-S51 PolarHBondContact OD1-N 2.79Å; D49-S51 PolarHBondContact OD1-OG 3Å; D49-Y52 PolarHBondContact O-N 3.5Å; D49-Y52 PolarHBondContact OD1-N 2.79Å; D49-F53 HydrophobicContact CB-CD2 4.4Å; D49-F53 WeakPolarHBondContact O-CB 3.44Å; D49-F53 PolarHBondContact O-N 3.42Å; D49-Y86 HydrophobicContact CB-CE2 4.09Å; D49-Y86 VanDerWaalsContact OD2-CE2 3.25Å; D49-Y86 WeakPolarHBondContact OD2-CE2 3.28Å; D49-Y86 PolarHBondContact OD2-OH 2.84Å | ||
| 50 | I | 88.8 | Confident | 89.9 | Confident | 119 Ų | 119 | 50 Ų | 50 | 61% | 0.61 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20 | 179.2 | -160 | 164.2 | 0 | 0 | 0 | 112.8 | Q46 | Q46-I50 HydrophobicContact CG-CG1 4.36Å; Q46-I50 WeakPolarHBondContact O-CA 3.49Å; Q46-I50 PolarHBondContact O-N 3.21Å |
| 51 | S | 87.5 | Confident | 89.8 | Confident | 94 Ų | 94 | 50.4 Ų | 50.4 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -37.4 | 179.9 | 80.1 | 0 | 0 | 0 | 0 | 111.2 | D49 | D49-S51 PolarHBondContact O-N 2.86Å; D49-S51 VanDerWaalsContact OD1-CB 3.3Å; D49-S51 WeakPolarHBondContact OD1-CB 3.39Å; D49-S51 PolarHBondContact OD1-N 2.79Å; D49-S51 PolarHBondContact OD1-OG 3Å |
| 52 | Y | 89.4 | Confident | 89.6 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -52.5 | 177.9 | -169.4 | -95.6 | 0 | 0 | 0 | 112.1 | D49 N54 D85 Y86 V90 | D49-Y52 PolarHBondContact O-N 3.5Å; D49-Y52 PolarHBondContact OD1-N 2.79Å; Y52-N54 VanDerWaalsContact C-N 3.28Å; Y52-N54 PolarHBondContact O-N 3.28Å; Y52-N54 VanDerWaalsContact O-N 3.08Å; Y52-D85 WeakPolarHBondContact OH-CB 3.28Å; Y52-Y86 AromaticContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CD2 3.46Å; Y52-Y86 VanDerWaalsContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CE2 4.25Å; Y52-Y86 HydrophobicContact CD1-CG 4.25Å; Y52-Y86 HydrophobicContact CD2-CD2 4.08Å; Y52-Y86 AromaticContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CG 4.34Å; Y52-Y86 HydrophobicContact CE2-CD2 4.46Å; Y52-Y86 AromaticContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CE2 4.03Å; Y52-Y86 PolarHBondContact OH-N 3.26Å; Y52-V90 HydrophobicContact CD2-CG2 3.7Å; Y52-V90 HydrophobicContact CE2-CG2 3.96Å; Y52-V90 HydrophobicContact CG-CG2 4.34Å |
| 53 | F | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -88.2 | 61.5 | 179.3 | -61.5 | -72.7 | 0 | 0 | 0 | 111.3 | L45 Q46 D49 W57 Y86 | L45-F53 HydrophobicContact CB-CB 4.42Å; L45-F53 HydrophobicContact CB-CD1 4.08Å; L45-F53 HydrophobicContact CB-CD2 3.88Å; L45-F53 HydrophobicContact CB-CE1 4.28Å; L45-F53 HydrophobicContact CB-CE2 4.1Å; L45-F53 HydrophobicContact CB-CG 3.87Å; L45-F53 HydrophobicContact CB-CZ 4.29Å; L45-F53 HydrophobicContact CD1-CE1 4.21Å; L45-F53 HydrophobicContact CD1-CZ 4.34Å; L45-F53 HydrophobicContact CD2-CD2 4.43Å; L45-F53 HydrophobicContact CD2-CE2 3.82Å; L45-F53 HydrophobicContact CD2-CZ 3.87Å; L45-F53 HydrophobicContact CG-CE2 4.47Å; L45-F53 HydrophobicContact CG-CZ 4.4Å; L45-F53 VanDerWaalsContact O-CD2 3.25Å; L45-F53 WeakPolarHBondContact O-CD2 3.36Å; Q46-F53 HydrophobicContact CB-CB 4.44Å; Q46-F53 WeakPolarHBondContact CB-O 3.47Å; Q46-F53 WeakPolarHBondContact CG-O 3.32Å; D49-F53 HydrophobicContact CB-CD2 4.4Å; D49-F53 WeakPolarHBondContact O-CB 3.44Å; D49-F53 PolarHBondContact O-N 3.42Å; F53-W57 HydrophobicContact CB-CE3 4.06Å; F53-W57 HydrophobicContact CB-CZ3 4.29Å; F53-W57 AromaticContact CD1-CD2 3.74Å; F53-W57 HydrophobicContact CD1-CD2 3.74Å; F53-W57 AromaticContact CD1-CE2 3.72Å; F53-W57 AromaticContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CG 4.48Å; F53-W57 AromaticContact CD1-CH2 3.64Å; F53-W57 HydrophobicContact CD1-CH2 3.64Å; F53-W57 AromaticContact CD1-CZ2 3.69Å; F53-W57 HydrophobicContact CD1-CZ2 3.69Å; F53-W57 AromaticContact CD1-CZ3 3.63Å; F53-W57 HydrophobicContact CD1-CZ3 3.63Å; F53-W57 AromaticContact CE1-CH2 3.95Å; F53-W57 HydrophobicContact CE1-CH2 3.95Å; F53-W57 AromaticContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ3 4.4Å; F53-W57 HydrophobicContact CG-CE3 4.34Å; F53-W57 HydrophobicContact CG-CZ3 4.31Å; F53-Y86 AromaticContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CE2 4.41Å; F53-Y86 HydrophobicContact CE2-CG 4.04Å; F53-Y86 HydrophobicContact CZ-CD2 4.39Å; F53-Y86 HydrophobicContact CZ-CG 4.19Å |
| 54 | N | 89.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | trans | -75.3 | 175.4 | -177.1 | 64.2 | 36.6 | 0 | 0 | 0 | 114.1 | Y52 A56 W57 I58 | Y52-N54 VanDerWaalsContact C-N 3.28Å; Y52-N54 PolarHBondContact O-N 3.28Å; Y52-N54 VanDerWaalsContact O-N 3.08Å; N54-A56 PolarHBondContact O-N 3.39Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CA 3.39Å; N54-A56 WeakPolarHBondContact OD1-CB 3.43Å; N54-A56 PolarHBondContact OD1-N 2.94Å; N54-W57 WeakPolarHBondContact O-CA 3.41Å; N54-W57 WeakPolarHBondContact O-CB 3.47Å; N54-W57 PolarHBondContact O-N 2.91Å; N54-W57 PolarHBondContact OD1-N 3.48Å; N54-I58 PolarHBondContact O-N 3.38Å | ||
| 55 | D | 88.3 | Confident | 87.1 | Confident | 112 Ų | 112 | 68.1 Ų | 68.1 | 60% | 0.599 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.7 | -29.1 | 179.9 | -66.1 | -33.1 | 0 | 0 | 0 | 113.6 | Q46 W57 I58 T59 | Q46-D55 PolarHBondContact NE2-OD1 3.28Å; D55-W57 VanDerWaalsContact C-N 3.33Å; D55-I58 WeakPolarHBondContact O-CG2 3.36Å; D55-T59 WeakPolarHBondContact O-CB 3.49Å; D55-T59 PolarHBondContact O-N 3.31Å; D55-T59 VanDerWaalsContact O-N 3.11Å; D55-T59 PolarHBondContact O-OG1 3.08Å |
| 56 | A | 88.4 | Confident | 86.4 | Confident | 66 Ų | 66 | 70.8 Ų | 70.8 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.5 | -28.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N54 | N54-A56 PolarHBondContact O-N 3.39Å; N54-A56 VanDerWaalsContact O-N 3.16Å; N54-A56 WeakPolarHBondContact OD1-CA 3.39Å; N54-A56 WeakPolarHBondContact OD1-CB 3.43Å; N54-A56 PolarHBondContact OD1-N 2.94Å |
| 57 | W | 91.6 | Very high | 85.7 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 11% | 0.106 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -76.1 | -47.9 | 172.8 | -178.5 | 90 | 0 | 0 | 0 | 111.3 | A42 L45 F53 N54 D55 T59 R60 I79 | A42-W57 HydrophobicContact CB-CH2 4.16Å; A42-W57 HydrophobicContact CB-CZ3 3.86Å; L45-W57 HydrophobicContact CB-CH2 4.42Å; L45-W57 HydrophobicContact CB-CZ3 4.42Å; L45-W57 HydrophobicContact CD1-CH2 3.85Å; F53-W57 HydrophobicContact CB-CE3 4.06Å; F53-W57 HydrophobicContact CB-CZ3 4.29Å; F53-W57 AromaticContact CD1-CD2 3.74Å; F53-W57 HydrophobicContact CD1-CD2 3.74Å; F53-W57 AromaticContact CD1-CE2 3.72Å; F53-W57 AromaticContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CE3 3.68Å; F53-W57 HydrophobicContact CD1-CG 4.48Å; F53-W57 AromaticContact CD1-CH2 3.64Å; F53-W57 HydrophobicContact CD1-CH2 3.64Å; F53-W57 AromaticContact CD1-CZ2 3.69Å; F53-W57 HydrophobicContact CD1-CZ2 3.69Å; F53-W57 AromaticContact CD1-CZ3 3.63Å; F53-W57 HydrophobicContact CD1-CZ3 3.63Å; F53-W57 AromaticContact CE1-CH2 3.95Å; F53-W57 HydrophobicContact CE1-CH2 3.95Å; F53-W57 AromaticContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ2 3.77Å; F53-W57 HydrophobicContact CE1-CZ3 4.4Å; F53-W57 HydrophobicContact CG-CE3 4.34Å; F53-W57 HydrophobicContact CG-CZ3 4.31Å; N54-W57 WeakPolarHBondContact O-CA 3.41Å; N54-W57 WeakPolarHBondContact O-CB 3.47Å; N54-W57 PolarHBondContact O-N 2.91Å; N54-W57 PolarHBondContact OD1-N 3.48Å; D55-W57 VanDerWaalsContact C-N 3.33Å; W57-T59 VanDerWaalsContact C-N 3.27Å; W57-T59 PolarHBondContact O-N 3.32Å; W57-R60 VanDerWaalsContact O-CB 3.25Å; W57-R60 WeakPolarHBondContact O-CB 3.38Å; W57-R60 WeakPolarHBondContact O-CG 3.49Å; W57-R60 PolarHBondContact O-N 2.83Å; W57-I79 HydrophobicContact CH2-CG1 4.27Å |
| 58 | I | 88.9 | Confident | 85.8 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 17% | 0.174 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.7 | -31.4 | -177.7 | -153.8 | 168.5 | 0 | 0 | 0 | 112.3 | A42 Q43 Q46 N54 D55 R60 I61 | A42-I58 HydrophobicContact CB-CG1 4.18Å; Q43-I58 HydrophobicContact CG-CD1 3.95Å; Q46-I58 HydrophobicContact CB-CD1 4.29Å; Q46-I58 VanDerWaalsContact OE1-CD1 3.27Å; N54-I58 PolarHBondContact O-N 3.38Å; D55-I58 WeakPolarHBondContact O-CG2 3.36Å; I58-R60 PolarHBondContact O-N 3.42Å; I58-I61 WeakPolarHBondContact O-CB 3.46Å; I58-I61 PolarHBondContact O-N 3.41Å |
| 59 | T | 87.6 | Confident | 85.7 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 70% | 0.699 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.9 | 174.2 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | D55 W57 I61 | D55-T59 WeakPolarHBondContact O-CB 3.49Å; D55-T59 PolarHBondContact O-N 3.31Å; D55-T59 VanDerWaalsContact O-N 3.11Å; D55-T59 PolarHBondContact O-OG1 3.08Å; W57-T59 VanDerWaalsContact C-N 3.27Å; W57-T59 PolarHBondContact O-N 3.32Å; T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 PolarHBondContact O-N 2.87Å |
| 60 | R | 88.3 | Confident | 85.7 | Confident | 161 Ų | 161 | 86.5 Ų | 86.5 | 61% | 0.608 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -17.3 | 175.5 | -57.1 | 176.8 | -176.5 | 176.7 | 0.4 | 112.5 | W57 I58 K78 | W57-R60 VanDerWaalsContact O-CB 3.25Å; W57-R60 WeakPolarHBondContact O-CB 3.38Å; W57-R60 WeakPolarHBondContact O-CG 3.49Å; W57-R60 PolarHBondContact O-N 2.83Å; I58-R60 PolarHBondContact O-N 3.42Å; R60-K78 HydrophobicContact CB-CD 4.42Å; R60-K78 PolarHBondContact O-NZ 3.33Å |
| 61 | I | 89.9 | Confident | 85.7 | Confident | 10 Ų | 10 | 82.3 Ų | 82.3 | 5% | 0.051 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -90.1 | 122.4 | 177.4 | -51.9 | -55.6 | 0 | 0 | 0 | 107.9 | V39 A42 I58 T59 P63 N75 K78 I79 | V39-I61 HydrophobicContact CG2-CG2 4.4Å; A42-I61 HydrophobicContact CB-CB 4.39Å; A42-I61 HydrophobicContact CB-CG1 3.87Å; A42-I61 HydrophobicContact CB-CG2 4.25Å; I58-I61 WeakPolarHBondContact O-CB 3.46Å; I58-I61 PolarHBondContact O-N 3.41Å; T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 PolarHBondContact O-N 2.87Å; I61-P63 WeakPolarHBondContact O-CD 3.27Å; I61-N75 HydrophobicContact CG2-CB 4.12Å; I61-K78 HydrophobicContact CD1-CB 3.77Å; I61-K78 HydrophobicContact CD1-CD 4.02Å; I61-I79 HydrophobicContact CD1-CD1 4.42Å; I61-I79 HydrophobicContact CD1-CG1 3.94Å |
| 62 | K | 87.5 | Confident | 85.8 | Confident | 123 Ų | 123 | 78.9 Ų | 78.9 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | trans | -88.5 | 120.1 | -176.2 | -75.8 | 177.3 | 165.1 | -172.2 | 0 | 110 | L71 N75 | K62-L71 HydrophobicContact CB-CD1 4.12Å; K62-L71 HydrophobicContact CB-CD2 4.34Å; K62-L71 HydrophobicContact CB-CG 4.49Å; K62-L71 HydrophobicContact CD-CD1 3.7Å; K62-L71 HydrophobicContact CD-CD2 4.45Å; K62-L71 HydrophobicContact CG-CD1 4.47Å; K62-N75 PolarHBondContact N-OD1 2.82Å; K62-N75 VanDerWaalsContact N-OD1 3.12Å; K62-N75 PolarHBondContact O-ND2 3.17Å | ||
| 63 | P | 77.7 | Confident | 85.9 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 66% | 0.656 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -74.6 | -27.3 | -177.1 | 27.8 | -33.5 | 0 | 0 | 0 | 113.6 | V39 I61 A65 | V39-P63 HydrophobicContact CG2-CB 4.49Å; I61-P63 WeakPolarHBondContact O-CD 3.27Å; P63-A65 PolarHBondContact O-N 2.9Å |
| 64 | E | 73.3 | Confident | 86 | Confident | 179 Ų | 179 | 78.9 Ų | 78.9 | 84% | 0.836 | 41% | 0.412 | S | S | * | . | trans | -81.9 | 53.8 | 179.2 | -60.2 | -167.6 | 175.6 | 0 | 0 | 112.6 | ||||
| 65 | A | 69.8 | Low | 86.2 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 3% | 0.025 | 40% | 0.395 | C | S | . | . | trans | -75.8 | -35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P63 D67 N68 L71 K72 | P63-A65 PolarHBondContact O-N 2.9Å; A65-D67 PolarHBondContact O-N 3.4Å; A65-N68 VanDerWaalsContact O-CB 3.31Å; A65-N68 WeakPolarHBondContact O-CB 3.48Å; A65-N68 PolarHBondContact O-N 2.68Å; A65-L71 HydrophobicContact CB-CG 4.46Å; A65-K72 HydrophobicContact CB-CG 4.09Å | ||
| 66 | G | 76.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | -130.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K72 | G66-K72 WeakPolarHBondContact O-CE 3.42Š|
| 67 | D | 77.9 | Confident | 86.6 | Confident | 151 Ų | 151 | 72.3 Ų | 72.3 | 81% | 0.807 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7 | 175.9 | -58.6 | -30.6 | 0 | 0 | 0 | 113.8 | A65 W69 | A65-D67 PolarHBondContact O-N 3.4Å; D67-W69 PolarHBondContact O-N 3.48Å |
| 68 | N | 88.8 | Confident | 86.7 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | trans | -77.9 | 85.4 | -179.3 | -171.2 | -12.5 | 0 | 0 | 0 | 110.9 | A65 R70 L71 K72 | A65-N68 VanDerWaalsContact O-CB 3.31Å; A65-N68 WeakPolarHBondContact O-CB 3.48Å; A65-N68 PolarHBondContact O-N 2.68Å; N68-R70 PolarHBondContact O-N 3.47Å; N68-R70 VanDerWaalsContact O-N 3.13Å; N68-R70 PolarHBondContact OD1-N 3.27Å; N68-L71 HydrophobicContact CB-CB 4.09Å; N68-L71 WeakPolarHBondContact O-CA 3.49Å; N68-L71 WeakPolarHBondContact O-CB 3.42Å; N68-L71 PolarHBondContact O-N 3.45Å; N68-L71 PolarHBondContact OD1-N 3.33Å; N68-K72 PolarHBondContact O-N 2.91Å; N68-K72 VanDerWaalsContact O-N 3.08Å | ||
| 69 | W | 88.4 | Confident | 86.9 | Confident | 88 Ų | 88 | 73 Ų | 73 | 33% | 0.333 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -53 | -34.8 | -178.8 | 71 | -97.5 | 0 | 0 | 0 | 113.5 | D67 L71 K72 V73 G107 E108 | D67-W69 PolarHBondContact O-N 3.48Å; W69-L71 VanDerWaalsContact C-N 3.28Å; W69-L71 PolarHBondContact O-N 3.47Å; W69-K72 WeakPolarHBondContact O-CB 3.28Å; W69-K72 PolarHBondContact O-N 3.47Å; W69-V73 HydrophobicContact CE3-CG2 4Å; W69-V73 HydrophobicContact CZ3-CG2 4.4Å; W69-V73 VanDerWaalsContact O-CG2 3.28Å; W69-V73 WeakPolarHBondContact O-CG2 3.3Å; W69-V73 PolarHBondContact O-N 2.96Å; W69-G107 WeakPolarHBondContact CB-O 3.46Å; W69-E108 HydrophobicContact CE3-CB 4.27Å |
| 70 | R | 88.9 | Confident | 87.2 | Confident | 169 Ų | 169 | 68.6 Ų | 68.6 | 64% | 0.638 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.7 | -35.9 | 176.8 | -69.1 | -171.1 | 171.3 | 96.4 | 1.1 | 112.3 | N68 S74 | N68-R70 PolarHBondContact O-N 3.47Å; N68-R70 VanDerWaalsContact O-N 3.13Å; N68-R70 PolarHBondContact OD1-N 3.27Å; R70-S74 WeakPolarHBondContact O-CB 3.25Å; R70-S74 PolarHBondContact O-N 3.25Å |
| 71 | L | 89.5 | Confident | 87.4 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.9 | -39.4 | 176.7 | -174.2 | 54.6 | 0 | 0 | 0 | 111 | K62 A65 N68 W69 S74 N75 | K62-L71 HydrophobicContact CB-CD1 4.12Å; K62-L71 HydrophobicContact CB-CD2 4.34Å; K62-L71 HydrophobicContact CB-CG 4.49Å; K62-L71 HydrophobicContact CD-CD1 3.7Å; K62-L71 HydrophobicContact CD-CD2 4.45Å; K62-L71 HydrophobicContact CG-CD1 4.47Å; A65-L71 HydrophobicContact CB-CG 4.46Å; N68-L71 HydrophobicContact CB-CB 4.09Å; N68-L71 WeakPolarHBondContact O-CA 3.49Å; N68-L71 WeakPolarHBondContact O-CB 3.42Å; N68-L71 PolarHBondContact O-N 3.45Å; N68-L71 PolarHBondContact OD1-N 3.33Å; W69-L71 VanDerWaalsContact C-N 3.28Å; W69-L71 PolarHBondContact O-N 3.47Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.25Å; L71-N75 PolarHBondContact O-N 2.91Å |
| 72 | K | 90.3 | Very high | 87.4 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.2 | -53 | 170.2 | -63.2 | -171.7 | -179.6 | -174.3 | 0 | 111.3 | T36 A65 G66 N68 W69 S74 N75 L76 | T36-K72 WeakPolarHBondContact O-CB 3.43Å; T36-K72 PolarHBondContact OG1-NZ 3.5Å; A65-K72 HydrophobicContact CB-CG 4.09Å; G66-K72 WeakPolarHBondContact O-CE 3.42Å; N68-K72 PolarHBondContact O-N 2.91Å; N68-K72 VanDerWaalsContact O-N 3.08Å; W69-K72 WeakPolarHBondContact O-CB 3.28Å; W69-K72 PolarHBondContact O-N 3.47Å; K72-S74 VanDerWaalsContact C-N 3.29Å; K72-S74 PolarHBondContact O-N 2.85Å; K72-N75 WeakPolarHBondContact O-CB 3.41Å; K72-N75 PolarHBondContact O-N 3.38Å; K72-N75 VanDerWaalsContact O-N 3.11Å; K72-L76 WeakPolarHBondContact O-CG 3.48Å; K72-L76 PolarHBondContact O-N 2.95Å |
| 73 | V | 92.1 | Very high | 87.6 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | W69 L76 K77 V103 N104 | W69-V73 HydrophobicContact CE3-CG2 4Å; W69-V73 HydrophobicContact CZ3-CG2 4.4Å; W69-V73 VanDerWaalsContact O-CG2 3.28Å; W69-V73 WeakPolarHBondContact O-CG2 3.3Å; W69-V73 PolarHBondContact O-N 2.96Å; V73-L76 PolarHBondContact O-N 2.81Å; V73-K77 HydrophobicContact CG1-CD 4.17Å; V73-K77 HydrophobicContact CG1-CG 4.45Å; V73-K77 WeakPolarHBondContact O-CB 3.25Å; V73-K77 WeakPolarHBondContact O-CG 3.44Å; V73-K77 PolarHBondContact O-N 3.18Å; V73-V103 HydrophobicContact CG1-CG2 4.39Å; V73-N104 WeakPolarHBondContact CG1-OD1 3.19Å |
| 74 | S | 92.7 | Very high | 88.2 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.3 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | R70 L71 K72 K78 | R70-S74 WeakPolarHBondContact O-CB 3.25Å; R70-S74 PolarHBondContact O-N 3.25Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.25Å; K72-S74 VanDerWaalsContact C-N 3.29Å; K72-S74 PolarHBondContact O-N 2.85Å; S74-K78 WeakPolarHBondContact O-CG 3.19Å; S74-K78 PolarHBondContact O-N 3.45Å |
| 75 | N | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 174.5 | -74.5 | -11.9 | 0 | 0 | 0 | 110.9 | S37 I61 K62 L71 K72 K77 K78 I79 | S37-N75 PolarHBondContact O-ND2 2.9Å; S37-N75 VanDerWaalsContact O-ND2 3.12Å; I61-N75 HydrophobicContact CG2-CB 4.12Å; K62-N75 PolarHBondContact N-OD1 2.82Å; K62-N75 VanDerWaalsContact N-OD1 3.12Å; K62-N75 PolarHBondContact O-ND2 3.17Å; L71-N75 PolarHBondContact O-N 2.91Å; K72-N75 WeakPolarHBondContact O-CB 3.41Å; K72-N75 PolarHBondContact O-N 3.38Å; K72-N75 VanDerWaalsContact O-N 3.11Å; N75-K77 VanDerWaalsContact C-N 3.31Å; N75-K77 PolarHBondContact O-N 3.27Å; N75-K78 WeakPolarHBondContact O-CB 3.36Å; N75-K78 PolarHBondContact O-N 3.28Å; N75-I79 WeakPolarHBondContact O-CD1 3.24Å; N75-I79 WeakPolarHBondContact O-CG1 3.46Å; N75-I79 PolarHBondContact O-N 2.82Å |
| 76 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 179.5 | -67.3 | 170.9 | 0 | 0 | 0 | 112.6 | M41 K72 V73 K78 I79 L80 V103 I106 M118 | M41-L76 HydrophobicContact CE-CD2 4.14Å; M41-L76 HydrophobicContact SD-CD2 3.88Å; K72-L76 WeakPolarHBondContact O-CG 3.48Å; K72-L76 PolarHBondContact O-N 2.95Å; V73-L76 PolarHBondContact O-N 2.81Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.28Å; L76-I79 PolarHBondContact O-N 2.93Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 3.25Å; L76-V103 HydrophobicContact CB-CB 3.87Å; L76-V103 HydrophobicContact CB-CG1 3.86Å; L76-I106 HydrophobicContact CD1-CB 3.85Å; L76-I106 HydrophobicContact CD1-CG2 3.57Å; L76-M118 HydrophobicContact CD2-CE 4.37Å |
| 77 | K | 93.3 | Very high | 90.5 | Very high | 108 Ų | 108 | 50 Ų | 50 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 173.2 | -78.8 | 179.5 | -179.2 | 175.3 | 0 | 112.9 | V73 N75 K81 V103 | V73-K77 HydrophobicContact CG1-CD 4.17Å; V73-K77 HydrophobicContact CG1-CG 4.45Å; V73-K77 WeakPolarHBondContact O-CB 3.25Å; V73-K77 WeakPolarHBondContact O-CG 3.44Å; V73-K77 PolarHBondContact O-N 3.18Å; N75-K77 VanDerWaalsContact C-N 3.31Å; N75-K77 PolarHBondContact O-N 3.27Å; K77-K81 VanDerWaalsContact O-CB 3.29Å; K77-K81 WeakPolarHBondContact O-CB 3.46Å; K77-K81 PolarHBondContact O-N 2.89Å; K77-V103 HydrophobicContact CD-CG2 4.35Å; K77-V103 HydrophobicContact CG-CG2 3.57Å |
| 78 | K | 92.7 | Very high | 90.9 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 33% | 0.326 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70 | -38.4 | 177.8 | -68.4 | 166.7 | -177.2 | 165.6 | 0 | 111.4 | R60 I61 S74 N75 L76 G82 | R60-K78 HydrophobicContact CB-CD 4.42Å; R60-K78 PolarHBondContact O-NZ 3.33Å; I61-K78 HydrophobicContact CD1-CB 3.77Å; I61-K78 HydrophobicContact CD1-CD 4.02Å; S74-K78 WeakPolarHBondContact O-CG 3.19Å; S74-K78 PolarHBondContact O-N 3.45Å; N75-K78 WeakPolarHBondContact O-CB 3.36Å; N75-K78 PolarHBondContact O-N 3.28Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.28Å; K78-G82 PolarHBondContact O-N 2.94Å |
| 79 | I | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -50.4 | 178 | -64.8 | 158.9 | 0 | 0 | 0 | 109.8 | G38 M41 A42 L45 W57 I61 N75 L76 K81 G82 I83 M118 | G38-I79 VanDerWaalsContact CA-CD1 3.43Å; G38-I79 WeakPolarHBondContact O-CD1 3.44Å; M41-I79 HydrophobicContact CB-CD1 4.28Å; M41-I79 HydrophobicContact CB-CG2 4.15Å; M41-I79 HydrophobicContact SD-CG2 4.46Å; A42-I79 HydrophobicContact CB-CD1 4.37Å; A42-I79 HydrophobicContact CB-CG1 4.37Å; L45-I79 HydrophobicContact CD1-CG2 3.66Å; W57-I79 HydrophobicContact CH2-CG1 4.27Å; I61-I79 HydrophobicContact CD1-CD1 4.42Å; I61-I79 HydrophobicContact CD1-CG1 3.94Å; N75-I79 WeakPolarHBondContact O-CD1 3.24Å; N75-I79 WeakPolarHBondContact O-CG1 3.46Å; N75-I79 PolarHBondContact O-N 2.82Å; L76-I79 PolarHBondContact O-N 2.93Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.45Å; I79-G82 PolarHBondContact O-N 3.17Å; I79-G82 VanDerWaalsContact O-N 3.07Å; I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 HydrophobicContact CG2-CG1 4.49Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 2.92Å; I79-M118 HydrophobicContact CB-CE 3.8Å; I79-M118 HydrophobicContact CG2-CE 3.49Å; I79-M118 VanDerWaalsContact CG2-CE 3.49Å |
| 80 | L | 92.8 | Very high | 90.7 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 179.2 | 179.1 | 59 | 0 | 0 | 0 | 110.8 | L76 G82 I83 L84 P101 V103 M118 L121 | L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 3.25Å; L80-G82 PolarHBondContact O-N 3.47Å; L80-I83 PolarHBondContact O-N 3.23Å; L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.26Å; L80-L84 HydrophobicContact CG-CD1 4.19Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.39Å; L80-P101 HydrophobicContact CD1-CG 3.8Å; L80-P101 HydrophobicContact CD2-CG 4.28Å; L80-V103 HydrophobicContact CB-CG1 4.32Å; L80-V103 HydrophobicContact CD2-CG1 3.93Å; L80-M118 HydrophobicContact CB-CE 3.89Å; L80-M118 HydrophobicContact CB-SD 4.16Å; L80-M118 HydrophobicContact CD1-SD 4.05Å; L80-L121 HydrophobicContact CD1-CD1 3.74Å |
| 81 | K | 92.3 | Very high | 90.4 | Very high | 132 Ų | 132 | 43.9 Ų | 43.9 | 57% | 0.574 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -58.7 | -47.3 | 174.3 | -178.7 | 174.3 | 178.7 | 178.3 | 0 | 111.8 | K77 I79 I83 L84 D85 | K77-K81 VanDerWaalsContact O-CB 3.29Å; K77-K81 WeakPolarHBondContact O-CB 3.46Å; K77-K81 PolarHBondContact O-N 2.89Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.45Å; K81-I83 VanDerWaalsContact C-N 3.29Å; K81-I83 PolarHBondContact O-N 3.4Å; K81-L84 PolarHBondContact O-N 3.33Å; K81-D85 WeakPolarHBondContact CE-OD2 3.47Å; K81-D85 WeakPolarHBondContact CG-OD2 3.26Å; K81-D85 WeakPolarHBondContact O-CB 3.39Å; K81-D85 PolarHBondContact O-N 2.7Å |
| 82 | G | 91.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K78 I79 L80 Y86 | K78-G82 PolarHBondContact O-N 2.94Å; I79-G82 PolarHBondContact O-N 3.17Å; I79-G82 VanDerWaalsContact O-N 3.07Å; L80-G82 PolarHBondContact O-N 3.47Å; G82-Y86 WeakPolarHBondContact O-CB 3.3Å; G82-Y86 PolarHBondContact O-N 2.88Å |
| 83 | I | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -50.9 | 174.5 | -66.3 | 163.9 | 0 | 0 | 0 | 110.6 | L45 I79 L80 K81 D85 Y86 Y87 M118 L121 I122 | L45-I83 HydrophobicContact CD1-CD1 4.06Å; L45-I83 HydrophobicContact CD1-CG1 3.74Å; L45-I83 HydrophobicContact CD2-CG1 3.97Å; I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 HydrophobicContact CG2-CG1 4.49Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 2.92Å; L80-I83 PolarHBondContact O-N 3.23Å; K81-I83 VanDerWaalsContact C-N 3.29Å; K81-I83 PolarHBondContact O-N 3.4Å; I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.37Å; I83-Y86 WeakPolarHBondContact O-CA 3.19Å; I83-Y86 WeakPolarHBondContact O-CB 3.2Å; I83-Y86 PolarHBondContact O-N 3.41Å; I83-Y87 HydrophobicContact CG2-CD2 3.67Å; I83-Y87 HydrophobicContact CG2-CE2 3.58Å; I83-Y87 WeakPolarHBondContact O-CD2 3.16Å; I83-Y87 PolarHBondContact O-N 3.18Å; I83-M118 HydrophobicContact CD1-CE 4.35Å; I83-M118 HydrophobicContact CD1-SD 4.39Å; I83-L121 HydrophobicContact CG2-CB 3.96Å; I83-I122 HydrophobicContact CD1-CD1 4.29Å; I83-I122 HydrophobicContact CD1-CG1 3.57Å; I83-I122 HydrophobicContact CG1-CG1 4.44Å |
| 84 | L | 89.8 | Confident | 88.1 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | -179.5 | -67 | 175.6 | 0 | 0 | 0 | 112.2 | L80 K81 Y86 Y87 Q88 I95 L100 | L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.26Å; L80-L84 HydrophobicContact CG-CD1 4.19Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.39Å; K81-L84 PolarHBondContact O-N 3.33Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 2.89Å; L84-Y87 PolarHBondContact O-N 2.91Å; L84-Q88 PolarHBondContact O-N 3.45Å; L84-Q88 VanDerWaalsContact O-N 3.1Å; L84-I95 HydrophobicContact CD2-CD1 3.91Å; L84-L100 HydrophobicContact CD1-CD2 4.31Å; L84-L100 HydrophobicContact CD2-CD2 3.8Å |
| 85 | D | 91.2 | Very high | 87 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 174.8 | -64.4 | -15.1 | 0 | 0 | 0 | 110 | Y52 K81 I83 Q88 E89 | Y52-D85 WeakPolarHBondContact OH-CB 3.28Å; K81-D85 WeakPolarHBondContact CE-OD2 3.47Å; K81-D85 WeakPolarHBondContact CG-OD2 3.26Å; K81-D85 WeakPolarHBondContact O-CB 3.39Å; K81-D85 PolarHBondContact O-N 2.7Å; I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.37Å; D85-Q88 PolarHBondContact O-N 3.46Å; D85-E89 VanDerWaalsContact O-CB 3.27Å; D85-E89 WeakPolarHBondContact O-CB 3.41Å; D85-E89 WeakPolarHBondContact O-CG 3.37Å; D85-E89 PolarHBondContact O-N 3.46Å |
| 86 | Y | 90.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.4 | -173.1 | -103.5 | 0 | 0 | 0 | 113.2 | D49 Y52 F53 G82 I83 L84 Q88 V90 L91 C125 | D49-Y86 HydrophobicContact CB-CE2 4.09Å; D49-Y86 VanDerWaalsContact OD2-CE2 3.25Å; D49-Y86 WeakPolarHBondContact OD2-CE2 3.28Å; D49-Y86 PolarHBondContact OD2-OH 2.84Å; Y52-Y86 AromaticContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CD2 3.46Å; Y52-Y86 VanDerWaalsContact CD1-CD2 3.46Å; Y52-Y86 HydrophobicContact CD1-CE2 4.25Å; Y52-Y86 HydrophobicContact CD1-CG 4.25Å; Y52-Y86 HydrophobicContact CD2-CD2 4.08Å; Y52-Y86 AromaticContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CD2 3.88Å; Y52-Y86 HydrophobicContact CE1-CG 4.34Å; Y52-Y86 HydrophobicContact CE2-CD2 4.46Å; Y52-Y86 AromaticContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CD2 3.56Å; Y52-Y86 HydrophobicContact CG-CE2 4.03Å; Y52-Y86 PolarHBondContact OH-N 3.26Å; F53-Y86 AromaticContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CD2 3.99Å; F53-Y86 HydrophobicContact CE2-CE2 4.41Å; F53-Y86 HydrophobicContact CE2-CG 4.04Å; F53-Y86 HydrophobicContact CZ-CD2 4.39Å; F53-Y86 HydrophobicContact CZ-CG 4.19Å; G82-Y86 WeakPolarHBondContact O-CB 3.3Å; G82-Y86 PolarHBondContact O-N 2.88Å; I83-Y86 WeakPolarHBondContact O-CA 3.19Å; I83-Y86 WeakPolarHBondContact O-CB 3.2Å; I83-Y86 PolarHBondContact O-N 3.41Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 2.89Å; Y86-Q88 VanDerWaalsContact C-N 3.28Å; Y86-Q88 PolarHBondContact O-N 3.46Å; Y86-V90 HydrophobicContact CD2-CB 3.71Å; Y86-V90 HydrophobicContact CD2-CG1 4.24Å; Y86-V90 HydrophobicContact CD2-CG2 3.5Å; Y86-V90 HydrophobicContact CE2-CB 3.64Å; Y86-V90 HydrophobicContact CE2-CG1 3.62Å; Y86-V90 HydrophobicContact CE2-CG2 3.64Å; Y86-V90 HydrophobicContact CG-CB 4.28Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CA 3.42Å; Y86-V90 WeakPolarHBondContact O-CB 3.38Å; Y86-V90 PolarHBondContact O-N 3.11Å; Y86-L91 HydrophobicContact CD1-CD1 3.98Å; Y86-L91 HydrophobicContact CD1-CG 3.98Å; Y86-L91 HydrophobicContact CE1-CD1 3.95Å; Y86-L91 HydrophobicContact CE1-CD2 3.84Å; Y86-L91 HydrophobicContact CE1-CG 3.8Å; Y86-L91 PolarHBondContact O-N 2.84Å; Y86-C125 HydrophobicContact CD1-CB 4.16Å; Y86-C125 HydrophobicContact CE1-CB 4.14Å |
| 87 | Y | 87 | Confident | 83.9 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 175.3 | -90.2 | -88.2 | 0 | 0 | 0 | 112.2 | I83 L84 L91 G92 Q93 I95 L121 G124 C125 | I83-Y87 HydrophobicContact CG2-CD2 3.67Å; I83-Y87 HydrophobicContact CG2-CE2 3.58Å; I83-Y87 WeakPolarHBondContact O-CD2 3.16Å; I83-Y87 PolarHBondContact O-N 3.18Å; L84-Y87 PolarHBondContact O-N 2.91Å; Y87-L91 HydrophobicContact CD1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CD1 3.88Å; Y87-L91 HydrophobicContact CG-CD1 4.08Å; Y87-L91 CarbonylContact O-C 3.56Å; Y87-L91 WeakPolarHBondContact O-CB 3.47Å; Y87-G92 PolarHBondContact O-N 2.9Å; Y87-Q93 CarbonylContact C-O 3.59Å; Y87-Q93 PolarHBondContact O-N 3.44Å; Y87-I95 HydrophobicContact CD1-CD1 3.99Å; Y87-I95 HydrophobicContact CD1-CG1 3.83Å; Y87-I95 HydrophobicContact CD2-CD1 3.82Å; Y87-I95 HydrophobicContact CE1-CD1 4.23Å; Y87-I95 HydrophobicContact CE1-CG1 4.22Å; Y87-I95 HydrophobicContact CE2-CD1 4.07Å; Y87-I95 HydrophobicContact CG-CD1 3.77Å; Y87-I95 HydrophobicContact CG-CG1 4Å; Y87-L121 WeakPolarHBondContact CE2-O 3.31Å; Y87-L121 PolarHBondContact OH-O 2.73Å; Y87-G124 WeakPolarHBondContact OH-CA 3.37Å; Y87-C125 WeakPolarHBondContact CE2-SG 3.04Å; Y87-C125 PolarHBondContact OH-N 3.02Å |
| 88 | Q | 85.9 | Confident | 83.1 | Confident | 119 Ų | 119 | 64.3 Ų | 64.3 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -79.2 | -47.6 | -178 | -172.7 | 172.1 | 5.3 | 0 | 0 | 112.8 | L84 D85 Y86 | L84-Q88 PolarHBondContact O-N 3.45Å; L84-Q88 VanDerWaalsContact O-N 3.1Å; D85-Q88 PolarHBondContact O-N 3.46Å; Y86-Q88 VanDerWaalsContact C-N 3.28Å; Y86-Q88 PolarHBondContact O-N 3.46Å |
| 89 | E | 87.3 | Confident | 82.3 | Confident | 142 Ų | 142 | 64.8 Ų | 64.8 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -85.7 | -36.2 | -171.3 | -64.2 | -173 | 175.9 | 0 | 0 | 113.1 | D85 | D85-E89 VanDerWaalsContact O-CB 3.27Å; D85-E89 WeakPolarHBondContact O-CB 3.41Å; D85-E89 WeakPolarHBondContact O-CG 3.37Å; D85-E89 PolarHBondContact O-N 3.46Å |
| 90 | V | 86.8 | Confident | 81.9 | Confident | 71 Ų | 71 | 69 Ų | 69 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -49.8 | -175.5 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | Y52 Y86 | Y52-V90 HydrophobicContact CD2-CG2 3.7Å; Y52-V90 HydrophobicContact CE2-CG2 3.96Å; Y52-V90 HydrophobicContact CG-CG2 4.34Å; Y86-V90 HydrophobicContact CD2-CB 3.71Å; Y86-V90 HydrophobicContact CD2-CG1 4.24Å; Y86-V90 HydrophobicContact CD2-CG2 3.5Å; Y86-V90 HydrophobicContact CE2-CB 3.64Å; Y86-V90 HydrophobicContact CE2-CG1 3.62Å; Y86-V90 HydrophobicContact CE2-CG2 3.64Å; Y86-V90 HydrophobicContact CG-CB 4.28Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CA 3.42Å; Y86-V90 WeakPolarHBondContact O-CB 3.38Å; Y86-V90 PolarHBondContact O-N 3.11Å |
| 91 | L | 82.6 | Confident | 81.7 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -81.4 | -19.5 | -176.3 | -55.7 | -178.7 | 0 | 0 | 0 | 113.2 | Y86 Y87 Q93 N128 | Y86-L91 HydrophobicContact CD1-CD1 3.98Å; Y86-L91 HydrophobicContact CD1-CG 3.98Å; Y86-L91 HydrophobicContact CE1-CD1 3.95Å; Y86-L91 HydrophobicContact CE1-CD2 3.84Å; Y86-L91 HydrophobicContact CE1-CG 3.8Å; Y86-L91 PolarHBondContact O-N 2.84Å; Y87-L91 HydrophobicContact CD1-CD1 3.73Å; Y87-L91 HydrophobicContact CE1-CD1 3.88Å; Y87-L91 HydrophobicContact CG-CD1 4.08Å; Y87-L91 CarbonylContact O-C 3.56Å; Y87-L91 WeakPolarHBondContact O-CB 3.47Å; L91-Q93 PolarHBondContact O-N 3.5Å; L91-N128 HydrophobicContact CD1-CB 3.73Å; L91-N128 HydrophobicContact CD2-CB 3.77Å; L91-N128 VanDerWaalsContact CD2-O 3.3Å; L91-N128 WeakPolarHBondContact CD2-O 3.42Å; L91-N128 HydrophobicContact CG-CB 4.33Å |
| 92 | G | 78.4 | Confident | 81.5 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | trans | 60.8 | 23.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y87 | Y87-G92 PolarHBondContact O-N 2.9Š| ||
| 93 | Q | 76.6 | Confident | 81.5 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | trans | -110 | 126.2 | -179.2 | -68 | -177.3 | 21 | 0 | 0 | 109.4 | Y87 L91 | Y87-Q93 CarbonylContact C-O 3.59Å; Y87-Q93 PolarHBondContact O-N 3.44Å; L91-Q93 PolarHBondContact O-N 3.5Å | ||
| 94 | H | 68.4 | Low | 81.5 | Confident | 132 Ų | 132 | 68.3 Ų | 68.3 | 61% | 0.611 | 37% | 0.368 | S | S | * | . | trans | -83.3 | 122.7 | 165.9 | -72.4 | -71.6 | 0 | 0 | 0 | 108.5 | N96 | H94-N96 PolarHBondContact O-N 3.48Š| ||
| 95 | I | 68.8 | Low | 81.4 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | trans | -71.4 | 83.3 | 168.9 | -52.5 | 177.6 | 0 | 0 | 0 | 107.1 | L84 Y87 F98 L121 | L84-I95 HydrophobicContact CD2-CD1 3.91Å; Y87-I95 HydrophobicContact CD1-CD1 3.99Å; Y87-I95 HydrophobicContact CD1-CG1 3.83Å; Y87-I95 HydrophobicContact CD2-CD1 3.82Å; Y87-I95 HydrophobicContact CE1-CD1 4.23Å; Y87-I95 HydrophobicContact CE1-CG1 4.22Å; Y87-I95 HydrophobicContact CE2-CD1 4.07Å; Y87-I95 HydrophobicContact CG-CD1 3.77Å; Y87-I95 HydrophobicContact CG-CG1 4Å; I95-F98 HydrophobicContact CG2-CB 3.18Å; I95-F98 HydrophobicContact CG2-CD1 4.24Å; I95-F98 HydrophobicContact CG2-CG 3.97Å; I95-L121 HydrophobicContact CD1-CD2 3.7Å | ||
| 96 | N | 58.9 | Low | 81.3 | Confident | 126 Ų | 126 | 66.4 Ų | 66.4 | 67% | 0.674 | 36% | 0.357 | S | S | * | . | trans | -89.8 | 135.6 | 173 | -69.3 | -18.4 | 0 | 0 | 0 | 108.1 | H94 F98 | H94-N96 PolarHBondContact O-N 3.48Å; N96-F98 VanDerWaalsContact C-N 3.34Å; N96-F98 PolarHBondContact O-N 3.16Å | ||
| 97 | D | 63 | Low | 81.2 | Confident | 174 Ų | 174 | 66.7 Ų | 66.7 | 93% | 0.93 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 71.8 | 4.5 | 178 | -51.7 | -33 | 0 | 0 | 0 | 118 | ||
| 98 | F | 74.8 | Confident | 81.2 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | trans | -86.3 | 138.7 | 168.6 | -167.5 | -103.8 | 0 | 0 | 0 | 112.2 | I95 N96 L100 R117 Q120 L121 L157 | I95-F98 HydrophobicContact CG2-CB 3.18Å; I95-F98 HydrophobicContact CG2-CD1 4.24Å; I95-F98 HydrophobicContact CG2-CG 3.97Å; N96-F98 VanDerWaalsContact C-N 3.34Å; N96-F98 PolarHBondContact O-N 3.16Å; F98-L100 PolarHBondContact O-N 3.42Å; F98-R117 HydrophobicContact CZ-CB 4.4Å; F98-Q120 HydrophobicContact CE2-CG 4.24Å; F98-Q120 HydrophobicContact CZ-CB 4.46Å; F98-Q120 HydrophobicContact CZ-CG 4.17Å; F98-L121 HydrophobicContact CD1-CD2 3.84Å; F98-L121 HydrophobicContact CD1-CG 4.46Å; F98-L121 HydrophobicContact CE1-CD1 4.25Å; F98-L121 HydrophobicContact CE1-CD2 3.61Å; F98-L121 HydrophobicContact CE1-CG 3.79Å; F98-L121 HydrophobicContact CZ-CD2 4.31Å; F98-L121 HydrophobicContact CZ-CG 4.43Å; F98-L157 HydrophobicContact CD2-CD2 4.35Å | ||
| 99 | T | 77.4 | Confident | 81.2 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | trans | -82.3 | 116 | 175.1 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 100 | L | 84.1 | Confident | 81.2 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | trans | -63.4 | 141.7 | 179.4 | -63.7 | 176.7 | 0 | 0 | 0 | 112.2 | L84 F98 | L84-L100 HydrophobicContact CD1-CD2 4.31Å; L84-L100 HydrophobicContact CD2-CD2 3.8Å; F98-L100 PolarHBondContact O-N 3.42Å | ||
| 101 | P | 88.6 | Confident | 81.2 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | trans | -70.2 | 135.3 | -179 | 27.5 | -34.2 | 0 | 0 | 0 | 112.5 | L80 V103 I106 E114 R117 M118 L121 | L80-P101 HydrophobicContact CD1-CG 3.8Å; L80-P101 HydrophobicContact CD2-CG 4.28Å; P101-V103 PolarHBondContact O-N 3.4Å; P101-I106 HydrophobicContact CB-CD1 4.5Å; P101-E114 VanDerWaalsContact CA-OE2 3.31Å; P101-E114 WeakPolarHBondContact CA-OE2 3.42Å; P101-R117 HydrophobicContact CB-CB 3.98Å; P101-M118 HydrophobicContact CB-CB 4.13Å; P101-M118 HydrophobicContact CG-CB 4.16Å; P101-M118 HydrophobicContact CG-SD 3.76Å; P101-L121 HydrophobicContact CG-CD1 4Å | ||
| 102 | D | 88.6 | Confident | 81.4 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | trans | -81.6 | 96.8 | 173.8 | -166.5 | -17.6 | 0 | 0 | 0 | 111.5 | N104 L105 I106 E114 | D102-N104 PolarHBondContact O-N 3.17Å; D102-N104 VanDerWaalsContact O-N 3.14Å; D102-N104 WeakPolarHBondContact OD1-CB 3.3Å; D102-N104 PolarHBondContact OD1-N 3.04Å; D102-N104 PolarHBondContact OD1-ND2 2.72Å; D102-L105 HydrophobicContact CB-CB 4.41Å; D102-L105 HydrophobicContact CB-CD1 4.03Å; D102-L105 HydrophobicContact CB-CG 4.15Å; D102-L105 PolarHBondContact O-N 3.25Å; D102-L105 VanDerWaalsContact O-N 3.17Å; D102-I106 PolarHBondContact O-N 2.85Å; D102-E114 HydrophobicContact CB-CG 4.46Å; D102-E114 PolarHBondContact N-OE2 3.26Å | ||
| 103 | V | 91.4 | Very high | 81.8 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -20 | 178.2 | -62.4 | 0 | 0 | 0 | 0 | 114.7 | V73 L76 K77 L80 P101 G107 | V73-V103 HydrophobicContact CG1-CG2 4.39Å; L76-V103 HydrophobicContact CB-CB 3.87Å; L76-V103 HydrophobicContact CB-CG1 3.86Å; K77-V103 HydrophobicContact CD-CG2 4.35Å; K77-V103 HydrophobicContact CG-CG2 3.57Å; L80-V103 HydrophobicContact CB-CG1 4.32Å; L80-V103 HydrophobicContact CD2-CG1 3.93Å; P101-V103 PolarHBondContact O-N 3.4Å; V103-G107 PolarHBondContact O-N 3.22Å |
| 104 | N | 90.8 | Very high | 82.4 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.7 | -42 | 176.1 | -50.9 | -71.5 | 0 | 0 | 0 | 110.7 | V73 D102 I106 G107 E108 | V73-N104 WeakPolarHBondContact CG1-OD1 3.19Å; D102-N104 PolarHBondContact O-N 3.17Å; D102-N104 VanDerWaalsContact O-N 3.14Å; D102-N104 WeakPolarHBondContact OD1-CB 3.3Å; D102-N104 PolarHBondContact OD1-N 3.04Å; D102-N104 PolarHBondContact OD1-ND2 2.72Å; N104-I106 VanDerWaalsContact C-N 3.32Å; N104-I106 PolarHBondContact O-N 3.18Å; N104-G107 PolarHBondContact O-N 2.82Å; N104-E108 WeakPolarHBondContact O-CB 3.36Å; N104-E108 PolarHBondContact O-N 3.48Å |
| 105 | L | 88.8 | Confident | 83.4 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 176.6 | -65.7 | 178.9 | 0 | 0 | 0 | 111.7 | D102 H109 A110 D111 E114 | D102-L105 HydrophobicContact CB-CB 4.41Å; D102-L105 HydrophobicContact CB-CD1 4.03Å; D102-L105 HydrophobicContact CB-CG 4.15Å; D102-L105 PolarHBondContact O-N 3.25Å; D102-L105 VanDerWaalsContact O-N 3.17Å; L105-H109 CarbonylContact O-C 3.59Å; L105-H109 WeakPolarHBondContact O-CA 3.41Å; L105-H109 WeakPolarHBondContact O-CB 3.37Å; L105-H109 PolarHBondContact O-N 3.42Å; L105-A110 PolarHBondContact O-N 2.77Å; L105-D111 HydrophobicContact CB-CB 4.19Å; L105-D111 PolarHBondContact O-N 2.84Å; L105-E114 HydrophobicContact CB-CG 4.29Å; L105-E114 HydrophobicContact CD1-CG 4.1Å |
| 106 | I | 89 | Confident | 84.4 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.6 | -57.1 | 171.3 | 0 | 0 | 0 | 111.1 | T36 L76 P101 D102 N104 A110 E114 L115 M118 | T36-I106 HydrophobicContact CG2-CG2 4.29Å; L76-I106 HydrophobicContact CD1-CB 3.85Å; L76-I106 HydrophobicContact CD1-CG2 3.57Å; P101-I106 HydrophobicContact CB-CD1 4.5Å; D102-I106 PolarHBondContact O-N 2.85Å; N104-I106 VanDerWaalsContact C-N 3.32Å; N104-I106 PolarHBondContact O-N 3.18Å; I106-A110 VanDerWaalsContact O-CA 3.3Å; I106-A110 WeakPolarHBondContact O-CA 3.31Å; I106-A110 PolarHBondContact O-N 2.92Å; I106-E114 HydrophobicContact CD1-CB 4.09Å; I106-E114 WeakPolarHBondContact CD1-O 3.41Å; I106-E114 HydrophobicContact CG1-CB 3.64Å; I106-L115 HydrophobicContact CG2-CD1 3.99Å; I106-M118 HydrophobicContact CD1-CB 4.14Å |
| 107 | G | 86.9 | Confident | 85.8 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.1 | -37 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W69 V103 N104 | W69-G107 WeakPolarHBondContact CB-O 3.46Å; V103-G107 PolarHBondContact O-N 3.22Å; N104-G107 PolarHBondContact O-N 2.82Å |
| 108 | E | 88.1 | Confident | 87.1 | Confident | 104 Ų | 104 | 39.5 Ų | 39.5 | 49% | 0.486 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -92 | -35.4 | -174.8 | -170.6 | 169.9 | -177.2 | 0 | 0 | 113.3 | W69 N104 | W69-E108 HydrophobicContact CE3-CB 4.27Å; N104-E108 WeakPolarHBondContact O-CB 3.36Å; N104-E108 PolarHBondContact O-N 3.48Å |
| 109 | H | 86.2 | Confident | 87.9 | Confident | 125 Ų | 125 | 38 Ų | 38 | 58% | 0.579 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -119.8 | -0.6 | -174.1 | -60.3 | -51.6 | 0 | 0 | 0 | 114.3 | L105 D111 | L105-H109 CarbonylContact O-C 3.59Å; L105-H109 WeakPolarHBondContact O-CA 3.41Å; L105-H109 WeakPolarHBondContact O-CB 3.37Å; L105-H109 PolarHBondContact O-N 3.42Å; H109-D111 PolarHBondContact O-N 3.48Å |
| 110 | A | 85.9 | Confident | 88.5 | Confident | 35 Ų | 35 | 34 Ų | 34 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | trans | 51.4 | 38.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T36 L105 I106 A112 | T36-A110 HydrophobicContact CG2-CB 3.82Å; L105-A110 PolarHBondContact O-N 2.77Å; I106-A110 VanDerWaalsContact O-CA 3.3Å; I106-A110 WeakPolarHBondContact O-CA 3.31Å; I106-A110 PolarHBondContact O-N 2.92Å; A110-A112 PolarHBondContact O-N 2.91Å; A110-A112 VanDerWaalsContact O-N 3.16Å | ||
| 111 | D | 88.3 | Confident | 88.7 | Confident | 58 Ų | 58 | 29.8 Ų | 29.8 | 31% | 0.31 | 16% | 0.161 | S | C | . | . | trans | -62.3 | 115.4 | -177 | -171.7 | -16.1 | 0 | 0 | 0 | 111.5 | L105 H109 A113 L115 | L105-D111 HydrophobicContact CB-CB 4.19Å; L105-D111 PolarHBondContact O-N 2.84Å; H109-D111 PolarHBondContact O-N 3.48Å; D111-A113 VanDerWaalsContact C-N 3.32Å; D111-A113 PolarHBondContact O-N 3.45Å; D111-A113 WeakPolarHBondContact OD1-CB 3.26Å; D111-A113 PolarHBondContact OD1-N 2.93Å; D111-L115 WeakPolarHBondContact O-CB 3.49Å; D111-L115 PolarHBondContact O-N 3.33Å | ||
| 112 | A | 86.6 | Confident | 88.9 | Confident | 18 Ų | 18 | 29.5 Ų | 29.5 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.7 | -31.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C13 V32 A110 L115 G116 | C13-A112 HydrophobicContact CB-CB 4.26Å; C13-A112 WeakPolarHBondContact CB-O 3.36Å; C13-A112 PolarHBondContact SG-O 3.35Å; V32-A112 HydrophobicContact CG1-CB 4.33Å; A110-A112 PolarHBondContact O-N 2.91Å; A110-A112 VanDerWaalsContact O-N 3.16Å; A112-L115 PolarHBondContact O-N 3Å; A112-G116 PolarHBondContact O-N 3.33Å |
| 113 | A | 86.6 | Confident | 89 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 17% | 0.174 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.1 | -44.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R9 D111 L115 G116 R117 | R9-A113 HydrophobicContact CB-CB 3.97Å; D111-A113 VanDerWaalsContact C-N 3.32Å; D111-A113 PolarHBondContact O-N 3.45Å; D111-A113 WeakPolarHBondContact OD1-CB 3.26Å; D111-A113 PolarHBondContact OD1-N 2.93Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-G116 PolarHBondContact O-N 2.84Å; A113-R117 PolarHBondContact O-N 2.89Å |
| 114 | E | 89 | Confident | 88.9 | Confident | 21 Ų | 21 | 26 Ų | 26 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.2 | -32.8 | 176.2 | -63.9 | -58.3 | 141.2 | 0 | 0 | 111.4 | P101 D102 L105 I106 R117 M118 | P101-E114 VanDerWaalsContact CA-OE2 3.31Å; P101-E114 WeakPolarHBondContact CA-OE2 3.42Å; D102-E114 HydrophobicContact CB-CG 4.46Å; D102-E114 PolarHBondContact N-OE2 3.26Å; L105-E114 HydrophobicContact CB-CG 4.29Å; L105-E114 HydrophobicContact CD1-CG 4.1Å; I106-E114 HydrophobicContact CD1-CB 4.09Å; I106-E114 WeakPolarHBondContact CD1-O 3.41Å; I106-E114 HydrophobicContact CG1-CB 3.64Å; E114-R117 PolarHBondContact O-N 2.81Å; E114-R117 IonicContact OE1-CZ 3.92Å; E114-R117 IonicContact OE1-NH1 3.28Å; E114-R117 PolarHBondContact OE1-NH1 3.37Å; E114-R117 IonicContact OE2-NH1 3.86Å; E114-R117 PolarHBondContact OE2-NH1 2.91Å; E114-M118 PolarHBondContact O-N 3.41Å; E114-M118 VanDerWaalsContact O-N 3.09Å |
| 115 | L | 90 | Very high | 88.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 170.8 | -174.7 | 66.4 | 0 | 0 | 0 | 111.7 | V32 L35 M41 I106 D111 A112 A113 R117 M118 L119 | V32-L115 HydrophobicContact CB-CD2 4.16Å; V32-L115 HydrophobicContact CG1-CD2 3.52Å; L35-L115 HydrophobicContact CB-CD1 4.17Å; L35-L115 HydrophobicContact CB-CD2 4.05Å; L35-L115 HydrophobicContact CD2-CD2 4.36Å; M41-L115 HydrophobicContact CE-CD1 3.09Å; M41-L115 HydrophobicContact CE-CG 4.42Å; I106-L115 HydrophobicContact CG2-CD1 3.99Å; D111-L115 WeakPolarHBondContact O-CB 3.49Å; D111-L115 PolarHBondContact O-N 3.33Å; A112-L115 PolarHBondContact O-N 3Å; A113-L115 VanDerWaalsContact C-N 3.34Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.49Å; L115-M118 WeakPolarHBondContact O-CB 3.43Å; L115-M118 PolarHBondContact O-N 2.73Å; L115-M118 VanDerWaalsContact O-N 3.12Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.46Å |
| 116 | G | 88.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.7 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L16 A112 A113 M118 L119 Q120 | L16-G116 WeakPolarHBondContact CD1-O 3.39Å; A112-G116 PolarHBondContact O-N 3.33Å; A113-G116 PolarHBondContact O-N 2.84Å; G116-M118 PolarHBondContact O-N 3.38Å; G116-L119 PolarHBondContact O-N 2.84Å; G116-Q120 WeakPolarHBondContact O-CB 3.34Å; G116-Q120 PolarHBondContact O-N 3.3Å |
| 117 | R | 88.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 20.7 Ų | 20.7 | 12% | 0.117 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 174.5 | -72.1 | 178.7 | 176.4 | 168.5 | -2.1 | 113.1 | R9 F98 P101 A113 E114 L115 L119 Q120 L121 | R9-R117 VanDerWaalsContact CZ-NH2 3.34Å; F98-R117 HydrophobicContact CZ-CB 4.4Å; P101-R117 HydrophobicContact CB-CB 3.98Å; A113-R117 PolarHBondContact O-N 2.89Å; E114-R117 PolarHBondContact O-N 2.81Å; E114-R117 IonicContact OE1-CZ 3.92Å; E114-R117 IonicContact OE1-NH1 3.28Å; E114-R117 PolarHBondContact OE1-NH1 3.37Å; E114-R117 IonicContact OE2-NH1 3.86Å; E114-R117 PolarHBondContact OE2-NH1 2.91Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.49Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-Q120 WeakPolarHBondContact O-CB 3.43Å; R117-Q120 PolarHBondContact O-N 2.89Å; R117-L121 PolarHBondContact O-N 3.04Å; R117-L121 VanDerWaalsContact O-N 3.14Å |
| 118 | M | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 175.6 | -171.8 | 68 | 161.9 | 0 | 0 | 111.3 | M41 L76 I79 L80 I83 P101 I106 E114 L115 G116 L121 I122 | M41-M118 HydrophobicContact CE-CB 4.39Å; M41-M118 HydrophobicContact CE-CG 3.86Å; M41-M118 HydrophobicContact SD-CE 4.03Å; M41-M118 HydrophobicContact SD-CG 3.63Å; L76-M118 HydrophobicContact CD2-CE 4.37Å; I79-M118 HydrophobicContact CB-CE 3.8Å; I79-M118 HydrophobicContact CG2-CE 3.49Å; I79-M118 VanDerWaalsContact CG2-CE 3.49Å; L80-M118 HydrophobicContact CB-CE 3.89Å; L80-M118 HydrophobicContact CB-SD 4.16Å; L80-M118 HydrophobicContact CD1-SD 4.05Å; I83-M118 HydrophobicContact CD1-CE 4.35Å; I83-M118 HydrophobicContact CD1-SD 4.39Å; P101-M118 HydrophobicContact CB-CB 4.13Å; P101-M118 HydrophobicContact CG-CB 4.16Å; P101-M118 HydrophobicContact CG-SD 3.76Å; I106-M118 HydrophobicContact CD1-CB 4.14Å; E114-M118 PolarHBondContact O-N 3.41Å; E114-M118 VanDerWaalsContact O-N 3.09Å; L115-M118 WeakPolarHBondContact O-CB 3.43Å; L115-M118 PolarHBondContact O-N 2.73Å; L115-M118 VanDerWaalsContact O-N 3.12Å; G116-M118 PolarHBondContact O-N 3.38Å; M118-L121 PolarHBondContact O-N 3.4Å; M118-I122 WeakPolarHBondContact O-CG1 3.43Å; M118-I122 PolarHBondContact O-N 3.06Å |
| 119 | L | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68 | -35.4 | 175 | -66.5 | -176.4 | 0 | 0 | 0 | 112.7 | L16 I20 L35 M41 L115 G116 R117 L121 I122 L123 | L16-L119 HydrophobicContact CB-CB 3.9Å; L16-L119 HydrophobicContact CB-CD1 3.94Å; L16-L119 HydrophobicContact CD1-CB 3.85Å; L16-L119 HydrophobicContact CG-CB 4.49Å; I20-L119 HydrophobicContact CD1-CD2 3.99Å; I20-L119 HydrophobicContact CG1-CD1 4.32Å; I20-L119 HydrophobicContact CG1-CD2 3.81Å; L35-L119 HydrophobicContact CD2-CD1 3.84Å; L35-L119 HydrophobicContact CD2-CD2 3.99Å; L35-L119 HydrophobicContact CD2-CG 4.4Å; M41-L119 HydrophobicContact CE-CD2 4.21Å; M41-L119 HydrophobicContact CG-CD2 4.3Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.46Å; G116-L119 PolarHBondContact O-N 2.84Å; R117-L119 VanDerWaalsContact C-N 3.33Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.39Å; L119-I122 HydrophobicContact CD2-CD1 4.2Å; L119-I122 WeakPolarHBondContact O-CB 3.26Å; L119-I122 PolarHBondContact O-N 3.23Å; L119-I122 VanDerWaalsContact O-N 3.16Å; L119-L123 PolarHBondContact O-N 3.49Å |
| 120 | Q | 89.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 176.1 | 179.8 | 172.9 | 19.4 | 0 | 0 | 111.2 | L16 F98 G116 R117 I122 L123 G124 A153 E156 L157 | L16-Q120 HydrophobicContact CD1-CB 4.01Å; F98-Q120 HydrophobicContact CE2-CG 4.24Å; F98-Q120 HydrophobicContact CZ-CB 4.46Å; F98-Q120 HydrophobicContact CZ-CG 4.17Å; G116-Q120 WeakPolarHBondContact O-CB 3.34Å; G116-Q120 PolarHBondContact O-N 3.3Å; R117-Q120 WeakPolarHBondContact O-CB 3.43Å; R117-Q120 PolarHBondContact O-N 2.89Å; Q120-I122 PolarHBondContact O-N 3.16Å; Q120-L123 WeakPolarHBondContact O-CB 3.48Å; Q120-L123 PolarHBondContact O-N 2.95Å; Q120-G124 PolarHBondContact O-N 3.24Å; Q120-A153 HydrophobicContact CG-CB 4.1Å; Q120-A153 PolarHBondContact NE2-O 3.41Å; Q120-E156 PolarHBondContact NE2-OE2 3.36Å; Q120-L157 HydrophobicContact CG-CD1 3.66Å; Q120-L157 HydrophobicContact CG-CG 4.27Å; Q120-L157 WeakPolarHBondContact O-CD1 3.38Å |
| 121 | L | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 174 | -69.3 | 177.9 | 0 | 0 | 0 | 112.5 | L80 I83 Y87 I95 F98 P101 R117 M118 L119 G124 C125 L157 | L80-L121 HydrophobicContact CD1-CD1 3.74Å; I83-L121 HydrophobicContact CG2-CB 3.96Å; Y87-L121 WeakPolarHBondContact CE2-O 3.31Å; Y87-L121 PolarHBondContact OH-O 2.73Å; I95-L121 HydrophobicContact CD1-CD2 3.7Å; F98-L121 HydrophobicContact CD1-CD2 3.84Å; F98-L121 HydrophobicContact CD1-CG 4.46Å; F98-L121 HydrophobicContact CE1-CD1 4.25Å; F98-L121 HydrophobicContact CE1-CD2 3.61Å; F98-L121 HydrophobicContact CE1-CG 3.79Å; F98-L121 HydrophobicContact CZ-CD2 4.31Å; F98-L121 HydrophobicContact CZ-CG 4.43Å; P101-L121 HydrophobicContact CG-CD1 4Å; R117-L121 PolarHBondContact O-N 3.04Å; R117-L121 VanDerWaalsContact O-N 3.14Å; M118-L121 PolarHBondContact O-N 3.4Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.39Å; L121-G124 PolarHBondContact O-N 3.38Å; L121-C125 PolarHBondContact O-N 2.74Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.33Å; L121-L157 HydrophobicContact CD2-CD2 4.23Å |
| 122 | I | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.2 | -63.4 | 172.6 | 0 | 0 | 0 | 110.9 | W19 M41 V44 L45 I48 I83 M118 L119 Q120 G124 C125 A126 | W19-I122 HydrophobicContact CH2-CG2 4.34Å; W19-I122 HydrophobicContact CZ3-CG2 4.29Å; M41-I122 HydrophobicContact CB-CD1 3.67Å; M41-I122 HydrophobicContact CG-CD1 3.68Å; M41-I122 HydrophobicContact SD-CD1 4.14Å; V44-I122 HydrophobicContact CG1-CG2 3.82Å; L45-I122 HydrophobicContact CD2-CG1 4.18Å; L45-I122 HydrophobicContact CD2-CG2 4.12Å; L45-I122 HydrophobicContact CG-CG1 4.35Å; L45-I122 HydrophobicContact CG-CG2 4.41Å; I48-I122 HydrophobicContact CD1-CG2 3.62Å; I83-I122 HydrophobicContact CD1-CD1 4.29Å; I83-I122 HydrophobicContact CD1-CG1 3.57Å; I83-I122 HydrophobicContact CG1-CG1 4.44Å; M118-I122 WeakPolarHBondContact O-CG1 3.43Å; M118-I122 PolarHBondContact O-N 3.06Å; L119-I122 HydrophobicContact CD2-CD1 4.2Å; L119-I122 WeakPolarHBondContact O-CB 3.26Å; L119-I122 PolarHBondContact O-N 3.23Å; L119-I122 VanDerWaalsContact O-N 3.16Å; Q120-I122 PolarHBondContact O-N 3.16Å; I122-G124 VanDerWaalsContact C-N 3.3Å; I122-G124 PolarHBondContact O-N 2.87Å; I122-C125 WeakPolarHBondContact O-CB 3.35Å; I122-C125 PolarHBondContact O-N 2.79Å; I122-C125 VanDerWaalsContact O-N 3.12Å; I122-A126 PolarHBondContact O-N 3.25Å |
| 123 | L | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 172.7 | 172.1 | 67.2 | 0 | 0 | 0 | 110.9 | L16 W19 L119 Q120 C125 A126 V127 I139 V150 A153 I154 | L16-L123 HydrophobicContact CD2-CB 4.45Å; L16-L123 HydrophobicContact CD2-CD2 3.6Å; W19-L123 HydrophobicContact CD2-CD1 4.08Å; W19-L123 HydrophobicContact CE3-CB 4.37Å; W19-L123 HydrophobicContact CE3-CD1 4.3Å; W19-L123 HydrophobicContact CH2-CB 4.02Å; W19-L123 HydrophobicContact CH2-CD1 3.97Å; W19-L123 HydrophobicContact CZ2-CD1 3.68Å; W19-L123 HydrophobicContact CZ3-CB 3.87Å; W19-L123 HydrophobicContact CZ3-CD1 4.25Å; L119-L123 PolarHBondContact O-N 3.49Å; Q120-L123 WeakPolarHBondContact O-CB 3.48Å; Q120-L123 PolarHBondContact O-N 2.95Å; L123-C125 VanDerWaalsContact C-N 3.26Å; L123-C125 PolarHBondContact O-N 3Å; L123-A126 WeakPolarHBondContact O-CB 3.16Å; L123-A126 PolarHBondContact O-N 3.48Å; L123-V127 HydrophobicContact CD1-CG1 4.08Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 2.85Å; L123-I139 HydrophobicContact CD1-CD1 3.85Å; L123-V150 HydrophobicContact CD1-CG1 4.07Å; L123-V150 HydrophobicContact CD2-CG1 3.81Å; L123-A153 HydrophobicContact CD2-CB 4.19Å; L123-I154 HydrophobicContact CD2-CD1 4.46Å; L123-I154 HydrophobicContact CD2-CG1 3.98Å; L123-I154 HydrophobicContact CG-CG1 4.23Å |
| 124 | G | 88.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y87 Q120 L121 I122 N128 | Y87-G124 WeakPolarHBondContact OH-CA 3.37Å; Q120-G124 PolarHBondContact O-N 3.24Å; L121-G124 PolarHBondContact O-N 3.38Å; I122-G124 VanDerWaalsContact C-N 3.3Å; I122-G124 PolarHBondContact O-N 2.87Å; G124-N128 WeakPolarHBondContact O-CB 3.37Å; G124-N128 PolarHBondContact O-N 3.31Å; G124-N128 PolarHBondContact O-ND2 2.91Å |
| 125 | C | 88.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 168 | -61 | 0 | 0 | 0 | 0 | 111.5 | I48 Y86 Y87 L121 I122 L123 V127 N128 C129 | I48-C125 HydrophobicContact CG2-CB 4.36Å; Y86-C125 HydrophobicContact CD1-CB 4.16Å; Y86-C125 HydrophobicContact CE1-CB 4.14Å; Y87-C125 WeakPolarHBondContact CE2-SG 3.04Å; Y87-C125 PolarHBondContact OH-N 3.02Å; L121-C125 PolarHBondContact O-N 2.74Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.33Å; I122-C125 WeakPolarHBondContact O-CB 3.35Å; I122-C125 PolarHBondContact O-N 2.79Å; I122-C125 VanDerWaalsContact O-N 3.12Å; L123-C125 VanDerWaalsContact C-N 3.26Å; L123-C125 PolarHBondContact O-N 3Å; C125-V127 PolarHBondContact O-N 3.31Å; C125-N128 PolarHBondContact O-N 2.84Å; C125-C129 WeakPolarHBondContact O-CB 3.43Å; C125-C129 PolarHBondContact O-N 3.19Å |
| 126 | A | 89.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W19 I48 I122 L123 C129 K132 Y135 | W19-A126 HydrophobicContact CH2-CB 3.79Å; W19-A126 HydrophobicContact CZ2-CB 3.67Å; I48-A126 HydrophobicContact CD1-CB 3.81Å; I48-A126 HydrophobicContact CG1-CB 3.98Å; I48-A126 HydrophobicContact CG2-CB 4.47Å; I122-A126 PolarHBondContact O-N 3.25Å; L123-A126 WeakPolarHBondContact O-CB 3.16Å; L123-A126 PolarHBondContact O-N 3.48Å; A126-C129 PolarHBondContact O-SG 2.93Å; A126-K132 WeakPolarHBondContact O-CA 3.46Å; A126-Y135 HydrophobicContact CB-CD2 3.97Å; A126-Y135 HydrophobicContact CB-CG 4.01Å; A126-Y135 WeakPolarHBondContact O-CD2 3.29Å |
| 127 | V | 89.5 | Confident | 88.7 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -83.4 | -13.9 | 179.7 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | L123 C125 K132 I136 I139 I154 | L123-V127 HydrophobicContact CD1-CG1 4.08Å; L123-V127 WeakPolarHBondContact O-CG2 3.28Å; L123-V127 PolarHBondContact O-N 2.85Å; C125-V127 PolarHBondContact O-N 3.31Å; V127-K132 WeakPolarHBondContact O-CB 3.49Å; V127-K132 WeakPolarHBondContact O-CD 3.37Å; V127-I136 HydrophobicContact CG1-CG1 4.4Å; V127-I139 HydrophobicContact CG1-CD1 4.35Å; V127-I154 HydrophobicContact CG1-CD1 3.8Å; V127-I154 HydrophobicContact CG1-CG1 4.26Å; V127-I154 HydrophobicContact CG2-CG1 4.36Å; V127-I154 HydrophobicContact CG2-CG2 4.41Å |
| 128 | N | 86.2 | Confident | 88.7 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -108.3 | -7 | 178.5 | -71.5 | -58.3 | 0 | 0 | 0 | 114 | L91 G124 C125 | L91-N128 HydrophobicContact CD1-CB 3.73Å; L91-N128 HydrophobicContact CD2-CB 3.77Å; L91-N128 VanDerWaalsContact CD2-O 3.3Å; L91-N128 WeakPolarHBondContact CD2-O 3.42Å; L91-N128 HydrophobicContact CG-CB 4.33Å; G124-N128 WeakPolarHBondContact O-CB 3.37Å; G124-N128 PolarHBondContact O-N 3.31Å; G124-N128 PolarHBondContact O-ND2 2.91Å; C125-N128 PolarHBondContact O-N 2.84Å |
| 129 | C | 86.8 | Confident | 88.7 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -71.1 | 170.8 | 176.7 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | I48 C125 A126 Q131 K132 | I48-C129 HydrophobicContact CG2-CB 4.04Å; C125-C129 WeakPolarHBondContact O-CB 3.43Å; C125-C129 PolarHBondContact O-N 3.19Å; A126-C129 PolarHBondContact O-SG 2.93Å; C129-Q131 PolarHBondContact O-N 2.77Å; C129-K132 VanDerWaalsContact O-CB 3.3Å; C129-K132 WeakPolarHBondContact O-CB 3.37Å; C129-K132 WeakPolarHBondContact O-CG 3.28Å; C129-K132 PolarHBondContact O-N 3.29Å; C129-K132 VanDerWaalsContact O-N 3.17Å |
| 130 | E | 85.3 | Confident | 88.5 | Confident | 189 Ų | 189 | 50.7 Ų | 50.7 | 88% | 0.883 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -34.8 | 179 | -64 | -170.6 | 164.5 | 0 | 0 | 112.5 | K132 | E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.28Å |
| 131 | Q | 86.8 | Confident | 88.5 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 17.6 | 179.9 | -64.9 | -177.4 | -13.5 | 0 | 0 | 113.8 | C129 Q133 E134 Y135 | C129-Q131 PolarHBondContact O-N 2.77Å; Q131-Q133 PolarHBondContact O-N 2.79Å; Q131-E134 PolarHBondContact O-N 2.86Å; Q131-Y135 HydrophobicContact CB-CE2 4.47Å |
| 132 | K | 87.4 | Confident | 88.5 | Confident | 87 Ų | 87 | 58.1 Ų | 58.1 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -50.3 | -29 | -176.8 | 61.9 | -175.8 | 174.8 | -170.6 | 0 | 115.7 | A126 V127 C129 E130 E134 Y135 I136 | A126-K132 WeakPolarHBondContact O-CA 3.46Å; V127-K132 WeakPolarHBondContact O-CB 3.49Å; V127-K132 WeakPolarHBondContact O-CD 3.37Å; C129-K132 VanDerWaalsContact O-CB 3.3Å; C129-K132 WeakPolarHBondContact O-CB 3.37Å; C129-K132 WeakPolarHBondContact O-CG 3.28Å; C129-K132 PolarHBondContact O-N 3.29Å; C129-K132 VanDerWaalsContact O-N 3.17Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.28Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.47Å; K132-Y135 PolarHBondContact O-N 3.34Å; K132-I136 HydrophobicContact CB-CD1 4.29Å; K132-I136 HydrophobicContact CG-CD1 4.49Å; K132-I136 WeakPolarHBondContact O-CB 3.5Å; K132-I136 WeakPolarHBondContact O-CD1 3.34Å; K132-I136 WeakPolarHBondContact O-CG1 3.43Å; K132-I136 PolarHBondContact O-N 3.4Å |
| 133 | Q | 86.3 | Confident | 88.4 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 179.9 | -66.5 | -63.9 | -37.3 | 0 | 0 | 112.5 | Q131 Q137 | Q131-Q133 PolarHBondContact O-N 2.79Å; Q133-Q137 WeakPolarHBondContact O-CB 3.34Å; Q133-Q137 VanDerWaalsContact O-CG 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.43Å; Q133-Q137 PolarHBondContact O-N 3.15Å |
| 134 | E | 88.3 | Confident | 88.2 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 179.6 | -63.8 | -175.6 | -176.1 | 0 | 0 | 111.3 | Q131 K132 Q137 T138 | Q131-E134 PolarHBondContact O-N 2.86Å; K132-E134 VanDerWaalsContact C-N 3.32Å; K132-E134 PolarHBondContact O-N 3.47Å; E134-Q137 PolarHBondContact O-N 3.24Å; E134-T138 PolarHBondContact O-N 3.44Å; E134-T138 PolarHBondContact O-OG1 2.9Å |
| 135 | Y | 89.4 | Confident | 88.1 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 177.1 | -62.5 | -56.4 | 0 | 0 | 0 | 112.5 | F23 K47 I48 A126 Q131 K132 T138 I139 | F23-Y135 HydrophobicContact CD1-CE1 4.24Å; F23-Y135 AromaticContact CE1-CD1 3.93Å; F23-Y135 HydrophobicContact CE1-CD1 3.93Å; F23-Y135 AromaticContact CE1-CE1 3.27Å; F23-Y135 HydrophobicContact CE1-CE1 3.27Å; F23-Y135 AromaticContact CE1-CZ 3.94Å; F23-Y135 AromaticContact CZ-CD1 3.73Å; F23-Y135 HydrophobicContact CZ-CD1 3.73Å; F23-Y135 AromaticContact CZ-CE1 3.59Å; F23-Y135 HydrophobicContact CZ-CE1 3.59Å; K47-Y135 VanDerWaalsContact C-OH 3.31Å; K47-Y135 PolarHBondContact O-OH 2.88Å; I48-Y135 VanDerWaalsContact CA-OH 3.31Å; I48-Y135 WeakPolarHBondContact CA-OH 3.42Å; I48-Y135 HydrophobicContact CG1-CE2 4.27Å; I48-Y135 PolarHBondContact N-OH 3.28Å; A126-Y135 HydrophobicContact CB-CD2 3.97Å; A126-Y135 HydrophobicContact CB-CG 4.01Å; A126-Y135 WeakPolarHBondContact O-CD2 3.29Å; Q131-Y135 HydrophobicContact CB-CE2 4.47Å; K132-Y135 PolarHBondContact O-N 3.34Å; Y135-T138 PolarHBondContact O-N 3.06Å; Y135-I139 WeakPolarHBondContact O-CD1 3.41Å; Y135-I139 VanDerWaalsContact O-CG1 3.31Å; Y135-I139 WeakPolarHBondContact O-CG1 3.3Å; Y135-I139 PolarHBondContact O-N 3.31Å |
| 136 | I | 89.1 | Confident | 88.1 | Confident | 60 Ų | 60 | 76 Ų | 76 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175 | -67.5 | 165 | 0 | 0 | 0 | 110.6 | V127 K132 T138 I139 M140 | V127-I136 HydrophobicContact CG1-CG1 4.4Å; K132-I136 HydrophobicContact CB-CD1 4.29Å; K132-I136 HydrophobicContact CG-CD1 4.49Å; K132-I136 WeakPolarHBondContact O-CB 3.5Å; K132-I136 WeakPolarHBondContact O-CD1 3.34Å; K132-I136 WeakPolarHBondContact O-CG1 3.43Å; K132-I136 PolarHBondContact O-N 3.4Å; I136-T138 VanDerWaalsContact C-N 3.3Å; I136-T138 PolarHBondContact O-N 3.35Å; I136-I139 PolarHBondContact O-N 3.47Å; I136-M140 HydrophobicContact CG2-SD 4.45Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.28Å |
| 137 | Q | 88.6 | Confident | 87.9 | Confident | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 175.7 | -75.9 | 174.2 | 20.5 | 0 | 0 | 112.3 | Q133 E134 M140 V141 | Q133-Q137 WeakPolarHBondContact O-CB 3.34Å; Q133-Q137 VanDerWaalsContact O-CG 3.22Å; Q133-Q137 WeakPolarHBondContact O-CG 3.43Å; Q133-Q137 PolarHBondContact O-N 3.15Å; E134-Q137 PolarHBondContact O-N 3.24Å; Q137-M140 PolarHBondContact O-N 3.47Å; Q137-V141 PolarHBondContact O-N 3.04Å |
| 138 | T | 88.4 | Confident | 87.7 | Confident | 56 Ų | 56 | 84.7 Ų | 84.7 | 34% | 0.344 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | T22 E134 Y135 I136 M140 V141 M142 | T22-T138 HydrophobicContact CG2-CG2 4.15Å; E134-T138 PolarHBondContact O-N 3.44Å; E134-T138 PolarHBondContact O-OG1 2.9Å; Y135-T138 PolarHBondContact O-N 3.06Å; I136-T138 VanDerWaalsContact C-N 3.3Å; I136-T138 PolarHBondContact O-N 3.35Å; T138-M140 VanDerWaalsContact C-N 3.31Å; T138-M140 PolarHBondContact O-N 2.85Å; T138-V141 PolarHBondContact O-N 2.99Å; T138-M142 WeakPolarHBondContact O-CG 3.33Å |
| 139 | I | 89.6 | Confident | 87.8 | Confident | 16 Ų | 16 | 84.2 Ų | 84.2 | 8% | 0.082 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 175.9 | -67.7 | 160.5 | 0 | 0 | 0 | 110.9 | L123 V127 Y135 I136 V141 M142 Q147 V150 | L123-I139 HydrophobicContact CD1-CD1 3.85Å; V127-I139 HydrophobicContact CG1-CD1 4.35Å; Y135-I139 WeakPolarHBondContact O-CD1 3.41Å; Y135-I139 VanDerWaalsContact O-CG1 3.31Å; Y135-I139 WeakPolarHBondContact O-CG1 3.3Å; Y135-I139 PolarHBondContact O-N 3.31Å; I136-I139 PolarHBondContact O-N 3.47Å; I139-V141 PolarHBondContact O-N 3.12Å; I139-V141 VanDerWaalsContact O-N 3.15Å; I139-M142 WeakPolarHBondContact O-CB 3.17Å; I139-M142 PolarHBondContact O-N 2.92Å; I139-M142 VanDerWaalsContact O-N 3.1Å; I139-Q147 VanDerWaalsContact O-CG 3.3Å; I139-Q147 WeakPolarHBondContact O-CG 3.4Å; I139-V150 HydrophobicContact CD1-CG1 3.82Å; I139-V150 HydrophobicContact CG1-CG1 4.13Å; I139-V150 HydrophobicContact CG2-CB 4.31Å; I139-V150 HydrophobicContact CG2-CG1 3.69Å |
| 140 | M | 87.1 | Confident | 87.8 | Confident | 128 Ų | 128 | 84 Ų | 84 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.5 | -16.4 | -179.2 | -72.3 | -177.7 | 69.7 | 0 | 0 | 115.2 | I136 Q137 T138 Q147 | I136-M140 HydrophobicContact CG2-SD 4.45Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.28Å; Q137-M140 PolarHBondContact O-N 3.47Å; T138-M140 VanDerWaalsContact C-N 3.31Å; T138-M140 PolarHBondContact O-N 2.85Å; M140-Q147 VanDerWaalsContact C-NE2 3.29Å; M140-Q147 PolarHBondContact O-NE2 2.9Å |
| 141 | V | 90.3 | Very high | 87.8 | Confident | 131 Ų | 131 | 80.1 Ų | 80.1 | 79% | 0.794 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -4.5 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | Q137 T138 I139 | Q137-V141 PolarHBondContact O-N 3.04Å; T138-V141 PolarHBondContact O-N 2.99Å; I139-V141 PolarHBondContact O-N 3.12Å; I139-V141 VanDerWaalsContact O-N 3.15Å |
| 142 | M | 89.5 | Confident | 87.8 | Confident | 27 Ų | 27 | 78.4 Ų | 78.4 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -74.6 | 175.1 | 177 | -60.1 | -174.5 | 75 | 0 | 0 | 112.2 | T18 W19 T22 T138 I139 V146 Q147 | T18-M142 HydrophobicContact CG2-CE 3.74Å; W19-M142 VanDerWaalsContact CA-CE 3.49Å; W19-M142 HydrophobicContact CB-CE 3.98Å; W19-M142 HydrophobicContact CB-SD 4.12Å; W19-M142 HydrophobicContact CG-SD 4.42Å; T22-M142 HydrophobicContact CG2-CE 4.15Å; T22-M142 HydrophobicContact CG2-SD 4.31Å; T138-M142 WeakPolarHBondContact O-CG 3.33Å; I139-M142 WeakPolarHBondContact O-CB 3.17Å; I139-M142 PolarHBondContact O-N 2.92Å; I139-M142 VanDerWaalsContact O-N 3.1Å; M142-V146 HydrophobicContact CE-CG1 3.65Å; M142-V146 HydrophobicContact SD-CG1 4.27Å; M142-Q147 HydrophobicContact CB-CG 4.36Å; M142-Q147 PolarHBondContact O-NE2 2.63Å |
| 143 | E | 91.3 | Very high | 87.6 | Confident | 141 Ų | 141 | 74.4 Ų | 74.4 | 66% | 0.659 | 38% | 0.377 | S | S | * | . | trans | -63.1 | 143.7 | 175.6 | -166 | 176.2 | 172.4 | 0 | 0 | 112.1 | S145 V146 Q147 | E143-S145 VanDerWaalsContact C-N 3.28Å; E143-S145 WeakPolarHBondContact CG-OG 3.38Å; E143-S145 PolarHBondContact O-N 2.97Å; E143-V146 HydrophobicContact CB-CG2 4.25Å; E143-V146 PolarHBondContact O-N 3.28Å; E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 3.44Å | ||
| 144 | E | 86.3 | Confident | 87.5 | Confident | 166 Ų | 166 | 70.4 Ų | 70.4 | 78% | 0.776 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.3 | -36 | -174.8 | -169.8 | 175.6 | -177.3 | 0 | 0 | 113 | Q147 H148 | E144-Q147 PolarHBondContact O-N 3.37Å; E144-H148 PolarHBondContact O-N 2.86Å; E144-H148 VanDerWaalsContact O-N 3.09Å |
| 145 | S | 86.1 | Confident | 87.2 | Confident | 60 Ų | 60 | 70 Ų | 70 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 172.7 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | E143 H148 V149 | E143-S145 VanDerWaalsContact C-N 3.28Å; E143-S145 WeakPolarHBondContact CG-OG 3.38Å; E143-S145 PolarHBondContact O-N 2.97Å; S145-H148 PolarHBondContact O-N 3.08Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.31Å |
| 146 | V | 88.2 | Confident | 86.8 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 6% | 0.055 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | M142 E143 H148 V149 V150 | M142-V146 HydrophobicContact CE-CG1 3.65Å; M142-V146 HydrophobicContact SD-CG1 4.27Å; E143-V146 HydrophobicContact CB-CG2 4.25Å; E143-V146 PolarHBondContact O-N 3.28Å; V146-H148 VanDerWaalsContact C-N 3.31Å; V146-H148 PolarHBondContact O-N 3.07Å; V146-V149 PolarHBondContact O-N 2.87Å; V146-V150 HydrophobicContact CG1-CG2 4.14Å; V146-V150 WeakPolarHBondContact O-CB 3.32Å; V146-V150 VanDerWaalsContact O-CG2 3.22Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 3.28Å |
| 147 | Q | 85.2 | Confident | 86.1 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 29% | 0.29 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 176.7 | -70.2 | -173 | 29.9 | 0 | 0 | 112.1 | I139 M140 M142 E143 E144 V150 M151 | I139-Q147 VanDerWaalsContact O-CG 3.3Å; I139-Q147 WeakPolarHBondContact O-CG 3.4Å; M140-Q147 VanDerWaalsContact C-NE2 3.29Å; M140-Q147 PolarHBondContact O-NE2 2.9Å; M142-Q147 HydrophobicContact CB-CG 4.36Å; M142-Q147 PolarHBondContact O-NE2 2.63Å; E143-Q147 WeakPolarHBondContact O-CG 3.37Å; E143-Q147 PolarHBondContact O-N 3.44Å; E144-Q147 PolarHBondContact O-N 3.37Å; Q147-V150 PolarHBondContact O-N 2.83Å; Q147-M151 VanDerWaalsContact O-CB 3.3Å; Q147-M151 WeakPolarHBondContact O-CB 3.37Å; Q147-M151 PolarHBondContact O-N 2.81Å |
| 148 | H | 85.4 | Confident | 85.2 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 61% | 0.611 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | -179.6 | -167.9 | 61 | 0 | 0 | 0 | 112.3 | E144 S145 V146 M151 T152 | E144-H148 PolarHBondContact O-N 2.86Å; E144-H148 VanDerWaalsContact O-N 3.09Å; S145-H148 PolarHBondContact O-N 3.08Å; V146-H148 VanDerWaalsContact C-N 3.31Å; V146-H148 PolarHBondContact O-N 3.07Å; H148-M151 PolarHBondContact O-N 2.86Å; H148-T152 PolarHBondContact O-N 2.86Å; H148-T152 PolarHBondContact O-OG1 3.34Å |
| 149 | V | 88.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | E11 L12 S145 V146 M151 T152 A153 | E11-V149 HydrophobicContact CG-CG2 4.42Å; L12-V149 HydrophobicContact CD1-CG1 3.84Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.31Å; V146-V149 PolarHBondContact O-N 2.87Å; V149-M151 PolarHBondContact O-N 3.36Å; V149-T152 PolarHBondContact O-N 2.89Å; V149-A153 WeakPolarHBondContact O-CB 3.37Å; V149-A153 PolarHBondContact O-N 2.96Å |
| 150 | V | 86.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | L16 L123 I139 V146 Q147 A153 I154 | L16-V150 HydrophobicContact CD2-CG2 4.14Å; L123-V150 HydrophobicContact CD1-CG1 4.07Å; L123-V150 HydrophobicContact CD2-CG1 3.81Å; I139-V150 HydrophobicContact CD1-CG1 3.82Å; I139-V150 HydrophobicContact CG1-CG1 4.13Å; I139-V150 HydrophobicContact CG2-CB 4.31Å; I139-V150 HydrophobicContact CG2-CG1 3.69Å; V146-V150 HydrophobicContact CG1-CG2 4.14Å; V146-V150 WeakPolarHBondContact O-CB 3.32Å; V146-V150 VanDerWaalsContact O-CG2 3.22Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 3.28Å; Q147-V150 PolarHBondContact O-N 2.83Å; V150-A153 PolarHBondContact O-N 3.35Å; V150-I154 HydrophobicContact CG1-CD1 3.95Å; V150-I154 WeakPolarHBondContact O-CD1 3.29Å; V150-I154 VanDerWaalsContact O-CG1 3.28Å; V150-I154 WeakPolarHBondContact O-CG1 3.37Å; V150-I154 PolarHBondContact O-N 3.41Å |
| 151 | M | 85.4 | Confident | 79.3 | Confident | 107 Ų | 107 | 87.2 Ų | 87.2 | 53% | 0.527 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 176.3 | 179.9 | 172.5 | 179 | 0 | 0 | 111.8 | Q147 H148 V149 I154 Q155 | Q147-M151 VanDerWaalsContact O-CB 3.3Å; Q147-M151 WeakPolarHBondContact O-CB 3.37Å; Q147-M151 PolarHBondContact O-N 2.81Å; H148-M151 PolarHBondContact O-N 2.86Å; V149-M151 PolarHBondContact O-N 3.36Å; M151-I154 PolarHBondContact O-N 3.32Å; M151-Q155 VanDerWaalsContact CE-NE2 3.32Å; M151-Q155 WeakPolarHBondContact O-CG 3.48Å; M151-Q155 PolarHBondContact O-N 3.43Å |
| 152 | T | 85.9 | Confident | 76.5 | Confident | 67 Ų | 67 | 87.5 Ų | 87.5 | 41% | 0.411 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.4 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | H148 V149 I154 Q155 E156 | H148-T152 PolarHBondContact O-N 2.86Å; H148-T152 PolarHBondContact O-OG1 3.34Å; V149-T152 PolarHBondContact O-N 2.89Å; T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.47Å; T152-Q155 PolarHBondContact O-N 3.26Å; T152-E156 PolarHBondContact O-N 3.44Å |
| 153 | A | 84 | Confident | 73.8 | Confident | 2 Ų | 2 | 91.3 Ų | 91.3 | 2% | 0.017 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L12 Q120 L123 V149 V150 L157 | L12-A153 HydrophobicContact CD1-CB 3.86Å; Q120-A153 HydrophobicContact CG-CB 4.1Å; Q120-A153 PolarHBondContact NE2-O 3.41Å; L123-A153 HydrophobicContact CD2-CB 4.19Å; V149-A153 WeakPolarHBondContact O-CB 3.37Å; V149-A153 PolarHBondContact O-N 2.96Å; V150-A153 PolarHBondContact O-N 3.35Å; A153-L157 PolarHBondContact O-N 2.96Å |
| 154 | I | 84 | Confident | 71 | Confident | 32 Ų | 32 | 90.9 Ų | 90.9 | 16% | 0.164 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 174.8 | -66.2 | 161.3 | 0 | 0 | 0 | 111.3 | L123 V127 V150 M151 T152 L157 M158 | L123-I154 HydrophobicContact CD2-CD1 4.46Å; L123-I154 HydrophobicContact CD2-CG1 3.98Å; L123-I154 HydrophobicContact CG-CG1 4.23Å; V127-I154 HydrophobicContact CG1-CD1 3.8Å; V127-I154 HydrophobicContact CG1-CG1 4.26Å; V127-I154 HydrophobicContact CG2-CG1 4.36Å; V127-I154 HydrophobicContact CG2-CG2 4.41Å; V150-I154 HydrophobicContact CG1-CD1 3.95Å; V150-I154 WeakPolarHBondContact O-CD1 3.29Å; V150-I154 VanDerWaalsContact O-CG1 3.28Å; V150-I154 WeakPolarHBondContact O-CG1 3.37Å; V150-I154 PolarHBondContact O-N 3.41Å; M151-I154 PolarHBondContact O-N 3.32Å; T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.47Å; I154-L157 WeakPolarHBondContact O-CB 3.25Å; I154-L157 PolarHBondContact O-N 3Å; I154-M158 HydrophobicContact CG2-CE 4.06Å; I154-M158 HydrophobicContact CG2-SD 4.46Å; I154-M158 WeakPolarHBondContact O-CG 3.36Å; I154-M158 PolarHBondContact O-N 2.86Å |
| 155 | Q | 82.6 | Confident | 68.6 | Low | 107 Ų | 107 | 89.4 Ų | 89.4 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 179 | -75.6 | 178.2 | -7.5 | 0 | 0 | 112 | M151 T152 L157 M158 S159 | M151-Q155 VanDerWaalsContact CE-NE2 3.32Å; M151-Q155 WeakPolarHBondContact O-CG 3.48Å; M151-Q155 PolarHBondContact O-N 3.43Å; T152-Q155 PolarHBondContact O-N 3.26Å; Q155-L157 PolarHBondContact O-N 2.83Å; Q155-M158 PolarHBondContact O-N 3.5Å; Q155-S159 PolarHBondContact O-N 3.17Å |
| 156 | E | 80.8 | Confident | 66.4 | Low | 118 Ų | 118 | 92.4 Ų | 92.4 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -33.8 | 174.6 | -169.1 | -179.7 | -167.8 | 0 | 0 | 112 | Q120 T152 | Q120-E156 PolarHBondContact NE2-OE2 3.36Å; T152-E156 PolarHBondContact O-N 3.44Å |
| 157 | L | 74.3 | Confident | 64 | Low | 32 Ų | 32 | 95.7 Ų | 95.7 | 17% | 0.168 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -76 | -15.1 | 175.4 | -84.1 | 159.8 | 0 | 0 | 0 | 114.3 | F98 Q120 L121 A153 I154 Q155 | F98-L157 HydrophobicContact CD2-CD2 4.35Å; Q120-L157 HydrophobicContact CG-CD1 3.66Å; Q120-L157 HydrophobicContact CG-CG 4.27Å; Q120-L157 WeakPolarHBondContact O-CD1 3.38Å; L121-L157 HydrophobicContact CD2-CD2 4.23Å; A153-L157 PolarHBondContact O-N 2.96Å; I154-L157 WeakPolarHBondContact O-CB 3.25Å; I154-L157 PolarHBondContact O-N 3Å; Q155-L157 PolarHBondContact O-N 2.83Å |
| 158 | M | 70.5 | Confident | 61.6 | Low | 103 Ų | 103 | 96.5 Ų | 96.5 | 51% | 0.507 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -120.9 | 1.3 | -168 | -68 | -152.8 | -47.6 | 0 | 0 | 116.9 | I154 Q155 K160 | I154-M158 HydrophobicContact CG2-CE 4.06Å; I154-M158 HydrophobicContact CG2-SD 4.46Å; I154-M158 WeakPolarHBondContact O-CG 3.36Å; I154-M158 PolarHBondContact O-N 2.86Å; Q155-M158 PolarHBondContact O-N 3.5Å; M158-K160 PolarHBondContact O-N 3.32Å |
| 159 | S | 60.3 | Low | 59.3 | Low | 110 Ų | 110 | 98.2 Ų | 98.2 | 77% | 0.769 | 58% | 0.583 | S | S | * | * | trans | -66.8 | 105.5 | -176.5 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | Q155 | Q155-S159 PolarHBondContact O-N 3.17Š| ||
| 160 | K | 46.9 | Very low | 56.9 | Low | 201 Ų | 201 | 104.4 Ų | 104.4 | 87% | 0.874 | 62% | 0.615 | S | S | * | * | trans | -96.9 | 128.5 | 170.9 | -89.1 | -179.1 | 173.8 | 176.5 | 0 | 111.2 | M158 | M158-K160 PolarHBondContact O-N 3.32Š| ||
| 161 | E | 33.8 | Very low | 54.6 | Low | 203 Ų | 203 | 108.1 Ų | 108.1 | 95% | 0.949 | 64% | 0.641 | S | S | * | * | trans | -95.2 | 130.9 | 171.9 | -139.5 | 177.5 | -167.9 | 0 | 0 | 110.7 | ||||
| 162 | T | 31.7 | Very low | 52.6 | Low | 136 Ų | 136 | 113.4 Ų | 113.4 | 83% | 0.834 | 66% | 0.656 | S | S | * | * | trans | -126.5 | 130.9 | 175.1 | 42.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 163 | A | 32.4 | Very low | 51 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 89% | 0.893 | 66% | 0.662 | S | S | * | * | trans | -78.6 | 152.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 164 | V | 31.9 | Very low | 49.5 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -100.8 | 137.1 | -179.6 | 175 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 165 | T | 36.6 | Very low | 47.9 | Very low | 136 Ų | 136 | 121.7 Ų | 121.7 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -151.8 | 136.8 | 155.7 | -46.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 166 | P | 40.2 | Very low | 46.4 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -135.3 | 139.1 | 146.9 | 33.5 | -18.3 | 0 | 0 | 0 | 112.4 | ||||
| 167 | G | 36.8 | Very low | 45.2 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | trans | -159.1 | 137 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 168 | G | 34.9 | Very low | 44.2 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 103.5 | 154.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 169 | N | 36.7 | Very low | 43.4 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | cis | -169.6 | 152.7 | -32 | -150.1 | 43.8 | 0 | 0 | 0 | 104.8 | ||||
| 170 | D | 38.6 | Very low | 43.5 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -87.4 | 179.8 | -173 | -121.7 | -25.9 | 0 | 0 | 0 | 114.5 | ||||
| 171 | S | 39 | Very low | 44.3 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | trans | 105 | 99.1 | 156.6 | -68.7 | 0 | 0 | 0 | 0 | 118.3 | D174 | S171-D174 WeakPolarHBondContact CB-OD2 3.49Å; S171-D174 PolarHBondContact OG-OD2 3.22Å | ||
| 172 | Y | 41.8 | Very low | 45.6 | Very low | 218 Ų | 218 | 123.3 Ų | 123.3 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | S | Bend | -179 | 54 | 126.4 | -146.4 | -101.9 | 0 | 0 | 0 | 114.5 | D174 | Y172-D174 VanDerWaalsContact C-N 3.31Š| |
| 173 | A | 53.3 | Low | 47.4 | Very low | 65 Ų | 65 | 122 Ų | 122 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -108.6 | 31.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L175 R177 | A173-L175 PolarHBondContact O-N 3.2Å; A173-R177 WeakPolarHBondContact O-CB 3.26Å; A173-R177 PolarHBondContact O-N 2.98Å |
| 174 | D | 53 | Low | 49.2 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 38% | 0.38 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | 0.2 | -138.1 | -126.6 | -1.2 | 0 | 0 | 0 | 115.3 | S171 Y172 | S171-D174 WeakPolarHBondContact CB-OD2 3.49Å; S171-D174 PolarHBondContact OG-OD2 3.22Å; Y172-D174 VanDerWaalsContact C-N 3.31Å |
| 175 | L | 50 | Low | 51.2 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -30.7 | 175.4 | -104.1 | 83.2 | 0 | 0 | 0 | 113.4 | A173 | A173-L175 PolarHBondContact O-N 3.2Š|
| 176 | D | 49.9 | Very low | 52.8 | Low | 150 Ų | 150 | 119.5 Ų | 119.5 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -90.6 | -23.5 | -175 | -148 | 46.1 | 0 | 0 | 0 | 111.9 | ||
| 177 | R | 56.4 | Low | 54.3 | Low | 192 Ų | 192 | 118.2 Ų | 118.2 | 73% | 0.725 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.7 | -29.2 | 169.9 | -147.5 | 173.5 | 174.7 | 115.7 | -1.4 | 111.6 | A173 L179 K180 K181 | A173-R177 WeakPolarHBondContact O-CB 3.26Å; A173-R177 PolarHBondContact O-N 2.98Å; R177-L179 PolarHBondContact O-N 3.43Å; R177-K180 PolarHBondContact O-N 2.91Å; R177-K181 WeakPolarHBondContact O-CB 3.41Å; R177-K181 PolarHBondContact O-N 3.22Å |
| 178 | E | 53.6 | Low | 56.2 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.3 | -36.1 | -176.2 | -154.4 | 172.9 | -159.5 | 0 | 0 | 112.7 | K181 T182 | E178-K181 PolarHBondContact O-N 3.43Å; E178-T182 WeakPolarHBondContact O-CG2 3.4Å; E178-T182 PolarHBondContact O-N 3.41Å; E178-T182 PolarHBondContact O-OG1 3.48Å |
| 179 | L | 54 | Low | 58.2 | Low | 124 Ų | 124 | 118 Ų | 118 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.5 | -35 | 176.7 | -170.6 | 69.3 | 0 | 0 | 0 | 113.2 | R177 T182 | R177-L179 PolarHBondContact O-N 3.43Å; L179-T182 PolarHBondContact O-OG1 2.88Å |
| 180 | K | 61.2 | Low | 60.1 | Low | 154 Ų | 154 | 114.6 Ų | 114.6 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.7 | -40.3 | 172.8 | -121.2 | 178 | -179.8 | -179.1 | 0 | 111 | R177 T182 I183 E184 | R177-K180 PolarHBondContact O-N 2.91Å; K180-T182 PolarHBondContact O-N 3.38Å; K180-I183 PolarHBondContact O-N 3.41Å; K180-E184 PolarHBondContact O-N 2.83Å |
| 181 | K | 64.8 | Low | 62.1 | Low | 118 Ų | 118 | 110 Ų | 110 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.8 | -40.7 | 176.6 | -162.7 | -168.2 | -177.8 | -161.9 | 0 | 112 | R177 E178 I183 E184 E185 | R177-K181 WeakPolarHBondContact O-CB 3.41Å; R177-K181 PolarHBondContact O-N 3.22Å; E178-K181 PolarHBondContact O-N 3.43Å; K181-I183 VanDerWaalsContact C-N 3.31Å; K181-I183 PolarHBondContact O-N 2.85Å; K181-E184 CarbonylContact O-C 3.59Å; K181-E184 PolarHBondContact O-N 2.85Å; K181-E185 VanDerWaalsContact CD-OE1 3.27Å; K181-E185 WeakPolarHBondContact CD-OE1 3.21Å; K181-E185 WeakPolarHBondContact CE-OE1 3.46Å; K181-E185 HydrophobicContact CG-CG 4.19Å; K181-E185 VanDerWaalsContact CG-OE1 3.31Å; K181-E185 WeakPolarHBondContact CG-OE1 3.5Å; K181-E185 IonicContact NZ-OE1 3.51Å; K181-E185 WeakPolarHBondContact O-CB 3.43Å; K181-E185 WeakPolarHBondContact O-CG 3.41Å; K181-E185 PolarHBondContact O-N 2.82Å |
| 182 | T | 61.6 | Low | 64 | Low | 66 Ų | 66 | 109.5 Ų | 109.5 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -29.8 | 177.1 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | E178 L179 K180 L186 | E178-T182 WeakPolarHBondContact O-CG2 3.4Å; E178-T182 PolarHBondContact O-N 3.41Å; E178-T182 PolarHBondContact O-OG1 3.48Å; L179-T182 PolarHBondContact O-OG1 2.88Å; K180-T182 PolarHBondContact O-N 3.38Å; T182-L186 WeakPolarHBondContact O-CB 3.14Å; T182-L186 PolarHBondContact O-N 3.38Å |
| 183 | I | 68.5 | Low | 65.9 | Low | 107 Ų | 107 | 106 Ų | 106 | 55% | 0.549 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.1 | -39 | 175 | -65.9 | 173.1 | 0 | 0 | 0 | 111 | K180 K181 L186 N187 | K180-I183 PolarHBondContact O-N 3.41Å; K181-I183 VanDerWaalsContact C-N 3.31Å; K181-I183 PolarHBondContact O-N 2.85Å; I183-L186 PolarHBondContact O-N 2.87Å; I183-N187 PolarHBondContact O-N 3.45Å; I183-N187 PolarHBondContact O-ND2 3.26Å; I183-N187 VanDerWaalsContact O-ND2 3.13Å |
| 184 | E | 71.1 | Confident | 67.2 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -42.9 | 171.1 | -89.5 | 157.4 | 163.4 | 0 | 0 | 111.5 | K180 K181 L186 N187 D188 | K180-E184 PolarHBondContact O-N 2.83Å; K181-E184 CarbonylContact O-C 3.59Å; K181-E184 PolarHBondContact O-N 2.85Å; E184-L186 VanDerWaalsContact C-N 3.3Å; E184-L186 PolarHBondContact O-N 3.28Å; E184-N187 PolarHBondContact O-N 2.83Å; E184-N187 VanDerWaalsContact O-N 3.15Å; E184-D188 WeakPolarHBondContact O-CB 3.48Å; E184-D188 VanDerWaalsContact O-CG 3.31Å; E184-D188 PolarHBondContact O-N 2.84Å |
| 185 | E | 72.3 | Confident | 68.6 | Low | 89 Ų | 89 | 111.5 Ų | 111.5 | 42% | 0.416 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.3 | -34.9 | 174.7 | -76.4 | 168.9 | 178.9 | 0 | 0 | 112.2 | K181 A189 | K181-E185 VanDerWaalsContact CD-OE1 3.27Å; K181-E185 WeakPolarHBondContact CD-OE1 3.21Å; K181-E185 WeakPolarHBondContact CE-OE1 3.46Å; K181-E185 HydrophobicContact CG-CG 4.19Å; K181-E185 VanDerWaalsContact CG-OE1 3.31Å; K181-E185 WeakPolarHBondContact CG-OE1 3.5Å; K181-E185 IonicContact NZ-OE1 3.51Å; K181-E185 WeakPolarHBondContact O-CB 3.43Å; K181-E185 WeakPolarHBondContact O-CG 3.41Å; K181-E185 PolarHBondContact O-N 2.82Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.15Å |
| 186 | L | 70.3 | Confident | 70.1 | Confident | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71 | -38.8 | 175.1 | -175.5 | 66.3 | 0 | 0 | 0 | 112.2 | T182 I183 E184 A189 L190 | T182-L186 WeakPolarHBondContact O-CB 3.14Å; T182-L186 PolarHBondContact O-N 3.38Å; I183-L186 PolarHBondContact O-N 2.87Å; E184-L186 VanDerWaalsContact C-N 3.3Å; E184-L186 PolarHBondContact O-N 3.28Å; L186-A189 PolarHBondContact O-N 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 2.85Å |
| 187 | N | 72.4 | Confident | 71.7 | Confident | 95 Ų | 95 | 104.8 Ų | 104.8 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.6 | -38.9 | 175 | -76.9 | -47.9 | 0 | 0 | 0 | 111.6 | I183 E184 A189 L190 A191 | I183-N187 PolarHBondContact O-N 3.45Å; I183-N187 PolarHBondContact O-ND2 3.26Å; I183-N187 VanDerWaalsContact O-ND2 3.13Å; E184-N187 PolarHBondContact O-N 2.83Å; E184-N187 VanDerWaalsContact O-N 3.15Å; N187-A189 VanDerWaalsContact C-N 3.34Å; N187-L190 PolarHBondContact O-N 2.87Å; N187-A191 WeakPolarHBondContact O-CB 3.28Å; N187-A191 PolarHBondContact O-N 3.38Å |
| 188 | D | 77.1 | Confident | 73 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -37.4 | 172.7 | -71.8 | -15.9 | 0 | 0 | 0 | 111.1 | E184 L190 A191 T192 | E184-D188 WeakPolarHBondContact O-CB 3.48Å; E184-D188 VanDerWaalsContact O-CG 3.31Å; E184-D188 PolarHBondContact O-N 2.84Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.46Å; D188-A191 PolarHBondContact O-N 2.94Å; D188-T192 WeakPolarHBondContact O-CB 3.4Å; D188-T192 VanDerWaalsContact O-CG2 3.22Å; D188-T192 WeakPolarHBondContact O-CG2 3.41Å; D188-T192 PolarHBondContact O-N 3.22Å; D188-T192 PolarHBondContact O-OG1 3.5Å |
| 189 | A | 76.1 | Confident | 74.5 | Confident | 50 Ų | 50 | 104 Ų | 104 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E185 L186 N187 T192 K193 | E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 3.15Å; L186-A189 PolarHBondContact O-N 3.32Å; N187-A189 VanDerWaalsContact C-N 3.34Å; A189-T192 VanDerWaalsContact CA-OG1 3.27Å; A189-T192 WeakPolarHBondContact CA-OG1 3.31Å; A189-T192 PolarHBondContact O-OG1 2.93Å; A189-K193 VanDerWaalsContact O-CB 3.25Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.49Å |
| 190 | L | 77 | Confident | 75.8 | Confident | 97 Ų | 97 | 101.1 Ų | 101.1 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.8 | -39.7 | 173.9 | -74.7 | 171.7 | 0 | 0 | 0 | 112 | L186 N187 D188 K193 E194 | L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 2.85Å; N187-L190 PolarHBondContact O-N 2.87Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.46Å; L190-K193 PolarHBondContact O-N 2.97Å; L190-E194 PolarHBondContact O-N 3.37Å |
| 191 | A | 80 | Confident | 77 | Confident | 57 Ų | 57 | 100.2 Ų | 100.2 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N187 D188 K193 E194 E195 | N187-A191 WeakPolarHBondContact O-CB 3.28Å; N187-A191 PolarHBondContact O-N 3.38Å; D188-A191 PolarHBondContact O-N 2.94Å; A191-K193 VanDerWaalsContact C-N 3.31Å; A191-K193 PolarHBondContact O-N 2.82Å; A191-E194 PolarHBondContact O-N 3Å; A191-E195 WeakPolarHBondContact O-CB 3.36Å; A191-E195 PolarHBondContact O-N 3.46Å |
| 192 | T | 79.8 | Confident | 78.1 | Confident | 66 Ų | 66 | 99.8 Ų | 99.8 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -34.6 | 175.5 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | D188 A189 E195 I196 | D188-T192 WeakPolarHBondContact O-CB 3.4Å; D188-T192 VanDerWaalsContact O-CG2 3.22Å; D188-T192 WeakPolarHBondContact O-CG2 3.41Å; D188-T192 PolarHBondContact O-N 3.22Å; D188-T192 PolarHBondContact O-OG1 3.5Å; A189-T192 VanDerWaalsContact CA-OG1 3.27Å; A189-T192 WeakPolarHBondContact CA-OG1 3.31Å; A189-T192 PolarHBondContact O-OG1 2.93Å; T192-E195 PolarHBondContact O-N 3.3Å; T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CD1 3.32Å; T192-I196 WeakPolarHBondContact O-CG1 3.47Å; T192-I196 PolarHBondContact O-N 3.4Å |
| 193 | K | 80.6 | Confident | 79.2 | Confident | 143 Ų | 143 | 100.9 Ų | 100.9 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 172.5 | -178.4 | -173.3 | 171.8 | -170.4 | 0 | 112.1 | A189 L190 A191 E195 A197 | A189-K193 VanDerWaalsContact O-CB 3.25Å; A189-K193 WeakPolarHBondContact O-CB 3.36Å; A189-K193 PolarHBondContact O-N 3.49Å; L190-K193 PolarHBondContact O-N 2.97Å; A191-K193 VanDerWaalsContact C-N 3.31Å; A191-K193 PolarHBondContact O-N 2.82Å; K193-E195 VanDerWaalsContact C-N 3.34Å; K193-A197 WeakPolarHBondContact O-CB 3.39Å; K193-A197 PolarHBondContact O-N 2.93Å |
| 194 | E | 81.9 | Confident | 80.1 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 176.1 | -165.4 | 69 | -145.5 | 0 | 0 | 110.9 | L190 A191 A197 Q198 R201 | L190-E194 PolarHBondContact O-N 3.37Å; A191-E194 PolarHBondContact O-N 3Å; E194-A197 PolarHBondContact O-N 3.45Å; E194-Q198 WeakPolarHBondContact O-CB 3.42Å; E194-Q198 PolarHBondContact O-N 2.84Å; E194-R201 IonicContact OE1-NH2 3.91Å |
| 195 | E | 82.6 | Confident | 81 | Confident | 132 Ų | 132 | 101.4 Ų | 101.4 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -41.4 | 177.4 | -158.1 | 172 | -147.7 | 0 | 0 | 111.9 | A191 T192 K193 Q198 R199 | A191-E195 WeakPolarHBondContact O-CB 3.36Å; A191-E195 PolarHBondContact O-N 3.46Å; T192-E195 PolarHBondContact O-N 3.3Å; K193-E195 VanDerWaalsContact C-N 3.34Å; E195-Q198 PolarHBondContact O-N 3.47Å; E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 PolarHBondContact O-N 3.19Å |
| 196 | I | 81.6 | Confident | 81.8 | Confident | 108 Ų | 108 | 102.7 Ų | 102.7 | 55% | 0.554 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 171.5 | -70 | 165 | 0 | 0 | 0 | 110.4 | T192 Q198 R199 C200 | T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CD1 3.32Å; T192-I196 WeakPolarHBondContact O-CG1 3.47Å; T192-I196 PolarHBondContact O-N 3.4Å; I196-Q198 VanDerWaalsContact C-N 3.3Å; I196-Q198 PolarHBondContact O-N 3.2Å; I196-R199 PolarHBondContact O-N 2.93Å; I196-C200 WeakPolarHBondContact O-CB 3.49Å; I196-C200 PolarHBondContact O-N 3.26Å; I196-C200 PolarHBondContact O-SG 3.47Å |
| 197 | A | 81.8 | Confident | 82.6 | Confident | 41 Ų | 41 | 100.9 Ų | 100.9 | 34% | 0.339 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -32.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K193 E194 R201 | K193-A197 WeakPolarHBondContact O-CB 3.39Å; K193-A197 PolarHBondContact O-N 2.93Å; E194-A197 PolarHBondContact O-N 3.45Å; A197-R201 WeakPolarHBondContact O-CG 3.41Å; A197-R201 PolarHBondContact O-N 2.86Å; A197-R201 PolarHBondContact O-NE 2.9Å |
| 198 | Q | 84.4 | Confident | 83.4 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 172 | -169.6 | 170.7 | -10.4 | 0 | 0 | 110.9 | E194 E195 I196 C200 R201 E202 | E194-Q198 WeakPolarHBondContact O-CB 3.42Å; E194-Q198 PolarHBondContact O-N 2.84Å; E195-Q198 PolarHBondContact O-N 3.47Å; I196-Q198 VanDerWaalsContact C-N 3.3Å; I196-Q198 PolarHBondContact O-N 3.2Å; Q198-C200 VanDerWaalsContact C-N 3.32Å; Q198-C200 PolarHBondContact O-N 3.2Å; Q198-R201 WeakPolarHBondContact O-CB 3.45Å; Q198-R201 PolarHBondContact O-N 2.96Å; Q198-R201 VanDerWaalsContact O-N 3.12Å; Q198-E202 WeakPolarHBondContact O-CG 3.41Å; Q198-E202 PolarHBondContact O-N 3.48Å |
| 199 | R | 85.8 | Confident | 83.9 | Confident | 180 Ų | 180 | 96.4 Ų | 96.4 | 68% | 0.679 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -35.1 | 175.5 | -165 | 164.2 | -173.6 | 155.6 | 1.1 | 113.1 | E195 I196 E202 L203 | E195-R199 WeakPolarHBondContact O-CB 3.43Å; E195-R199 PolarHBondContact O-N 3.19Å; I196-R199 PolarHBondContact O-N 2.93Å; R199-E202 PolarHBondContact O-N 2.67Å; R199-L203 HydrophobicContact CG-CD1 4.45Å; R199-L203 WeakPolarHBondContact O-CB 3.35Å; R199-L203 WeakPolarHBondContact O-CG 3.31Å; R199-L203 PolarHBondContact O-N 2.97Å |
| 200 | C | 81 | Confident | 84.5 | Confident | 64 Ų | 64 | 98.7 Ų | 98.7 | 43% | 0.432 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 171.3 | -73.4 | 0 | 0 | 0 | 0 | 111.3 | I196 Q198 E202 L203 D204 | I196-C200 WeakPolarHBondContact O-CB 3.49Å; I196-C200 PolarHBondContact O-N 3.26Å; I196-C200 PolarHBondContact O-SG 3.47Å; Q198-C200 VanDerWaalsContact C-N 3.32Å; Q198-C200 PolarHBondContact O-N 3.2Å; C200-E202 VanDerWaalsContact C-N 3.34Å; C200-E202 PolarHBondContact O-N 3.45Å; C200-L203 PolarHBondContact O-N 3.45Å; C200-D204 VanDerWaalsContact O-CG 3.32Å; C200-D204 PolarHBondContact O-N 2.92Å |
| 201 | R | 85.4 | Confident | 85 | Confident | 135 Ų | 135 | 100.4 Ų | 100.4 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 175.6 | -75.6 | 179.7 | -82.6 | -178.3 | -6.4 | 112.5 | E194 A197 Q198 D204 L205 | E194-R201 IonicContact OE1-NH2 3.91Å; A197-R201 WeakPolarHBondContact O-CG 3.41Å; A197-R201 PolarHBondContact O-N 2.86Å; A197-R201 PolarHBondContact O-NE 2.9Å; Q198-R201 WeakPolarHBondContact O-CB 3.45Å; Q198-R201 PolarHBondContact O-N 2.96Å; Q198-R201 VanDerWaalsContact O-N 3.12Å; R201-D204 PolarHBondContact O-N 3.4Å; R201-L205 WeakPolarHBondContact O-CG 3.44Å; R201-L205 PolarHBondContact O-N 2.89Å |
| 202 | E | 88.1 | Confident | 85.5 | Confident | 109 Ų | 109 | 104 Ų | 104 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 175.4 | -74.3 | 170.8 | -173.7 | 0 | 0 | 111.8 | Q198 R199 C200 L205 Q206 | Q198-E202 WeakPolarHBondContact O-CG 3.41Å; Q198-E202 PolarHBondContact O-N 3.48Å; R199-E202 PolarHBondContact O-N 2.67Å; C200-E202 VanDerWaalsContact C-N 3.34Å; C200-E202 PolarHBondContact O-N 3.45Å; E202-L205 PolarHBondContact O-N 3.48Å; E202-Q206 WeakPolarHBondContact O-CB 3.38Å; E202-Q206 PolarHBondContact O-N 3.1Å |
| 203 | L | 86 | Confident | 85.9 | Confident | 89 Ų | 89 | 106.2 Ų | 106.2 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 174.2 | -80 | 165.7 | 0 | 0 | 0 | 111.9 | R199 C200 L205 Q206 V207 | R199-L203 HydrophobicContact CG-CD1 4.45Å; R199-L203 WeakPolarHBondContact O-CB 3.35Å; R199-L203 WeakPolarHBondContact O-CG 3.31Å; R199-L203 PolarHBondContact O-N 2.97Å; C200-L203 PolarHBondContact O-N 3.45Å; L203-L205 PolarHBondContact O-N 3.4Å; L203-Q206 PolarHBondContact O-N 3.48Å; L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 2.91Å |
| 204 | D | 86.6 | Confident | 86.3 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 176.3 | -72.4 | -29.7 | 0 | 0 | 0 | 111.6 | C200 R201 Q206 V207 A208 | C200-D204 VanDerWaalsContact O-CG 3.32Å; C200-D204 PolarHBondContact O-N 2.92Å; R201-D204 PolarHBondContact O-N 3.4Å; D204-Q206 VanDerWaalsContact C-N 3.34Å; D204-V207 PolarHBondContact O-N 3.36Å; D204-A208 PolarHBondContact O-N 3.42Å |
| 205 | L | 90 | Very high | 86.7 | Confident | 126 Ų | 126 | 103.7 Ų | 103.7 | 66% | 0.66 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 172.8 | -79.9 | 163.9 | 0 | 0 | 0 | 111.8 | R201 E202 L203 A208 A209 | R201-L205 WeakPolarHBondContact O-CG 3.44Å; R201-L205 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 3.48Å; L203-L205 PolarHBondContact O-N 3.4Å; L205-A208 PolarHBondContact O-N 3.37Å; L205-A209 PolarHBondContact O-N 2.83Å |
| 206 | Q | 88.6 | Confident | 87 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 178.2 | -169.1 | 170.6 | 40.3 | 0 | 0 | 111.9 | E202 L203 D204 A208 A209 L210 | E202-Q206 WeakPolarHBondContact O-CB 3.38Å; E202-Q206 PolarHBondContact O-N 3.1Å; L203-Q206 PolarHBondContact O-N 3.48Å; D204-Q206 VanDerWaalsContact C-N 3.34Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; Q206-A209 PolarHBondContact O-N 2.94Å; Q206-L210 HydrophobicContact CG-CD1 4.32Å; Q206-L210 WeakPolarHBondContact O-CB 3.26Å; Q206-L210 VanDerWaalsContact O-CG 3.29Å; Q206-L210 WeakPolarHBondContact O-CG 3.21Å; Q206-L210 PolarHBondContact O-N 3.17Å |
| 207 | V | 88 | Confident | 87.3 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.9 | 170 | 0 | 0 | 0 | 0 | 111 | L203 D204 L210 Q211 | L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 2.91Å; D204-V207 PolarHBondContact O-N 3.36Å; V207-L210 PolarHBondContact O-N 3.16Å; V207-Q211 WeakPolarHBondContact O-CB 3.4Å; V207-Q211 PolarHBondContact O-N 2.84Å |
| 208 | A | 88.8 | Confident | 87.7 | Confident | 50 Ų | 50 | 102.7 Ų | 102.7 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D204 L205 Q206 Q211 E212 | D204-A208 PolarHBondContact O-N 3.42Å; L205-A208 PolarHBondContact O-N 3.37Å; Q206-A208 VanDerWaalsContact C-N 3.35Å; A208-Q211 PolarHBondContact O-N 2.96Å; A208-E212 PolarHBondContact O-N 3.43Å |
| 209 | A | 88.5 | Confident | 88 | Confident | 54 Ų | 54 | 100.4 Ų | 100.4 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L205 Q206 Q211 E212 E213 | L205-A209 PolarHBondContact O-N 2.83Å; Q206-A209 PolarHBondContact O-N 2.94Å; A209-Q211 VanDerWaalsContact C-N 3.29Å; A209-Q211 PolarHBondContact O-N 3.48Å; A209-E212 PolarHBondContact O-N 2.89Å; A209-E213 PolarHBondContact O-N 3.02Å |
| 210 | L | 88.1 | Confident | 88.2 | Confident | 99 Ų | 99 | 97.2 Ų | 97.2 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -32.3 | 176.2 | -72.6 | 171.3 | 0 | 0 | 0 | 112.4 | Q206 V207 K214 | Q206-L210 HydrophobicContact CG-CD1 4.32Å; Q206-L210 WeakPolarHBondContact O-CB 3.26Å; Q206-L210 VanDerWaalsContact O-CG 3.29Å; Q206-L210 WeakPolarHBondContact O-CG 3.21Å; Q206-L210 PolarHBondContact O-N 3.17Å; V207-L210 PolarHBondContact O-N 3.16Å; L210-K214 VanDerWaalsContact O-CB 3.31Å; L210-K214 WeakPolarHBondContact O-CB 3.42Å; L210-K214 PolarHBondContact O-N 2.72Å |
| 211 | Q | 88.5 | Confident | 88.1 | Confident | 132 Ų | 132 | 98.4 Ų | 98.4 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -38.1 | 173.9 | -84.8 | 175.2 | -22.7 | 0 | 0 | 112.4 | V207 A208 A209 S215 | V207-Q211 WeakPolarHBondContact O-CB 3.4Å; V207-Q211 PolarHBondContact O-N 2.84Å; A208-Q211 PolarHBondContact O-N 2.96Å; A209-Q211 VanDerWaalsContact C-N 3.29Å; A209-Q211 PolarHBondContact O-N 3.48Å; Q211-S215 PolarHBondContact O-N 2.95Å; Q211-S215 PolarHBondContact O-OG 3.37Å |
| 212 | E | 89.5 | Confident | 88.2 | Confident | 134 Ų | 134 | 98.3 Ų | 98.3 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.6 | -38 | 174.2 | -172.4 | 174.3 | -167.6 | 0 | 0 | 112.2 | A208 A209 S215 S216 | A208-E212 PolarHBondContact O-N 3.43Å; A209-E212 PolarHBondContact O-N 2.89Å; E212-S215 PolarHBondContact O-N 3.26Å; E212-S215 PolarHBondContact O-OG 3.3Å; E212-S216 WeakPolarHBondContact O-CB 3.26Å; E212-S216 PolarHBondContact O-N 2.99Å; E212-S216 PolarHBondContact O-OG 3.38Å |
| 213 | E | 88.8 | Confident | 88.2 | Confident | 112 Ų | 112 | 97.1 Ų | 97.1 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 173.2 | -170.3 | -179.7 | 180 | 0 | 0 | 110.8 | A209 S215 S216 L217 | A209-E213 PolarHBondContact O-N 3.02Å; E213-S215 VanDerWaalsContact C-N 3.33Å; E213-S215 PolarHBondContact O-N 3.38Å; E213-S216 PolarHBondContact O-N 2.93Å; E213-L217 HydrophobicContact CG-CD1 4.16Å; E213-L217 HydrophobicContact CG-CG 4.46Å; E213-L217 WeakPolarHBondContact O-CB 3.46Å; E213-L217 WeakPolarHBondContact O-CG 3.49Å; E213-L217 PolarHBondContact O-N 3.44Å |
| 214 | K | 88.8 | Confident | 87.9 | Confident | 141 Ų | 141 | 97.3 Ų | 97.3 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 175.7 | -179.3 | -178.3 | 176.7 | -179.3 | 0 | 112.2 | L210 L218 | L210-K214 VanDerWaalsContact O-CB 3.31Å; L210-K214 WeakPolarHBondContact O-CB 3.42Å; L210-K214 PolarHBondContact O-N 2.72Å; K214-L218 HydrophobicContact CG-CD1 4.3Å; K214-L218 WeakPolarHBondContact O-CB 3.34Å; K214-L218 WeakPolarHBondContact O-CG 3.5Å; K214-L218 PolarHBondContact O-N 2.99Å |
| 215 | S | 88.9 | Confident | 87.5 | Confident | 68 Ų | 68 | 97 Ų | 97 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 178.3 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | Q211 E212 E213 L218 A219 | Q211-S215 PolarHBondContact O-N 2.95Å; Q211-S215 PolarHBondContact O-OG 3.37Å; E212-S215 PolarHBondContact O-N 3.26Å; E212-S215 PolarHBondContact O-OG 3.3Å; E213-S215 VanDerWaalsContact C-N 3.33Å; E213-S215 PolarHBondContact O-N 3.38Å; S215-L218 PolarHBondContact O-N 2.9Å; S215-A219 PolarHBondContact O-N 3.4Å |
| 216 | S | 89.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 97 Ų | 97 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | E212 E213 L218 A219 E220 | E212-S216 WeakPolarHBondContact O-CB 3.26Å; E212-S216 PolarHBondContact O-N 2.99Å; E212-S216 PolarHBondContact O-OG 3.38Å; E213-S216 PolarHBondContact O-N 2.93Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.87Å; S216-A219 WeakPolarHBondContact O-CB 3.39Å; S216-A219 PolarHBondContact O-N 3.3Å; S216-E220 PolarHBondContact O-N 2.95Å |
| 217 | L | 88.9 | Confident | 86.3 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 176.4 | -73.2 | 172.6 | 0 | 0 | 0 | 112.1 | E213 E220 N221 | E213-L217 HydrophobicContact CG-CD1 4.16Å; E213-L217 HydrophobicContact CG-CG 4.46Å; E213-L217 WeakPolarHBondContact O-CB 3.46Å; E213-L217 WeakPolarHBondContact O-CG 3.49Å; E213-L217 PolarHBondContact O-N 3.44Å; L217-E220 PolarHBondContact O-N 3.39Å; L217-N221 WeakPolarHBondContact O-CB 3.38Å; L217-N221 PolarHBondContact O-N 3.49Å |
| 218 | L | 90.5 | Very high | 85.3 | Confident | 103 Ų | 103 | 101.6 Ų | 101.6 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 174.8 | -79.1 | 169.8 | 0 | 0 | 0 | 112.3 | K214 S215 S216 N221 Q222 | K214-L218 HydrophobicContact CG-CD1 4.3Å; K214-L218 WeakPolarHBondContact O-CB 3.34Å; K214-L218 WeakPolarHBondContact O-CG 3.5Å; K214-L218 PolarHBondContact O-N 2.99Å; S215-L218 PolarHBondContact O-N 2.9Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.87Å; L218-N221 PolarHBondContact O-N 2.85Å; L218-Q222 PolarHBondContact O-N 3.22Å; L218-Q222 VanDerWaalsContact O-N 3.12Å |
| 219 | A | 89.3 | Confident | 84.3 | Confident | 50 Ų | 50 | 104.7 Ų | 104.7 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S215 S216 N221 Q222 V223 | S215-A219 PolarHBondContact O-N 3.4Å; S216-A219 WeakPolarHBondContact O-CB 3.39Å; S216-A219 PolarHBondContact O-N 3.3Å; A219-N221 VanDerWaalsContact C-N 3.32Å; A219-N221 PolarHBondContact O-N 3.45Å; A219-Q222 PolarHBondContact O-N 2.98Å; A219-V223 WeakPolarHBondContact O-CG2 3.5Å; A219-V223 PolarHBondContact O-N 2.87Å; A219-V223 VanDerWaalsContact O-N 3.13Å |
| 220 | E | 89.3 | Confident | 83 | Confident | 114 Ų | 114 | 108.8 Ų | 108.8 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 174.7 | -171.2 | 175.8 | -172 | 0 | 0 | 111.6 | S216 L217 Q222 V223 L224 | S216-E220 PolarHBondContact O-N 2.95Å; L217-E220 PolarHBondContact O-N 3.39Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 3.44Å; E220-V223 PolarHBondContact O-N 3.3Å; E220-L224 HydrophobicContact CG-CD1 4.27Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 2.96Å |
| 221 | N | 80.6 | Confident | 81.6 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.7 | -137.7 | -85.7 | 0 | 0 | 0 | 112.4 | L217 L218 A219 L224 M225 | L217-N221 WeakPolarHBondContact O-CB 3.38Å; L217-N221 PolarHBondContact O-N 3.49Å; L218-N221 PolarHBondContact O-N 2.85Å; A219-N221 VanDerWaalsContact C-N 3.32Å; A219-N221 PolarHBondContact O-N 3.45Å; N221-L224 PolarHBondContact O-N 3.36Å; N221-M225 PolarHBondContact O-N 3.42Å |
| 222 | Q | 86.8 | Confident | 80.1 | Confident | 133 Ų | 133 | 105.6 Ų | 105.6 | 62% | 0.621 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 174 | -77 | 179.6 | -10.8 | 0 | 0 | 111.9 | L218 A219 E220 L224 M225 E226 | L218-Q222 PolarHBondContact O-N 3.22Å; L218-Q222 VanDerWaalsContact O-N 3.12Å; A219-Q222 PolarHBondContact O-N 2.98Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 3.44Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 2.85Å; Q222-M225 PolarHBondContact O-N 3.23Å; Q222-E226 PolarHBondContact O-N 2.93Å |
| 223 | V | 87.4 | Confident | 78.4 | Confident | 84 Ų | 84 | 103.4 Ų | 103.4 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | A219 E220 E226 R227 | A219-V223 WeakPolarHBondContact O-CG2 3.5Å; A219-V223 PolarHBondContact O-N 2.87Å; A219-V223 VanDerWaalsContact O-N 3.13Å; E220-V223 PolarHBondContact O-N 3.3Å; V223-E226 PolarHBondContact O-N 2.86Å; V223-R227 PolarHBondContact O-N 3.38Å |
| 224 | L | 81.1 | Confident | 76.8 | Confident | 92 Ų | 92 | 102.3 Ų | 102.3 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.5 | -74.2 | 172.1 | 0 | 0 | 0 | 112 | E220 N221 Q222 R227 L228 | E220-L224 HydrophobicContact CG-CD1 4.27Å; E220-L224 WeakPolarHBondContact O-CG 3.32Å; E220-L224 PolarHBondContact O-N 2.96Å; N221-L224 PolarHBondContact O-N 3.36Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 2.85Å; L224-R227 PolarHBondContact O-N 2.93Å; L224-L228 PolarHBondContact O-N 2.84Å |
| 225 | M | 76.8 | Confident | 75.4 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 52% | 0.522 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 172.8 | -96.1 | -172.9 | -88.2 | 0 | 0 | 112.4 | N221 Q222 R227 L228 N229 | N221-M225 PolarHBondContact O-N 3.42Å; Q222-M225 PolarHBondContact O-N 3.23Å; M225-R227 VanDerWaalsContact C-N 3.35Å; M225-R227 PolarHBondContact O-N 3.43Å; M225-L228 PolarHBondContact O-N 2.9Å; M225-N229 PolarHBondContact O-N 2.83Å |
| 226 | E | 78 | Confident | 74.1 | Confident | 126 Ų | 126 | 104.8 Ų | 104.8 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.5 | -37.8 | 174.5 | -78 | -178.6 | 166.6 | 0 | 0 | 112.4 | Q222 V223 N229 Q230 | Q222-E226 PolarHBondContact O-N 2.93Å; V223-E226 PolarHBondContact O-N 2.86Å; E226-N229 PolarHBondContact O-N 3.27Å; E226-Q230 WeakPolarHBondContact O-CG 3.4Å; E226-Q230 PolarHBondContact O-N 3.36Å; E226-Q230 VanDerWaalsContact O-N 3.13Å |
| 227 | R | 75.6 | Confident | 72.7 | Confident | 175 Ų | 175 | 107.2 Ų | 107.2 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.5 | -38.7 | 172.4 | -93.9 | -170.6 | 177.5 | -164.5 | 1.6 | 112.9 | V223 L224 M225 Q230 S231 | V223-R227 PolarHBondContact O-N 3.38Å; L224-R227 PolarHBondContact O-N 2.93Å; M225-R227 VanDerWaalsContact C-N 3.35Å; M225-R227 PolarHBondContact O-N 3.43Å; R227-Q230 PolarHBondContact O-N 2.98Å; R227-S231 PolarHBondContact O-N 3.15Å; R227-S231 VanDerWaalsContact O-N 3.13Å; R227-S231 PolarHBondContact O-OG 3.31Å |
| 228 | L | 67.5 | Low | 71.6 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.3 | -46 | 176.7 | -170.4 | 68.4 | 0 | 0 | 0 | 110.4 | L224 M225 Q230 S231 D232 | L224-L228 PolarHBondContact O-N 2.84Å; M225-L228 PolarHBondContact O-N 2.9Å; L228-Q230 PolarHBondContact O-N 3.38Å; L228-S231 WeakPolarHBondContact O-CA 3.28Å; L228-S231 VanDerWaalsContact O-CB 3.22Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.06Å; L228-D232 PolarHBondContact O-N 2.87Å |
| 229 | N | 67.3 | Low | 70.8 | Confident | 115 Ų | 115 | 105.5 Ų | 105.5 | 62% | 0.615 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -26.8 | 175.8 | -73.6 | -13.4 | 0 | 0 | 0 | 113.4 | M225 E226 S231 | M225-N229 PolarHBondContact O-N 2.83Å; E226-N229 PolarHBondContact O-N 3.27Å; N229-S231 VanDerWaalsContact C-N 3.34Å |
| 230 | Q | 61.3 | Low | 70 | Confident | 141 Ų | 141 | 108.4 Ų | 108.4 | 66% | 0.659 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.1 | -22.3 | 171.3 | -70.9 | 171.7 | 21 | 0 | 0 | 112.8 | E226 R227 L228 D232 S233 | E226-Q230 WeakPolarHBondContact O-CG 3.4Å; E226-Q230 PolarHBondContact O-N 3.36Å; E226-Q230 VanDerWaalsContact O-N 3.13Å; R227-Q230 PolarHBondContact O-N 2.98Å; L228-Q230 PolarHBondContact O-N 3.38Å; Q230-D232 VanDerWaalsContact C-N 3.35Å; Q230-S233 VanDerWaalsContact O-CB 3.26Å; Q230-S233 WeakPolarHBondContact O-CB 3.39Å; Q230-S233 PolarHBondContact O-N 3.46Å |
| 231 | S | 59.7 | Low | 69.3 | Low | 58 Ų | 58 | 105.5 Ų | 105.5 | 41% | 0.406 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.2 | -23.3 | 179.9 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | R227 L228 N229 S233 I234 | R227-S231 PolarHBondContact O-N 3.15Å; R227-S231 VanDerWaalsContact O-N 3.13Å; R227-S231 PolarHBondContact O-OG 3.31Å; L228-S231 WeakPolarHBondContact O-CA 3.28Å; L228-S231 VanDerWaalsContact O-CB 3.22Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.06Å; N229-S231 VanDerWaalsContact C-N 3.34Å; S231-S233 PolarHBondContact O-N 2.98Å; S231-S233 VanDerWaalsContact O-N 3.08Å; S231-I234 WeakPolarHBondContact O-CB 3.3Å; S231-I234 VanDerWaalsContact O-CG1 3.31Å; S231-I234 WeakPolarHBondContact O-CG1 3.46Å; S231-I234 PolarHBondContact O-N 3.47Å; S231-I234 VanDerWaalsContact O-N 3.1Å |
| 232 | D | 55.8 | Low | 69.1 | Low | 105 Ų | 105 | 101.6 Ų | 101.6 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -62.8 | -11.6 | 171.6 | -71.4 | -16.5 | 0 | 0 | 0 | 113.1 | L228 Q230 I234 | L228-D232 PolarHBondContact O-N 2.87Å; Q230-D232 VanDerWaalsContact C-N 3.35Å; D232-I234 PolarHBondContact O-N 3.33Å |
| 233 | S | 54.5 | Low | 68.8 | Low | 89 Ų | 89 | 103.1 Ų | 103.1 | 62% | 0.622 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -67.8 | -8 | 170.1 | 174.6 | 0 | 0 | 0 | 0 | 114.2 | Q230 S231 | Q230-S233 VanDerWaalsContact O-CB 3.26Å; Q230-S233 WeakPolarHBondContact O-CB 3.39Å; Q230-S233 PolarHBondContact O-N 3.46Å; S231-S233 PolarHBondContact O-N 2.98Å; S231-S233 VanDerWaalsContact O-N 3.08Å |
| 234 | I | 56.1 | Low | 68.5 | Low | 88 Ų | 88 | 107.6 Ų | 107.6 | 45% | 0.451 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -81 | -14 | -177.1 | -64.6 | 169 | 0 | 0 | 0 | 112.3 | S231 D232 D236 | S231-I234 WeakPolarHBondContact O-CB 3.3Å; S231-I234 VanDerWaalsContact O-CG1 3.31Å; S231-I234 WeakPolarHBondContact O-CG1 3.46Å; S231-I234 PolarHBondContact O-N 3.47Å; S231-I234 VanDerWaalsContact O-N 3.1Å; D232-I234 PolarHBondContact O-N 3.33Å; I234-D236 VanDerWaalsContact C-N 3.26Å; I234-D236 PolarHBondContact O-N 3.47Å |
| 235 | E | 57.9 | Low | 68.6 | Low | 168 Ų | 168 | 108.3 Ų | 108.3 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -71.9 | -9.3 | -179.4 | -67.4 | -168.9 | 157.2 | 0 | 0 | 114.8 | I237 | E235-I237 PolarHBondContact O-N 2.95Š|
| 236 | D | 61.6 | Low | 69 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | trans | -80.5 | 98 | 175.1 | -170.7 | 1.2 | 0 | 0 | 0 | 111.8 | I234 N238 S239 | I234-D236 VanDerWaalsContact C-N 3.26Å; I234-D236 PolarHBondContact O-N 3.47Å; D236-N238 PolarHBondContact O-N 3.11Å; D236-N238 PolarHBondContact OD1-N 3.48Å; D236-S239 WeakPolarHBondContact O-CB 3.36Å; D236-S239 PolarHBondContact O-N 3.45Å | ||
| 237 | I | 61.2 | Low | 69.4 | Low | 119 Ų | 119 | 107.6 Ų | 107.6 | 61% | 0.61 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -23.9 | 178.6 | -70.7 | 165.8 | 0 | 0 | 0 | 113.2 | E235 R243 | E235-I237 PolarHBondContact O-N 2.95Å; I237-R243 WeakPolarHBondContact O-CG 3.28Å |
| 238 | N | 66.4 | Low | 70 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9 | -179.2 | -69.5 | -52.8 | 0 | 0 | 0 | 114.5 | D236 | D236-N238 PolarHBondContact O-N 3.11Å; D236-N238 PolarHBondContact OD1-N 3.48Å |
| 239 | S | 71.8 | Confident | 71 | Confident | 39 Ų | 39 | 102 Ų | 102 | 27% | 0.273 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -70.6 | 144.7 | 172.1 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | D236 A241 G242 R243 | D236-S239 WeakPolarHBondContact O-CB 3.36Å; D236-S239 PolarHBondContact O-N 3.45Å; S239-A241 PolarHBondContact O-N 3.4Å; S239-A241 VanDerWaalsContact O-N 3.1Å; S239-A241 PolarHBondContact OG-N 3.22Å; S239-G242 PolarHBondContact O-N 3.01Å; S239-R243 PolarHBondContact O-N 2.86Å |
| 240 | P | 73.8 | Confident | 72.1 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 72% | 0.721 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -52.5 | -29.4 | 171.4 | -26.8 | 34.7 | 0 | 0 | 0 | 113.9 | R244 | P240-R244 PolarHBondContact O-N 3.07Å |
| 241 | A | 74.2 | Confident | 73.6 | Confident | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.2 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S239 R244 H245 | S239-A241 PolarHBondContact O-N 3.4Å; S239-A241 VanDerWaalsContact O-N 3.1Å; S239-A241 PolarHBondContact OG-N 3.22Å; A241-R244 PolarHBondContact O-N 2.92Å; A241-H245 WeakPolarHBondContact O-CB 3.32Å; A241-H245 PolarHBondContact O-N 3.48Å |
| 242 | G | 75.9 | Confident | 75 | Confident | 7 Ų | 7 | 99.2 Ų | 99.2 | 7% | 0.072 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S239 H245 L246 | S239-G242 PolarHBondContact O-N 3.01Å; G242-H245 WeakPolarHBondContact O-CB 3.5Å; G242-H245 PolarHBondContact O-N 3.29Å; G242-L246 PolarHBondContact O-N 2.92Å |
| 243 | R | 80.1 | Confident | 76.8 | Confident | 165 Ų | 165 | 98.5 Ų | 98.5 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 174.4 | -68.5 | -169.8 | -174.9 | -159.8 | 0.8 | 113.2 | I237 S239 H245 Q247 | I237-R243 WeakPolarHBondContact O-CG 3.28Å; S239-R243 PolarHBondContact O-N 2.86Å; R243-H245 VanDerWaalsContact C-N 3.33Å; R243-Q247 WeakPolarHBondContact O-CB 3.43Å; R243-Q247 PolarHBondContact O-N 2.79Å |
| 244 | R | 81.7 | Confident | 78.7 | Confident | 179 Ų | 179 | 100 Ų | 100 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 174.6 | -177.2 | -176.5 | -72.1 | -171.1 | -2.8 | 110.7 | P240 A241 Q247 L248 | P240-R244 PolarHBondContact O-N 3.07Å; A241-R244 PolarHBondContact O-N 2.92Å; R244-Q247 PolarHBondContact O-N 3.28Å; R244-L248 HydrophobicContact CG-CD1 4.14Å; R244-L248 WeakPolarHBondContact O-CB 3.44Å; R244-L248 WeakPolarHBondContact O-CG 3.47Å; R244-L248 PolarHBondContact O-N 2.94Å |
| 245 | H | 83 | Confident | 80.5 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 176.3 | -174.8 | 66.5 | 0 | 0 | 0 | 111.6 | A241 G242 R243 Q247 L248 Q249 | A241-H245 WeakPolarHBondContact O-CB 3.32Å; A241-H245 PolarHBondContact O-N 3.48Å; G242-H245 WeakPolarHBondContact O-CB 3.5Å; G242-H245 PolarHBondContact O-N 3.29Å; R243-H245 VanDerWaalsContact C-N 3.33Å; H245-Q247 PolarHBondContact O-N 2.91Å; H245-L248 PolarHBondContact O-N 3.4Å; H245-Q249 WeakPolarHBondContact O-CB 3.49Å; H245-Q249 PolarHBondContact O-N 3.41Å |
| 246 | L | 85.1 | Confident | 82.3 | Confident | 92 Ų | 92 | 98 Ų | 98 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.5 | -174.6 | 65.4 | 0 | 0 | 0 | 112.5 | G242 Q249 T250 | G242-L246 PolarHBondContact O-N 2.92Å; L246-Q249 WeakPolarHBondContact O-CB 3.26Å; L246-Q249 PolarHBondContact O-N 3.48Å; L246-T250 PolarHBondContact O-N 2.86Å; L246-T250 PolarHBondContact O-OG1 3.42Å |
| 247 | Q | 86.8 | Confident | 83.8 | Confident | 124 Ų | 124 | 100.3 Ų | 100.3 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 176.5 | -174.6 | 177.2 | 21 | 0 | 0 | 112.2 | R243 R244 H245 Q249 Q251 | R243-Q247 WeakPolarHBondContact O-CB 3.43Å; R243-Q247 PolarHBondContact O-N 2.79Å; R244-Q247 PolarHBondContact O-N 3.28Å; H245-Q247 PolarHBondContact O-N 2.91Å; Q247-Q249 VanDerWaalsContact C-N 3.32Å; Q247-Q251 WeakPolarHBondContact O-CG 3.39Å; Q247-Q251 PolarHBondContact O-N 3.26Å |
| 248 | L | 87.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 100.1 Ų | 100.1 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 175.2 | -72.8 | 171.1 | 0 | 0 | 0 | 111.6 | R244 H245 Q251 L252 | R244-L248 HydrophobicContact CG-CD1 4.14Å; R244-L248 WeakPolarHBondContact O-CB 3.44Å; R244-L248 WeakPolarHBondContact O-CG 3.47Å; R244-L248 PolarHBondContact O-N 2.94Å; H245-L248 PolarHBondContact O-N 3.4Å; L248-Q251 PolarHBondContact O-N 2.83Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 2.83Å |
| 249 | Q | 88.2 | Confident | 86.6 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 175.3 | -175.2 | 178 | 4.9 | 0 | 0 | 111.7 | H245 L246 Q247 Q251 L252 E253 | H245-Q249 WeakPolarHBondContact O-CB 3.49Å; H245-Q249 PolarHBondContact O-N 3.41Å; L246-Q249 WeakPolarHBondContact O-CB 3.26Å; L246-Q249 PolarHBondContact O-N 3.48Å; Q247-Q249 VanDerWaalsContact C-N 3.32Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q249-Q251 PolarHBondContact O-N 3.16Å; Q249-L252 WeakPolarHBondContact O-CB 3.31Å; Q249-L252 PolarHBondContact O-N 2.87Å; Q249-L252 VanDerWaalsContact O-N 3.15Å; Q249-E253 WeakPolarHBondContact O-CG 3.18Å; Q249-E253 PolarHBondContact O-N 3.35Å |
| 250 | T | 90.5 | Very high | 87.7 | Confident | 60 Ų | 60 | 102.5 Ų | 102.5 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 175.5 | -55 | 0 | 0 | 0 | 0 | 112.1 | L246 E253 Q254 | L246-T250 PolarHBondContact O-N 2.86Å; L246-T250 PolarHBondContact O-OG1 3.42Å; T250-E253 PolarHBondContact O-N 3.04Å; T250-Q254 WeakPolarHBondContact O-CB 3.47Å; T250-Q254 WeakPolarHBondContact O-CG 3.34Å; T250-Q254 PolarHBondContact O-N 2.93Å |
| 251 | Q | 92.9 | Very high | 88.8 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 173 | -76.5 | -180 | -11.6 | 0 | 0 | 112.1 | Q247 L248 Q249 Q254 L255 | Q247-Q251 WeakPolarHBondContact O-CG 3.39Å; Q247-Q251 PolarHBondContact O-N 3.26Å; L248-Q251 PolarHBondContact O-N 2.83Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q249-Q251 PolarHBondContact O-N 3.16Å; Q251-Q254 PolarHBondContact O-N 3.27Å; Q251-L255 WeakPolarHBondContact O-CB 3.34Å; Q251-L255 VanDerWaalsContact O-CG 3.28Å; Q251-L255 WeakPolarHBondContact O-CG 3.45Å; Q251-L255 PolarHBondContact O-N 3.24Å |
| 252 | L | 90.4 | Very high | 89.8 | Confident | 106 Ų | 106 | 109.6 Ų | 109.6 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -44 | 173.7 | -81.5 | 166.3 | 0 | 0 | 0 | 111.4 | L248 Q249 L255 Q256 | L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 2.83Å; Q249-L252 WeakPolarHBondContact O-CB 3.31Å; Q249-L252 PolarHBondContact O-N 2.87Å; Q249-L252 VanDerWaalsContact O-N 3.15Å; L252-L255 PolarHBondContact O-N 3.36Å; L252-Q256 WeakPolarHBondContact O-CB 3.26Å; L252-Q256 VanDerWaalsContact O-CG 3.27Å; L252-Q256 WeakPolarHBondContact O-CG 3.17Å; L252-Q256 PolarHBondContact O-N 2.78Å |
| 253 | E | 93.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 114.1 Ų | 114.1 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.4 | -72.5 | 167.5 | -176.3 | 0 | 0 | 111.5 | Q249 T250 Q256 E257 | Q249-E253 WeakPolarHBondContact O-CG 3.18Å; Q249-E253 PolarHBondContact O-N 3.35Å; T250-E253 PolarHBondContact O-N 3.04Å; E253-Q256 WeakPolarHBondContact O-CB 3.25Å; E253-Q256 PolarHBondContact O-N 3.34Å; E253-E257 WeakPolarHBondContact O-CG 3.4Å; E253-E257 PolarHBondContact O-N 3.14Å |
| 254 | Q | 94.6 | Very high | 91.4 | Very high | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 175.7 | -75.3 | 175.8 | -4.9 | 0 | 0 | 112.7 | T250 Q251 Q256 E257 E258 | T250-Q254 WeakPolarHBondContact O-CB 3.47Å; T250-Q254 WeakPolarHBondContact O-CG 3.34Å; T250-Q254 PolarHBondContact O-N 2.93Å; Q251-Q254 PolarHBondContact O-N 3.27Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-E257 PolarHBondContact O-N 3.04Å; Q254-E258 WeakPolarHBondContact O-CB 3.41Å; Q254-E258 PolarHBondContact O-N 2.89Å |
| 255 | L | 93.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -35.3 | 176 | -73.6 | 171.8 | 0 | 0 | 0 | 111.6 | Q251 L252 T259 | Q251-L255 WeakPolarHBondContact O-CB 3.34Å; Q251-L255 VanDerWaalsContact O-CG 3.28Å; Q251-L255 WeakPolarHBondContact O-CG 3.45Å; Q251-L255 PolarHBondContact O-N 3.24Å; L252-L255 PolarHBondContact O-N 3.36Å; L255-T259 VanDerWaalsContact O-CB 3.32Å; L255-T259 WeakPolarHBondContact O-CB 3.48Å; L255-T259 PolarHBondContact O-N 2.83Å; L255-T259 PolarHBondContact O-OG1 3.48Å |
| 256 | Q | 94.9 | Very high | 92.7 | Very high | 113 Ų | 113 | 104.1 Ų | 104.1 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -47.6 | 173.2 | -78.8 | 176.3 | -13.5 | 0 | 0 | 111.3 | L252 E253 Q254 E258 T259 F260 | L252-Q256 WeakPolarHBondContact O-CB 3.26Å; L252-Q256 VanDerWaalsContact O-CG 3.27Å; L252-Q256 WeakPolarHBondContact O-CG 3.17Å; L252-Q256 PolarHBondContact O-N 2.78Å; E253-Q256 WeakPolarHBondContact O-CB 3.25Å; E253-Q256 PolarHBondContact O-N 3.34Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q256-E258 VanDerWaalsContact C-N 3.35Å; Q256-E258 PolarHBondContact O-N 3.45Å; Q256-T259 WeakPolarHBondContact O-CB 3.4Å; Q256-T259 PolarHBondContact O-N 2.86Å; Q256-F260 HydrophobicContact CB-CE2 4.43Å; Q256-F260 WeakPolarHBondContact O-CD2 3.29Å; Q256-F260 PolarHBondContact O-N 3.02Å |
| 257 | E | 94.7 | Very high | 93.3 | Very high | 141 Ų | 141 | 103.3 Ų | 103.3 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 175.6 | -74.3 | -177.2 | 179.2 | 0 | 0 | 112.4 | E253 Q254 T259 F260 R261 | E253-E257 WeakPolarHBondContact O-CG 3.4Å; E253-E257 PolarHBondContact O-N 3.14Å; Q254-E257 PolarHBondContact O-N 3.04Å; E257-T259 VanDerWaalsContact C-N 3.34Å; E257-F260 PolarHBondContact O-N 3.36Å; E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 PolarHBondContact O-N 3.36Å |
| 258 | E | 94.4 | Very high | 93.7 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 175.3 | -172.1 | 169.3 | -163.7 | 0 | 0 | 111.6 | Q254 Q256 R261 L262 | Q254-E258 WeakPolarHBondContact O-CB 3.41Å; Q254-E258 PolarHBondContact O-N 2.89Å; Q256-E258 VanDerWaalsContact C-N 3.35Å; Q256-E258 PolarHBondContact O-N 3.45Å; E258-R261 PolarHBondContact O-N 3.19Å; E258-L262 HydrophobicContact CG-CD1 4.14Å; E258-L262 HydrophobicContact CG-CG 4.46Å; E258-L262 WeakPolarHBondContact O-CB 3.08Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.24Å; E258-L262 PolarHBondContact O-N 2.89Å |
| 259 | T | 90.7 | Very high | 94.1 | Very high | 69 Ų | 69 | 106.8 Ų | 106.8 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 111 | L255 Q256 E257 R261 L262 E263 | L255-T259 VanDerWaalsContact O-CB 3.32Å; L255-T259 WeakPolarHBondContact O-CB 3.48Å; L255-T259 PolarHBondContact O-N 2.83Å; L255-T259 PolarHBondContact O-OG1 3.48Å; Q256-T259 WeakPolarHBondContact O-CB 3.4Å; Q256-T259 PolarHBondContact O-N 2.86Å; E257-T259 VanDerWaalsContact C-N 3.34Å; T259-R261 VanDerWaalsContact C-N 3.31Å; T259-R261 PolarHBondContact O-N 3.35Å; T259-L262 PolarHBondContact O-N 2.79Å; T259-E263 HydrophobicContact CG2-CG 4.49Å; T259-E263 WeakPolarHBondContact O-CB 3.38Å; T259-E263 WeakPolarHBondContact O-CG 3.18Å; T259-E263 PolarHBondContact O-N 2.91Å |
| 260 | F | 95.8 | Very high | 94.6 | Very high | 137 Ų | 137 | 108.8 Ų | 108.8 | 60% | 0.601 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -39.1 | 176.5 | -73.6 | -58.8 | 0 | 0 | 0 | 112.5 | Q256 E257 E263 A264 | Q256-F260 HydrophobicContact CB-CE2 4.43Å; Q256-F260 WeakPolarHBondContact O-CD2 3.29Å; Q256-F260 PolarHBondContact O-N 3.02Å; E257-F260 PolarHBondContact O-N 3.36Å; F260-E263 PolarHBondContact O-N 3.47Å; F260-A264 WeakPolarHBondContact O-CB 3.03Å; F260-A264 PolarHBondContact O-N 3.41Å |
| 261 | R | 97 | Very high | 94.9 | Very high | 204 Ų | 204 | 109.6 Ų | 109.6 | 77% | 0.77 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 177 | -173.5 | -179.2 | 177.4 | -176.7 | -1 | 112 | E257 E258 T259 A265 | E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 PolarHBondContact O-N 3.36Å; E258-R261 PolarHBondContact O-N 3.19Å; T259-R261 VanDerWaalsContact C-N 3.31Å; T259-R261 PolarHBondContact O-N 3.35Å; R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.97Å |
| 262 | L | 94.1 | Very high | 95.1 | Very high | 110 Ų | 110 | 110.9 Ų | 110.9 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.3 | -37.2 | 176.2 | -72.9 | 173.3 | 0 | 0 | 0 | 111.7 | E258 T259 A265 K266 | E258-L262 HydrophobicContact CG-CD1 4.14Å; E258-L262 HydrophobicContact CG-CG 4.46Å; E258-L262 WeakPolarHBondContact O-CB 3.08Å; E258-L262 VanDerWaalsContact O-CG 3.29Å; E258-L262 WeakPolarHBondContact O-CG 3.24Å; E258-L262 PolarHBondContact O-N 2.89Å; T259-L262 PolarHBondContact O-N 2.79Å; L262-A265 PolarHBondContact O-N 2.82Å; L262-K266 VanDerWaalsContact O-CB 3.26Å; L262-K266 WeakPolarHBondContact O-CB 3.4Å; L262-K266 PolarHBondContact O-N 2.9Å |
| 263 | E | 94.3 | Very high | 95.3 | Very high | 102 Ų | 102 | 109.2 Ų | 109.2 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 173.1 | -78.5 | 176.5 | 178.8 | 0 | 0 | 111.5 | T259 F260 A265 K266 D267 | T259-E263 HydrophobicContact CG2-CG 4.49Å; T259-E263 WeakPolarHBondContact O-CB 3.38Å; T259-E263 WeakPolarHBondContact O-CG 3.18Å; T259-E263 PolarHBondContact O-N 2.91Å; F260-E263 PolarHBondContact O-N 3.47Å; E263-A265 PolarHBondContact O-N 3.17Å; E263-K266 WeakPolarHBondContact O-CB 3.41Å; E263-K266 PolarHBondContact O-N 3.19Å; E263-D267 PolarHBondContact O-N 3.46Å |
| 264 | A | 95.7 | Very high | 95.5 | Very high | 53 Ų | 53 | 109.4 Ų | 109.4 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F260 K266 D267 D268 | F260-A264 WeakPolarHBondContact O-CB 3.03Å; F260-A264 PolarHBondContact O-N 3.41Å; A264-K266 VanDerWaalsContact C-N 3.32Å; A264-K266 PolarHBondContact O-N 2.98Å; A264-D267 PolarHBondContact O-N 2.92Å; A264-D268 PolarHBondContact O-N 2.9Å |
| 265 | A | 96.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 108 Ų | 108 | 30% | 0.298 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R261 L262 E263 D267 D268 Y269 | R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.97Å; L262-A265 PolarHBondContact O-N 2.82Å; E263-A265 PolarHBondContact O-N 3.17Å; A265-D267 VanDerWaalsContact C-N 3.35Å; A265-D268 PolarHBondContact O-N 3.27Å; A265-Y269 HydrophobicContact CB-CE2 4.5Å; A265-Y269 WeakPolarHBondContact O-CD2 3.37Å; A265-Y269 PolarHBondContact O-N 3.33Å |
| 266 | K | 96.3 | Very high | 95.8 | Very high | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.657 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 174.9 | 178.4 | -170.1 | 170 | -168 | 0 | 111.1 | L262 E263 A264 Y269 R270 | L262-K266 VanDerWaalsContact O-CB 3.26Å; L262-K266 WeakPolarHBondContact O-CB 3.4Å; L262-K266 PolarHBondContact O-N 2.9Å; E263-K266 WeakPolarHBondContact O-CB 3.41Å; E263-K266 PolarHBondContact O-N 3.19Å; A264-K266 VanDerWaalsContact C-N 3.32Å; A264-K266 PolarHBondContact O-N 2.98Å; K266-Y269 PolarHBondContact O-N 3.38Å; K266-R270 WeakPolarHBondContact O-CB 3.36Å; K266-R270 PolarHBondContact O-N 2.76Å |
| 267 | D | 96.6 | Very high | 95.8 | Very high | 76 Ų | 76 | 107.4 Ų | 107.4 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 176.4 | -80.4 | -30 | 0 | 0 | 0 | 112.2 | E263 A264 A265 Y269 R270 I271 | E263-D267 PolarHBondContact O-N 3.46Å; A264-D267 PolarHBondContact O-N 2.92Å; A265-D267 VanDerWaalsContact C-N 3.35Å; D267-Y269 PolarHBondContact O-N 2.75Å; D267-R270 WeakPolarHBondContact O-CB 3.49Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 IonicContact OD1-NE 2.79Å; D267-R270 IonicContact OD1-NH2 3.53Å; D267-I271 WeakPolarHBondContact O-CG1 3.25Å; D267-I271 PolarHBondContact O-N 2.76Å |
| 268 | D | 96.9 | Very high | 96 | Very high | 112 Ų | 112 | 107.2 Ų | 107.2 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -44 | 173.5 | -72.2 | -21.1 | 0 | 0 | 0 | 111.7 | A264 A265 I271 R272 | A264-D268 PolarHBondContact O-N 2.9Å; A265-D268 PolarHBondContact O-N 3.27Å; D268-I271 PolarHBondContact O-N 2.81Å; D268-R272 WeakPolarHBondContact O-CB 3.5Å; D268-R272 PolarHBondContact O-N 3.47Å |
| 269 | Y | 96.2 | Very high | 96.1 | Very high | 173 Ų | 173 | 106.5 Ų | 106.5 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -38.1 | 175.2 | -75.2 | -56.1 | 0 | 0 | 0 | 112.3 | A265 K266 D267 R272 C273 | A265-Y269 HydrophobicContact CB-CE2 4.5Å; A265-Y269 WeakPolarHBondContact O-CD2 3.37Å; A265-Y269 PolarHBondContact O-N 3.33Å; K266-Y269 PolarHBondContact O-N 3.38Å; D267-Y269 PolarHBondContact O-N 2.75Å; Y269-R272 PolarHBondContact O-N 2.6Å; Y269-C273 PolarHBondContact O-N 2.99Å; Y269-C273 PolarHBondContact O-SG 2.95Å; Y269-C273 VanDerWaalsContact O-SG 3.35Å |
| 270 | R | 97.9 | Very high | 96.3 | Very high | 126 Ų | 126 | 107.8 Ų | 107.8 | 48% | 0.475 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 175.6 | -177.3 | 178.5 | 67.1 | 90.8 | -3.9 | 111.1 | K266 D267 R272 C273 E274 | K266-R270 WeakPolarHBondContact O-CB 3.36Å; K266-R270 PolarHBondContact O-N 2.76Å; D267-R270 WeakPolarHBondContact O-CB 3.49Å; D267-R270 PolarHBondContact O-N 3.46Å; D267-R270 IonicContact OD1-NE 2.79Å; D267-R270 IonicContact OD1-NH2 3.53Å; R270-R272 VanDerWaalsContact C-N 3.3Å; R270-R272 PolarHBondContact O-N 2.83Å; R270-C273 WeakPolarHBondContact O-CB 3.45Å; R270-C273 PolarHBondContact O-N 3.35Å; R270-E274 WeakPolarHBondContact CG-OE1 3.36Å; R270-E274 IonicContact CZ-OE1 2.84Å; R270-E274 IonicContact NH1-OE1 3.74Å; R270-E274 PolarHBondContact NH1-OE1 3.44Å; R270-E274 IonicContact NH1-OE2 2.85Å; R270-E274 WeakPolarHBondContact O-CG 3.32Å; R270-E274 PolarHBondContact O-N 3.42Å |
| 271 | I | 97.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 106.6 Ų | 106.6 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.4 | -66.5 | 166.6 | 0 | 0 | 0 | 110.1 | D267 D268 C273 E274 E275 | D267-I271 WeakPolarHBondContact O-CG1 3.25Å; D267-I271 PolarHBondContact O-N 2.76Å; D268-I271 PolarHBondContact O-N 2.81Å; I271-C273 VanDerWaalsContact C-N 3.32Å; I271-C273 PolarHBondContact O-N 3.45Å; I271-E274 PolarHBondContact O-N 3.43Å; I271-E275 HydrophobicContact CG2-CG 4.45Å; I271-E275 WeakPolarHBondContact O-CG 3.41Å; I271-E275 PolarHBondContact O-N 3.44Å |
| 272 | R | 96.9 | Very high | 96.4 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 178.7 | -171.8 | 60.1 | -176.8 | 161 | 8.3 | 112.9 | D268 Y269 R270 E275 L276 | D268-R272 WeakPolarHBondContact O-CB 3.5Å; D268-R272 PolarHBondContact O-N 3.47Å; Y269-R272 PolarHBondContact O-N 2.6Å; R270-R272 VanDerWaalsContact C-N 3.3Å; R270-R272 PolarHBondContact O-N 2.83Å; R272-E275 IonicContact CZ-OE2 3.55Å; R272-E275 IonicContact NH1-OE2 3.97Å; R272-E275 PolarHBondContact NH1-OE2 2.8Å; R272-L276 HydrophobicContact CG-CD1 4.28Å; R272-L276 WeakPolarHBondContact O-CB 3.49Å; R272-L276 VanDerWaalsContact O-CG 3.29Å; R272-L276 WeakPolarHBondContact O-CG 3.24Å; R272-L276 PolarHBondContact O-N 3.42Å |
| 273 | C | 94.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 100 Ų | 100 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 172.8 | -74.6 | 0 | 0 | 0 | 0 | 111.3 | Y269 R270 I271 E275 L276 E277 | Y269-C273 PolarHBondContact O-N 2.99Å; Y269-C273 PolarHBondContact O-SG 2.95Å; Y269-C273 VanDerWaalsContact O-SG 3.35Å; R270-C273 WeakPolarHBondContact O-CB 3.45Å; R270-C273 PolarHBondContact O-N 3.35Å; I271-C273 VanDerWaalsContact C-N 3.32Å; I271-C273 PolarHBondContact O-N 3.45Å; C273-E275 VanDerWaalsContact C-N 3.32Å; C273-E275 PolarHBondContact O-N 2.88Å; C273-L276 PolarHBondContact O-N 3.03Å; C273-E277 WeakPolarHBondContact O-CB 3.22Å; C273-E277 WeakPolarHBondContact O-CG 3.19Å; C273-E277 PolarHBondContact O-N 3.48Å |
| 274 | E | 96.7 | Very high | 96.7 | Very high | 95 Ų | 95 | 100.7 Ų | 100.7 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 176.8 | -69.7 | 170.1 | -166.6 | 0 | 0 | 111.8 | R270 I271 K278 | R270-E274 WeakPolarHBondContact CG-OE1 3.36Å; R270-E274 IonicContact CZ-OE1 2.84Å; R270-E274 IonicContact NH1-OE1 3.74Å; R270-E274 PolarHBondContact NH1-OE1 3.44Å; R270-E274 IonicContact NH1-OE2 2.85Å; R270-E274 WeakPolarHBondContact O-CG 3.32Å; R270-E274 PolarHBondContact O-N 3.42Å; I271-E274 PolarHBondContact O-N 3.43Å; E274-K278 WeakPolarHBondContact O-CB 3.42Å; E274-K278 PolarHBondContact O-N 3.38Å |
| 275 | E | 96.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 42% | 0.416 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 174 | -73.9 | 177.4 | 170.7 | 0 | 0 | 112.5 | I271 R272 C273 E277 K278 E279 | I271-E275 HydrophobicContact CG2-CG 4.45Å; I271-E275 WeakPolarHBondContact O-CG 3.41Å; I271-E275 PolarHBondContact O-N 3.44Å; R272-E275 IonicContact CZ-OE2 3.55Å; R272-E275 IonicContact NH1-OE2 3.97Å; R272-E275 PolarHBondContact NH1-OE2 2.8Å; C273-E275 VanDerWaalsContact C-N 3.32Å; C273-E275 PolarHBondContact O-N 2.88Å; E275-E277 VanDerWaalsContact C-N 3.34Å; E275-E277 PolarHBondContact O-N 3.1Å; E275-K278 WeakPolarHBondContact O-CB 3.42Å; E275-K278 PolarHBondContact O-N 3.08Å; E275-E279 WeakPolarHBondContact O-CG 3.45Å; E275-E279 PolarHBondContact O-N 2.94Å |
| 276 | L | 96.3 | Very high | 96.8 | Very high | 80 Ų | 80 | 104.6 Ų | 104.6 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 179.1 | -74.3 | 171.8 | 0 | 0 | 0 | 111.9 | R272 C273 K278 E279 L280 | R272-L276 HydrophobicContact CG-CD1 4.28Å; R272-L276 WeakPolarHBondContact O-CB 3.49Å; R272-L276 VanDerWaalsContact O-CG 3.29Å; R272-L276 WeakPolarHBondContact O-CG 3.24Å; R272-L276 PolarHBondContact O-N 3.42Å; C273-L276 PolarHBondContact O-N 3.03Å; L276-K278 VanDerWaalsContact C-N 3.32Å; L276-E279 PolarHBondContact O-N 3.21Å; L276-L280 WeakPolarHBondContact O-CB 3.23Å; L276-L280 PolarHBondContact O-N 2.76Å |
| 277 | E | 96.7 | Very high | 96.8 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 173.3 | -77.3 | 175.4 | -177.1 | 0 | 0 | 111.3 | C273 E275 L280 L281 | C273-E277 WeakPolarHBondContact O-CB 3.22Å; C273-E277 WeakPolarHBondContact O-CG 3.19Å; C273-E277 PolarHBondContact O-N 3.48Å; E275-E277 VanDerWaalsContact C-N 3.34Å; E275-E277 PolarHBondContact O-N 3.1Å; E277-L280 PolarHBondContact O-N 3.19Å; E277-L281 WeakPolarHBondContact O-CG 3.29Å; E277-L281 PolarHBondContact O-N 3.33Å |
| 278 | K | 97.8 | Very high | 96.8 | Very high | 137 Ų | 137 | 105 Ų | 105 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -47.7 | 174.8 | -173.2 | -178.1 | 175.9 | -175.4 | 0 | 112.1 | E274 E275 L276 L280 L281 D282 | E274-K278 WeakPolarHBondContact O-CB 3.42Å; E274-K278 PolarHBondContact O-N 3.38Å; E275-K278 WeakPolarHBondContact O-CB 3.42Å; E275-K278 PolarHBondContact O-N 3.08Å; L276-K278 VanDerWaalsContact C-N 3.32Å; K278-L280 PolarHBondContact O-N 2.89Å; K278-L281 PolarHBondContact O-N 2.86Å; K278-D282 PolarHBondContact O-N 3.26Å |
| 279 | E | 97.1 | Very high | 96.8 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 175.4 | -73.5 | 176.5 | -172.7 | 0 | 0 | 111.3 | E275 L276 D282 V283 | E275-E279 WeakPolarHBondContact O-CG 3.45Å; E275-E279 PolarHBondContact O-N 2.94Å; L276-E279 PolarHBondContact O-N 3.21Å; E279-D282 PolarHBondContact O-N 2.86Å; E279-V283 WeakPolarHBondContact O-CB 3.1Å; E279-V283 VanDerWaalsContact O-CG2 3.26Å; E279-V283 WeakPolarHBondContact O-CG2 3.5Å; E279-V283 PolarHBondContact O-N 2.88Å |
| 280 | L | 95.2 | Very high | 96.8 | Very high | 95 Ų | 95 | 102.4 Ų | 102.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 177.7 | -173.2 | 150.3 | 0 | 0 | 0 | 112 | L276 E277 K278 K284 | L276-L280 WeakPolarHBondContact O-CB 3.23Å; L276-L280 PolarHBondContact O-N 2.76Å; E277-L280 PolarHBondContact O-N 3.19Å; K278-L280 PolarHBondContact O-N 2.89Å; L280-K284 HydrophobicContact CD2-CD 3.78Å; L280-K284 HydrophobicContact CD2-CG 4.37Å; L280-K284 WeakPolarHBondContact O-CB 3.22Å; L280-K284 VanDerWaalsContact O-CG 3.31Å; L280-K284 WeakPolarHBondContact O-CG 3.4Å; L280-K284 PolarHBondContact O-N 3.33Å |
| 281 | L | 97.5 | Very high | 96.8 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | 172.9 | -78.6 | 166.7 | 0 | 0 | 0 | 111.8 | E277 K278 V283 K284 S285 | E277-L281 WeakPolarHBondContact O-CG 3.29Å; E277-L281 PolarHBondContact O-N 3.33Å; K278-L281 PolarHBondContact O-N 2.86Å; L281-V283 VanDerWaalsContact C-N 3.34Å; L281-V283 PolarHBondContact O-N 3.5Å; L281-K284 PolarHBondContact O-N 3.34Å; L281-S285 PolarHBondContact O-N 3.4Å |
| 282 | D | 97.4 | Very high | 96.8 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 178.4 | -70.9 | -16.2 | 0 | 0 | 0 | 110.8 | K278 E279 S285 Q286 | K278-D282 PolarHBondContact O-N 3.26Å; E279-D282 PolarHBondContact O-N 2.86Å; D282-S285 PolarHBondContact O-N 3.27Å; D282-Q286 WeakPolarHBondContact O-CG 3.47Å; D282-Q286 PolarHBondContact O-N 3.28Å |
| 283 | V | 96.4 | Very high | 96.8 | Very high | 92 Ų | 92 | 99 Ų | 99 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -38 | 176 | 171 | 0 | 0 | 0 | 0 | 111.8 | E279 L281 Q286 N287 | E279-V283 WeakPolarHBondContact O-CB 3.1Å; E279-V283 VanDerWaalsContact O-CG2 3.26Å; E279-V283 WeakPolarHBondContact O-CG2 3.5Å; E279-V283 PolarHBondContact O-N 2.88Å; L281-V283 VanDerWaalsContact C-N 3.34Å; L281-V283 PolarHBondContact O-N 3.5Å; V283-Q286 PolarHBondContact O-N 3.06Å; V283-N287 WeakPolarHBondContact O-CB 3.44Å; V283-N287 PolarHBondContact O-N 3.46Å |
| 284 | K | 97.1 | Very high | 96.8 | Very high | 117 Ų | 117 | 98.3 Ų | 98.3 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 174.3 | -81.4 | 179.4 | 176.5 | 175.2 | 0 | 111.6 | L280 L281 Q286 N287 E288 | L280-K284 HydrophobicContact CD2-CD 3.78Å; L280-K284 HydrophobicContact CD2-CG 4.37Å; L280-K284 WeakPolarHBondContact O-CB 3.22Å; L280-K284 VanDerWaalsContact O-CG 3.31Å; L280-K284 WeakPolarHBondContact O-CG 3.4Å; L280-K284 PolarHBondContact O-N 3.33Å; L281-K284 PolarHBondContact O-N 3.34Å; K284-Q286 VanDerWaalsContact C-N 3.32Å; K284-Q286 PolarHBondContact O-N 2.88Å; K284-N287 WeakPolarHBondContact O-CB 3.49Å; K284-N287 PolarHBondContact O-N 2.91Å; K284-N287 VanDerWaalsContact O-N 3.09Å; K284-E288 WeakPolarHBondContact O-CG 3.48Å; K284-E288 PolarHBondContact O-N 2.89Å |
| 285 | S | 97.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 99 Ų | 99 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 176 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | L281 D282 N287 E288 E289 | L281-S285 PolarHBondContact O-N 3.4Å; D282-S285 PolarHBondContact O-N 3.27Å; S285-N287 VanDerWaalsContact C-N 3.3Å; S285-N287 PolarHBondContact O-N 3.12Å; S285-E288 PolarHBondContact O-N 2.74Å; S285-E289 WeakPolarHBondContact O-CG 3.31Å; S285-E289 PolarHBondContact O-N 3.35Å |
| 286 | Q | 97.5 | Very high | 96.8 | Very high | 117 Ų | 117 | 100 Ų | 100 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 176 | -73.9 | 176.9 | 7.7 | 0 | 0 | 112.5 | D282 V283 K284 L290 | D282-Q286 WeakPolarHBondContact O-CG 3.47Å; D282-Q286 PolarHBondContact O-N 3.28Å; V283-Q286 PolarHBondContact O-N 3.06Å; K284-Q286 VanDerWaalsContact C-N 3.32Å; K284-Q286 PolarHBondContact O-N 2.88Å; Q286-L290 WeakPolarHBondContact O-CB 3.39Å; Q286-L290 VanDerWaalsContact O-CG 3.24Å; Q286-L290 WeakPolarHBondContact O-CG 3.28Å; Q286-L290 PolarHBondContact O-N 2.82Å |
| 287 | N | 94.8 | Very high | 96.8 | Very high | 100 Ų | 100 | 99 Ų | 99 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.4 | -37.8 | 177.9 | -162.7 | 10.3 | 0 | 0 | 0 | 111.9 | V283 K284 S285 L290 T291 | V283-N287 WeakPolarHBondContact O-CB 3.44Å; V283-N287 PolarHBondContact O-N 3.46Å; K284-N287 WeakPolarHBondContact O-CB 3.49Å; K284-N287 PolarHBondContact O-N 2.91Å; K284-N287 VanDerWaalsContact O-N 3.09Å; S285-N287 VanDerWaalsContact C-N 3.3Å; S285-N287 PolarHBondContact O-N 3.12Å; N287-L290 PolarHBondContact O-N 3.39Å; N287-T291 WeakPolarHBondContact O-CB 3.35Å; N287-T291 PolarHBondContact O-N 3.18Å; N287-T291 PolarHBondContact O-OG1 3.16Å |
| 288 | E | 97.1 | Very high | 96.8 | Very high | 135 Ų | 135 | 97.4 Ų | 97.4 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 172.9 | -72.4 | 170.3 | -169.3 | 0 | 0 | 111.3 | K284 S285 T291 S292 | K284-E288 WeakPolarHBondContact O-CG 3.48Å; K284-E288 PolarHBondContact O-N 2.89Å; S285-E288 PolarHBondContact O-N 2.74Å; E288-T291 PolarHBondContact O-N 2.86Å; E288-S292 PolarHBondContact O-N 3.32Å |
| 289 | E | 97.4 | Very high | 96.8 | Very high | 117 Ų | 117 | 93.8 Ų | 93.8 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 173.9 | -73.1 | 174.6 | -162.9 | 0 | 0 | 112.1 | S285 T291 S292 L293 | S285-E289 WeakPolarHBondContact O-CG 3.31Å; S285-E289 PolarHBondContact O-N 3.35Å; E289-T291 VanDerWaalsContact C-N 3.3Å; E289-T291 PolarHBondContact O-N 3.37Å; E289-S292 PolarHBondContact O-N 3.43Å; E289-L293 WeakPolarHBondContact O-CB 3.13Å; E289-L293 WeakPolarHBondContact O-CG 3.5Å; E289-L293 PolarHBondContact O-N 3.39Å |
| 290 | L | 96.3 | Very high | 96.7 | Very high | 115 Ų | 115 | 93.2 Ų | 93.2 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -36.4 | 176.4 | -75 | 172.4 | 0 | 0 | 0 | 112.2 | Q286 N287 A294 | Q286-L290 WeakPolarHBondContact O-CB 3.39Å; Q286-L290 VanDerWaalsContact O-CG 3.24Å; Q286-L290 WeakPolarHBondContact O-CG 3.28Å; Q286-L290 PolarHBondContact O-N 2.82Å; N287-L290 PolarHBondContact O-N 3.39Å; L290-A294 WeakPolarHBondContact O-CB 2.92Å; L290-A294 PolarHBondContact O-N 2.96Å |
| 291 | T | 97 | Very high | 96.8 | Very high | 70 Ų | 70 | 94.3 Ų | 94.3 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | N287 E288 E289 L293 A294 D295 | N287-T291 WeakPolarHBondContact O-CB 3.35Å; N287-T291 PolarHBondContact O-N 3.18Å; N287-T291 PolarHBondContact O-OG1 3.16Å; E288-T291 PolarHBondContact O-N 2.86Å; E289-T291 VanDerWaalsContact C-N 3.3Å; E289-T291 PolarHBondContact O-N 3.37Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 2.98Å; T291-A294 WeakPolarHBondContact O-CB 3.46Å; T291-A294 PolarHBondContact O-N 2.99Å; T291-A294 VanDerWaalsContact O-N 3.1Å; T291-D295 PolarHBondContact O-N 3.35Å |
| 292 | S | 97.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 92.8 Ų | 92.8 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | E288 E289 D295 E296 | E288-S292 PolarHBondContact O-N 3.32Å; E289-S292 PolarHBondContact O-N 3.43Å; S292-D295 PolarHBondContact O-N 3.34Å; S292-E296 PolarHBondContact O-N 3.37Å |
| 293 | L | 97.3 | Very high | 96.8 | Very high | 101 Ų | 101 | 94.1 Ų | 94.1 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 175.8 | -75.9 | 168.4 | 0 | 0 | 0 | 112.3 | E289 T291 A297 | E289-L293 WeakPolarHBondContact O-CB 3.13Å; E289-L293 WeakPolarHBondContact O-CG 3.5Å; E289-L293 PolarHBondContact O-N 3.39Å; T291-L293 VanDerWaalsContact C-N 3.31Å; T291-L293 PolarHBondContact O-N 2.98Å; L293-A297 VanDerWaalsContact O-CB 3.3Å; L293-A297 WeakPolarHBondContact O-CB 3.42Å; L293-A297 PolarHBondContact O-N 3.05Å |
| 294 | A | 95.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 94.9 Ų | 94.9 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L290 T291 A297 Q298 | L290-A294 WeakPolarHBondContact O-CB 2.92Å; L290-A294 PolarHBondContact O-N 2.96Å; T291-A294 WeakPolarHBondContact O-CB 3.46Å; T291-A294 PolarHBondContact O-N 2.99Å; T291-A294 VanDerWaalsContact O-N 3.1Å; A294-A297 PolarHBondContact O-N 3.47Å; A294-Q298 WeakPolarHBondContact O-CB 3.47Å; A294-Q298 PolarHBondContact O-N 3.31Å |
| 295 | D | 96.9 | Very high | 96.8 | Very high | 108 Ų | 108 | 92.3 Ų | 92.3 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 175.6 | -69.6 | -21.3 | 0 | 0 | 0 | 111.4 | T291 S292 Q298 S299 | T291-D295 PolarHBondContact O-N 3.35Å; S292-D295 PolarHBondContact O-N 3.34Å; D295-Q298 PolarHBondContact O-N 3.06Å; D295-S299 PolarHBondContact O-N 3.2Å |
| 296 | E | 97.3 | Very high | 96.8 | Very high | 110 Ų | 110 | 94.5 Ų | 94.5 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174 | -172.9 | -179.3 | 179.1 | 0 | 0 | 111.5 | S292 Q298 S299 L300 | S292-E296 PolarHBondContact O-N 3.37Å; E296-Q298 VanDerWaalsContact C-N 3.25Å; E296-Q298 PolarHBondContact O-N 2.9Å; E296-S299 PolarHBondContact O-N 3.46Å; E296-L300 HydrophobicContact CG-CD1 4.26Å; E296-L300 WeakPolarHBondContact O-CB 3.29Å; E296-L300 WeakPolarHBondContact O-CG 3.36Å; E296-L300 PolarHBondContact O-N 2.97Å |
| 297 | A | 95.7 | Very high | 96.7 | Very high | 60 Ų | 60 | 94.1 Ų | 94.1 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L293 A294 K301 | L293-A297 VanDerWaalsContact O-CB 3.3Å; L293-A297 WeakPolarHBondContact O-CB 3.42Å; L293-A297 PolarHBondContact O-N 3.05Å; A294-A297 PolarHBondContact O-N 3.47Å; A297-K301 WeakPolarHBondContact O-CB 3.46Å; A297-K301 PolarHBondContact O-N 2.98Å |
| 298 | Q | 97 | Very high | 96.8 | Very high | 89 Ų | 89 | 96.6 Ų | 96.6 | 42% | 0.416 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.5 | -43.3 | 175.6 | -174.4 | 56.4 | 38.2 | 0 | 0 | 111.5 | A294 D295 E296 L300 K301 D302 | A294-Q298 WeakPolarHBondContact O-CB 3.47Å; A294-Q298 PolarHBondContact O-N 3.31Å; D295-Q298 PolarHBondContact O-N 3.06Å; E296-Q298 VanDerWaalsContact C-N 3.25Å; E296-Q298 PolarHBondContact O-N 2.9Å; Q298-L300 PolarHBondContact O-N 2.84Å; Q298-K301 WeakPolarHBondContact O-CB 3.31Å; Q298-K301 PolarHBondContact O-N 2.92Å; Q298-D302 PolarHBondContact NE2-OD1 3.49Å; Q298-D302 VanDerWaalsContact NE2-OD1 3.09Å; Q298-D302 PolarHBondContact O-N 2.87Å |
| 299 | S | 96.2 | Very high | 96.8 | Very high | 62 Ų | 62 | 97.1 Ų | 97.1 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 174 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | D295 E296 K301 D302 E303 | D295-S299 PolarHBondContact O-N 3.2Å; E296-S299 PolarHBondContact O-N 3.46Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.25Å; S299-D302 PolarHBondContact O-N 3.1Å; S299-E303 PolarHBondContact O-N 3.45Å |
| 300 | L | 96.3 | Very high | 96.7 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 176.9 | -72.6 | 173.4 | 0 | 0 | 0 | 112.1 | E296 Q298 M304 | E296-L300 HydrophobicContact CG-CD1 4.26Å; E296-L300 WeakPolarHBondContact O-CB 3.29Å; E296-L300 WeakPolarHBondContact O-CG 3.36Å; E296-L300 PolarHBondContact O-N 2.97Å; Q298-L300 PolarHBondContact O-N 2.84Å; L300-M304 WeakPolarHBondContact O-CB 3.45Å; L300-M304 VanDerWaalsContact O-CG 3.31Å; L300-M304 WeakPolarHBondContact O-CG 3.4Å; L300-M304 PolarHBondContact O-N 2.89Å |
| 301 | K | 97.7 | Very high | 96.7 | Very high | 117 Ų | 117 | 91.9 Ų | 91.9 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 175 | -177.7 | -177.2 | 173.6 | -170.3 | 0 | 111.6 | A297 Q298 S299 E303 M304 D305 | A297-K301 WeakPolarHBondContact O-CB 3.46Å; A297-K301 PolarHBondContact O-N 2.98Å; Q298-K301 WeakPolarHBondContact O-CB 3.31Å; Q298-K301 PolarHBondContact O-N 2.92Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.25Å; K301-E303 VanDerWaalsContact C-N 3.33Å; K301-M304 WeakPolarHBondContact O-CB 3.49Å; K301-M304 PolarHBondContact O-N 3.43Å; K301-D305 PolarHBondContact O-N 3.34Å |
| 302 | D | 97.4 | Very high | 96.6 | Very high | 82 Ų | 82 | 92.8 Ų | 92.8 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.5 | -66.1 | -16.1 | 0 | 0 | 0 | 110.8 | Q298 S299 D305 V306 | Q298-D302 PolarHBondContact NE2-OD1 3.49Å; Q298-D302 VanDerWaalsContact NE2-OD1 3.09Å; Q298-D302 PolarHBondContact O-N 2.87Å; S299-D302 PolarHBondContact O-N 3.1Å; D302-D305 PolarHBondContact O-N 2.91Å; D302-V306 WeakPolarHBondContact O-CG2 3.47Å; D302-V306 PolarHBondContact O-N 2.86Å |
| 303 | E | 96.9 | Very high | 96.6 | Very high | 111 Ų | 111 | 96 Ų | 96 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 171.7 | -73.4 | -179 | -158.7 | 0 | 0 | 112.3 | S299 K301 D305 V306 L307 | S299-E303 PolarHBondContact O-N 3.45Å; K301-E303 VanDerWaalsContact C-N 3.33Å; E303-D305 VanDerWaalsContact C-N 3.29Å; E303-D305 PolarHBondContact O-N 3.21Å; E303-V306 PolarHBondContact O-N 3.34Å; E303-L307 WeakPolarHBondContact O-CG 3.4Å; E303-L307 PolarHBondContact O-N 3.47Å |
| 304 | M | 96.7 | Very high | 96.6 | Very high | 108 Ų | 108 | 94.7 Ų | 94.7 | 53% | 0.532 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 175.2 | -77.7 | -142.1 | 75 | 0 | 0 | 112.4 | L300 K301 L307 R308 | L300-M304 WeakPolarHBondContact O-CB 3.45Å; L300-M304 VanDerWaalsContact O-CG 3.31Å; L300-M304 WeakPolarHBondContact O-CG 3.4Å; L300-M304 PolarHBondContact O-N 2.89Å; K301-M304 WeakPolarHBondContact O-CB 3.49Å; K301-M304 PolarHBondContact O-N 3.43Å; M304-L307 PolarHBondContact O-N 2.97Å; M304-R308 WeakPolarHBondContact O-CG 3.4Å; M304-R308 PolarHBondContact O-N 2.99Å |
| 305 | D | 97.6 | Very high | 96.7 | Very high | 62 Ų | 62 | 95 Ų | 95 | 33% | 0.332 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.6 | -37 | 178.5 | -75.3 | -20.1 | 0 | 0 | 0 | 111.6 | K301 D302 E303 R308 H309 | K301-D305 PolarHBondContact O-N 3.34Å; D302-D305 PolarHBondContact O-N 2.91Å; E303-D305 VanDerWaalsContact C-N 3.29Å; E303-D305 PolarHBondContact O-N 3.21Å; D305-R308 PolarHBondContact O-N 2.95Å; D305-R308 IonicContact OD1-NH1 3.98Å; D305-R308 PolarHBondContact OD1-NH1 3.41Å; D305-H309 PolarHBondContact O-N 3.14Å |
| 306 | V | 97.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 97.3 Ų | 97.3 | 61% | 0.606 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 169.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | D302 E303 H309 S310 | D302-V306 WeakPolarHBondContact O-CG2 3.47Å; D302-V306 PolarHBondContact O-N 2.86Å; E303-V306 PolarHBondContact O-N 3.34Å; V306-H309 PolarHBondContact O-N 2.87Å; V306-S310 PolarHBondContact O-N 3.41Å |
| 307 | L | 94.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -36.1 | 176.7 | -70.7 | 175.7 | 0 | 0 | 0 | 112.5 | E303 M304 S310 S311 | E303-L307 WeakPolarHBondContact O-CG 3.4Å; E303-L307 PolarHBondContact O-N 3.47Å; M304-L307 PolarHBondContact O-N 2.97Å; L307-S310 WeakPolarHBondContact CA-OG 3.27Å; L307-S310 PolarHBondContact O-N 3.39Å; L307-S310 PolarHBondContact O-OG 2.67Å; L307-S311 VanDerWaalsContact O-CB 3.31Å; L307-S311 WeakPolarHBondContact O-CB 3.33Å; L307-S311 PolarHBondContact O-N 3.4Å |
| 308 | R | 97.6 | Very high | 96.6 | Very high | 152 Ų | 152 | 99.6 Ų | 99.6 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -46 | 172.3 | -80.1 | 174.8 | 175.4 | 162.2 | -1.8 | 111.6 | M304 D305 S310 S311 D312 | M304-R308 WeakPolarHBondContact O-CG 3.4Å; M304-R308 PolarHBondContact O-N 2.99Å; D305-R308 PolarHBondContact O-N 2.95Å; D305-R308 IonicContact OD1-NH1 3.98Å; D305-R308 PolarHBondContact OD1-NH1 3.41Å; R308-S310 VanDerWaalsContact C-N 3.33Å; R308-S310 PolarHBondContact O-N 3Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-N 3.07Å; R308-D312 PolarHBondContact O-N 3.18Å |
| 309 | H | 95.9 | Very high | 96.6 | Very high | 145 Ų | 145 | 97.4 Ų | 97.4 | 67% | 0.671 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 176.6 | -92.7 | -40.8 | 0 | 0 | 0 | 113 | D305 V306 K313 | D305-H309 PolarHBondContact O-N 3.14Å; V306-H309 PolarHBondContact O-N 2.87Å; H309-K313 WeakPolarHBondContact O-CB 3.45Å; H309-K313 PolarHBondContact O-N 3.05Å; H309-K313 VanDerWaalsContact O-N 3.09Å |
| 310 | S | 94.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 97.6 Ų | 97.6 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 175.4 | 74.8 | 0 | 0 | 0 | 0 | 111.5 | V306 L307 R308 K313 V314 | V306-S310 PolarHBondContact O-N 3.41Å; L307-S310 WeakPolarHBondContact CA-OG 3.27Å; L307-S310 PolarHBondContact O-N 3.39Å; L307-S310 PolarHBondContact O-OG 2.67Å; R308-S310 VanDerWaalsContact C-N 3.33Å; R308-S310 PolarHBondContact O-N 3Å; S310-K313 WeakPolarHBondContact O-CB 3.47Å; S310-K313 PolarHBondContact O-N 3.26Å; S310-V314 WeakPolarHBondContact O-CG2 3.38Å; S310-V314 PolarHBondContact O-N 3Å |
| 311 | S | 96.3 | Very high | 96.7 | Very high | 66 Ų | 66 | 96.9 Ų | 96.9 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -49 | 173.3 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | L307 R308 K313 V314 S315 | L307-S311 VanDerWaalsContact O-CB 3.31Å; L307-S311 WeakPolarHBondContact O-CB 3.33Å; L307-S311 PolarHBondContact O-N 3.4Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-N 3.07Å; S311-K313 PolarHBondContact O-N 3.32Å; S311-V314 CarbonylContact O-C 3.57Å; S311-V314 WeakPolarHBondContact O-CA 3.27Å; S311-V314 WeakPolarHBondContact O-CB 3.45Å; S311-V314 PolarHBondContact O-N 2.88Å; S311-S315 PolarHBondContact O-N 2.86Å; S311-S315 PolarHBondContact O-OG 2.89Å |
| 312 | D | 96.7 | Very high | 96.6 | Very high | 88 Ų | 88 | 96.5 Ų | 96.5 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 176.4 | -77.6 | -13.9 | 0 | 0 | 0 | 112.2 | R308 K316 | R308-D312 PolarHBondContact O-N 3.18Å; D312-K316 VanDerWaalsContact O-CG 3.31Å; D312-K316 WeakPolarHBondContact O-CG 3.48Å; D312-K316 PolarHBondContact O-N 3.13Å |
| 313 | K | 97.6 | Very high | 96.6 | Very high | 143 Ų | 143 | 97.5 Ų | 97.5 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 175.2 | -175 | 179.7 | 179.3 | -178.1 | 0 | 111 | H309 S310 S311 K316 L317 | H309-K313 WeakPolarHBondContact O-CB 3.45Å; H309-K313 PolarHBondContact O-N 3.05Å; H309-K313 VanDerWaalsContact O-N 3.09Å; S310-K313 WeakPolarHBondContact O-CB 3.47Å; S310-K313 PolarHBondContact O-N 3.26Å; S311-K313 PolarHBondContact O-N 3.32Å; K313-K316 PolarHBondContact O-N 3Å; K313-L317 HydrophobicContact CG-CD1 4.44Å; K313-L317 WeakPolarHBondContact O-CG 3.26Å; K313-L317 PolarHBondContact O-N 2.81Å |
| 314 | V | 96.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | S310 S311 K316 L317 E318 | S310-V314 WeakPolarHBondContact O-CG2 3.38Å; S310-V314 PolarHBondContact O-N 3Å; S311-V314 CarbonylContact O-C 3.57Å; S311-V314 WeakPolarHBondContact O-CA 3.27Å; S311-V314 WeakPolarHBondContact O-CB 3.45Å; S311-V314 PolarHBondContact O-N 2.88Å; V314-K316 VanDerWaalsContact C-N 3.28Å; V314-K316 PolarHBondContact O-N 2.89Å; V314-L317 CarbonylContact O-C 3.58Å; V314-L317 WeakPolarHBondContact O-CA 3.4Å; V314-L317 WeakPolarHBondContact O-CB 3.46Å; V314-L317 PolarHBondContact O-N 3.28Å; V314-E318 HydrophobicContact CG1-CG 4.21Å; V314-E318 WeakPolarHBondContact O-CG 3.31Å; V314-E318 PolarHBondContact O-N 2.76Å |
| 315 | S | 97.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 99.7 Ų | 99.7 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -36.9 | 177.8 | -64.8 | 0 | 0 | 0 | 0 | 113 | S311 G319 | S311-S315 PolarHBondContact O-N 2.86Å; S311-S315 PolarHBondContact O-OG 2.89Å; S315-G319 PolarHBondContact O-N 3Å |
| 316 | K | 97.2 | Very high | 96.6 | Very high | 155 Ų | 155 | 102.9 Ų | 102.9 | 67% | 0.674 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -44.5 | 172.3 | -74.2 | 171.2 | -174.4 | 171.7 | 0 | 111.8 | D312 K313 V314 G319 T320 | D312-K316 VanDerWaalsContact O-CG 3.31Å; D312-K316 WeakPolarHBondContact O-CG 3.48Å; D312-K316 PolarHBondContact O-N 3.13Å; K313-K316 PolarHBondContact O-N 3Å; V314-K316 VanDerWaalsContact C-N 3.28Å; V314-K316 PolarHBondContact O-N 2.89Å; K316-G319 PolarHBondContact O-N 2.79Å; K316-T320 WeakPolarHBondContact O-CG2 3.44Å; K316-T320 PolarHBondContact O-N 2.85Å |
| 317 | L | 95.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.2 | -71.9 | 172.8 | 0 | 0 | 0 | 111.4 | K313 V314 G319 T320 V321 | K313-L317 HydrophobicContact CG-CD1 4.44Å; K313-L317 WeakPolarHBondContact O-CG 3.26Å; K313-L317 PolarHBondContact O-N 2.81Å; V314-L317 CarbonylContact O-C 3.58Å; V314-L317 WeakPolarHBondContact O-CA 3.4Å; V314-L317 WeakPolarHBondContact O-CB 3.46Å; V314-L317 PolarHBondContact O-N 3.28Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3Å; L317-T320 PolarHBondContact O-N 3.26Å; L317-T320 PolarHBondContact O-OG1 2.97Å; L317-V321 WeakPolarHBondContact O-CG2 3.45Å; L317-V321 PolarHBondContact O-N 3.5Å |
| 318 | E | 95.9 | Very high | 96.5 | Very high | 121 Ų | 121 | 104.3 Ų | 104.3 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.7 | -44.9 | 173.6 | -71.8 | 176.5 | 156.7 | 0 | 0 | 111.6 | V314 T320 V321 E322 | V314-E318 HydrophobicContact CG1-CG 4.21Å; V314-E318 WeakPolarHBondContact O-CG 3.31Å; V314-E318 PolarHBondContact O-N 2.76Å; E318-T320 VanDerWaalsContact C-N 3.32Å; E318-T320 PolarHBondContact O-N 3.45Å; E318-V321 PolarHBondContact O-N 3.27Å; E318-E322 WeakPolarHBondContact O-CB 3.41Å; E318-E322 PolarHBondContact O-N 2.94Å |
| 319 | G | 97 | Very high | 96.5 | Very high | 43 Ų | 43 | 103.1 Ų | 103.1 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S315 K316 L317 H323 | S315-G319 PolarHBondContact O-N 3Å; K316-G319 PolarHBondContact O-N 2.79Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3Å; G319-H323 WeakPolarHBondContact O-CB 3.39Å; G319-H323 PolarHBondContact O-N 3.28Å |
| 320 | T | 96.6 | Very high | 96.5 | Very high | 66 Ų | 66 | 99.9 Ų | 99.9 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 175.3 | 64 | 0 | 0 | 0 | 0 | 112.9 | K316 L317 E318 H323 Y324 | K316-T320 WeakPolarHBondContact O-CG2 3.44Å; K316-T320 PolarHBondContact O-N 2.85Å; L317-T320 PolarHBondContact O-N 3.26Å; L317-T320 PolarHBondContact O-OG1 2.97Å; E318-T320 VanDerWaalsContact C-N 3.32Å; E318-T320 PolarHBondContact O-N 3.45Å; T320-H323 PolarHBondContact O-N 3.19Å; T320-Y324 WeakPolarHBondContact O-CD2 3.33Å; T320-Y324 PolarHBondContact O-N 3.09Å |
| 321 | V | 96.8 | Very high | 96.5 | Very high | 74 Ų | 74 | 102.6 Ų | 102.6 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 176 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | L317 E318 H323 Y324 K325 | L317-V321 WeakPolarHBondContact O-CG2 3.45Å; L317-V321 PolarHBondContact O-N 3.5Å; E318-V321 PolarHBondContact O-N 3.27Å; V321-H323 VanDerWaalsContact C-N 3.34Å; V321-H323 PolarHBondContact O-N 2.96Å; V321-Y324 PolarHBondContact O-N 3.26Å; V321-Y324 VanDerWaalsContact O-N 3.16Å; V321-K325 HydrophobicContact CG1-CD 4.44Å; V321-K325 HydrophobicContact CG1-CG 4.49Å; V321-K325 WeakPolarHBondContact O-CG 3.47Å; V321-K325 PolarHBondContact O-N 3.27Å |
| 322 | E | 97.1 | Very high | 96.4 | Very high | 110 Ų | 110 | 100.5 Ų | 100.5 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 178.1 | -166.7 | 56.3 | -150.2 | 0 | 0 | 111.7 | E318 Y324 K325 K326 | E318-E322 WeakPolarHBondContact O-CB 3.41Å; E318-E322 PolarHBondContact O-N 2.94Å; E322-Y324 VanDerWaalsContact C-N 3.34Å; E322-Y324 PolarHBondContact O-N 3.22Å; E322-K325 PolarHBondContact O-N 3.46Å; E322-K325 IonicContact OE2-NZ 3.56Å; E322-K326 PolarHBondContact O-N 3.33Å |
| 323 | H | 96.8 | Very high | 96.4 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 172.3 | -177.9 | 66.2 | 0 | 0 | 0 | 112.7 | G319 T320 V321 K327 | G319-H323 WeakPolarHBondContact O-CB 3.39Å; G319-H323 PolarHBondContact O-N 3.28Å; T320-H323 PolarHBondContact O-N 3.19Å; V321-H323 VanDerWaalsContact C-N 3.34Å; V321-H323 PolarHBondContact O-N 2.96Å; H323-K327 WeakPolarHBondContact NE2-CE 3.46Å; H323-K327 PolarHBondContact O-N 2.93Å; H323-K327 VanDerWaalsContact O-N 3.08Å |
| 324 | Y | 96.1 | Very high | 96.3 | Very high | 152 Ų | 152 | 98.4 Ų | 98.4 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.9 | -36.8 | 176.6 | -74.4 | -52.5 | 0 | 0 | 0 | 113.1 | T320 V321 E322 K327 L328 | T320-Y324 WeakPolarHBondContact O-CD2 3.33Å; T320-Y324 PolarHBondContact O-N 3.09Å; V321-Y324 PolarHBondContact O-N 3.26Å; V321-Y324 VanDerWaalsContact O-N 3.16Å; E322-Y324 VanDerWaalsContact C-N 3.34Å; E322-Y324 PolarHBondContact O-N 3.22Å; Y324-K327 HydrophobicContact CD1-CD 4.4Å; Y324-K327 PolarHBondContact O-N 2.89Å; Y324-L328 WeakPolarHBondContact O-CB 3.45Å; Y324-L328 PolarHBondContact O-N 3.03Å |
| 325 | K | 97.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 103.8 Ų | 103.8 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 172.3 | -76.9 | 179.2 | -178.7 | 173.4 | 0 | 111 | V321 E322 K327 L328 E329 | V321-K325 HydrophobicContact CG1-CD 4.44Å; V321-K325 HydrophobicContact CG1-CG 4.49Å; V321-K325 WeakPolarHBondContact O-CG 3.47Å; V321-K325 PolarHBondContact O-N 3.27Å; E322-K325 PolarHBondContact O-N 3.46Å; E322-K325 IonicContact OE2-NZ 3.56Å; K325-K327 VanDerWaalsContact C-N 3.34Å; K325-K327 PolarHBondContact O-N 2.86Å; K325-L328 WeakPolarHBondContact O-CA 3.45Å; K325-L328 VanDerWaalsContact O-CB 3.31Å; K325-L328 WeakPolarHBondContact O-CB 3.25Å; K325-L328 PolarHBondContact O-N 2.91Å; K325-E329 WeakPolarHBondContact O-CG 3.34Å; K325-E329 PolarHBondContact O-N 2.89Å |
| 326 | K | 97.1 | Very high | 96.3 | Very high | 128 Ų | 128 | 108.3 Ų | 108.3 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.3 | -44.1 | 176.8 | -174.1 | 168.9 | -177.6 | 170.8 | 0 | 112.4 | E322 L328 E329 D330 | E322-K326 PolarHBondContact O-N 3.33Å; K326-L328 VanDerWaalsContact C-N 3.27Å; K326-L328 PolarHBondContact O-N 3.47Å; K326-E329 PolarHBondContact O-N 3.44Å; K326-D330 PolarHBondContact O-N 3.43Å |
| 327 | K | 96.3 | Very high | 96.3 | Very high | 106 Ų | 106 | 106.3 Ų | 106.3 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -36.9 | 173.2 | -79 | -176.3 | 171.4 | -178.9 | 0 | 113 | H323 Y324 K325 M331 | H323-K327 WeakPolarHBondContact NE2-CE 3.46Å; H323-K327 PolarHBondContact O-N 2.93Å; H323-K327 VanDerWaalsContact O-N 3.08Å; Y324-K327 HydrophobicContact CD1-CD 4.4Å; Y324-K327 PolarHBondContact O-N 2.89Å; K325-K327 VanDerWaalsContact C-N 3.34Å; K325-K327 PolarHBondContact O-N 2.86Å; K327-M331 WeakPolarHBondContact O-CB 3.36Å; K327-M331 WeakPolarHBondContact O-CG 3.46Å; K327-M331 PolarHBondContact O-N 3.32Å |
| 328 | L | 94.9 | Very high | 96.3 | Very high | 134 Ų | 134 | 106 Ų | 106 | 70% | 0.702 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.6 | -40.1 | 178.2 | -158.7 | 107.9 | 0 | 0 | 0 | 111.4 | Y324 K325 K326 M331 G332 | Y324-L328 WeakPolarHBondContact O-CB 3.45Å; Y324-L328 PolarHBondContact O-N 3.03Å; K325-L328 WeakPolarHBondContact O-CA 3.45Å; K325-L328 VanDerWaalsContact O-CB 3.31Å; K325-L328 WeakPolarHBondContact O-CB 3.25Å; K325-L328 PolarHBondContact O-N 2.91Å; K326-L328 VanDerWaalsContact C-N 3.27Å; K326-L328 PolarHBondContact O-N 3.47Å; L328-M331 PolarHBondContact O-N 3.26Å; L328-G332 PolarHBondContact O-N 3.08Å |
| 329 | E | 95.9 | Very high | 96.4 | Very high | 126 Ų | 126 | 106.2 Ų | 106.2 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 173.1 | -70.2 | 175.9 | 179.8 | 0 | 0 | 111.6 | K325 K326 M331 G332 L333 | K325-E329 WeakPolarHBondContact O-CG 3.34Å; K325-E329 PolarHBondContact O-N 2.89Å; K326-E329 PolarHBondContact O-N 3.44Å; E329-M331 VanDerWaalsContact C-N 3.34Å; E329-M331 PolarHBondContact O-N 3.44Å; E329-G332 CarbonylContact O-C 3.59Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 3.37Å; E329-L333 PolarHBondContact O-N 3.01Å |
| 330 | D | 96.1 | Very high | 96.4 | Very high | 78 Ų | 78 | 108.7 Ų | 108.7 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 175 | -72.1 | -21.3 | 0 | 0 | 0 | 111.4 | K326 G332 L333 L334 | K326-D330 PolarHBondContact O-N 3.43Å; D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 3.16Å; D330-L333 WeakPolarHBondContact O-CB 3.17Å; D330-L333 PolarHBondContact O-N 2.88Å; D330-L334 WeakPolarHBondContact O-CG 3.49Å; D330-L334 PolarHBondContact O-N 2.79Å |
| 331 | M | 94.7 | Very high | 96.4 | Very high | 114 Ų | 114 | 110.4 Ų | 110.4 | 56% | 0.562 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -37.4 | 172.5 | -79 | -70.6 | 168.3 | 0 | 0 | 112.1 | K327 L328 E329 L334 R335 | K327-M331 WeakPolarHBondContact O-CB 3.36Å; K327-M331 WeakPolarHBondContact O-CG 3.46Å; K327-M331 PolarHBondContact O-N 3.32Å; L328-M331 PolarHBondContact O-N 3.26Å; E329-M331 VanDerWaalsContact C-N 3.34Å; E329-M331 PolarHBondContact O-N 3.44Å; M331-L334 PolarHBondContact O-N 2.92Å; M331-L334 HydrophobicContact SD-CD1 4.4Å; M331-R335 WeakPolarHBondContact O-CG 3.27Å; M331-R335 PolarHBondContact O-N 2.82Å |
| 332 | G | 95.4 | Very high | 96.4 | Very high | 22 Ų | 22 | 112.4 Ų | 112.4 | 23% | 0.227 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L328 E329 D330 R335 R336 | L328-G332 PolarHBondContact O-N 3.08Å; E329-G332 CarbonylContact O-C 3.59Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 3.37Å; D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 3.16Å; G332-R335 PolarHBondContact O-N 3.4Å; G332-R336 WeakPolarHBondContact O-CG 3.38Å; G332-R336 PolarHBondContact O-N 2.9Å; G332-R336 VanDerWaalsContact O-N 3.1Å |
| 333 | L | 96.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 111.5 Ų | 111.5 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 175 | -69.3 | 170.1 | 0 | 0 | 0 | 111.7 | E329 D330 R335 R336 Q337 | E329-L333 PolarHBondContact O-N 3.01Å; D330-L333 WeakPolarHBondContact O-CB 3.17Å; D330-L333 PolarHBondContact O-N 2.88Å; L333-R335 VanDerWaalsContact C-N 3.35Å; L333-R335 PolarHBondContact O-N 3.43Å; L333-R336 PolarHBondContact O-N 2.83Å; L333-Q337 PolarHBondContact O-N 3.41Å |
| 334 | L | 96.1 | Very high | 96.4 | Very high | 86 Ų | 86 | 113 Ų | 113 | 45% | 0.45 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.4 | -72.5 | 171.4 | 0 | 0 | 0 | 111.9 | D330 M331 R336 Q337 I338 | D330-L334 WeakPolarHBondContact O-CG 3.49Å; D330-L334 PolarHBondContact O-N 2.79Å; M331-L334 PolarHBondContact O-N 2.92Å; M331-L334 HydrophobicContact SD-CD1 4.4Å; L334-R336 PolarHBondContact O-N 3.39Å; L334-Q337 WeakPolarHBondContact O-CB 3.45Å; L334-Q337 PolarHBondContact O-N 2.8Å; L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.18Å |
| 335 | R | 96.4 | Very high | 96.4 | Very high | 187 Ų | 187 | 111 Ų | 111 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 174.9 | -75.9 | 177.7 | -170.8 | -88.8 | 2.2 | 112.3 | M331 G332 L333 Q337 I338 K339 | M331-R335 WeakPolarHBondContact O-CG 3.27Å; M331-R335 PolarHBondContact O-N 2.82Å; G332-R335 PolarHBondContact O-N 3.4Å; L333-R335 VanDerWaalsContact C-N 3.35Å; L333-R335 PolarHBondContact O-N 3.43Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; R335-I338 PolarHBondContact O-N 2.88Å; R335-K339 PolarHBondContact O-N 3.09Å |
| 336 | R | 96.8 | Very high | 96.3 | Very high | 160 Ų | 160 | 109 Ų | 109 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -39.7 | 174.7 | -67.9 | -175.8 | -157.5 | 104.6 | -3.4 | 111.6 | G332 L333 L334 K339 L340 | G332-R336 WeakPolarHBondContact O-CG 3.38Å; G332-R336 PolarHBondContact O-N 2.9Å; G332-R336 VanDerWaalsContact O-N 3.1Å; L333-R336 PolarHBondContact O-N 2.83Å; L334-R336 PolarHBondContact O-N 3.39Å; R336-K339 PolarHBondContact O-N 2.97Å; R336-L340 WeakPolarHBondContact O-CG 3.47Å; R336-L340 PolarHBondContact O-N 3.22Å |
| 337 | Q | 97.2 | Very high | 96.4 | Very high | 112 Ų | 112 | 106.8 Ų | 106.8 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.4 | -172.3 | 178 | 19.9 | 0 | 0 | 111.9 | L333 L334 R335 L340 L341 | L333-Q337 PolarHBondContact O-N 3.41Å; L334-Q337 WeakPolarHBondContact O-CB 3.45Å; L334-Q337 PolarHBondContact O-N 2.8Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; Q337-L340 PolarHBondContact O-N 2.89Å; Q337-L341 HydrophobicContact CG-CD1 4.41Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.35Å |
| 338 | I | 96.7 | Very high | 96.4 | Very high | 91 Ų | 91 | 107.1 Ų | 107.1 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 174.6 | -70.6 | 167.2 | 0 | 0 | 0 | 110 | L334 R335 L340 L341 E342 | L334-I338 WeakPolarHBondContact O-CG1 3.39Å; L334-I338 PolarHBondContact O-N 3.18Å; R335-I338 PolarHBondContact O-N 2.88Å; I338-L340 VanDerWaalsContact C-N 3.33Å; I338-L340 PolarHBondContact O-N 2.93Å; I338-L341 WeakPolarHBondContact O-CB 3.28Å; I338-L341 PolarHBondContact O-N 2.9Å; I338-E342 HydrophobicContact CG2-CG 4.28Å; I338-E342 WeakPolarHBondContact O-CG 3.48Å; I338-E342 PolarHBondContact O-N 2.84Å |
| 339 | K | 97.4 | Very high | 96.5 | Very high | 125 Ų | 125 | 106.8 Ų | 106.8 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 178.6 | -169.6 | 179.8 | 178.6 | -173.4 | 0 | 112.6 | R335 R336 L341 E342 E343 | R335-K339 PolarHBondContact O-N 3.09Å; R336-K339 PolarHBondContact O-N 2.97Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 3.28Å; K339-E342 PolarHBondContact O-N 2.92Å; K339-E343 VanDerWaalsContact CE-OE1 3.25Å; K339-E343 WeakPolarHBondContact CE-OE1 3.43Å; K339-E343 WeakPolarHBondContact O-CB 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.34Å; K339-E343 PolarHBondContact O-N 3.25Å |
| 340 | L | 96.8 | Very high | 96.5 | Very high | 96 Ų | 96 | 107.2 Ų | 107.2 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 175.2 | -78.8 | 167.7 | 0 | 0 | 0 | 112.7 | R336 Q337 I338 K344 | R336-L340 WeakPolarHBondContact O-CG 3.47Å; R336-L340 PolarHBondContact O-N 3.22Å; Q337-L340 PolarHBondContact O-N 2.89Å; I338-L340 VanDerWaalsContact C-N 3.33Å; I338-L340 PolarHBondContact O-N 2.93Å; L340-K344 WeakPolarHBondContact O-CB 3.41Å; L340-K344 VanDerWaalsContact O-CG 3.3Å; L340-K344 WeakPolarHBondContact O-CG 3.18Å; L340-K344 PolarHBondContact O-N 3.24Å |
| 341 | L | 96.4 | Very high | 96.5 | Very high | 102 Ų | 102 | 106.7 Ų | 106.7 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 175.6 | -73.5 | 172.5 | 0 | 0 | 0 | 111.6 | Q337 I338 K339 K344 N345 | Q337-L341 HydrophobicContact CG-CD1 4.41Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.35Å; I338-L341 WeakPolarHBondContact O-CB 3.28Å; I338-L341 PolarHBondContact O-N 2.9Å; K339-L341 VanDerWaalsContact C-N 3.33Å; K339-L341 PolarHBondContact O-N 3.28Å; L341-K344 PolarHBondContact O-N 3.33Å; L341-N345 WeakPolarHBondContact O-CB 3.27Å; L341-N345 PolarHBondContact O-N 3.4Å |
| 342 | E | 96.1 | Very high | 96.5 | Very high | 116 Ų | 116 | 105.6 Ų | 105.6 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 173.6 | -72.1 | 172.1 | 166.6 | 0 | 0 | 111.2 | I338 K339 K344 N345 T346 | I338-E342 HydrophobicContact CG2-CG 4.28Å; I338-E342 WeakPolarHBondContact O-CG 3.48Å; I338-E342 PolarHBondContact O-N 2.84Å; K339-E342 PolarHBondContact O-N 2.92Å; E342-K344 PolarHBondContact O-N 2.89Å; E342-N345 WeakPolarHBondContact O-CB 3.31Å; E342-N345 PolarHBondContact O-N 2.95Å; E342-N345 VanDerWaalsContact O-N 3.11Å; E342-T346 WeakPolarHBondContact O-CG2 3.45Å; E342-T346 PolarHBondContact O-N 3.37Å; E342-T346 PolarHBondContact O-OG1 3.28Å |
| 343 | E | 96.9 | Very high | 96.6 | Very high | 90 Ų | 90 | 108.2 Ų | 108.2 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.3 | -74 | 170 | -172.6 | 0 | 0 | 112.2 | K339 N345 T346 V347 | K339-E343 VanDerWaalsContact CE-OE1 3.25Å; K339-E343 WeakPolarHBondContact CE-OE1 3.43Å; K339-E343 WeakPolarHBondContact O-CB 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.34Å; K339-E343 PolarHBondContact O-N 3.25Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 3.28Å; E343-T346 WeakPolarHBondContact CA-OG1 3.42Å; E343-T346 PolarHBondContact O-N 3.49Å; E343-T346 PolarHBondContact O-OG1 3.25Å; E343-V347 WeakPolarHBondContact O-CG2 3.34Å; E343-V347 PolarHBondContact O-N 2.85Å; E343-V347 VanDerWaalsContact O-N 3.07Å |
| 344 | K | 97.3 | Very high | 96.6 | Very high | 136 Ų | 136 | 106.3 Ų | 106.3 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 173.4 | -77.4 | 176.5 | -178.1 | 179 | 0 | 111.8 | L340 L341 E342 V347 L348 | L340-K344 WeakPolarHBondContact O-CB 3.41Å; L340-K344 VanDerWaalsContact O-CG 3.3Å; L340-K344 WeakPolarHBondContact O-CG 3.18Å; L340-K344 PolarHBondContact O-N 3.24Å; L341-K344 PolarHBondContact O-N 3.33Å; E342-K344 PolarHBondContact O-N 2.89Å; K344-V347 PolarHBondContact O-N 3.39Å; K344-L348 WeakPolarHBondContact O-CB 3.41Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.34Å; K344-L348 PolarHBondContact O-N 3.27Å |
| 345 | N | 95.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 107.2 Ų | 107.2 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.7 | -39.7 | -179.6 | -157.8 | -8.7 | 0 | 0 | 0 | 111.5 | L341 E342 E343 L348 M349 | L341-N345 WeakPolarHBondContact O-CB 3.27Å; L341-N345 PolarHBondContact O-N 3.4Å; E342-N345 WeakPolarHBondContact O-CB 3.31Å; E342-N345 PolarHBondContact O-N 2.95Å; E342-N345 VanDerWaalsContact O-N 3.11Å; E343-N345 VanDerWaalsContact C-N 3.32Å; E343-N345 PolarHBondContact O-N 3.28Å; N345-L348 PolarHBondContact O-N 2.93Å; N345-M349 WeakPolarHBondContact O-CB 3.38Å; N345-M349 PolarHBondContact O-N 3.36Å |
| 346 | T | 97.2 | Very high | 96.5 | Very high | 72 Ų | 72 | 103.3 Ų | 103.3 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.1 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | E342 E343 M349 Q350 | E342-T346 WeakPolarHBondContact O-CG2 3.45Å; E342-T346 PolarHBondContact O-N 3.37Å; E342-T346 PolarHBondContact O-OG1 3.28Å; E343-T346 WeakPolarHBondContact CA-OG1 3.42Å; E343-T346 PolarHBondContact O-N 3.49Å; E343-T346 PolarHBondContact O-OG1 3.25Å; T346-M349 PolarHBondContact O-N 2.95Å; T346-Q350 WeakPolarHBondContact O-CG 3.49Å; T346-Q350 PolarHBondContact O-N 3.4Å |
| 347 | V | 97.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 173.9 | 172 | 0 | 0 | 0 | 0 | 110.9 | E343 K344 M349 Q350 T351 | E343-V347 WeakPolarHBondContact O-CG2 3.34Å; E343-V347 PolarHBondContact O-N 2.85Å; E343-V347 VanDerWaalsContact O-N 3.07Å; K344-V347 PolarHBondContact O-N 3.39Å; V347-M349 VanDerWaalsContact C-N 3.29Å; V347-M349 PolarHBondContact O-N 3.08Å; V347-Q350 PolarHBondContact O-N 3.41Å; V347-T351 HydrophobicContact CG1-CG2 4.45Å; V347-T351 WeakPolarHBondContact O-CG2 3.41Å; V347-T351 PolarHBondContact O-N 2.85Å; V347-T351 PolarHBondContact O-OG1 3.29Å |
| 348 | L | 96.3 | Very high | 96.3 | Very high | 112 Ų | 112 | 101.1 Ų | 101.1 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.3 | -43 | 175.8 | -74.8 | 171.6 | 0 | 0 | 0 | 111.5 | K344 N345 T351 N352 | K344-L348 WeakPolarHBondContact O-CB 3.41Å; K344-L348 VanDerWaalsContact O-CG 3.31Å; K344-L348 WeakPolarHBondContact O-CG 3.34Å; K344-L348 PolarHBondContact O-N 3.27Å; N345-L348 PolarHBondContact O-N 2.93Å; L348-T351 WeakPolarHBondContact CA-OG1 3.42Å; L348-T351 PolarHBondContact O-N 2.89Å; L348-T351 PolarHBondContact O-OG1 2.89Å; L348-N352 WeakPolarHBondContact O-CB 3.49Å; L348-N352 PolarHBondContact O-N 2.89Å |
| 349 | M | 97.1 | Very high | 96.2 | Very high | 128 Ų | 128 | 102 Ų | 102 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 177 | -162.4 | 168.3 | 85.7 | 0 | 0 | 112 | N345 T346 V347 N352 V353 | N345-M349 WeakPolarHBondContact O-CB 3.38Å; N345-M349 PolarHBondContact O-N 3.36Å; T346-M349 PolarHBondContact O-N 2.95Å; V347-M349 VanDerWaalsContact C-N 3.29Å; V347-M349 PolarHBondContact O-N 3.08Å; M349-N352 PolarHBondContact O-N 3.3Å; M349-V353 WeakPolarHBondContact O-CG2 3.31Å; M349-V353 PolarHBondContact O-N 3.03Å |
| 350 | Q | 96.1 | Very high | 96.2 | Very high | 135 Ų | 135 | 104.4 Ų | 104.4 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 174.5 | -73.3 | 174.6 | -3.4 | 0 | 0 | 112.2 | T346 V347 N352 V353 S354 | T346-Q350 WeakPolarHBondContact O-CG 3.49Å; T346-Q350 PolarHBondContact O-N 3.4Å; V347-Q350 PolarHBondContact O-N 3.41Å; Q350-N352 VanDerWaalsContact C-N 3.3Å; Q350-N352 PolarHBondContact O-N 3.23Å; Q350-V353 PolarHBondContact O-N 3.49Å; Q350-S354 PolarHBondContact O-N 2.94Å |
| 351 | T | 96.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 106.6 Ų | 106.6 | 41% | 0.411 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | V347 L348 S354 L355 | V347-T351 HydrophobicContact CG1-CG2 4.45Å; V347-T351 WeakPolarHBondContact O-CG2 3.41Å; V347-T351 PolarHBondContact O-N 2.85Å; V347-T351 PolarHBondContact O-OG1 3.29Å; L348-T351 WeakPolarHBondContact CA-OG1 3.42Å; L348-T351 PolarHBondContact O-N 2.89Å; L348-T351 PolarHBondContact O-OG1 2.89Å; T351-S354 PolarHBondContact O-N 3.18Å; T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.36Å; T351-L355 PolarHBondContact O-N 2.88Å |
| 352 | N | 95 | Very high | 96 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 177.8 | -160.1 | -1.7 | 0 | 0 | 0 | 111.3 | L348 M349 Q350 S354 L355 E356 | L348-N352 WeakPolarHBondContact O-CB 3.49Å; L348-N352 PolarHBondContact O-N 2.89Å; M349-N352 PolarHBondContact O-N 3.3Å; Q350-N352 VanDerWaalsContact C-N 3.3Å; Q350-N352 PolarHBondContact O-N 3.23Å; N352-S354 VanDerWaalsContact C-N 3.33Å; N352-S354 PolarHBondContact O-N 3.2Å; N352-L355 PolarHBondContact O-N 2.99Å; N352-E356 WeakPolarHBondContact O-CG 3.4Å; N352-E356 PolarHBondContact O-N 3.35Å |
| 353 | V | 97 | Very high | 96 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | M349 Q350 E356 E357 | M349-V353 WeakPolarHBondContact O-CG2 3.31Å; M349-V353 PolarHBondContact O-N 3.03Å; Q350-V353 PolarHBondContact O-N 3.49Å; V353-E356 PolarHBondContact O-N 2.92Å; V353-E357 PolarHBondContact O-N 3.06Å |
| 354 | S | 95.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 101.6 Ų | 101.6 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | Q350 T351 N352 E356 E357 E358 | Q350-S354 PolarHBondContact O-N 2.94Å; T351-S354 PolarHBondContact O-N 3.18Å; N352-S354 VanDerWaalsContact C-N 3.33Å; N352-S354 PolarHBondContact O-N 3.2Å; S354-E356 PolarHBondContact O-N 3.33Å; S354-E357 WeakPolarHBondContact O-CB 3.4Å; S354-E357 PolarHBondContact O-N 3.47Å; S354-E358 PolarHBondContact O-N 3.37Å |
| 355 | L | 95.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 176.7 | -71.2 | 171.1 | 0 | 0 | 0 | 112.2 | T351 N352 E357 E358 L359 | T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 VanDerWaalsContact O-CG 3.28Å; T351-L355 WeakPolarHBondContact O-CG 3.36Å; T351-L355 PolarHBondContact O-N 2.88Å; N352-L355 PolarHBondContact O-N 2.99Å; L355-E357 VanDerWaalsContact C-N 3.34Å; L355-E358 PolarHBondContact O-N 3.01Å; L355-L359 WeakPolarHBondContact O-CB 3.45Å; L355-L359 PolarHBondContact O-N 3.35Å |
| 356 | E | 95.5 | Very high | 95.7 | Very high | 106 Ų | 106 | 98.6 Ų | 98.6 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 173.5 | -74.8 | -178 | 176.7 | 0 | 0 | 112.1 | N352 V353 S354 L359 R360 | N352-E356 WeakPolarHBondContact O-CG 3.4Å; N352-E356 PolarHBondContact O-N 3.35Å; V353-E356 PolarHBondContact O-N 2.92Å; S354-E356 PolarHBondContact O-N 3.33Å; E356-L359 PolarHBondContact O-N 2.94Å; E356-R360 WeakPolarHBondContact O-CB 3.46Å; E356-R360 PolarHBondContact O-N 3.43Å |
| 357 | E | 95.8 | Very high | 95.5 | Very high | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 173 | -100.1 | -174.6 | 175 | 0 | 0 | 112.5 | V353 S354 L355 L359 R360 K361 | V353-E357 PolarHBondContact O-N 3.06Å; S354-E357 WeakPolarHBondContact O-CB 3.4Å; S354-E357 PolarHBondContact O-N 3.47Å; L355-E357 VanDerWaalsContact C-N 3.34Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 2.92Å; E357-R360 WeakPolarHBondContact O-CB 3.38Å; E357-R360 PolarHBondContact O-N 3.02Å; E357-K361 WeakPolarHBondContact O-CG 3.49Å; E357-K361 PolarHBondContact O-N 2.84Å |
| 358 | E | 94.4 | Very high | 95.4 | Very high | 119 Ų | 119 | 98.7 Ų | 98.7 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -41.4 | 173.9 | -72.2 | -161.8 | 166 | 0 | 0 | 111.6 | S354 L355 R360 K361 A362 | S354-E358 PolarHBondContact O-N 3.37Å; L355-E358 PolarHBondContact O-N 3.01Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.46Å; E358-K361 PolarHBondContact O-N 2.97Å; E358-A362 WeakPolarHBondContact O-CB 3.42Å; E358-A362 PolarHBondContact O-N 3.02Å |
| 359 | L | 95.3 | Very high | 95.2 | Very high | 109 Ų | 109 | 97.8 Ų | 97.8 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 174.5 | -171.5 | 75.8 | 0 | 0 | 0 | 111.3 | L355 E356 E357 A362 N363 | L355-L359 WeakPolarHBondContact O-CB 3.45Å; L355-L359 PolarHBondContact O-N 3.35Å; E356-L359 PolarHBondContact O-N 2.94Å; E357-L359 VanDerWaalsContact C-N 3.31Å; E357-L359 PolarHBondContact O-N 2.92Å; L359-A362 PolarHBondContact O-N 2.91Å; L359-N363 WeakPolarHBondContact O-CB 3.44Å; L359-N363 PolarHBondContact O-N 3.26Å; L359-N363 PolarHBondContact O-ND2 3.33Å |
| 360 | R | 96.1 | Very high | 95.1 | Very high | 175 Ų | 175 | 96.1 Ų | 96.1 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 176.1 | -172.6 | -176 | -98.3 | 103 | -6.7 | 111.1 | E356 E357 E358 N363 A364 | E356-R360 WeakPolarHBondContact O-CB 3.46Å; E356-R360 PolarHBondContact O-N 3.43Å; E357-R360 WeakPolarHBondContact O-CB 3.38Å; E357-R360 PolarHBondContact O-N 3.02Å; E358-R360 VanDerWaalsContact C-N 3.33Å; E358-R360 PolarHBondContact O-N 3.46Å; R360-N363 PolarHBondContact O-N 3.32Å; R360-A364 PolarHBondContact O-N 2.86Å |
| 361 | K | 96 | Very high | 95 | Very high | 142 Ų | 142 | 93.1 Ų | 93.1 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 174.9 | -70.7 | 171.4 | -175.5 | 168.3 | 0 | 111.7 | E357 E358 N363 A364 A365 | E357-K361 WeakPolarHBondContact O-CG 3.49Å; E357-K361 PolarHBondContact O-N 2.84Å; E358-K361 PolarHBondContact O-N 2.97Å; K361-N363 VanDerWaalsContact C-N 3.32Å; K361-N363 PolarHBondContact O-N 2.84Å; K361-A364 PolarHBondContact O-N 2.97Å; K361-A365 PolarHBondContact O-N 3.33Å |
| 362 | A | 94.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 96.4 Ų | 96.4 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E358 L359 A365 K366 | E358-A362 WeakPolarHBondContact O-CB 3.42Å; E358-A362 PolarHBondContact O-N 3.02Å; L359-A362 PolarHBondContact O-N 2.91Å; A362-A365 PolarHBondContact O-N 2.85Å; A362-K366 WeakPolarHBondContact O-CB 3.3Å; A362-K366 PolarHBondContact O-N 2.98Å |
| 363 | N | 94.8 | Very high | 94.9 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 175.1 | -78.5 | -34.7 | 0 | 0 | 0 | 112.5 | L359 R360 K361 K366 G367 | L359-N363 WeakPolarHBondContact O-CB 3.44Å; L359-N363 PolarHBondContact O-N 3.26Å; L359-N363 PolarHBondContact O-ND2 3.33Å; R360-N363 PolarHBondContact O-N 3.32Å; K361-N363 VanDerWaalsContact C-N 3.32Å; K361-N363 PolarHBondContact O-N 2.84Å; N363-K366 PolarHBondContact O-N 3.25Å; N363-G367 PolarHBondContact O-N 3.04Å |
| 364 | A | 94.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R360 K361 K366 G367 Q368 | R360-A364 PolarHBondContact O-N 2.86Å; K361-A364 PolarHBondContact O-N 2.97Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.31Å; A364-G367 WeakPolarHBondContact O-CA 3.35Å; A364-G367 PolarHBondContact O-N 3.45Å; A364-G367 VanDerWaalsContact O-N 3.12Å; A364-Q368 PolarHBondContact O-N 3.17Å |
| 365 | A | 94 | Very high | 94.8 | Very high | 52 Ų | 52 | 104.4 Ų | 104.4 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K361 A362 G367 Q368 L369 | K361-A365 PolarHBondContact O-N 3.33Å; A362-A365 PolarHBondContact O-N 2.85Å; A365-G367 VanDerWaalsContact C-N 3.34Å; A365-Q368 PolarHBondContact O-N 3.22Å; A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 PolarHBondContact O-N 3.06Å |
| 366 | K | 94.8 | Very high | 94.7 | Very high | 130 Ų | 130 | 103.2 Ų | 103.2 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 172.7 | -173.4 | 180 | 178.6 | -178.3 | 0 | 111.6 | A362 N363 A364 L369 E370 | A362-K366 WeakPolarHBondContact O-CB 3.3Å; A362-K366 PolarHBondContact O-N 2.98Å; N363-K366 PolarHBondContact O-N 3.25Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.31Å; K366-L369 PolarHBondContact O-N 2.81Å; K366-E370 WeakPolarHBondContact O-CG 3.38Å; K366-E370 PolarHBondContact O-N 3.37Å |
| 367 | G | 93.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 101.8 Ų | 101.8 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N363 A364 A365 E370 T371 | N363-G367 PolarHBondContact O-N 3.04Å; A364-G367 WeakPolarHBondContact O-CA 3.35Å; A364-G367 PolarHBondContact O-N 3.45Å; A364-G367 VanDerWaalsContact O-N 3.12Å; A365-G367 VanDerWaalsContact C-N 3.34Å; G367-E370 PolarHBondContact O-N 2.9Å; G367-T371 PolarHBondContact O-N 3.1Å |
| 368 | Q | 94.2 | Very high | 94.6 | Very high | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.4 | -69.2 | 175.7 | -10.9 | 0 | 0 | 111.9 | A364 A365 E370 T371 Y372 | A364-Q368 PolarHBondContact O-N 3.17Å; A365-Q368 PolarHBondContact O-N 3.22Å; Q368-E370 VanDerWaalsContact C-N 3.3Å; Q368-E370 PolarHBondContact O-N 2.93Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.47Å; Q368-T371 PolarHBondContact O-N 2.97Å; Q368-T371 VanDerWaalsContact O-N 3.08Å; Q368-T371 PolarHBondContact O-OG1 3.36Å; Q368-Y372 HydrophobicContact CB-CE2 4.43Å; Q368-Y372 WeakPolarHBondContact O-CD2 3.48Å; Q368-Y372 PolarHBondContact O-N 3.39Å |
| 369 | L | 93.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 100.6 Ų | 100.6 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 176.8 | -177.2 | 66.3 | 0 | 0 | 0 | 112 | A365 K366 T371 Y372 K373 | A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 PolarHBondContact O-N 3.06Å; K366-L369 PolarHBondContact O-N 2.81Å; L369-T371 VanDerWaalsContact C-N 3.35Å; L369-Y372 PolarHBondContact O-N 3.32Å; L369-K373 WeakPolarHBondContact O-CG 3.45Å; L369-K373 PolarHBondContact O-N 2.92Å |
| 370 | E | 94.3 | Very high | 94.5 | Very high | 92 Ų | 92 | 101.1 Ų | 101.1 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 175.8 | -69.5 | -54.1 | 141.9 | 0 | 0 | 112.4 | K366 G367 Q368 K373 R374 | K366-E370 WeakPolarHBondContact O-CG 3.38Å; K366-E370 PolarHBondContact O-N 3.37Å; G367-E370 PolarHBondContact O-N 2.9Å; Q368-E370 VanDerWaalsContact C-N 3.3Å; Q368-E370 PolarHBondContact O-N 2.93Å; E370-K373 PolarHBondContact O-N 2.94Å; E370-K373 IonicContact OE1-NZ 2.82Å; E370-K373 PolarHBondContact OE1-NZ 3.43Å; E370-R374 PolarHBondContact O-N 3.25Å |
| 371 | T | 94.8 | Very high | 94.4 | Very high | 72 Ų | 72 | 97 Ų | 97 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 171.5 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | G367 Q368 L369 R374 Q375 | G367-T371 PolarHBondContact O-N 3.1Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.47Å; Q368-T371 PolarHBondContact O-N 2.97Å; Q368-T371 VanDerWaalsContact O-N 3.08Å; Q368-T371 PolarHBondContact O-OG1 3.36Å; L369-T371 VanDerWaalsContact C-N 3.35Å; T371-R374 PolarHBondContact O-N 3.47Å; T371-Q375 WeakPolarHBondContact O-CG 3.46Å; T371-Q375 PolarHBondContact O-N 3.48Å |
| 372 | Y | 93.8 | Very high | 94.3 | Very high | 137 Ų | 137 | 96.8 Ų | 96.8 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.6 | -70.3 | -47.9 | 0 | 0 | 0 | 112 | Q368 L369 R374 Q375 V376 | Q368-Y372 HydrophobicContact CB-CE2 4.43Å; Q368-Y372 WeakPolarHBondContact O-CD2 3.48Å; Q368-Y372 PolarHBondContact O-N 3.39Å; L369-Y372 PolarHBondContact O-N 3.32Å; Y372-R374 VanDerWaalsContact C-N 3.3Å; Y372-R374 PolarHBondContact O-N 3.02Å; Y372-Q375 PolarHBondContact O-N 3.01Å; Y372-V376 VanDerWaalsContact O-CG2 3.32Å; Y372-V376 WeakPolarHBondContact O-CG2 3.5Å; Y372-V376 PolarHBondContact O-N 3.42Å |
| 373 | K | 94.8 | Very high | 94.2 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 172.7 | -76.2 | 177.9 | -174.8 | 170.1 | 0 | 111.6 | L369 E370 V376 V377 | L369-K373 WeakPolarHBondContact O-CG 3.45Å; L369-K373 PolarHBondContact O-N 2.92Å; E370-K373 PolarHBondContact O-N 2.94Å; E370-K373 IonicContact OE1-NZ 2.82Å; E370-K373 PolarHBondContact OE1-NZ 3.43Å; K373-V376 PolarHBondContact O-N 2.69Å; K373-V377 WeakPolarHBondContact O-CG2 3.4Å; K373-V377 PolarHBondContact O-N 3.45Å |
| 374 | R | 94.9 | Very high | 94.1 | Very high | 193 Ų | 193 | 98 Ų | 98 | 73% | 0.728 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 176.5 | -173.7 | 179 | -82.7 | 161.4 | -6.1 | 111.7 | E370 T371 Y372 V377 E378 | E370-R374 PolarHBondContact O-N 3.25Å; T371-R374 PolarHBondContact O-N 3.47Å; Y372-R374 VanDerWaalsContact C-N 3.3Å; Y372-R374 PolarHBondContact O-N 3.02Å; R374-V377 PolarHBondContact O-N 3.42Å; R374-E378 PolarHBondContact O-N 3.23Å |
| 375 | Q | 94.8 | Very high | 94 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.9 | -72.7 | 176.9 | 1.6 | 0 | 0 | 112.2 | T371 Y372 V377 E378 L379 | T371-Q375 WeakPolarHBondContact O-CG 3.46Å; T371-Q375 PolarHBondContact O-N 3.48Å; Y372-Q375 PolarHBondContact O-N 3.01Å; Q375-V377 VanDerWaalsContact C-N 3.35Å; Q375-V377 PolarHBondContact O-N 3.32Å; Q375-E378 PolarHBondContact O-N 3.11Å; Q375-L379 WeakPolarHBondContact O-CB 3.33Å; Q375-L379 WeakPolarHBondContact O-CG 3.43Å; Q375-L379 PolarHBondContact O-N 2.99Å |
| 376 | V | 93.9 | Very high | 93.8 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | Y372 K373 L379 Q380 | Y372-V376 VanDerWaalsContact O-CG2 3.32Å; Y372-V376 WeakPolarHBondContact O-CG2 3.5Å; Y372-V376 PolarHBondContact O-N 3.42Å; K373-V376 PolarHBondContact O-N 2.69Å; V376-L379 PolarHBondContact O-N 3.44Å; V376-Q380 WeakPolarHBondContact O-CB 3.44Å; V376-Q380 WeakPolarHBondContact O-CG 3.38Å; V376-Q380 PolarHBondContact O-N 2.94Å |
| 377 | V | 95.1 | Very high | 93.7 | Very high | 76 Ų | 76 | 100.7 Ų | 100.7 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | K373 R374 Q375 Q380 N381 | K373-V377 WeakPolarHBondContact O-CG2 3.4Å; K373-V377 PolarHBondContact O-N 3.45Å; R374-V377 PolarHBondContact O-N 3.42Å; Q375-V377 VanDerWaalsContact C-N 3.35Å; Q375-V377 PolarHBondContact O-N 3.32Å; V377-Q380 PolarHBondContact O-N 3.38Å; V377-N381 VanDerWaalsContact O-CG 3.3Å; V377-N381 PolarHBondContact O-N 3.33Å; V377-N381 PolarHBondContact O-ND2 3.07Å |
| 378 | E | 94.3 | Very high | 93.7 | Very high | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177.2 | -166.7 | -177.1 | 161.6 | 0 | 0 | 111.9 | R374 Q375 N381 R382 | R374-E378 PolarHBondContact O-N 3.23Å; Q375-E378 PolarHBondContact O-N 3.11Å; E378-N381 PolarHBondContact O-N 3.42Å; E378-R382 WeakPolarHBondContact O-CG 2.97Å; E378-R382 PolarHBondContact O-N 3.19Å; E378-R382 IonicContact OE1-CZ 3.63Å; E378-R382 IonicContact OE1-NE 3.67Å; E378-R382 IonicContact OE1-NH2 3.39Å; E378-R382 PolarHBondContact OE1-NH2 3.06Å |
| 379 | L | 93.5 | Very high | 93.7 | Very high | 108 Ų | 108 | 104.6 Ų | 104.6 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 174.5 | -73.2 | 173.6 | 0 | 0 | 0 | 112 | Q375 V376 N381 R382 L383 | Q375-L379 WeakPolarHBondContact O-CB 3.33Å; Q375-L379 WeakPolarHBondContact O-CG 3.43Å; Q375-L379 PolarHBondContact O-N 2.99Å; V376-L379 PolarHBondContact O-N 3.44Å; L379-N381 VanDerWaalsContact C-N 3.34Å; L379-R382 PolarHBondContact O-N 3.32Å; L379-L383 VanDerWaalsContact O-CB 3.3Å; L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 2.73Å |
| 380 | Q | 93.8 | Very high | 93.5 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 172.9 | -84.3 | 173.6 | -36.9 | 0 | 0 | 111.7 | V376 V377 L383 S384 | V376-Q380 WeakPolarHBondContact O-CB 3.44Å; V376-Q380 WeakPolarHBondContact O-CG 3.38Å; V376-Q380 PolarHBondContact O-N 2.94Å; V377-Q380 PolarHBondContact O-N 3.38Å; Q380-L383 PolarHBondContact O-N 3.12Å; Q380-S384 WeakPolarHBondContact O-CB 3.3Å; Q380-S384 PolarHBondContact O-N 2.9Å |
| 381 | N | 94.3 | Very high | 93.4 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 175.1 | -73.1 | -21.4 | 0 | 0 | 0 | 111.1 | V377 E378 L379 L383 S384 E385 | V377-N381 VanDerWaalsContact O-CG 3.3Å; V377-N381 PolarHBondContact O-N 3.33Å; V377-N381 PolarHBondContact O-ND2 3.07Å; E378-N381 PolarHBondContact O-N 3.42Å; L379-N381 VanDerWaalsContact C-N 3.34Å; N381-L383 VanDerWaalsContact C-N 3.34Å; N381-L383 PolarHBondContact O-N 2.92Å; N381-S384 WeakPolarHBondContact O-CB 3.47Å; N381-S384 PolarHBondContact O-N 3.44Å; N381-S384 VanDerWaalsContact O-N 3.11Å; N381-S384 PolarHBondContact O-OG 2.92Å; N381-E385 WeakPolarHBondContact O-CG 3.36Å; N381-E385 PolarHBondContact O-N 3.42Å |
| 382 | R | 94 | Very high | 93.3 | Very high | 138 Ų | 138 | 106.2 Ų | 106.2 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.3 | -72.7 | -177.4 | -170.4 | -175.4 | 4.9 | 112.2 | E378 L379 S384 E385 E386 | E378-R382 WeakPolarHBondContact O-CG 2.97Å; E378-R382 PolarHBondContact O-N 3.19Å; E378-R382 IonicContact OE1-CZ 3.63Å; E378-R382 IonicContact OE1-NE 3.67Å; E378-R382 IonicContact OE1-NH2 3.39Å; E378-R382 PolarHBondContact OE1-NH2 3.06Å; L379-R382 PolarHBondContact O-N 3.32Å; R382-S384 VanDerWaalsContact C-N 3.3Å; R382-S384 PolarHBondContact O-N 2.87Å; R382-E385 PolarHBondContact O-N 3.39Å; R382-E386 PolarHBondContact O-N 2.95Å |
| 383 | L | 91.4 | Very high | 93.1 | Very high | 125 Ų | 125 | 105 Ų | 105 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -42.3 | 175 | -178.4 | 65.9 | 0 | 0 | 0 | 110.8 | L379 Q380 N381 E385 E386 S387 | L379-L383 VanDerWaalsContact O-CB 3.3Å; L379-L383 WeakPolarHBondContact O-CB 3.32Å; L379-L383 PolarHBondContact O-N 2.73Å; Q380-L383 PolarHBondContact O-N 3.12Å; N381-L383 VanDerWaalsContact C-N 3.34Å; N381-L383 PolarHBondContact O-N 2.92Å; L383-E385 VanDerWaalsContact C-N 3.31Å; L383-E385 PolarHBondContact O-N 3.09Å; L383-E386 PolarHBondContact O-N 3.26Å; L383-S387 VanDerWaalsContact O-CB 3.28Å; L383-S387 WeakPolarHBondContact O-CB 3.41Å; L383-S387 PolarHBondContact O-N 2.86Å |
| 384 | S | 93.4 | Very high | 93 | Very high | 46 Ų | 46 | 104.8 Ų | 104.8 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 175.9 | 89.1 | 0 | 0 | 0 | 0 | 112.5 | Q380 N381 R382 K388 | Q380-S384 WeakPolarHBondContact O-CB 3.3Å; Q380-S384 PolarHBondContact O-N 2.9Å; N381-S384 WeakPolarHBondContact O-CB 3.47Å; N381-S384 PolarHBondContact O-N 3.44Å; N381-S384 VanDerWaalsContact O-N 3.11Å; N381-S384 PolarHBondContact O-OG 2.92Å; R382-S384 VanDerWaalsContact C-N 3.3Å; R382-S384 PolarHBondContact O-N 2.87Å; S384-K388 WeakPolarHBondContact O-CB 3.41Å; S384-K388 VanDerWaalsContact O-CG 3.25Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact O-N 3.29Å |
| 385 | E | 93.8 | Very high | 92.9 | Very high | 123 Ų | 123 | 102.2 Ų | 102.2 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.5 | -46 | 177.4 | -74 | 176.3 | 174 | 0 | 0 | 111.7 | N381 R382 L383 S387 K388 K389 | N381-E385 WeakPolarHBondContact O-CG 3.36Å; N381-E385 PolarHBondContact O-N 3.42Å; R382-E385 PolarHBondContact O-N 3.39Å; L383-E385 VanDerWaalsContact C-N 3.31Å; L383-E385 PolarHBondContact O-N 3.09Å; E385-S387 VanDerWaalsContact C-N 3.34Å; E385-K388 PolarHBondContact O-N 3.33Å; E385-K389 WeakPolarHBondContact O-CB 3.22Å; E385-K389 PolarHBondContact O-N 2.93Å |
| 386 | E | 89.1 | Confident | 92.8 | Very high | 111 Ų | 111 | 102.1 Ų | 102.1 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 174.4 | -75.2 | -59.1 | 142.4 | 0 | 0 | 111.6 | R382 L383 K389 A390 | R382-E386 PolarHBondContact O-N 2.95Å; L383-E386 PolarHBondContact O-N 3.26Å; E386-K389 PolarHBondContact O-N 3.42Å; E386-K389 IonicContact OE1-NZ 2.89Å; E386-K389 PolarHBondContact OE1-NZ 2.96Å; E386-K389 IonicContact OE2-NZ 3.46Å; E386-A390 WeakPolarHBondContact O-CB 3.48Å; E386-A390 PolarHBondContact O-N 3.14Å |
| 387 | S | 92.3 | Very high | 92.6 | Very high | 62 Ų | 62 | 105.7 Ų | 105.7 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -50.2 | 170.7 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | L383 E385 K389 A390 D391 | L383-S387 VanDerWaalsContact O-CB 3.28Å; L383-S387 WeakPolarHBondContact O-CB 3.41Å; L383-S387 PolarHBondContact O-N 2.86Å; E385-S387 VanDerWaalsContact C-N 3.34Å; S387-K389 PolarHBondContact O-N 2.89Å; S387-A390 WeakPolarHBondContact O-CB 3.37Å; S387-A390 PolarHBondContact O-N 3.15Å; S387-D391 PolarHBondContact O-N 2.91Å |
| 388 | K | 93.9 | Very high | 92.6 | Very high | 129 Ų | 129 | 107 Ų | 107 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -34.2 | 176.8 | -75.2 | 168.6 | -175.8 | 169 | 0 | 112.5 | S384 E385 K392 | S384-K388 WeakPolarHBondContact O-CB 3.41Å; S384-K388 VanDerWaalsContact O-CG 3.25Å; S384-K388 WeakPolarHBondContact O-CG 3.35Å; S384-K388 PolarHBondContact O-N 3.29Å; E385-K388 PolarHBondContact O-N 3.33Å; K388-K392 VanDerWaalsContact O-CG 3.3Å; K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 2.92Å; K388-K392 VanDerWaalsContact O-N 3.08Å |
| 389 | K | 93.5 | Very high | 92.5 | Very high | 108 Ų | 108 | 109.4 Ų | 109.4 | 47% | 0.47 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.7 | -41.1 | 177.3 | -174.5 | -178.3 | 170.5 | -164.4 | 0 | 111.3 | E385 E386 S387 D391 K392 M393 | E385-K389 WeakPolarHBondContact O-CB 3.22Å; E385-K389 PolarHBondContact O-N 2.93Å; E386-K389 PolarHBondContact O-N 3.42Å; E386-K389 IonicContact OE1-NZ 2.89Å; E386-K389 PolarHBondContact OE1-NZ 2.96Å; E386-K389 IonicContact OE2-NZ 3.46Å; S387-K389 PolarHBondContact O-N 2.89Å; K389-D391 VanDerWaalsContact C-N 3.35Å; K389-K392 PolarHBondContact O-N 2.88Å; K389-M393 WeakPolarHBondContact O-CG 3.24Å; K389-M393 PolarHBondContact O-N 3.38Å |
| 390 | A | 89.4 | Confident | 92.5 | Very high | 56 Ų | 56 | 109.2 Ų | 109.2 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E386 S387 K392 M393 E394 | E386-A390 WeakPolarHBondContact O-CB 3.48Å; E386-A390 PolarHBondContact O-N 3.14Å; S387-A390 WeakPolarHBondContact O-CB 3.37Å; S387-A390 PolarHBondContact O-N 3.15Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.26Å; A390-M393 PolarHBondContact O-N 2.94Å; A390-M393 VanDerWaalsContact O-N 3.17Å; A390-E394 WeakPolarHBondContact O-CB 3.46Å; A390-E394 PolarHBondContact O-N 3.33Å |
| 391 | D | 92.7 | Very high | 92.4 | Very high | 91 Ų | 91 | 108.7 Ų | 108.7 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 176.4 | -63.5 | -26.5 | 0 | 0 | 0 | 112 | S387 K389 E394 F395 | S387-D391 PolarHBondContact O-N 2.91Å; K389-D391 VanDerWaalsContact C-N 3.35Å; D391-E394 PolarHBondContact O-N 3.46Å; D391-F395 WeakPolarHBondContact O-CB 3.44Å; D391-F395 PolarHBondContact O-N 3.39Å |
| 392 | K | 93.6 | Very high | 92.4 | Very high | 145 Ų | 145 | 110.7 Ų | 110.7 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.9 | -46.6 | 174.8 | -76.9 | 173.8 | -177.5 | -179.1 | 0 | 112 | K388 K389 A390 E394 F395 E396 | K388-K392 VanDerWaalsContact O-CG 3.3Å; K388-K392 WeakPolarHBondContact O-CG 3.45Å; K388-K392 PolarHBondContact O-N 2.92Å; K388-K392 VanDerWaalsContact O-N 3.08Å; K389-K392 PolarHBondContact O-N 2.88Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.26Å; K392-E394 VanDerWaalsContact C-N 3.32Å; K392-E394 PolarHBondContact O-N 2.98Å; K392-F395 PolarHBondContact O-N 3.44Å; K392-E396 WeakPolarHBondContact O-CG 3.39Å; K392-E396 PolarHBondContact O-N 3.08Å |
| 393 | M | 89.3 | Confident | 92.4 | Very high | 112 Ų | 112 | 110.5 Ų | 110.5 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 177.8 | -70 | -60.7 | -136.3 | 0 | 0 | 111.6 | K389 A390 E396 Y397 | K389-M393 WeakPolarHBondContact O-CG 3.24Å; K389-M393 PolarHBondContact O-N 3.38Å; A390-M393 PolarHBondContact O-N 2.94Å; A390-M393 VanDerWaalsContact O-N 3.17Å; M393-E396 PolarHBondContact O-N 2.89Å; M393-Y397 VanDerWaalsContact O-CB 3.25Å; M393-Y397 WeakPolarHBondContact O-CB 3.36Å; M393-Y397 PolarHBondContact O-N 3.4Å |
| 394 | E | 92.6 | Very high | 92.4 | Very high | 95 Ų | 95 | 108.6 Ų | 108.6 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 174.7 | -165.6 | -169.3 | 153 | 0 | 0 | 111.3 | A390 D391 K392 Y397 K398 | A390-E394 WeakPolarHBondContact O-CB 3.46Å; A390-E394 PolarHBondContact O-N 3.33Å; D391-E394 PolarHBondContact O-N 3.46Å; K392-E394 VanDerWaalsContact C-N 3.32Å; K392-E394 PolarHBondContact O-N 2.98Å; E394-Y397 PolarHBondContact O-N 2.95Å; E394-K398 WeakPolarHBondContact O-CB 3.41Å; E394-K398 WeakPolarHBondContact O-CG 3.4Å; E394-K398 PolarHBondContact O-N 3.13Å; E394-K398 WeakPolarHBondContact OE1-CE 3.4Å; E394-K398 IonicContact OE1-NZ 2.68Å; E394-K398 PolarHBondContact OE1-NZ 2.87Å |
| 395 | F | 92.5 | Very high | 92.4 | Very high | 140 Ų | 140 | 110.1 Ų | 110.1 | 61% | 0.614 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 174.6 | -179.4 | -96.3 | 0 | 0 | 0 | 112.1 | D391 K392 Y397 K398 R399 | D391-F395 WeakPolarHBondContact O-CB 3.44Å; D391-F395 PolarHBondContact O-N 3.39Å; K392-F395 PolarHBondContact O-N 3.44Å; F395-Y397 VanDerWaalsContact C-N 3.33Å; F395-Y397 PolarHBondContact O-N 3.34Å; F395-K398 PolarHBondContact O-N 3.03Å; F395-R399 WeakPolarHBondContact O-CB 3.45Å; F395-R399 PolarHBondContact O-N 3.46Å |
| 396 | E | 92.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 107.2 Ų | 107.2 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.8 | -74.7 | -175.3 | 179.8 | 0 | 0 | 111.9 | K392 M393 R399 L400 | K392-E396 WeakPolarHBondContact O-CG 3.39Å; K392-E396 PolarHBondContact O-N 3.08Å; M393-E396 PolarHBondContact O-N 2.89Å; E396-R399 PolarHBondContact O-N 3.33Å; E396-L400 WeakPolarHBondContact O-CB 3.49Å; E396-L400 PolarHBondContact O-N 3.38Å |
| 397 | Y | 89.9 | Confident | 92.5 | Very high | 153 Ų | 153 | 106.3 Ų | 106.3 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -47 | 174.6 | 175.2 | -100.6 | 0 | 0 | 0 | 111.7 | M393 E394 F395 R399 L400 K401 | M393-Y397 VanDerWaalsContact O-CB 3.25Å; M393-Y397 WeakPolarHBondContact O-CB 3.36Å; M393-Y397 PolarHBondContact O-N 3.4Å; E394-Y397 PolarHBondContact O-N 2.95Å; F395-Y397 VanDerWaalsContact C-N 3.33Å; F395-Y397 PolarHBondContact O-N 3.34Å; Y397-R399 PolarHBondContact O-N 3.13Å; Y397-L400 PolarHBondContact O-N 2.96Å; Y397-K401 HydrophobicContact CE1-CD 4.37Å; Y397-K401 VanDerWaalsContact O-CB 3.28Å; Y397-K401 WeakPolarHBondContact O-CB 3.48Å; Y397-K401 PolarHBondContact O-N 3.34Å |
| 398 | K | 93.9 | Very high | 92.5 | Very high | 105 Ų | 105 | 106.8 Ų | 106.8 | 46% | 0.457 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 174.7 | -79 | 176.3 | -174.8 | 160.8 | 0 | 111.3 | E394 F395 L400 K401 E402 | E394-K398 WeakPolarHBondContact O-CB 3.41Å; E394-K398 WeakPolarHBondContact O-CG 3.4Å; E394-K398 PolarHBondContact O-N 3.13Å; E394-K398 WeakPolarHBondContact OE1-CE 3.4Å; E394-K398 IonicContact OE1-NZ 2.68Å; E394-K398 PolarHBondContact OE1-NZ 2.87Å; F395-K398 PolarHBondContact O-N 3.03Å; K398-L400 PolarHBondContact O-N 3.49Å; K398-K401 WeakPolarHBondContact O-CB 3.43Å; K398-K401 PolarHBondContact O-N 3.4Å; K398-E402 WeakPolarHBondContact O-CG 3.44Å; K398-E402 PolarHBondContact O-N 2.88Å |
| 399 | R | 93.6 | Very high | 92.4 | Very high | 143 Ų | 143 | 107.7 Ų | 107.7 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 177 | -170.6 | -173.8 | 73.7 | -179.8 | -0.7 | 112.3 | F395 E396 Y397 K403 | F395-R399 WeakPolarHBondContact O-CB 3.45Å; F395-R399 PolarHBondContact O-N 3.46Å; E396-R399 PolarHBondContact O-N 3.33Å; Y397-R399 PolarHBondContact O-N 3.13Å; R399-K403 PolarHBondContact O-N 3.39Å |
| 400 | L | 91.9 | Very high | 92.3 | Very high | 105 Ų | 105 | 108 Ų | 108 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 177.5 | -130.6 | 77.8 | 0 | 0 | 0 | 110.9 | E396 Y397 K398 K403 V404 | E396-L400 WeakPolarHBondContact O-CB 3.49Å; E396-L400 PolarHBondContact O-N 3.38Å; Y397-L400 PolarHBondContact O-N 2.96Å; K398-L400 PolarHBondContact O-N 3.49Å; L400-K403 WeakPolarHBondContact O-CB 3.22Å; L400-K403 PolarHBondContact O-N 3.28Å; L400-V404 WeakPolarHBondContact O-CG2 3.34Å; L400-V404 PolarHBondContact O-N 3.07Å |
| 401 | K | 92.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 110.2 Ų | 110.2 | 47% | 0.465 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 176.1 | -174.6 | 179.5 | 178.7 | -176.5 | 0 | 111.4 | Y397 K398 K403 V404 D405 | Y397-K401 HydrophobicContact CE1-CD 4.37Å; Y397-K401 VanDerWaalsContact O-CB 3.28Å; Y397-K401 WeakPolarHBondContact O-CB 3.48Å; Y397-K401 PolarHBondContact O-N 3.34Å; K398-K401 WeakPolarHBondContact O-CB 3.43Å; K398-K401 PolarHBondContact O-N 3.4Å; K401-K403 VanDerWaalsContact C-N 3.27Å; K401-K403 PolarHBondContact O-N 3.45Å; K401-V404 PolarHBondContact O-N 3.19Å; K401-V404 VanDerWaalsContact O-N 3.14Å; K401-D405 WeakPolarHBondContact O-CB 3.31Å; K401-D405 VanDerWaalsContact O-CG 3.29Å; K401-D405 PolarHBondContact O-N 3.48Å |
| 402 | E | 93.8 | Very high | 92.3 | Very high | 132 Ų | 132 | 108.8 Ų | 108.8 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.1 | -40.4 | 173.9 | -74.1 | 171.6 | -178.3 | 0 | 0 | 111.9 | K398 D405 S406 | K398-E402 WeakPolarHBondContact O-CG 3.44Å; K398-E402 PolarHBondContact O-N 2.88Å; E402-D405 PolarHBondContact O-N 2.93Å; E402-S406 WeakPolarHBondContact O-CB 3.34Å; E402-S406 PolarHBondContact O-N 3.02Å; E402-S406 PolarHBondContact O-OG 2.79Å |
| 403 | K | 94.2 | Very high | 92.2 | Very high | 134 Ų | 134 | 110.2 Ų | 110.2 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -44.8 | 174.7 | -170.8 | 172.6 | -176.6 | 177.3 | 0 | 111.7 | R399 L400 K401 S406 L407 | R399-K403 PolarHBondContact O-N 3.39Å; L400-K403 WeakPolarHBondContact O-CB 3.22Å; L400-K403 PolarHBondContact O-N 3.28Å; K401-K403 VanDerWaalsContact C-N 3.27Å; K401-K403 PolarHBondContact O-N 3.45Å; K403-S406 WeakPolarHBondContact CA-OG 3.5Å; K403-S406 PolarHBondContact O-N 2.85Å; K403-S406 PolarHBondContact O-OG 3.16Å; K403-L407 HydrophobicContact CG-CD1 4.36Å; K403-L407 WeakPolarHBondContact O-CG 3.4Å; K403-L407 PolarHBondContact O-N 3.06Å |
| 404 | V | 91.5 | Very high | 92.3 | Very high | 85 Ų | 85 | 110.1 Ų | 110.1 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L400 K401 S406 L407 Q408 | L400-V404 WeakPolarHBondContact O-CG2 3.34Å; L400-V404 PolarHBondContact O-N 3.07Å; K401-V404 PolarHBondContact O-N 3.19Å; K401-V404 VanDerWaalsContact O-N 3.14Å; V404-S406 VanDerWaalsContact C-N 3.31Å; V404-S406 PolarHBondContact O-N 3.1Å; V404-L407 PolarHBondContact O-N 3.11Å; V404-Q408 VanDerWaalsContact O-CB 3.27Å; V404-Q408 WeakPolarHBondContact O-CB 3.41Å; V404-Q408 PolarHBondContact O-N 3.07Å |
| 405 | D | 93.4 | Very high | 92.1 | Very high | 77 Ų | 77 | 111.8 Ų | 111.8 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 177.5 | -70.5 | -17.6 | 0 | 0 | 0 | 111.3 | K401 E402 Q408 K409 | K401-D405 WeakPolarHBondContact O-CB 3.31Å; K401-D405 VanDerWaalsContact O-CG 3.29Å; K401-D405 PolarHBondContact O-N 3.48Å; E402-D405 PolarHBondContact O-N 2.93Å; D405-Q408 PolarHBondContact O-N 3.43Å; D405-K409 WeakPolarHBondContact O-CG 3.49Å; D405-K409 PolarHBondContact O-N 3Å |
| 406 | S | 92.6 | Very high | 91.9 | Very high | 62 Ų | 62 | 109.2 Ų | 109.2 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 175.6 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | E402 K403 V404 Q408 K409 E410 | E402-S406 WeakPolarHBondContact O-CB 3.34Å; E402-S406 PolarHBondContact O-N 3.02Å; E402-S406 PolarHBondContact O-OG 2.79Å; K403-S406 WeakPolarHBondContact CA-OG 3.5Å; K403-S406 PolarHBondContact O-N 2.85Å; K403-S406 PolarHBondContact O-OG 3.16Å; V404-S406 VanDerWaalsContact C-N 3.31Å; V404-S406 PolarHBondContact O-N 3.1Å; S406-Q408 VanDerWaalsContact C-N 3.31Å; S406-Q408 PolarHBondContact O-N 3.19Å; S406-K409 PolarHBondContact O-N 3.42Å; S406-E410 PolarHBondContact O-N 3.31Å |
| 407 | L | 92.3 | Very high | 91.7 | Very high | 93 Ų | 93 | 109.2 Ų | 109.2 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 175.2 | -72.6 | 171.3 | 0 | 0 | 0 | 111.4 | K403 V404 E410 K411 | K403-L407 HydrophobicContact CG-CD1 4.36Å; K403-L407 WeakPolarHBondContact O-CG 3.4Å; K403-L407 PolarHBondContact O-N 3.06Å; V404-L407 PolarHBondContact O-N 3.11Å; L407-E410 PolarHBondContact O-N 2.67Å; L407-K411 VanDerWaalsContact O-CB 3.32Å; L407-K411 WeakPolarHBondContact O-CB 3.48Å; L407-K411 PolarHBondContact O-N 2.95Å |
| 408 | Q | 92.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 107.1 Ų | 107.1 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 175.6 | -177.7 | 52.1 | 38.9 | 0 | 0 | 110.7 | V404 D405 S406 E410 K411 D412 | V404-Q408 VanDerWaalsContact O-CB 3.27Å; V404-Q408 WeakPolarHBondContact O-CB 3.41Å; V404-Q408 PolarHBondContact O-N 3.07Å; D405-Q408 PolarHBondContact O-N 3.43Å; S406-Q408 VanDerWaalsContact C-N 3.31Å; S406-Q408 PolarHBondContact O-N 3.19Å; Q408-E410 PolarHBondContact O-N 3.48Å; Q408-K411 WeakPolarHBondContact O-CB 3.5Å; Q408-K411 PolarHBondContact O-N 2.83Å; Q408-D412 PolarHBondContact NE2-OD1 3.26Å; Q408-D412 PolarHBondContact NE2-OD2 3.24Å; Q408-D412 WeakPolarHBondContact O-CB 3.42Å; Q408-D412 PolarHBondContact O-N 3.38Å |
| 409 | K | 92.8 | Very high | 91.3 | Very high | 148 Ų | 148 | 105.2 Ų | 105.2 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 172.2 | -74.3 | 173.9 | -177.1 | 176.7 | 0 | 112.5 | D405 S406 D412 R413 | D405-K409 WeakPolarHBondContact O-CG 3.49Å; D405-K409 PolarHBondContact O-N 3Å; S406-K409 PolarHBondContact O-N 3.42Å; K409-D412 PolarHBondContact O-N 3.28Å; K409-R413 WeakPolarHBondContact O-CG 3.35Å; K409-R413 PolarHBondContact O-N 2.99Å |
| 410 | E | 90.4 | Very high | 91 | Very high | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 175.5 | -172.4 | 178 | -176.7 | 0 | 0 | 111.3 | S406 L407 Q408 D412 R413 M414 | S406-E410 PolarHBondContact O-N 3.31Å; L407-E410 PolarHBondContact O-N 2.67Å; Q408-E410 PolarHBondContact O-N 3.48Å; E410-D412 VanDerWaalsContact C-N 3.28Å; E410-D412 PolarHBondContact O-N 3.35Å; E410-R413 WeakPolarHBondContact O-CB 3.42Å; E410-R413 PolarHBondContact O-N 3Å; E410-R413 VanDerWaalsContact O-N 3.16Å; E410-M414 WeakPolarHBondContact O-CG 3.41Å; E410-M414 PolarHBondContact O-N 2.89Å |
| 411 | K | 91.1 | Very high | 90.6 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56 | -44.7 | 173.4 | -168.3 | -166.1 | 88 | -164.6 | 0 | 111.4 | L407 Q408 M414 R415 | L407-K411 VanDerWaalsContact O-CB 3.32Å; L407-K411 WeakPolarHBondContact O-CB 3.48Å; L407-K411 PolarHBondContact O-N 2.95Å; Q408-K411 WeakPolarHBondContact O-CB 3.5Å; Q408-K411 PolarHBondContact O-N 2.83Å; K411-M414 PolarHBondContact O-N 3.06Å; K411-R415 VanDerWaalsContact O-CB 3.28Å; K411-R415 WeakPolarHBondContact O-CB 3.46Å; K411-R415 PolarHBondContact O-N 3.47Å |
| 412 | D | 91.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 101 Ų | 101 | 33% | 0.326 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 179.7 | -65.6 | -21.4 | 0 | 0 | 0 | 111.2 | Q408 K409 E410 R415 T416 | Q408-D412 PolarHBondContact NE2-OD1 3.26Å; Q408-D412 PolarHBondContact NE2-OD2 3.24Å; Q408-D412 WeakPolarHBondContact O-CB 3.42Å; Q408-D412 PolarHBondContact O-N 3.38Å; K409-D412 PolarHBondContact O-N 3.28Å; E410-D412 VanDerWaalsContact C-N 3.28Å; E410-D412 PolarHBondContact O-N 3.35Å; D412-R415 WeakPolarHBondContact O-CB 3.37Å; D412-R415 PolarHBondContact O-N 2.93Å; D412-T416 WeakPolarHBondContact O-CG2 3.4Å; D412-T416 PolarHBondContact O-N 2.88Å; D412-T416 PolarHBondContact O-OG1 3.43Å |
| 413 | R | 92.1 | Very high | 89.6 | Confident | 175 Ų | 175 | 100.2 Ų | 100.2 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.6 | -50.1 | 169.6 | -78.9 | -178 | -176.6 | 176.8 | 0.1 | 112.7 | K409 E410 R415 T416 E417 | K409-R413 WeakPolarHBondContact O-CG 3.35Å; K409-R413 PolarHBondContact O-N 2.99Å; E410-R413 WeakPolarHBondContact O-CB 3.42Å; E410-R413 PolarHBondContact O-N 3Å; E410-R413 VanDerWaalsContact O-N 3.16Å; R413-R415 PolarHBondContact O-N 3.01Å; R413-T416 WeakPolarHBondContact CA-OG1 3.34Å; R413-T416 CarbonylContact O-C 3.53Å; R413-T416 PolarHBondContact O-N 2.76Å; R413-T416 VanDerWaalsContact O-N 3.09Å; R413-T416 PolarHBondContact O-OG1 3.46Å; R413-E417 WeakPolarHBondContact O-CG 3.34Å; R413-E417 PolarHBondContact O-N 3.25Å |
| 414 | M | 90.4 | Very high | 88.9 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.6 | -34 | 176.8 | -65.6 | -56.8 | -66 | 0 | 0 | 111.2 | E410 K411 R418 | E410-M414 WeakPolarHBondContact O-CG 3.41Å; E410-M414 PolarHBondContact O-N 2.89Å; K411-M414 PolarHBondContact O-N 3.06Å; M414-R418 WeakPolarHBondContact O-CB 3.3Å; M414-R418 PolarHBondContact O-N 3.48Å |
| 415 | R | 88.8 | Confident | 88.2 | Confident | 130 Ų | 130 | 97 Ų | 97 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 173.7 | -172 | -176.4 | -92.1 | 179.9 | -9.9 | 111.3 | K411 D412 R413 R418 D419 | K411-R415 VanDerWaalsContact O-CB 3.28Å; K411-R415 WeakPolarHBondContact O-CB 3.46Å; K411-R415 PolarHBondContact O-N 3.47Å; D412-R415 WeakPolarHBondContact O-CB 3.37Å; D412-R415 PolarHBondContact O-N 2.93Å; R413-R415 PolarHBondContact O-N 3.01Å; R415-R418 WeakPolarHBondContact O-CB 3.46Å; R415-R418 PolarHBondContact O-N 3.41Å; R415-R418 PolarHBondContact O-NE 3.29Å; R415-D419 VanDerWaalsContact O-CG 3.26Å; R415-D419 PolarHBondContact O-N 3.28Å |
| 416 | T | 89.3 | Confident | 87.5 | Confident | 87 Ų | 87 | 99.2 Ų | 99.2 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | D412 R413 D419 S420 | D412-T416 WeakPolarHBondContact O-CG2 3.4Å; D412-T416 PolarHBondContact O-N 2.88Å; D412-T416 PolarHBondContact O-OG1 3.43Å; R413-T416 WeakPolarHBondContact CA-OG1 3.34Å; R413-T416 CarbonylContact O-C 3.53Å; R413-T416 PolarHBondContact O-N 2.76Å; R413-T416 VanDerWaalsContact O-N 3.09Å; R413-T416 PolarHBondContact O-OG1 3.46Å; T416-D419 PolarHBondContact O-N 3.47Å; T416-S420 PolarHBondContact O-N 3.15Å; T416-S420 PolarHBondContact O-OG 3.04Å |
| 417 | E | 86.9 | Confident | 86.8 | Confident | 99 Ų | 99 | 101.6 Ų | 101.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 175 | -75.9 | 177.4 | -168.7 | 0 | 0 | 110.5 | R413 D419 S420 L421 | R413-E417 WeakPolarHBondContact O-CG 3.34Å; R413-E417 PolarHBondContact O-N 3.25Å; E417-D419 VanDerWaalsContact C-N 3.31Å; E417-D419 PolarHBondContact O-N 3.44Å; E417-S420 WeakPolarHBondContact CA-OG 3.46Å; E417-S420 PolarHBondContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 3.27Å; E417-L421 WeakPolarHBondContact O-CB 3.42Å; E417-L421 WeakPolarHBondContact O-CG 3.49Å; E417-L421 PolarHBondContact O-N 3.15Å |
| 418 | R | 88.1 | Confident | 85.8 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.6 | -45 | 172.1 | 173.9 | -142.4 | 59.8 | 172 | -5.8 | 111.7 | M414 R415 L421 K422 | M414-R418 WeakPolarHBondContact O-CB 3.3Å; M414-R418 PolarHBondContact O-N 3.48Å; R415-R418 WeakPolarHBondContact O-CB 3.46Å; R415-R418 PolarHBondContact O-N 3.41Å; R415-R418 PolarHBondContact O-NE 3.29Å; R418-L421 PolarHBondContact O-N 3.25Å; R418-K422 WeakPolarHBondContact O-CG 3.44Å; R418-K422 PolarHBondContact O-N 2.62Å |
| 419 | D | 88.8 | Confident | 84.7 | Confident | 66 Ų | 66 | 104.7 Ų | 104.7 | 35% | 0.353 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 179.7 | -70.5 | -24.8 | 0 | 0 | 0 | 112 | R415 T416 E417 L421 K422 E423 | R415-D419 VanDerWaalsContact O-CG 3.26Å; R415-D419 PolarHBondContact O-N 3.28Å; T416-D419 PolarHBondContact O-N 3.47Å; E417-D419 VanDerWaalsContact C-N 3.31Å; E417-D419 PolarHBondContact O-N 3.44Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.34Å; D419-K422 WeakPolarHBondContact O-CB 2.9Å; D419-K422 PolarHBondContact O-N 3.03Å; D419-E423 WeakPolarHBondContact O-CB 3.47Å; D419-E423 PolarHBondContact O-N 3.39Å |
| 420 | S | 86 | Confident | 83.1 | Confident | 56 Ų | 56 | 101.8 Ų | 101.8 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 173.2 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | T416 E417 E423 T424 | T416-S420 PolarHBondContact O-N 3.15Å; T416-S420 PolarHBondContact O-OG 3.04Å; E417-S420 WeakPolarHBondContact CA-OG 3.46Å; E417-S420 PolarHBondContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 3.27Å; S420-E423 WeakPolarHBondContact O-CB 3.34Å; S420-E423 PolarHBondContact O-N 3.26Å; S420-T424 WeakPolarHBondContact O-CG2 3.42Å; S420-T424 PolarHBondContact O-N 3.12Å; S420-T424 PolarHBondContact O-OG1 2.9Å |
| 421 | L | 84.7 | Confident | 81.7 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 175.5 | -74.5 | 172.1 | 0 | 0 | 0 | 111.4 | E417 R418 D419 E423 T424 I425 | E417-L421 WeakPolarHBondContact O-CB 3.42Å; E417-L421 WeakPolarHBondContact O-CG 3.49Å; E417-L421 PolarHBondContact O-N 3.15Å; R418-L421 PolarHBondContact O-N 3.25Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.34Å; L421-E423 VanDerWaalsContact C-N 3.32Å; L421-T424 WeakPolarHBondContact CA-OG1 3.34Å; L421-T424 PolarHBondContact O-N 3.49Å; L421-T424 PolarHBondContact O-OG1 3.34Å; L421-I425 WeakPolarHBondContact O-CB 3.23Å; L421-I425 VanDerWaalsContact O-CG1 3.25Å; L421-I425 WeakPolarHBondContact O-CG1 3.42Å; L421-I425 PolarHBondContact O-N 3.03Å |
| 422 | K | 85 | Confident | 80.1 | Confident | 105 Ų | 105 | 102.3 Ų | 102.3 | 46% | 0.457 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 171.2 | -77.4 | 178.4 | 172.7 | -166.8 | 0 | 111.2 | R418 D419 I425 E426 | R418-K422 WeakPolarHBondContact O-CG 3.44Å; R418-K422 PolarHBondContact O-N 2.62Å; D419-K422 WeakPolarHBondContact O-CB 2.9Å; D419-K422 PolarHBondContact O-N 3.03Å; K422-I425 PolarHBondContact O-N 2.99Å; K422-E426 WeakPolarHBondContact O-CG 3.31Å; K422-E426 PolarHBondContact O-N 3.26Å |
| 423 | E | 80.2 | Confident | 78.4 | Confident | 116 Ų | 116 | 103.1 Ų | 103.1 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.7 | -170 | 174.2 | -163.6 | 0 | 0 | 110.9 | D419 S420 L421 I425 E426 E427 | D419-E423 WeakPolarHBondContact O-CB 3.47Å; D419-E423 PolarHBondContact O-N 3.39Å; S420-E423 WeakPolarHBondContact O-CB 3.34Å; S420-E423 PolarHBondContact O-N 3.26Å; L421-E423 VanDerWaalsContact C-N 3.32Å; E423-I425 VanDerWaalsContact C-N 3.32Å; E423-I425 PolarHBondContact O-N 3.37Å; E423-E426 CarbonylContact O-C 3.58Å; E423-E426 WeakPolarHBondContact O-CB 3.31Å; E423-E426 PolarHBondContact O-N 3.3Å; E423-E426 VanDerWaalsContact O-N 3.14Å; E423-E427 WeakPolarHBondContact O-CG 3.26Å; E423-E427 PolarHBondContact O-N 3.14Å |
| 424 | T | 78.7 | Confident | 76.4 | Confident | 60 Ų | 60 | 102.5 Ų | 102.5 | 37% | 0.368 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -33 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | S420 L421 L428 | S420-T424 WeakPolarHBondContact O-CG2 3.42Å; S420-T424 PolarHBondContact O-N 3.12Å; S420-T424 PolarHBondContact O-OG1 2.9Å; L421-T424 WeakPolarHBondContact CA-OG1 3.34Å; L421-T424 PolarHBondContact O-N 3.49Å; L421-T424 PolarHBondContact O-OG1 3.34Å; T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 2.91Å |
| 425 | I | 77.3 | Confident | 74.2 | Confident | 90 Ų | 90 | 105.6 Ų | 105.6 | 46% | 0.462 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 174.1 | -71.9 | 165.4 | 0 | 0 | 0 | 109.9 | L421 K422 E423 L428 H429 | L421-I425 WeakPolarHBondContact O-CB 3.23Å; L421-I425 VanDerWaalsContact O-CG1 3.25Å; L421-I425 WeakPolarHBondContact O-CG1 3.42Å; L421-I425 PolarHBondContact O-N 3.03Å; K422-I425 PolarHBondContact O-N 2.99Å; E423-I425 VanDerWaalsContact C-N 3.32Å; E423-I425 PolarHBondContact O-N 3.37Å; I425-L428 PolarHBondContact O-N 2.93Å; I425-H429 WeakPolarHBondContact O-CB 3.43Å; I425-H429 PolarHBondContact O-N 2.64Å |
| 426 | E | 78.9 | Confident | 72.1 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 174.6 | -73.1 | 171.3 | -167.9 | 0 | 0 | 111.3 | K422 E423 H429 C430 | K422-E426 WeakPolarHBondContact O-CG 3.31Å; K422-E426 PolarHBondContact O-N 3.26Å; E423-E426 CarbonylContact O-C 3.58Å; E423-E426 WeakPolarHBondContact O-CB 3.31Å; E423-E426 PolarHBondContact O-N 3.3Å; E423-E426 VanDerWaalsContact O-N 3.14Å; E426-H429 PolarHBondContact O-N 3.04Å; E426-C430 PolarHBondContact O-N 3.02Å |
| 427 | E | 77.1 | Confident | 69.7 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.523 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.4 | -45.3 | 173 | -72.9 | -179.1 | 163.2 | 0 | 0 | 112 | E423 H429 C430 V431 | E423-E427 WeakPolarHBondContact O-CG 3.26Å; E423-E427 PolarHBondContact O-N 3.14Å; E427-H429 PolarHBondContact O-N 3.23Å; E427-C430 CarbonylContact O-C 3.58Å; E427-C430 WeakPolarHBondContact O-CA 3.37Å; E427-C430 WeakPolarHBondContact O-CB 3.21Å; E427-C430 PolarHBondContact O-N 3.12Å; E427-C430 VanDerWaalsContact O-N 3.11Å; E427-V431 WeakPolarHBondContact O-CG2 3.46Å; E427-V431 PolarHBondContact O-N 2.89Å |
| 428 | L | 72.3 | Confident | 67.6 | Low | 111 Ų | 111 | 110 Ų | 110 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -39.1 | 176.1 | -76.2 | 170 | 0 | 0 | 0 | 111.9 | T424 I425 C430 V431 Q432 | T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 2.91Å; I425-L428 PolarHBondContact O-N 2.93Å; L428-C430 VanDerWaalsContact C-N 3.32Å; L428-C430 PolarHBondContact O-N 3.2Å; L428-V431 PolarHBondContact O-N 3.24Å; L428-Q432 VanDerWaalsContact O-CB 3.26Å; L428-Q432 WeakPolarHBondContact O-CB 3.21Å; L428-Q432 PolarHBondContact O-N 3.33Å |
| 429 | H | 69 | Low | 64.7 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.4 | -38.1 | 171 | -77.1 | 161.4 | 0 | 0 | 0 | 112 | I425 E426 E427 A433 | I425-H429 WeakPolarHBondContact O-CB 3.43Å; I425-H429 PolarHBondContact O-N 2.64Å; E426-H429 PolarHBondContact O-N 3.04Å; E427-H429 PolarHBondContact O-N 3.23Å; H429-A433 VanDerWaalsContact O-CB 3.31Å; H429-A433 WeakPolarHBondContact O-CB 3.4Å; H429-A433 PolarHBondContact O-N 2.98Å |
| 430 | C | 58.3 | Low | 61.9 | Low | 86 Ų | 86 | 112.9 Ų | 112.9 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -42.2 | 173.6 | -87.1 | 0 | 0 | 0 | 0 | 112.6 | E426 E427 L428 A433 Q434 | E426-C430 PolarHBondContact O-N 3.02Å; E427-C430 CarbonylContact O-C 3.58Å; E427-C430 WeakPolarHBondContact O-CA 3.37Å; E427-C430 WeakPolarHBondContact O-CB 3.21Å; E427-C430 PolarHBondContact O-N 3.12Å; E427-C430 VanDerWaalsContact O-N 3.11Å; L428-C430 VanDerWaalsContact C-N 3.32Å; L428-C430 PolarHBondContact O-N 3.2Å; C430-A433 PolarHBondContact O-N 3.45Å; C430-Q434 WeakPolarHBondContact O-CB 3.4Å; C430-Q434 PolarHBondContact O-N 3.32Å |
| 431 | V | 61.3 | Low | 59.1 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.9 | -40.1 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | E427 L428 A433 Q434 E435 | E427-V431 WeakPolarHBondContact O-CG2 3.46Å; E427-V431 PolarHBondContact O-N 2.89Å; L428-V431 PolarHBondContact O-N 3.24Å; V431-A433 VanDerWaalsContact C-N 3.29Å; V431-A433 PolarHBondContact O-N 3.23Å; V431-Q434 PolarHBondContact O-N 3.44Å; V431-E435 PolarHBondContact O-N 2.92Å |
| 432 | Q | 57.7 | Low | 56.5 | Low | 152 Ų | 152 | 118 Ų | 118 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.4 | -26.4 | 177.1 | -149.5 | 170.5 | 34.1 | 0 | 0 | 112.4 | L428 | L428-Q432 VanDerWaalsContact O-CB 3.26Å; L428-Q432 WeakPolarHBondContact O-CB 3.21Å; L428-Q432 PolarHBondContact O-N 3.33Å |
| 433 | A | 56 | Low | 53.9 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 65% | 0.645 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.7 | -21.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H429 C430 V431 | H429-A433 VanDerWaalsContact O-CB 3.31Å; H429-A433 WeakPolarHBondContact O-CB 3.4Å; H429-A433 PolarHBondContact O-N 2.98Å; C430-A433 PolarHBondContact O-N 3.45Å; V431-A433 VanDerWaalsContact C-N 3.29Å; V431-A433 PolarHBondContact O-N 3.23Å |
| 434 | Q | 49.4 | Very low | 51.8 | Low | 162 Ų | 162 | 122.1 Ų | 122.1 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88 | -21.9 | -176.3 | -118.5 | 172.5 | 1.6 | 0 | 0 | 114.9 | C430 V431 | C430-Q434 WeakPolarHBondContact O-CB 3.4Å; C430-Q434 PolarHBondContact O-N 3.32Å; V431-Q434 PolarHBondContact O-N 3.44Å |
| 435 | E | 44.1 | Very low | 49.8 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -89.4 | -1.8 | -179.8 | -75.9 | -171.9 | 151.9 | 0 | 0 | 114.9 | V431 | V431-E435 PolarHBondContact O-N 2.92Š|
| 436 | G | 44.3 | Very low | 47.7 | Very low | 52 Ų | 52 | 127.2 Ų | 127.2 | 54% | 0.536 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -96.9 | 85.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 437 | Q | 40.7 | Very low | 45.8 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | 66.8 | 101.1 | 158.2 | -56.8 | 169.1 | -21.4 | 0 | 0 | 115.4 | T439 | Q437-T439 VanDerWaalsContact C-N 3.27Š| ||
| 438 | L | 41.5 | Very low | 44 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 95% | 0.948 | 73% | 0.727 | S | S | * | * | cis | 40.4 | 47.7 | 43.4 | -73.2 | 171.2 | 0 | 0 | 0 | 114.4 | ||||
| 439 | T | 28.1 | Very low | 42.5 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | -122.6 | 127.4 | 125.1 | 45.7 | 0 | 0 | 0 | 0 | 108.8 | Q437 | Q437-T439 VanDerWaalsContact C-N 3.27Š| |||
| 440 | S | 29 | Very low | 40.8 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 83.8 | 103.2 | 166.5 | -154.1 | 0 | 0 | 0 | 0 | 118.2 | ||
| 441 | S | 26.8 | Very low | 40.2 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 78 | 87.5 | 134.4 | -55.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 442 | L | 31.1 | Very low | 38.8 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | 34.6 | 92.9 | 126.3 | -77.7 | 148.1 | 0 | 0 | 0 | 119.2 | |||||
| 443 | F | 29.7 | Very low | 38 | Very low | 198 Ų | 198 | 127.7 Ų | 127.7 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | 40.7 | 109.9 | 137.1 | -80.1 | -85.8 | 0 | 0 | 0 | 121.6 | ||||
| 444 | P | 36.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -125.8 | 150.6 | 137.8 | 33 | -18.5 | 0 | 0 | 0 | 113.5 | ||||
| 445 | L | 37.7 | Very low | 36.5 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | 37 | 123.1 | 140.1 | -68.3 | 150.3 | 0 | 0 | 0 | 120.6 | ||||
| 446 | G | 33.3 | Very low | 36.5 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -85.2 | 111.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 447 | G | 37.4 | Very low | 36.5 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | -86.2 | 153.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 448 | S | 39.7 | Very low | 36.9 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | 93.5 | 134 | 85.6 | 175 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 449 | E | 41.6 | Very low | 37.3 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | cis | -170.6 | 171.5 | 15.8 | -125.9 | 164.7 | -138.1 | 0 | 0 | 110.9 | ||||
| 450 | G | 33.8 | Very low | 38.8 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 164.8 | 58.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 451 | S | 45.1 | Very low | 40.4 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | 55.8 | 130.4 | 131.8 | 169.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 452 | D | 31.8 | Very low | 42.2 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | cis | -157.6 | 151.6 | 40 | -129.6 | 3.4 | 0 | 0 | 0 | 111.8 | ||||
| 453 | S | 40.6 | Very low | 43.7 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -112.7 | 161.6 | -168.5 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 454 | L | 37.9 | Very low | 45.3 | Very low | 164 Ų | 164 | 120 Ų | 120 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | trans | 88.1 | 83.9 | 139 | -148.1 | 75.3 | 0 | 0 | 0 | 119.9 | ||||
| 455 | A | 36.7 | Very low | 46.9 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | trans | -166.7 | 41.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 456 | A | 43.9 | Very low | 48.5 | Very low | 106 Ų | 106 | 117.1 Ų | 117.1 | 88% | 0.876 | 71% | 0.706 | S | S | * | * | trans | -141.6 | 31.7 | -178 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 457 | E | 44.5 | Very low | 50.4 | Low | 183 Ų | 183 | 117.5 Ų | 117.5 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | trans | -143.9 | 55.5 | 177.6 | -150.9 | 172.7 | -157.4 | 0 | 0 | 115 | ||||
| 458 | I | 49.1 | Very low | 52.3 | Low | 169 Ų | 169 | 119.5 Ų | 119.5 | 87% | 0.867 | 68% | 0.682 | S | S | * | * | trans | -147.2 | 80.5 | 153.4 | -48.2 | 177.9 | 0 | 0 | 0 | 109.9 | ||||
| 459 | T | 50.1 | Low | 54.1 | Low | 88 Ų | 88 | 121.1 Ų | 121.1 | 54% | 0.54 | 67% | 0.672 | S | S | . | * | trans | -147.8 | 126.2 | 156.1 | 42 | 0 | 0 | 0 | 0 | 110.1 | R464 | T459-R464 PolarHBondContact O-NE 3.44Å; T459-R464 PolarHBondContact O-NH2 2.93Å | ||
| 460 | T | 57.8 | Low | 55.6 | Low | 82 Ų | 82 | 116.1 Ų | 116.1 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | trans | -66.5 | 152.8 | -176.1 | 33.1 | 0 | 0 | 0 | 0 | 113.1 | E462 I463 | T460-E462 PolarHBondContact O-N 2.89Å; T460-I463 PolarHBondContact O-N 3.41Å | ||
| 461 | P | 63.2 | Low | 57.6 | Low | 86 Ų | 86 | 118.3 Ų | 118.3 | 56% | 0.558 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.7 | -33.4 | -169.7 | -20.5 | 32.4 | 0 | 0 | 0 | 114.8 | I463 R464 E465 | P461-I463 VanDerWaalsContact C-N 3.32Å; P461-I463 PolarHBondContact O-N 3.42Å; P461-R464 PolarHBondContact O-N 2.96Å; P461-E465 PolarHBondContact O-N 2.98Å; P461-E465 VanDerWaalsContact O-N 3.17Å |
| 462 | E | 64.4 | Low | 59.1 | Low | 137 Ų | 137 | 118.8 Ų | 118.8 | 64% | 0.64 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.3 | -31.6 | -176.1 | -60.8 | 79.7 | -168.2 | 0 | 0 | 112.5 | T460 H466 | T460-E462 PolarHBondContact O-N 2.89Å; E462-H466 PolarHBondContact O-N 2.99Å |
| 463 | I | 63.4 | Low | 61.4 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 55% | 0.549 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -74.4 | -35.1 | 176.6 | -61.1 | 175.6 | 0 | 0 | 0 | 110.4 | T460 P461 H466 L467 | T460-I463 PolarHBondContact O-N 3.41Å; P461-I463 VanDerWaalsContact C-N 3.32Å; P461-I463 PolarHBondContact O-N 3.42Å; I463-H466 PolarHBondContact O-N 3.38Å; I463-L467 VanDerWaalsContact O-CB 3.24Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 PolarHBondContact O-N 3.19Å |
| 464 | R | 63.7 | Low | 62.8 | Low | 135 Ų | 135 | 116.6 Ų | 116.6 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.9 | -42 | 174.7 | -87.2 | -173.9 | -107.1 | -179.5 | -6 | 111.7 | T459 P461 L467 I468 | T459-R464 PolarHBondContact O-NE 3.44Å; T459-R464 PolarHBondContact O-NH2 2.93Å; P461-R464 PolarHBondContact O-N 2.96Å; R464-L467 PolarHBondContact O-N 2.97Å; R464-I468 WeakPolarHBondContact O-CB 3.16Å; R464-I468 WeakPolarHBondContact O-CD1 3.47Å; R464-I468 WeakPolarHBondContact O-CG1 3.34Å; R464-I468 PolarHBondContact O-N 2.94Å |
| 465 | E | 69.6 | Low | 64.8 | Low | 106 Ų | 106 | 115.2 Ų | 115.2 | 50% | 0.495 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.9 | -40.9 | 178.9 | -159.7 | -167.9 | 155.5 | 0 | 0 | 112.1 | P461 I468 R469 | P461-E465 PolarHBondContact O-N 2.98Å; P461-E465 VanDerWaalsContact O-N 3.17Å; E465-I468 PolarHBondContact O-N 3.44Å; E465-R469 PolarHBondContact O-N 2.79Å; E465-R469 IonicContact OE1-CZ 3.45Å; E465-R469 IonicContact OE1-NE 3.37Å; E465-R469 PolarHBondContact OE1-NE 3.39Å; E465-R469 IonicContact OE1-NH2 2.7Å; E465-R469 PolarHBondContact OE1-NH2 2.96Å; E465-R469 IonicContact OE2-NH2 3.65Å |
| 466 | H | 71.6 | Confident | 66.7 | Low | 112 Ų | 112 | 114.9 Ų | 114.9 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.6 | -36.5 | 177.8 | -137.7 | -9.8 | 0 | 0 | 0 | 112.1 | E462 I463 R469 L470 | E462-H466 PolarHBondContact O-N 2.99Å; I463-H466 PolarHBondContact O-N 3.38Å; H466-R469 PolarHBondContact O-N 2.99Å; H466-L470 WeakPolarHBondContact O-CB 3.49Å; H466-L470 PolarHBondContact O-N 3.36Å |
| 467 | L | 73.3 | Confident | 68.1 | Low | 95 Ų | 95 | 114.8 Ų | 114.8 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -42.4 | 172.8 | -170.5 | 75.8 | 0 | 0 | 0 | 111.4 | I463 R464 L470 Q471 | I463-L467 VanDerWaalsContact O-CB 3.24Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 PolarHBondContact O-N 3.19Å; R464-L467 PolarHBondContact O-N 2.97Å; L467-L470 PolarHBondContact O-N 2.86Å; L467-Q471 HydrophobicContact CG-CG 4.43Å; L467-Q471 WeakPolarHBondContact O-CB 3.34Å; L467-Q471 WeakPolarHBondContact O-CG 3.28Å; L467-Q471 PolarHBondContact O-N 3.43Å |
| 468 | I | 75.9 | Confident | 69.6 | Low | 107 Ų | 107 | 112.8 Ų | 112.8 | 55% | 0.549 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.9 | -41.6 | 177.1 | -69.5 | 164.4 | 0 | 0 | 0 | 110.7 | R464 E465 Q471 H472 | R464-I468 WeakPolarHBondContact O-CB 3.16Å; R464-I468 WeakPolarHBondContact O-CD1 3.47Å; R464-I468 WeakPolarHBondContact O-CG1 3.34Å; R464-I468 PolarHBondContact O-N 2.94Å; E465-I468 PolarHBondContact O-N 3.44Å; I468-Q471 PolarHBondContact O-N 2.97Å; I468-H472 VanDerWaalsContact O-CB 3.31Å; I468-H472 WeakPolarHBondContact O-CB 3.33Å; I468-H472 PolarHBondContact O-N 3.16Å |
| 469 | R | 77.1 | Confident | 70.8 | Confident | 134 Ų | 134 | 109 Ų | 109 | 51% | 0.506 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 175.4 | -79.4 | -168 | -114.7 | 135.5 | -4.8 | 112.2 | E465 H466 Q471 H472 E473 | E465-R469 PolarHBondContact O-N 2.79Å; E465-R469 IonicContact OE1-CZ 3.45Å; E465-R469 IonicContact OE1-NE 3.37Å; E465-R469 PolarHBondContact OE1-NE 3.39Å; E465-R469 IonicContact OE1-NH2 2.7Å; E465-R469 PolarHBondContact OE1-NH2 2.96Å; E465-R469 IonicContact OE2-NH2 3.65Å; H466-R469 PolarHBondContact O-N 2.99Å; R469-Q471 VanDerWaalsContact C-N 3.34Å; R469-Q471 PolarHBondContact O-N 3.17Å; R469-H472 PolarHBondContact O-N 3.07Å; R469-E473 WeakPolarHBondContact O-CB 3.28Å; R469-E473 PolarHBondContact O-N 2.85Å |
| 470 | L | 74.9 | Confident | 71.8 | Confident | 84 Ų | 84 | 108.1 Ų | 108.1 | 44% | 0.44 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 176 | -82.4 | 164.5 | 0 | 0 | 0 | 112.8 | H466 L467 N474 | H466-L470 WeakPolarHBondContact O-CB 3.49Å; H466-L470 PolarHBondContact O-N 3.36Å; L467-L470 PolarHBondContact O-N 2.86Å; L470-N474 VanDerWaalsContact O-CB 3.26Å; L470-N474 WeakPolarHBondContact O-CB 3.49Å; L470-N474 PolarHBondContact O-N 3.28Å; L470-N474 PolarHBondContact O-ND2 3.44Å |
| 471 | Q | 74.6 | Confident | 72.5 | Confident | 116 Ų | 116 | 110.3 Ų | 110.3 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 171.8 | -81.8 | 177.5 | -21.7 | 0 | 0 | 111.4 | L467 I468 R469 K475 | L467-Q471 HydrophobicContact CG-CG 4.43Å; L467-Q471 WeakPolarHBondContact O-CB 3.34Å; L467-Q471 WeakPolarHBondContact O-CG 3.28Å; L467-Q471 PolarHBondContact O-N 3.43Å; I468-Q471 PolarHBondContact O-N 2.97Å; R469-Q471 VanDerWaalsContact C-N 3.34Å; R469-Q471 PolarHBondContact O-N 3.17Å; Q471-K475 WeakPolarHBondContact O-CB 3.34Å; Q471-K475 PolarHBondContact O-N 3.47Å |
| 472 | H | 77.6 | Confident | 73.1 | Confident | 115 Ų | 115 | 111.1 Ų | 111.1 | 53% | 0.532 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 175.6 | -167.6 | 68.8 | 0 | 0 | 0 | 111.3 | I468 R469 K475 M476 | I468-H472 VanDerWaalsContact O-CB 3.31Å; I468-H472 WeakPolarHBondContact O-CB 3.33Å; I468-H472 PolarHBondContact O-N 3.16Å; R469-H472 PolarHBondContact O-N 3.07Å; H472-K475 WeakPolarHBondContact O-CB 3.26Å; H472-K475 PolarHBondContact O-N 3.42Å; H472-M476 VanDerWaalsContact O-CG 3.3Å; H472-M476 WeakPolarHBondContact O-CG 3.49Å; H472-M476 PolarHBondContact O-N 2.94Å |
| 473 | E | 79.5 | Confident | 73.5 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 175.5 | -170.3 | 176.3 | -179.8 | 0 | 0 | 111.8 | R469 K475 M476 L477 | R469-E473 WeakPolarHBondContact O-CB 3.28Å; R469-E473 PolarHBondContact O-N 2.85Å; E473-K475 VanDerWaalsContact C-N 3.3Å; E473-K475 PolarHBondContact O-N 3.01Å; E473-M476 PolarHBondContact O-N 2.87Å; E473-L477 HydrophobicContact CG-CD1 4.26Å; E473-L477 WeakPolarHBondContact O-CB 3.49Å; E473-L477 WeakPolarHBondContact O-CG 3.42Å; E473-L477 PolarHBondContact O-N 2.93Å |
| 474 | N | 70 | Confident | 74.1 | Confident | 98 Ų | 98 | 104.5 Ų | 104.5 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 172.3 | -93 | -72.6 | 0 | 0 | 0 | 112.8 | L470 K478 | L470-N474 VanDerWaalsContact O-CB 3.26Å; L470-N474 WeakPolarHBondContact O-CB 3.49Å; L470-N474 PolarHBondContact O-N 3.28Å; L470-N474 PolarHBondContact O-ND2 3.44Å; N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.23Å |
| 475 | K | 80.6 | Confident | 74.7 | Confident | 135 Ų | 135 | 101.7 Ų | 101.7 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 176.5 | -173.6 | 176.3 | -178.7 | 179.7 | 0 | 111.2 | Q471 H472 E473 K478 L479 | Q471-K475 WeakPolarHBondContact O-CB 3.34Å; Q471-K475 PolarHBondContact O-N 3.47Å; H472-K475 WeakPolarHBondContact O-CB 3.26Å; H472-K475 PolarHBondContact O-N 3.42Å; E473-K475 VanDerWaalsContact C-N 3.3Å; E473-K475 PolarHBondContact O-N 3.01Å; K475-K478 PolarHBondContact O-N 3.4Å; K475-L479 HydrophobicContact CG-CD1 4.38Å; K475-L479 WeakPolarHBondContact O-CG 3.42Å; K475-L479 PolarHBondContact O-N 3.4Å |
| 476 | M | 76.4 | Confident | 75.2 | Confident | 102 Ų | 102 | 101.6 Ų | 101.6 | 50% | 0.502 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 177 | -68.6 | -55 | -65.3 | 0 | 0 | 112 | H472 E473 L479 A480 | H472-M476 VanDerWaalsContact O-CG 3.3Å; H472-M476 WeakPolarHBondContact O-CG 3.49Å; H472-M476 PolarHBondContact O-N 2.94Å; E473-M476 PolarHBondContact O-N 2.87Å; M476-L479 PolarHBondContact O-N 2.87Å; M476-L479 HydrophobicContact SD-CD1 4.39Å; M476-A480 PolarHBondContact O-N 3.18Å |
| 477 | L | 72.4 | Confident | 75.7 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 173.9 | -73.5 | 169.4 | 0 | 0 | 0 | 112.1 | E473 A480 Q481 | E473-L477 HydrophobicContact CG-CD1 4.26Å; E473-L477 WeakPolarHBondContact O-CB 3.49Å; E473-L477 WeakPolarHBondContact O-CG 3.42Å; E473-L477 PolarHBondContact O-N 2.93Å; L477-A480 PolarHBondContact O-N 2.95Å; L477-Q481 WeakPolarHBondContact O-CB 3.45Å; L477-Q481 PolarHBondContact O-N 3.35Å |
| 478 | K | 75.6 | Confident | 76.1 | Confident | 141 Ų | 141 | 105.6 Ų | 105.6 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 172.7 | -89.1 | -172.5 | 173.3 | -175 | 0 | 112.8 | N474 K475 A480 Q481 E482 | N474-K478 WeakPolarHBondContact O-CB 3.49Å; N474-K478 PolarHBondContact O-N 3.23Å; K475-K478 PolarHBondContact O-N 3.4Å; K478-A480 VanDerWaalsContact C-N 3.34Å; K478-A480 PolarHBondContact O-N 3.46Å; K478-Q481 PolarHBondContact O-N 2.94Å; K478-E482 WeakPolarHBondContact O-CB 3.41Å; K478-E482 VanDerWaalsContact O-CG 3.28Å; K478-E482 WeakPolarHBondContact O-CG 3.3Å; K478-E482 PolarHBondContact O-N 3.46Å |
| 479 | L | 75.6 | Confident | 76.5 | Confident | 91 Ų | 91 | 104.4 Ų | 104.4 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 178.7 | -74.4 | 167.2 | 0 | 0 | 0 | 112.4 | K475 M476 G483 | K475-L479 HydrophobicContact CG-CD1 4.38Å; K475-L479 WeakPolarHBondContact O-CG 3.42Å; K475-L479 PolarHBondContact O-N 3.4Å; M476-L479 PolarHBondContact O-N 2.87Å; M476-L479 HydrophobicContact SD-CD1 4.39Å; L479-G483 PolarHBondContact O-N 3.17Å |
| 480 | A | 71.1 | Confident | 76.8 | Confident | 69 Ų | 69 | 100.6 Ų | 100.6 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.4 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M476 L477 K478 G483 S484 | M476-A480 PolarHBondContact O-N 3.18Å; L477-A480 PolarHBondContact O-N 2.95Å; K478-A480 VanDerWaalsContact C-N 3.34Å; K478-A480 PolarHBondContact O-N 3.46Å; A480-G483 PolarHBondContact O-N 2.88Å; A480-S484 PolarHBondContact O-N 3.48Å |
| 481 | Q | 72.1 | Confident | 77.4 | Confident | 128 Ų | 128 | 101.8 Ų | 101.8 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 174.9 | -162.3 | 103.2 | 23.5 | 0 | 0 | 111.4 | L477 K478 G483 S484 D485 | L477-Q481 WeakPolarHBondContact O-CB 3.45Å; L477-Q481 PolarHBondContact O-N 3.35Å; K478-Q481 PolarHBondContact O-N 2.94Å; Q481-G483 VanDerWaalsContact C-N 3.28Å; Q481-G483 PolarHBondContact O-N 3.4Å; Q481-S484 PolarHBondContact O-N 3.5Å; Q481-D485 WeakPolarHBondContact O-CB 3.39Å; Q481-D485 PolarHBondContact O-N 3.02Å |
| 482 | E | 75.5 | Confident | 77.9 | Confident | 103 Ų | 103 | 101.3 Ų | 101.3 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -33.3 | 175.8 | -76.7 | 171.4 | -171.5 | 0 | 0 | 112.4 | K478 N486 | K478-E482 WeakPolarHBondContact O-CB 3.41Å; K478-E482 VanDerWaalsContact O-CG 3.28Å; K478-E482 WeakPolarHBondContact O-CG 3.3Å; K478-E482 PolarHBondContact O-N 3.46Å; E482-N486 WeakPolarHBondContact O-CB 3.35Å; E482-N486 PolarHBondContact O-N 3.18Å; E482-N486 PolarHBondContact O-ND2 3.22Å |
| 483 | G | 73.8 | Confident | 78.2 | Confident | 31 Ų | 31 | 101.1 Ų | 101.1 | 32% | 0.32 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -50.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L479 A480 Q481 D485 N486 E487 | L479-G483 PolarHBondContact O-N 3.17Å; A480-G483 PolarHBondContact O-N 2.88Å; Q481-G483 VanDerWaalsContact C-N 3.28Å; Q481-G483 PolarHBondContact O-N 3.4Å; G483-D485 VanDerWaalsContact C-N 3.34Å; G483-D485 PolarHBondContact O-N 3.19Å; G483-N486 PolarHBondContact O-N 2.96Å; G483-E487 PolarHBondContact O-N 2.97Å |
| 484 | S | 74.4 | Confident | 78.6 | Confident | 73 Ų | 73 | 98.3 Ų | 98.3 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | A480 Q481 K488 | A480-S484 PolarHBondContact O-N 3.48Å; Q481-S484 PolarHBondContact O-N 3.5Å; S484-K488 WeakPolarHBondContact O-CB 3.42Å; S484-K488 PolarHBondContact O-N 3.35Å; S484-K488 VanDerWaalsContact O-N 3.17Å |
| 485 | D | 77.9 | Confident | 79.5 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.1 | -36.6 | 177.9 | -72.3 | -22.5 | 0 | 0 | 0 | 111.3 | Q481 G483 K488 I489 | Q481-D485 WeakPolarHBondContact O-CB 3.39Å; Q481-D485 PolarHBondContact O-N 3.02Å; G483-D485 VanDerWaalsContact C-N 3.34Å; G483-D485 PolarHBondContact O-N 3.19Å; D485-K488 PolarHBondContact O-N 2.88Å; D485-I489 WeakPolarHBondContact O-CB 3.18Å; D485-I489 WeakPolarHBondContact O-CD1 3.41Å; D485-I489 WeakPolarHBondContact O-CG1 3.42Å; D485-I489 PolarHBondContact O-N 2.86Å |
| 486 | N | 79.8 | Confident | 79.8 | Confident | 105 Ų | 105 | 97.1 Ų | 97.1 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -40.5 | 174.3 | -82.4 | -21.9 | 0 | 0 | 0 | 112.7 | E482 G483 K488 I489 A490 | E482-N486 WeakPolarHBondContact O-CB 3.35Å; E482-N486 PolarHBondContact O-N 3.18Å; E482-N486 PolarHBondContact O-ND2 3.22Å; G483-N486 PolarHBondContact O-N 2.96Å; N486-K488 VanDerWaalsContact C-N 3.32Å; N486-K488 PolarHBondContact O-N 3.4Å; N486-I489 PolarHBondContact O-N 3.24Å; N486-A490 WeakPolarHBondContact O-CB 3.39Å; N486-A490 PolarHBondContact O-N 2.93Å |
| 487 | E | 81.7 | Confident | 80.4 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 174.6 | -74.2 | 178.3 | -177 | 0 | 0 | 111.5 | G483 A490 L491 | G483-E487 PolarHBondContact O-N 2.97Å; E487-A490 PolarHBondContact O-N 3.28Å; E487-L491 WeakPolarHBondContact O-CB 3.49Å; E487-L491 PolarHBondContact O-N 3.12Å |
| 488 | K | 82.5 | Confident | 81.2 | Confident | 140 Ų | 140 | 98.4 Ų | 98.4 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -38.1 | 176.3 | -164 | 172 | -175.5 | 177 | 0 | 112.3 | S484 D485 N486 L492 | S484-K488 WeakPolarHBondContact O-CB 3.42Å; S484-K488 PolarHBondContact O-N 3.35Å; S484-K488 VanDerWaalsContact O-N 3.17Å; D485-K488 PolarHBondContact O-N 2.88Å; N486-K488 VanDerWaalsContact C-N 3.32Å; N486-K488 PolarHBondContact O-N 3.4Å; K488-L492 HydrophobicContact CG-CD1 4.44Å; K488-L492 WeakPolarHBondContact O-CB 3.25Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.35Å; K488-L492 PolarHBondContact O-N 3.47Å |
| 489 | I | 83.2 | Confident | 81.7 | Confident | 83 Ų | 83 | 94.4 Ų | 94.4 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 174.3 | -71.5 | 162.9 | 0 | 0 | 0 | 110.4 | D485 N486 L491 L492 Q493 | D485-I489 WeakPolarHBondContact O-CB 3.18Å; D485-I489 WeakPolarHBondContact O-CD1 3.41Å; D485-I489 WeakPolarHBondContact O-CG1 3.42Å; D485-I489 PolarHBondContact O-N 2.86Å; N486-I489 PolarHBondContact O-N 3.24Å; I489-L491 PolarHBondContact O-N 3.07Å; I489-L492 PolarHBondContact O-N 3.4Å; I489-Q493 HydrophobicContact CG2-CG 4.31Å; I489-Q493 WeakPolarHBondContact O-CB 3.48Å; I489-Q493 VanDerWaalsContact O-CG 3.29Å; I489-Q493 WeakPolarHBondContact O-CG 3.37Å; I489-Q493 PolarHBondContact O-N 3.29Å |
| 490 | A | 84.7 | Confident | 82.3 | Confident | 54 Ų | 54 | 93.8 Ų | 93.8 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | N486 E487 Q493 S494 | N486-A490 WeakPolarHBondContact O-CB 3.39Å; N486-A490 PolarHBondContact O-N 2.93Å; E487-A490 PolarHBondContact O-N 3.28Å; A490-Q493 PolarHBondContact O-N 2.56Å; A490-S494 PolarHBondContact O-N 3.36Å |
| 491 | L | 86 | Confident | 83.2 | Confident | 109 Ų | 109 | 98.3 Ų | 98.3 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 174.7 | -176.7 | 64.5 | 0 | 0 | 0 | 111.9 | E487 I489 Q493 S494 L495 | E487-L491 WeakPolarHBondContact O-CB 3.49Å; E487-L491 PolarHBondContact O-N 3.12Å; I489-L491 PolarHBondContact O-N 3.07Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-S494 PolarHBondContact O-N 3.02Å; L491-L495 HydrophobicContact CG-CD1 4.29Å; L491-L495 WeakPolarHBondContact O-CG 3.5Å; L491-L495 PolarHBondContact O-N 3.34Å |
| 492 | L | 85.3 | Confident | 84 | Confident | 105 Ų | 105 | 100.5 Ų | 100.5 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -36 | 176.1 | -74.5 | 170.9 | 0 | 0 | 0 | 112.3 | K488 I489 L496 | K488-L492 HydrophobicContact CG-CD1 4.44Å; K488-L492 WeakPolarHBondContact O-CB 3.25Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.35Å; K488-L492 PolarHBondContact O-N 3.47Å; I489-L492 PolarHBondContact O-N 3.4Å; L492-L496 VanDerWaalsContact O-CB 3.25Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 PolarHBondContact O-N 3.01Å |
| 493 | Q | 84.2 | Confident | 84.7 | Confident | 111 Ų | 111 | 101.2 Ų | 101.2 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 174.3 | -77.4 | 173.5 | -16.3 | 0 | 0 | 111.3 | I489 A490 L491 L495 L496 E497 | I489-Q493 HydrophobicContact CG2-CG 4.31Å; I489-Q493 WeakPolarHBondContact O-CB 3.48Å; I489-Q493 VanDerWaalsContact O-CG 3.29Å; I489-Q493 WeakPolarHBondContact O-CG 3.37Å; I489-Q493 PolarHBondContact O-N 3.29Å; A490-Q493 PolarHBondContact O-N 2.56Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; Q493-L495 PolarHBondContact O-N 3.25Å; Q493-L496 PolarHBondContact O-N 3.39Å; Q493-E497 WeakPolarHBondContact O-CB 3.45Å; Q493-E497 WeakPolarHBondContact O-CG 3.34Å; Q493-E497 PolarHBondContact O-N 2.93Å |
| 494 | S | 87.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | A490 L491 L496 E497 D498 | A490-S494 PolarHBondContact O-N 3.36Å; L491-S494 PolarHBondContact O-N 3.02Å; S494-L496 VanDerWaalsContact C-N 3.33Å; S494-L496 PolarHBondContact O-N 3.42Å; S494-E497 PolarHBondContact O-N 3.17Å; S494-D498 PolarHBondContact O-N 3.08Å |
| 495 | L | 88.8 | Confident | 86 | Confident | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -35.2 | 175.9 | -72.2 | 171.9 | 0 | 0 | 0 | 112.6 | L491 Q493 A499 | L491-L495 HydrophobicContact CG-CD1 4.29Å; L491-L495 WeakPolarHBondContact O-CG 3.5Å; L491-L495 PolarHBondContact O-N 3.34Å; Q493-L495 PolarHBondContact O-N 3.25Å; L495-A499 VanDerWaalsContact O-CB 3.26Å; L495-A499 WeakPolarHBondContact O-CB 3.49Å; L495-A499 PolarHBondContact O-N 3.23Å |
| 496 | L | 87.4 | Confident | 86.5 | Confident | 107 Ų | 107 | 104.1 Ų | 104.1 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69 | -40.2 | 175.5 | -172.6 | 73.4 | 0 | 0 | 0 | 111.3 | L492 Q493 S494 A499 N500 | L492-L496 VanDerWaalsContact O-CB 3.25Å; L492-L496 WeakPolarHBondContact O-CB 3.31Å; L492-L496 PolarHBondContact O-N 3.01Å; Q493-L496 PolarHBondContact O-N 3.39Å; S494-L496 VanDerWaalsContact C-N 3.33Å; S494-L496 PolarHBondContact O-N 3.42Å; L496-A499 PolarHBondContact O-N 3.02Å; L496-N500 VanDerWaalsContact O-CB 3.29Å; L496-N500 WeakPolarHBondContact O-CB 3.47Å; L496-N500 VanDerWaalsContact O-CG 3.26Å; L496-N500 PolarHBondContact O-N 2.92Å; L496-N500 PolarHBondContact O-ND2 2.92Å; L496-N500 VanDerWaalsContact O-ND2 3.15Å |
| 497 | E | 88.9 | Confident | 86.8 | Confident | 134 Ų | 134 | 103.3 Ų | 103.3 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 174.6 | -77.5 | 176.9 | -178.3 | 0 | 0 | 111.5 | Q493 S494 A499 N500 R501 | Q493-E497 WeakPolarHBondContact O-CB 3.45Å; Q493-E497 WeakPolarHBondContact O-CG 3.34Å; Q493-E497 PolarHBondContact O-N 2.93Å; S494-E497 PolarHBondContact O-N 3.17Å; E497-A499 PolarHBondContact O-N 3.21Å; E497-N500 PolarHBondContact O-N 2.87Å; E497-R501 WeakPolarHBondContact O-CB 3.25Å; E497-R501 PolarHBondContact O-N 3.08Å |
| 498 | D | 88.8 | Confident | 87 | Confident | 99 Ų | 99 | 99.8 Ų | 99.8 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.4 | -83.3 | -16.1 | 0 | 0 | 0 | 112.1 | S494 R501 R502 | S494-D498 PolarHBondContact O-N 3.08Å; D498-R501 PolarHBondContact O-N 3.02Å; D498-R502 WeakPolarHBondContact O-CB 3.48Å; D498-R502 PolarHBondContact O-N 3.01Å |
| 499 | A | 87.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 98.5 Ų | 98.5 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L495 L496 E497 R502 K503 | L495-A499 VanDerWaalsContact O-CB 3.26Å; L495-A499 WeakPolarHBondContact O-CB 3.49Å; L495-A499 PolarHBondContact O-N 3.23Å; L496-A499 PolarHBondContact O-N 3.02Å; E497-A499 PolarHBondContact O-N 3.21Å; A499-R502 PolarHBondContact O-N 2.91Å; A499-K503 WeakPolarHBondContact O-CB 3Å; A499-K503 PolarHBondContact O-N 3.04Å |
| 500 | N | 87.2 | Confident | 87.3 | Confident | 78 Ų | 78 | 99 Ų | 99 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.8 | -36 | 176.7 | -79.6 | -33.6 | 0 | 0 | 0 | 112.5 | L496 E497 K503 S504 | L496-N500 VanDerWaalsContact O-CB 3.29Å; L496-N500 WeakPolarHBondContact O-CB 3.47Å; L496-N500 VanDerWaalsContact O-CG 3.26Å; L496-N500 PolarHBondContact O-N 2.92Å; L496-N500 PolarHBondContact O-ND2 2.92Å; L496-N500 VanDerWaalsContact O-ND2 3.15Å; E497-N500 PolarHBondContact O-N 2.87Å; N500-K503 PolarHBondContact O-N 3.02Å; N500-S504 WeakPolarHBondContact O-CB 3.5Å; N500-S504 PolarHBondContact O-N 2.75Å; N500-S504 PolarHBondContact O-OG 3.4Å |
| 501 | R | 90.1 | Very high | 87.6 | Confident | 165 Ų | 165 | 105 Ų | 105 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -48.2 | 174.1 | -171.8 | 171.6 | -175.3 | -98.9 | -7.3 | 110.6 | E497 D498 K503 S504 E505 | E497-R501 WeakPolarHBondContact O-CB 3.25Å; E497-R501 PolarHBondContact O-N 3.08Å; D498-R501 PolarHBondContact O-N 3.02Å; R501-K503 VanDerWaalsContact C-N 3.32Å; R501-K503 PolarHBondContact O-N 3.02Å; R501-S504 PolarHBondContact O-N 3.09Å; R501-E505 IonicContact CZ-OE1 3.6Å; R501-E505 IonicContact NE-OE1 2.79Å; R501-E505 IonicContact NH1-OE1 2.74Å; R501-E505 IonicContact NH2-OE1 3.51Å; R501-E505 WeakPolarHBondContact O-CG 3.36Å; R501-E505 PolarHBondContact O-N 3.4Å |
| 502 | R | 89.3 | Confident | 87.6 | Confident | 174 Ų | 174 | 104.6 Ų | 104.6 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -37.5 | 176.4 | -164.1 | 171.5 | -172 | 85.9 | 1 | 112.5 | D498 A499 L506 | D498-R502 WeakPolarHBondContact O-CB 3.48Å; D498-R502 PolarHBondContact O-N 3.01Å; A499-R502 PolarHBondContact O-N 2.91Å; R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3Å |
| 503 | K | 89.4 | Confident | 87.7 | Confident | 118 Ų | 118 | 104.5 Ų | 104.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.2 | -175.4 | -176.5 | 174.7 | -166.6 | 0 | 111.5 | A499 N500 R501 L506 E507 | A499-K503 WeakPolarHBondContact O-CB 3Å; A499-K503 PolarHBondContact O-N 3.04Å; N500-K503 PolarHBondContact O-N 3.02Å; R501-K503 VanDerWaalsContact C-N 3.32Å; R501-K503 PolarHBondContact O-N 3.02Å; K503-L506 PolarHBondContact O-N 3.33Å; K503-E507 WeakPolarHBondContact CE-OE1 3.45Å; K503-E507 IonicContact NZ-OE1 3.77Å; K503-E507 WeakPolarHBondContact O-CB 3.41Å; K503-E507 WeakPolarHBondContact O-CG 3.22Å; K503-E507 PolarHBondContact O-N 3.38Å |
| 504 | S | 87.4 | Confident | 87.7 | Confident | 65 Ų | 65 | 103 Ų | 103 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.7 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | N500 R501 E507 T508 | N500-S504 WeakPolarHBondContact O-CB 3.5Å; N500-S504 PolarHBondContact O-N 2.75Å; N500-S504 PolarHBondContact O-OG 3.4Å; R501-S504 PolarHBondContact O-N 3.09Å; S504-E507 PolarHBondContact O-N 2.96Å; S504-T508 WeakPolarHBondContact O-CG2 3.19Å; S504-T508 PolarHBondContact O-N 3Å; S504-T508 PolarHBondContact O-OG1 3.12Å |
| 505 | E | 88.8 | Confident | 87.5 | Confident | 75 Ų | 75 | 105.5 Ų | 105.5 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -51.2 | 173.4 | -72.9 | 168.6 | -177.7 | 0 | 0 | 110.8 | R501 E507 T508 E509 | R501-E505 IonicContact CZ-OE1 3.6Å; R501-E505 IonicContact NE-OE1 2.79Å; R501-E505 IonicContact NH1-OE1 2.74Å; R501-E505 IonicContact NH2-OE1 3.51Å; R501-E505 WeakPolarHBondContact O-CG 3.36Å; R501-E505 PolarHBondContact O-N 3.4Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.36Å; E505-T508 PolarHBondContact O-N 2.86Å; E505-T508 VanDerWaalsContact O-N 3.1Å; E505-T508 PolarHBondContact O-OG1 2.89Å; E505-E509 PolarHBondContact O-N 3.43Å |
| 506 | L | 88.1 | Confident | 87.4 | Confident | 101 Ų | 101 | 109.4 Ų | 109.4 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 176.8 | -72.3 | 171.9 | 0 | 0 | 0 | 112.6 | R502 K503 T508 E509 N510 | R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3Å; K503-L506 PolarHBondContact O-N 3.33Å; L506-T508 VanDerWaalsContact C-N 3.32Å; L506-T508 PolarHBondContact O-N 3.36Å; L506-E509 PolarHBondContact O-N 3.29Å; L506-N510 WeakPolarHBondContact O-CB 3.41Å; L506-N510 PolarHBondContact O-N 3.11Å |
| 507 | E | 86.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 108.3 Ų | 108.3 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 174.7 | -77.7 | 178.3 | -177.8 | 0 | 0 | 112 | K503 S504 E505 R511 | K503-E507 WeakPolarHBondContact CE-OE1 3.45Å; K503-E507 IonicContact NZ-OE1 3.77Å; K503-E507 WeakPolarHBondContact O-CB 3.41Å; K503-E507 WeakPolarHBondContact O-CG 3.22Å; K503-E507 PolarHBondContact O-N 3.38Å; S504-E507 PolarHBondContact O-N 2.96Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.36Å; E507-R511 WeakPolarHBondContact O-CG 3.33Å; E507-R511 PolarHBondContact O-N 2.88Å |
| 508 | T | 86.3 | Confident | 87 | Confident | 75 Ų | 75 | 108.2 Ų | 108.2 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.5 | -42.6 | 176.6 | 63 | 0 | 0 | 0 | 0 | 112.1 | S504 E505 L506 N510 R511 L512 | S504-T508 WeakPolarHBondContact O-CG2 3.19Å; S504-T508 PolarHBondContact O-N 3Å; S504-T508 PolarHBondContact O-OG1 3.12Å; E505-T508 PolarHBondContact O-N 2.86Å; E505-T508 VanDerWaalsContact O-N 3.1Å; E505-T508 PolarHBondContact O-OG1 2.89Å; L506-T508 VanDerWaalsContact C-N 3.32Å; L506-T508 PolarHBondContact O-N 3.36Å; T508-N510 VanDerWaalsContact C-N 3.33Å; T508-N510 PolarHBondContact O-N 2.96Å; T508-R511 PolarHBondContact O-N 3.01Å; T508-L512 WeakPolarHBondContact O-CG 3.48Å; T508-L512 PolarHBondContact O-N 3.07Å |
| 509 | E | 87.7 | Confident | 86.8 | Confident | 113 Ų | 113 | 108.3 Ų | 108.3 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 173.3 | -73.3 | -175.5 | 168.6 | 0 | 0 | 110.9 | E505 L506 R511 L512 I513 | E505-E509 PolarHBondContact O-N 3.43Å; L506-E509 PolarHBondContact O-N 3.29Å; E509-R511 VanDerWaalsContact C-N 3.34Å; E509-R511 PolarHBondContact O-N 3.06Å; E509-L512 PolarHBondContact O-N 3.23Å; E509-I513 WeakPolarHBondContact O-CB 3.34Å; E509-I513 VanDerWaalsContact O-CG1 3.26Å; E509-I513 WeakPolarHBondContact O-CG1 3.42Å; E509-I513 PolarHBondContact O-N 3.23Å |
| 510 | N | 82.8 | Confident | 86.4 | Confident | 93 Ų | 93 | 112 Ų | 112 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 177.8 | -150.6 | -65.3 | 0 | 0 | 0 | 111.6 | L506 T508 I513 N514 | L506-N510 WeakPolarHBondContact O-CB 3.41Å; L506-N510 PolarHBondContact O-N 3.11Å; T508-N510 VanDerWaalsContact C-N 3.33Å; T508-N510 PolarHBondContact O-N 2.96Å; N510-I513 PolarHBondContact O-N 3.08Å; N510-N514 VanDerWaalsContact O-CB 3.32Å; N510-N514 WeakPolarHBondContact O-CB 3.45Å; N510-N514 VanDerWaalsContact O-CG 3.23Å; N510-N514 PolarHBondContact O-N 2.91Å; N510-N514 PolarHBondContact O-ND2 3.2Å; N510-N514 PolarHBondContact OD1-ND2 3.13Å |
| 511 | R | 91.1 | Very high | 85.9 | Confident | 181 Ų | 181 | 113 Ų | 113 | 68% | 0.683 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 172.1 | -77.7 | 178.7 | -174 | 179.4 | 5 | 112.3 | E507 T508 E509 N514 Q515 | E507-R511 WeakPolarHBondContact O-CG 3.33Å; E507-R511 PolarHBondContact O-N 2.88Å; T508-R511 PolarHBondContact O-N 3.01Å; E509-R511 VanDerWaalsContact C-N 3.34Å; E509-R511 PolarHBondContact O-N 3.06Å; R511-N514 PolarHBondContact O-N 3.31Å; R511-Q515 WeakPolarHBondContact O-CB 3.38Å; R511-Q515 PolarHBondContact O-N 3.32Å |
| 512 | L | 87.4 | Confident | 85.4 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 178.2 | -72.7 | 169.5 | 0 | 0 | 0 | 111.9 | T508 E509 Q515 R516 | T508-L512 WeakPolarHBondContact O-CG 3.48Å; T508-L512 PolarHBondContact O-N 3.07Å; E509-L512 PolarHBondContact O-N 3.23Å; L512-Q515 PolarHBondContact O-N 2.86Å; L512-R516 PolarHBondContact O-N 3.16Å |
| 513 | I | 87.3 | Confident | 85 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 175.3 | -69.2 | 167.1 | 0 | 0 | 0 | 110.2 | E509 N510 Q515 R516 L517 | E509-I513 WeakPolarHBondContact O-CB 3.34Å; E509-I513 VanDerWaalsContact O-CG1 3.26Å; E509-I513 WeakPolarHBondContact O-CG1 3.42Å; E509-I513 PolarHBondContact O-N 3.23Å; N510-I513 PolarHBondContact O-N 3.08Å; I513-Q515 VanDerWaalsContact C-N 3.29Å; I513-Q515 PolarHBondContact O-N 3.35Å; I513-R516 PolarHBondContact O-N 3.22Å; I513-L517 WeakPolarHBondContact O-CB 3.44Å; I513-L517 PolarHBondContact O-N 3.45Å |
| 514 | N | 82.4 | Confident | 84.5 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 176 | -74.3 | -35 | 0 | 0 | 0 | 112.4 | N510 R511 L517 M518 | N510-N514 VanDerWaalsContact O-CB 3.32Å; N510-N514 WeakPolarHBondContact O-CB 3.45Å; N510-N514 VanDerWaalsContact O-CG 3.23Å; N510-N514 PolarHBondContact O-N 2.91Å; N510-N514 PolarHBondContact O-ND2 3.2Å; N510-N514 PolarHBondContact OD1-ND2 3.13Å; R511-N514 PolarHBondContact O-N 3.31Å; N514-L517 PolarHBondContact O-N 3.49Å; N514-M518 WeakPolarHBondContact O-CB 3.48Å; N514-M518 VanDerWaalsContact O-CG 3.28Å; N514-M518 WeakPolarHBondContact O-CG 3.28Å; N514-M518 PolarHBondContact O-N 3.3Å |
| 515 | Q | 85.6 | Confident | 84.2 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 174.2 | -168.8 | 170.4 | 13.7 | 0 | 0 | 111.4 | R511 L512 I513 L517 M518 E519 | R511-Q515 WeakPolarHBondContact O-CB 3.38Å; R511-Q515 PolarHBondContact O-N 3.32Å; L512-Q515 PolarHBondContact O-N 2.86Å; I513-Q515 VanDerWaalsContact C-N 3.29Å; I513-Q515 PolarHBondContact O-N 3.35Å; Q515-L517 VanDerWaalsContact C-N 3.32Å; Q515-L517 PolarHBondContact O-N 3.41Å; Q515-M518 PolarHBondContact O-N 2.91Å; Q515-E519 WeakPolarHBondContact O-CG 3.47Å; Q515-E519 PolarHBondContact O-N 2.99Å |
| 516 | R | 86 | Confident | 83.8 | Confident | 182 Ų | 182 | 109.3 Ų | 109.3 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -38.5 | 172.1 | -73.5 | -172.4 | -165 | -168.6 | 5 | 112.5 | L512 I513 M518 E519 E520 | L512-R516 PolarHBondContact O-N 3.16Å; I513-R516 PolarHBondContact O-N 3.22Å; R516-M518 VanDerWaalsContact C-N 3.33Å; R516-E519 PolarHBondContact O-N 2.9Å; R516-E520 PolarHBondContact O-N 2.95Å |
| 517 | L | 85.7 | Confident | 83.2 | Confident | 85 Ų | 85 | 109.9 Ų | 109.9 | 45% | 0.445 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.7 | -163.6 | 94.5 | 0 | 0 | 0 | 110.6 | I513 N514 Q515 Q521 | I513-L517 WeakPolarHBondContact O-CB 3.44Å; I513-L517 PolarHBondContact O-N 3.45Å; N514-L517 PolarHBondContact O-N 3.49Å; Q515-L517 VanDerWaalsContact C-N 3.32Å; Q515-L517 PolarHBondContact O-N 3.41Å; L517-Q521 WeakPolarHBondContact O-CB 3.35Å; L517-Q521 WeakPolarHBondContact O-CG 3.46Å; L517-Q521 PolarHBondContact O-N 3.17Å |
| 518 | M | 82.8 | Confident | 82.5 | Confident | 131 Ų | 131 | 111.5 Ų | 111.5 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 174.4 | -75.8 | -87 | -74.8 | 0 | 0 | 112.1 | N514 Q515 R516 S522 | N514-M518 WeakPolarHBondContact O-CB 3.48Å; N514-M518 VanDerWaalsContact O-CG 3.28Å; N514-M518 WeakPolarHBondContact O-CG 3.28Å; N514-M518 PolarHBondContact O-N 3.3Å; Q515-M518 PolarHBondContact O-N 2.91Å; R516-M518 VanDerWaalsContact C-N 3.33Å; M518-S522 VanDerWaalsContact O-CB 3.26Å; M518-S522 WeakPolarHBondContact O-CB 3.3Å; M518-S522 PolarHBondContact O-N 2.86Å |
| 519 | E | 84.6 | Confident | 81.8 | Confident | 101 Ų | 101 | 114 Ų | 114 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 175 | -74.9 | 169.8 | -173.9 | 0 | 0 | 111.8 | Q515 R516 S522 Q523 | Q515-E519 WeakPolarHBondContact O-CG 3.47Å; Q515-E519 PolarHBondContact O-N 2.99Å; R516-E519 PolarHBondContact O-N 2.9Å; E519-S522 PolarHBondContact O-N 3.5Å; E519-Q523 VanDerWaalsContact O-CG 3.31Å; E519-Q523 WeakPolarHBondContact O-CG 3.43Å; E519-Q523 PolarHBondContact O-N 3.01Å |
| 520 | E | 77.8 | Confident | 80.8 | Confident | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.1 | -39.9 | 174.3 | -77.1 | -155.5 | 168.5 | 0 | 0 | 111.9 | R516 S522 Q523 V524 | R516-E520 PolarHBondContact O-N 2.95Å; E520-S522 VanDerWaalsContact C-N 3.33Å; E520-S522 PolarHBondContact O-N 3.25Å; E520-Q523 PolarHBondContact O-N 3.33Å; E520-V524 WeakPolarHBondContact O-CB 3.4Å; E520-V524 VanDerWaalsContact O-CG2 3.25Å; E520-V524 WeakPolarHBondContact O-CG2 3.2Å; E520-V524 PolarHBondContact O-N 2.89Å |
| 521 | Q | 77.8 | Confident | 79.8 | Confident | 101 Ų | 101 | 112.1 Ų | 112.1 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.7 | -78.6 | 174 | -10.5 | 0 | 0 | 111.4 | L517 V524 E525 | L517-Q521 WeakPolarHBondContact O-CB 3.35Å; L517-Q521 WeakPolarHBondContact O-CG 3.46Å; L517-Q521 PolarHBondContact O-N 3.17Å; Q521-V524 PolarHBondContact O-N 3.39Å; Q521-E525 WeakPolarHBondContact O-CB 3.47Å; Q521-E525 PolarHBondContact O-N 3.44Å |
| 522 | S | 79.5 | Confident | 78.3 | Confident | 67 Ų | 67 | 110.8 Ų | 110.8 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 173.6 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | M518 E519 E520 E526 | M518-S522 VanDerWaalsContact O-CB 3.26Å; M518-S522 WeakPolarHBondContact O-CB 3.3Å; M518-S522 PolarHBondContact O-N 2.86Å; E519-S522 PolarHBondContact O-N 3.5Å; E520-S522 VanDerWaalsContact C-N 3.33Å; E520-S522 PolarHBondContact O-N 3.25Å; S522-E526 WeakPolarHBondContact O-CB 3.22Å; S522-E526 PolarHBondContact O-N 3.41Å |
| 523 | Q | 79.3 | Confident | 76.8 | Confident | 110 Ų | 110 | 110.1 Ų | 110.1 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 175.9 | -73.8 | 174.7 | 27.7 | 0 | 0 | 111.6 | E519 E520 E526 L527 | E519-Q523 VanDerWaalsContact O-CG 3.31Å; E519-Q523 WeakPolarHBondContact O-CG 3.43Å; E519-Q523 PolarHBondContact O-N 3.01Å; E520-Q523 PolarHBondContact O-N 3.33Å; Q523-E526 PolarHBondContact O-N 3.46Å; Q523-L527 VanDerWaalsContact O-CB 3.29Å; Q523-L527 WeakPolarHBondContact O-CB 3.33Å; Q523-L527 WeakPolarHBondContact O-CG 3.44Å; Q523-L527 PolarHBondContact O-N 2.88Å |
| 524 | V | 80.2 | Confident | 74.9 | Confident | 78 Ų | 78 | 111.9 Ų | 111.9 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | E520 Q521 L527 Q528 | E520-V524 WeakPolarHBondContact O-CB 3.4Å; E520-V524 VanDerWaalsContact O-CG2 3.25Å; E520-V524 WeakPolarHBondContact O-CG2 3.2Å; E520-V524 PolarHBondContact O-N 2.89Å; Q521-V524 PolarHBondContact O-N 3.39Å; V524-L527 PolarHBondContact O-N 3.23Å; V524-Q528 VanDerWaalsContact O-CB 3.29Å; V524-Q528 WeakPolarHBondContact O-CB 3.44Å; V524-Q528 WeakPolarHBondContact O-CG 3.28Å; V524-Q528 PolarHBondContact O-N 3.04Å |
| 525 | E | 81.3 | Confident | 73.2 | Confident | 138 Ų | 138 | 111.5 Ų | 111.5 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.4 | -38.7 | 172.3 | -86.4 | -171.7 | 159.7 | 0 | 0 | 111.5 | Q521 Q528 K529 | Q521-E525 WeakPolarHBondContact O-CB 3.47Å; Q521-E525 PolarHBondContact O-N 3.44Å; E525-Q528 PolarHBondContact O-N 2.89Å; E525-K529 WeakPolarHBondContact O-CB 3.45Å; E525-K529 PolarHBondContact O-N 2.79Å |
| 526 | E | 79 | Confident | 71.5 | Confident | 125 Ų | 125 | 110.4 Ų | 110.4 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -41.4 | 175 | -172.4 | 171.2 | -165.4 | 0 | 0 | 111 | S522 Q523 K529 T530 | S522-E526 WeakPolarHBondContact O-CB 3.22Å; S522-E526 PolarHBondContact O-N 3.41Å; Q523-E526 PolarHBondContact O-N 3.46Å; E526-K529 PolarHBondContact O-N 2.88Å; E526-T530 VanDerWaalsContact O-CB 3.24Å; E526-T530 WeakPolarHBondContact O-CB 3.47Å; E526-T530 PolarHBondContact O-N 3.2Å; E526-T530 PolarHBondContact O-OG1 2.95Å |
| 527 | L | 75.4 | Confident | 69.7 | Low | 113 Ų | 113 | 108.2 Ų | 108.2 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.3 | -41.4 | 173.4 | -73.8 | 168.9 | 0 | 0 | 0 | 111.9 | Q523 V524 T530 V531 | Q523-L527 VanDerWaalsContact O-CB 3.29Å; Q523-L527 WeakPolarHBondContact O-CB 3.33Å; Q523-L527 WeakPolarHBondContact O-CG 3.44Å; Q523-L527 PolarHBondContact O-N 2.88Å; V524-L527 PolarHBondContact O-N 3.23Å; L527-T530 PolarHBondContact O-N 2.93Å; L527-V531 WeakPolarHBondContact O-CB 3.46Å; L527-V531 VanDerWaalsContact O-CG2 3.22Å; L527-V531 WeakPolarHBondContact O-CG2 3.43Å; L527-V531 PolarHBondContact O-N 2.73Å |
| 528 | Q | 71.9 | Confident | 68 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 58% | 0.575 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.4 | -41.5 | 174.1 | -84.2 | -178.3 | -20 | 0 | 0 | 111.5 | V524 E525 V531 Q532 | V524-Q528 VanDerWaalsContact O-CB 3.29Å; V524-Q528 WeakPolarHBondContact O-CB 3.44Å; V524-Q528 WeakPolarHBondContact O-CG 3.28Å; V524-Q528 PolarHBondContact O-N 3.04Å; E525-Q528 PolarHBondContact O-N 2.89Å; Q528-V531 PolarHBondContact O-N 3.31Å; Q528-Q532 VanDerWaalsContact O-CB 3.23Å; Q528-Q532 WeakPolarHBondContact O-CB 3.29Å; Q528-Q532 PolarHBondContact O-N 2.94Å |
| 529 | K | 72.2 | Confident | 66.7 | Low | 128 Ų | 128 | 109.1 Ų | 109.1 | 56% | 0.557 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -36.6 | 175.1 | -171.7 | 176.6 | 176.8 | -175.5 | 0 | 111.4 | E525 E526 Q532 E533 | E525-K529 WeakPolarHBondContact O-CB 3.45Å; E525-K529 PolarHBondContact O-N 2.79Å; E526-K529 PolarHBondContact O-N 2.88Å; K529-Q532 PolarHBondContact O-N 3.43Å; K529-E533 WeakPolarHBondContact CE-OE1 3.36Å; K529-E533 HydrophobicContact CG-CG 4.27Å; K529-E533 WeakPolarHBondContact O-CB 3.35Å; K529-E533 VanDerWaalsContact O-CG 3.29Å; K529-E533 WeakPolarHBondContact O-CG 3.39Å; K529-E533 PolarHBondContact O-N 3.03Å |
| 530 | T | 66.6 | Low | 65 | Low | 62 Ų | 62 | 109.8 Ų | 109.8 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | 174 | -55.3 | 0 | 0 | 0 | 0 | 111 | E526 L527 Q534 | E526-T530 VanDerWaalsContact O-CB 3.24Å; E526-T530 WeakPolarHBondContact O-CB 3.47Å; E526-T530 PolarHBondContact O-N 3.2Å; E526-T530 PolarHBondContact O-OG1 2.95Å; L527-T530 PolarHBondContact O-N 2.93Å; T530-Q534 VanDerWaalsContact O-CB 3.22Å; T530-Q534 WeakPolarHBondContact O-CB 3.3Å; T530-Q534 VanDerWaalsContact O-CG 3.24Å; T530-Q534 WeakPolarHBondContact O-CG 3.25Å; T530-Q534 PolarHBondContact O-N 3.12Å |
| 531 | V | 63.2 | Low | 63.7 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 62% | 0.624 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.4 | -36.5 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | L527 Q528 G535 | L527-V531 WeakPolarHBondContact O-CB 3.46Å; L527-V531 VanDerWaalsContact O-CG2 3.22Å; L527-V531 WeakPolarHBondContact O-CG2 3.43Å; L527-V531 PolarHBondContact O-N 2.73Å; Q528-V531 PolarHBondContact O-N 3.31Å; V531-G535 PolarHBondContact O-N 3.34Å |
| 532 | Q | 58.9 | Low | 62.6 | Low | 153 Ų | 153 | 105.8 Ų | 105.8 | 72% | 0.715 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77 | -34.2 | 178.1 | -164.4 | 117.7 | 30.1 | 0 | 0 | 112.8 | Q528 K529 G535 S536 | Q528-Q532 VanDerWaalsContact O-CB 3.23Å; Q528-Q532 WeakPolarHBondContact O-CB 3.29Å; Q528-Q532 PolarHBondContact O-N 2.94Å; K529-Q532 PolarHBondContact O-N 3.43Å; Q532-G535 PolarHBondContact O-N 2.96Å; Q532-S536 PolarHBondContact O-N 3.29Å; Q532-S536 PolarHBondContact O-OG 3.03Å |
| 533 | E | 55.7 | Low | 61.8 | Low | 86 Ų | 86 | 106 Ų | 106 | 40% | 0.402 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.1 | -33.3 | 172.3 | -74.9 | -178 | -179.6 | 0 | 0 | 111.6 | K529 G535 S536 K537 | K529-E533 WeakPolarHBondContact CE-OE1 3.36Å; K529-E533 HydrophobicContact CG-CG 4.27Å; K529-E533 WeakPolarHBondContact O-CB 3.35Å; K529-E533 VanDerWaalsContact O-CG 3.29Å; K529-E533 WeakPolarHBondContact O-CG 3.39Å; K529-E533 PolarHBondContact O-N 3.03Å; E533-G535 PolarHBondContact O-N 2.99Å; E533-S536 WeakPolarHBondContact CA-OG 3.17Å; E533-S536 PolarHBondContact O-N 3.34Å; E533-S536 VanDerWaalsContact O-N 3.12Å; E533-S536 PolarHBondContact O-OG 2.89Å; E533-K537 PolarHBondContact O-N 3.46Å |
| 534 | Q | 48.3 | Very low | 60.7 | Low | 141 Ų | 141 | 106.9 Ų | 106.9 | 66% | 0.659 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.1 | -21.8 | 168.2 | -81 | -175.8 | 2.5 | 0 | 0 | 113.1 | T530 | T530-Q534 VanDerWaalsContact O-CB 3.22Å; T530-Q534 WeakPolarHBondContact O-CB 3.3Å; T530-Q534 VanDerWaalsContact O-CG 3.24Å; T530-Q534 WeakPolarHBondContact O-CG 3.25Å; T530-Q534 PolarHBondContact O-N 3.12Å |
| 535 | G | 45.3 | Very low | 59.9 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 73% | 0.732 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -11.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V531 Q532 E533 | V531-G535 PolarHBondContact O-N 3.34Å; Q532-G535 PolarHBondContact O-N 2.96Å; E533-G535 PolarHBondContact O-N 2.99Å |
| 536 | S | 51.2 | Low | 59.4 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 61% | 0.608 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 8.5 | -169.6 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | Q532 E533 | Q532-S536 PolarHBondContact O-N 3.29Å; Q532-S536 PolarHBondContact O-OG 3.03Å; E533-S536 WeakPolarHBondContact CA-OG 3.17Å; E533-S536 PolarHBondContact O-N 3.34Å; E533-S536 VanDerWaalsContact O-N 3.12Å; E533-S536 PolarHBondContact O-OG 2.89Å |
| 537 | K | 47.9 | Very low | 59.2 | Low | 137 Ų | 137 | 109.3 Ų | 109.3 | 60% | 0.596 | 59% | 0.594 | S | S | * | * | trans | -125 | 103.9 | 170.2 | -69.3 | -178.9 | -176.5 | 167.4 | 0 | 111.1 | E533 D539 | E533-K537 PolarHBondContact O-N 3.46Å; K537-D539 PolarHBondContact O-N 3.33Å | ||
| 538 | A | 50.4 | Low | 59 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 87% | 0.868 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 19.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 539 | D | 54.6 | Low | 59.2 | Low | 129 Ų | 129 | 109.6 Ų | 109.6 | 69% | 0.69 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | -30.8 | -173.7 | -124.9 | -4.7 | 0 | 0 | 0 | 114.3 | K537 S542 | K537-D539 PolarHBondContact O-N 3.33Å; D539-S542 PolarHBondContact O-N 3.38Å; D539-S542 PolarHBondContact O-OG 3.31Å |
| 540 | D | 49.1 | Very low | 59.6 | Low | 116 Ų | 116 | 107.7 Ų | 107.7 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.9 | -15.8 | 176.6 | -81.6 | -26.7 | 0 | 0 | 0 | 113.9 | S542 V543 L544 | D540-S542 PolarHBondContact O-N 2.89Å; D540-V543 PolarHBondContact O-N 2.93Å; D540-L544 PolarHBondContact O-N 3.07Å |
| 541 | S | 49.3 | Very low | 60.1 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62 | -31.1 | 169.6 | -173.1 | 0 | 0 | 0 | 0 | 111 | K545 | S541-K545 WeakPolarHBondContact O-CB 3.4Å; S541-K545 PolarHBondContact O-N 3.05Å |
| 542 | S | 56.5 | Low | 61.1 | Low | 68 Ų | 68 | 107.9 Ų | 107.9 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.5 | -40.2 | -179.9 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | D539 D540 K546 | D539-S542 PolarHBondContact O-N 3.38Å; D539-S542 PolarHBondContact O-OG 3.31Å; D540-S542 PolarHBondContact O-N 2.89Å; S542-K546 WeakPolarHBondContact O-CB 3.15Å; S542-K546 PolarHBondContact O-N 3.34Å |
| 543 | V | 61.1 | Low | 62.3 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 44% | 0.442 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -79.7 | -39.5 | -175.5 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | D540 K546 K547 | D540-V543 PolarHBondContact O-N 2.93Å; V543-K546 PolarHBondContact O-N 2.85Å; V543-K547 PolarHBondContact O-N 3.48Å |
| 544 | L | 57 | Low | 63.8 | Low | 127 Ų | 127 | 107.7 Ų | 107.7 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.4 | -39.2 | 174.4 | -124.1 | 86.6 | 0 | 0 | 0 | 111.5 | D540 K547 Y548 | D540-L544 PolarHBondContact O-N 3.07Å; L544-K547 PolarHBondContact O-N 3.14Å; L544-Y548 VanDerWaalsContact O-CB 3.29Å; L544-Y548 WeakPolarHBondContact O-CB 3.3Å; L544-Y548 PolarHBondContact O-N 3.36Å |
| 545 | K | 62.8 | Low | 65.4 | Low | 130 Ų | 130 | 107 Ų | 107 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.6 | -40.8 | 173.4 | -171 | 158.5 | -176.7 | 168.8 | 0 | 111.3 | S541 K547 Y548 D549 | S541-K545 WeakPolarHBondContact O-CB 3.4Å; S541-K545 PolarHBondContact O-N 3.05Å; K545-K547 PolarHBondContact O-N 3.36Å; K545-Y548 PolarHBondContact O-N 2.89Å; K545-D549 VanDerWaalsContact O-CB 3.27Å; K545-D549 WeakPolarHBondContact O-CB 3.49Å; K545-D549 PolarHBondContact O-N 3.3Å |
| 546 | K | 72 | Confident | 67.3 | Low | 137 Ų | 137 | 109.1 Ų | 109.1 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.1 | -40.9 | 174.8 | -163.2 | 175.1 | -173.8 | -178.5 | 0 | 113 | S542 V543 D549 E550 | S542-K546 WeakPolarHBondContact O-CB 3.15Å; S542-K546 PolarHBondContact O-N 3.34Å; V543-K546 PolarHBondContact O-N 2.85Å; K546-D549 PolarHBondContact O-N 3.44Å; K546-E550 WeakPolarHBondContact O-CB 3.36Å; K546-E550 VanDerWaalsContact O-CG 3.28Å; K546-E550 WeakPolarHBondContact O-CG 3.33Å; K546-E550 PolarHBondContact O-N 3.45Å |
| 547 | K | 73.6 | Confident | 69 | Low | 125 Ų | 125 | 110.5 Ų | 110.5 | 54% | 0.543 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.1 | -37.4 | 173.3 | -76.7 | -174.7 | 177.5 | -179.7 | 0 | 112.7 | V543 L544 K545 H551 | V543-K547 PolarHBondContact O-N 3.48Å; L544-K547 PolarHBondContact O-N 3.14Å; K545-K547 PolarHBondContact O-N 3.36Å; K547-H551 WeakPolarHBondContact O-CB 3.3Å; K547-H551 PolarHBondContact O-CD2 3.16Å; K547-H551 PolarHBondContact O-N 3.47Å |
| 548 | Y | 71.4 | Confident | 70.9 | Confident | 163 Ų | 163 | 108.2 Ų | 108.2 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.8 | -44.9 | 174.5 | -177.1 | -96.5 | 0 | 0 | 0 | 111 | L544 K545 H551 V552 | L544-Y548 VanDerWaalsContact O-CB 3.29Å; L544-Y548 WeakPolarHBondContact O-CB 3.3Å; L544-Y548 PolarHBondContact O-N 3.36Å; K545-Y548 PolarHBondContact O-N 2.89Å; Y548-H551 PolarHBondContact O-N 2.85Å; Y548-V552 HydrophobicContact CD1-CG2 4.08Å; Y548-V552 HydrophobicContact CE1-CG2 3.79Å; Y548-V552 WeakPolarHBondContact O-CB 3.34Å; Y548-V552 VanDerWaalsContact O-CG2 3.26Å; Y548-V552 WeakPolarHBondContact O-CG2 3.37Å; Y548-V552 PolarHBondContact O-N 3.27Å |
| 549 | D | 76.2 | Confident | 72.5 | Confident | 80 Ų | 80 | 107.5 Ų | 107.5 | 43% | 0.428 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.8 | -66.2 | -21.2 | 0 | 0 | 0 | 110.8 | K545 K546 H551 V552 E553 | K545-D549 VanDerWaalsContact O-CB 3.27Å; K545-D549 WeakPolarHBondContact O-CB 3.49Å; K545-D549 PolarHBondContact O-N 3.3Å; K546-D549 PolarHBondContact O-N 3.44Å; D549-H551 PolarHBondContact O-N 3.37Å; D549-V552 PolarHBondContact O-N 3.41Å; D549-E553 VanDerWaalsContact O-CB 3.29Å; D549-E553 WeakPolarHBondContact O-CB 3.37Å; D549-E553 PolarHBondContact O-N 3.38Å |
| 550 | E | 80.8 | Confident | 74.2 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 172.9 | -80.4 | 173.6 | -166.1 | 0 | 0 | 112.7 | K546 K554 | K546-E550 WeakPolarHBondContact O-CB 3.36Å; K546-E550 VanDerWaalsContact O-CG 3.28Å; K546-E550 WeakPolarHBondContact O-CG 3.33Å; K546-E550 PolarHBondContact O-N 3.45Å; E550-K554 WeakPolarHBondContact O-CB 3.04Å; E550-K554 WeakPolarHBondContact O-CG 3.3Å; E550-K554 PolarHBondContact O-N 3.43Å |
| 551 | H | 77.3 | Confident | 76.1 | Confident | 121 Ų | 121 | 105.3 Ų | 105.3 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.3 | -36.2 | 175.6 | -86.3 | -66.1 | 0 | 0 | 0 | 112.3 | K547 Y548 D549 L555 | K547-H551 WeakPolarHBondContact O-CB 3.3Å; K547-H551 PolarHBondContact O-CD2 3.16Å; K547-H551 PolarHBondContact O-N 3.47Å; Y548-H551 PolarHBondContact O-N 2.85Å; D549-H551 PolarHBondContact O-N 3.37Å; H551-L555 WeakPolarHBondContact O-CB 3.46Å; H551-L555 PolarHBondContact O-N 3.46Å |
| 552 | V | 83.1 | Confident | 78 | Confident | 49 Ų | 49 | 105.7 Ų | 105.7 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 173.9 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | Y548 D549 L555 Q556 | Y548-V552 HydrophobicContact CD1-CG2 4.08Å; Y548-V552 HydrophobicContact CE1-CG2 3.79Å; Y548-V552 WeakPolarHBondContact O-CB 3.34Å; Y548-V552 VanDerWaalsContact O-CG2 3.26Å; Y548-V552 WeakPolarHBondContact O-CG2 3.37Å; Y548-V552 PolarHBondContact O-N 3.27Å; D549-V552 PolarHBondContact O-N 3.41Å; V552-L555 WeakPolarHBondContact O-CB 3.28Å; V552-L555 PolarHBondContact O-N 3.32Å; V552-Q556 WeakPolarHBondContact O-CB 3.47Å; V552-Q556 WeakPolarHBondContact O-CG 3.47Å; V552-Q556 PolarHBondContact O-N 2.83Å |
| 553 | E | 85.1 | Confident | 79.6 | Confident | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 176.5 | -168.6 | 172.1 | -155.5 | 0 | 0 | 111.1 | D549 L555 Q556 E557 | D549-E553 VanDerWaalsContact O-CB 3.29Å; D549-E553 WeakPolarHBondContact O-CB 3.37Å; D549-E553 PolarHBondContact O-N 3.38Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 3.05Å; E553-Q556 CarbonylContact O-C 3.55Å; E553-Q556 PolarHBondContact O-N 3.03Å; E553-Q556 VanDerWaalsContact O-N 3.16Å; E553-E557 PolarHBondContact O-N 3.29Å |
| 554 | K | 86.3 | Confident | 81 | Confident | 117 Ų | 117 | 110.4 Ų | 110.4 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 171.9 | -76.6 | 173.4 | -176.5 | 168.6 | 0 | 112.8 | E550 E557 V558 | E550-K554 WeakPolarHBondContact O-CB 3.04Å; E550-K554 WeakPolarHBondContact O-CG 3.3Å; E550-K554 PolarHBondContact O-N 3.43Å; K554-E557 PolarHBondContact O-N 2.89Å; K554-V558 WeakPolarHBondContact O-CB 3.35Å; K554-V558 VanDerWaalsContact O-CG2 3.27Å; K554-V558 WeakPolarHBondContact O-CG2 3.29Å; K554-V558 PolarHBondContact O-N 3.47Å |
| 555 | L | 83.4 | Confident | 82.4 | Confident | 125 Ų | 125 | 110.6 Ų | 110.6 | 65% | 0.654 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 174.3 | -105.7 | 150.6 | 0 | 0 | 0 | 111.6 | H551 V552 E553 N559 | H551-L555 WeakPolarHBondContact O-CB 3.46Å; H551-L555 PolarHBondContact O-N 3.46Å; V552-L555 WeakPolarHBondContact O-CB 3.28Å; V552-L555 PolarHBondContact O-N 3.32Å; E553-L555 VanDerWaalsContact C-N 3.33Å; E553-L555 PolarHBondContact O-N 3.05Å; L555-N559 WeakPolarHBondContact O-CB 3.42Å; L555-N559 PolarHBondContact O-N 2.96Å |
| 556 | Q | 83.9 | Confident | 83.5 | Confident | 116 Ų | 116 | 107.8 Ų | 107.8 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 175 | -76.2 | 177.2 | -10.9 | 0 | 0 | 112 | V552 E553 N559 N560 | V552-Q556 WeakPolarHBondContact O-CB 3.47Å; V552-Q556 WeakPolarHBondContact O-CG 3.47Å; V552-Q556 PolarHBondContact O-N 2.83Å; E553-Q556 CarbonylContact O-C 3.55Å; E553-Q556 PolarHBondContact O-N 3.03Å; E553-Q556 VanDerWaalsContact O-N 3.16Å; Q556-N559 PolarHBondContact O-N 2.85Å; Q556-N560 VanDerWaalsContact O-CB 3.25Å; Q556-N560 WeakPolarHBondContact O-CB 3.35Å; Q556-N560 PolarHBondContact O-N 2.93Å; Q556-N560 PolarHBondContact O-ND2 3.4Å |
| 557 | E | 87.6 | Confident | 84.2 | Confident | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 173.4 | -82 | -174.5 | 148.8 | 0 | 0 | 111.4 | E553 K554 N559 N560 E561 | E553-E557 PolarHBondContact O-N 3.29Å; K554-E557 PolarHBondContact O-N 2.89Å; E557-N559 VanDerWaalsContact C-N 3.3Å; E557-N559 PolarHBondContact O-N 3.3Å; E557-N560 PolarHBondContact O-N 3.12Å; E557-E561 WeakPolarHBondContact O-CG 3.44Å; E557-E561 PolarHBondContact O-N 2.92Å |
| 558 | V | 86.8 | Confident | 85 | Confident | 89 Ų | 89 | 102.8 Ų | 102.8 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177.3 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | K554 E561 L562 | K554-V558 WeakPolarHBondContact O-CB 3.35Å; K554-V558 VanDerWaalsContact O-CG2 3.27Å; K554-V558 WeakPolarHBondContact O-CG2 3.29Å; K554-V558 PolarHBondContact O-N 3.47Å; V558-E561 PolarHBondContact O-N 3.03Å; V558-L562 VanDerWaalsContact O-CB 3.3Å; V558-L562 WeakPolarHBondContact O-CB 3.48Å; V558-L562 PolarHBondContact O-N 3.39Å |
| 559 | N | 85.6 | Confident | 85.6 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176.8 | -168.7 | 64.6 | 0 | 0 | 0 | 112 | L555 Q556 E557 L562 L563 | L555-N559 WeakPolarHBondContact O-CB 3.42Å; L555-N559 PolarHBondContact O-N 2.96Å; Q556-N559 PolarHBondContact O-N 2.85Å; E557-N559 VanDerWaalsContact C-N 3.3Å; E557-N559 PolarHBondContact O-N 3.3Å; N559-L562 PolarHBondContact O-N 3.25Å; N559-L563 WeakPolarHBondContact O-CB 3.34Å; N559-L563 WeakPolarHBondContact O-CG 3.45Å; N559-L563 PolarHBondContact O-N 3.47Å |
| 560 | N | 88.9 | Confident | 86.3 | Confident | 87 Ų | 87 | 100.7 Ų | 100.7 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 174.5 | -77.4 | -23.3 | 0 | 0 | 0 | 112.2 | Q556 E557 L562 L563 K564 | Q556-N560 VanDerWaalsContact O-CB 3.25Å; Q556-N560 WeakPolarHBondContact O-CB 3.35Å; Q556-N560 PolarHBondContact O-N 2.93Å; Q556-N560 PolarHBondContact O-ND2 3.4Å; E557-N560 PolarHBondContact O-N 3.12Å; N560-L562 VanDerWaalsContact C-N 3.33Å; N560-L563 PolarHBondContact O-N 3.09Å; N560-K564 WeakPolarHBondContact O-CB 3.34Å; N560-K564 VanDerWaalsContact O-CG 3.27Å; N560-K564 WeakPolarHBondContact O-CG 3.46Å; N560-K564 PolarHBondContact O-N 3.21Å |
| 561 | E | 89.2 | Confident | 86.7 | Confident | 112 Ų | 112 | 102 Ų | 102 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 172.3 | -76.1 | -168.8 | 172.7 | 0 | 0 | 111.8 | E557 V558 K564 K565 | E557-E561 WeakPolarHBondContact O-CG 3.44Å; E557-E561 PolarHBondContact O-N 2.92Å; V558-E561 PolarHBondContact O-N 3.03Å; E561-K564 PolarHBondContact O-N 3.35Å; E561-K565 WeakPolarHBondContact O-CB 3.47Å; E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 3.12Å |
| 562 | L | 88.8 | Confident | 86.9 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 177 | -160.6 | 149.4 | 0 | 0 | 0 | 111 | V558 N559 N560 K565 N566 | V558-L562 VanDerWaalsContact O-CB 3.3Å; V558-L562 WeakPolarHBondContact O-CB 3.48Å; V558-L562 PolarHBondContact O-N 3.39Å; N559-L562 PolarHBondContact O-N 3.25Å; N560-L562 VanDerWaalsContact C-N 3.33Å; L562-K565 PolarHBondContact O-N 3.05Å; L562-N566 WeakPolarHBondContact O-CB 3.48Å; L562-N566 PolarHBondContact O-N 3.46Å |
| 563 | L | 90.1 | Very high | 87.2 | Confident | 95 Ų | 95 | 104.2 Ų | 104.2 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 172.3 | -75.2 | 171.1 | 0 | 0 | 0 | 112.4 | N559 N560 N566 A567 | N559-L563 WeakPolarHBondContact O-CB 3.34Å; N559-L563 WeakPolarHBondContact O-CG 3.45Å; N559-L563 PolarHBondContact O-N 3.47Å; N560-L563 PolarHBondContact O-N 3.09Å; L563-N566 PolarHBondContact O-N 3.19Å; L563-A567 WeakPolarHBondContact O-CB 3.37Å; L563-A567 PolarHBondContact O-N 3.41Å |
| 564 | K | 90.6 | Very high | 87.4 | Confident | 145 Ų | 145 | 102.2 Ų | 102.2 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 174.4 | -75.5 | 172 | -177.2 | 176.6 | 0 | 111.8 | N560 E561 A567 I568 | N560-K564 WeakPolarHBondContact O-CB 3.34Å; N560-K564 VanDerWaalsContact O-CG 3.27Å; N560-K564 WeakPolarHBondContact O-CG 3.46Å; N560-K564 PolarHBondContact O-N 3.21Å; E561-K564 PolarHBondContact O-N 3.35Å; K564-A567 PolarHBondContact O-N 2.85Å; K564-I568 VanDerWaalsContact O-CG1 3.28Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.46Å |
| 565 | K | 86.6 | Confident | 87.6 | Confident | 130 Ų | 130 | 102 Ų | 102 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 176.4 | -76.3 | 177.3 | -179 | 168 | 0 | 111.7 | E561 L562 I568 I569 | E561-K565 WeakPolarHBondContact O-CB 3.47Å; E561-K565 WeakPolarHBondContact O-CG 3.49Å; E561-K565 PolarHBondContact O-N 3.12Å; L562-K565 PolarHBondContact O-N 3.05Å; K565-I568 PolarHBondContact O-N 3.32Å; K565-I569 VanDerWaalsContact O-CG1 3.31Å; K565-I569 WeakPolarHBondContact O-CG1 3.42Å; K565-I569 PolarHBondContact O-N 3.27Å |
| 566 | N | 85.6 | Confident | 87.9 | Confident | 71 Ų | 71 | 103.8 Ų | 103.8 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.4 | -76.3 | -2.8 | 0 | 0 | 0 | 111.5 | L562 L563 I568 I569 D570 | L562-N566 WeakPolarHBondContact O-CB 3.48Å; L562-N566 PolarHBondContact O-N 3.46Å; L563-N566 PolarHBondContact O-N 3.19Å; N566-I568 VanDerWaalsContact C-N 3.28Å; N566-I568 PolarHBondContact O-N 2.91Å; N566-I569 WeakPolarHBondContact O-CB 3.34Å; N566-I569 PolarHBondContact O-N 3.47Å; N566-I569 VanDerWaalsContact O-N 3.08Å; N566-D570 VanDerWaalsContact O-CG 3.24Å; N566-D570 PolarHBondContact O-N 3.22Å |
| 567 | A | 87.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 102.3 Ų | 102.3 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L563 K564 E571 | L563-A567 WeakPolarHBondContact O-CB 3.37Å; L563-A567 PolarHBondContact O-N 3.41Å; K564-A567 PolarHBondContact O-N 2.85Å; A567-E571 WeakPolarHBondContact O-CB 3.42Å; A567-E571 PolarHBondContact O-N 3.22Å |
| 568 | I | 89.1 | Confident | 88.5 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 174.3 | -68 | 164.3 | 0 | 0 | 0 | 111 | K564 K565 N566 E571 M572 | K564-I568 VanDerWaalsContact O-CG1 3.28Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.46Å; K565-I568 PolarHBondContact O-N 3.32Å; N566-I568 VanDerWaalsContact C-N 3.28Å; N566-I568 PolarHBondContact O-N 2.91Å; I568-E571 PolarHBondContact O-N 3.14Å; I568-M572 HydrophobicContact CG2-CG 4.25Å; I568-M572 WeakPolarHBondContact O-CB 3.3Å; I568-M572 WeakPolarHBondContact O-CG 3.47Å; I568-M572 PolarHBondContact O-N 3.17Å |
| 569 | I | 85.9 | Confident | 88.5 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 175.4 | -69.8 | 165.6 | 0 | 0 | 0 | 109.8 | K565 N566 E571 M572 E573 | K565-I569 VanDerWaalsContact O-CG1 3.31Å; K565-I569 WeakPolarHBondContact O-CG1 3.42Å; K565-I569 PolarHBondContact O-N 3.27Å; N566-I569 WeakPolarHBondContact O-CB 3.34Å; N566-I569 PolarHBondContact O-N 3.47Å; N566-I569 VanDerWaalsContact O-N 3.08Å; I569-E571 PolarHBondContact O-N 3.16Å; I569-M572 PolarHBondContact O-N 2.93Å; I569-E573 WeakPolarHBondContact O-CB 3.41Å; I569-E573 PolarHBondContact O-N 3.25Å |
| 570 | D | 89.8 | Confident | 88.9 | Confident | 103 Ų | 103 | 96.5 Ų | 96.5 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -31 | 178.3 | -64.8 | -16.5 | 0 | 0 | 0 | 112.2 | N566 P574 | N566-D570 VanDerWaalsContact O-CG 3.24Å; N566-D570 PolarHBondContact O-N 3.22Å; D570-P574 WeakPolarHBondContact O-CD 3.48Å |
| 571 | E | 88.8 | Confident | 89 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -80 | -28.4 | 175.8 | -152.5 | -159.3 | 136.3 | 0 | 0 | 113.1 | A567 I568 I569 P574 K575 | A567-E571 WeakPolarHBondContact O-CB 3.42Å; A567-E571 PolarHBondContact O-N 3.22Å; I568-E571 PolarHBondContact O-N 3.14Å; I569-E571 PolarHBondContact O-N 3.16Å; E571-P574 WeakPolarHBondContact O-CG 3.47Å; E571-K575 IonicContact OE1-NZ 2.79Å; E571-K575 PolarHBondContact OE1-NZ 3.25Å |
| 572 | M | 82.1 | Confident | 89.2 | Confident | 108 Ų | 108 | 101.4 Ų | 101.4 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -86 | -28.7 | -179.8 | -71.2 | -64.3 | -69.8 | 0 | 0 | 112.7 | I568 I569 K575 Y576 | I568-M572 HydrophobicContact CG2-CG 4.25Å; I568-M572 WeakPolarHBondContact O-CB 3.3Å; I568-M572 WeakPolarHBondContact O-CG 3.47Å; I568-M572 PolarHBondContact O-N 3.17Å; I569-M572 PolarHBondContact O-N 2.93Å; M572-K575 PolarHBondContact O-N 3.44Å; M572-K575 HydrophobicContact SD-CD 4.25Å; M572-Y576 WeakPolarHBondContact O-CB 3Å; M572-Y576 PolarHBondContact O-N 3.41Å |
| 573 | E | 89.6 | Confident | 89.2 | Confident | 107 Ų | 107 | 100.4 Ų | 100.4 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 177.6 | -169.7 | 159.9 | -142.6 | 0 | 0 | 114 | I569 K575 Y576 N577 | I569-E573 WeakPolarHBondContact O-CB 3.41Å; I569-E573 PolarHBondContact O-N 3.25Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 PolarHBondContact O-N 2.9Å; E573-Y576 PolarHBondContact O-N 2.98Å; E573-N577 WeakPolarHBondContact O-CB 3.39Å; E573-N577 VanDerWaalsContact O-CG 3.23Å; E573-N577 PolarHBondContact O-N 3.47Å; E573-N577 PolarHBondContact O-ND2 3.35Å |
| 574 | P | 90 | Very high | 89.4 | Confident | 76 Ų | 76 | 100.1 Ų | 100.1 | 49% | 0.494 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 175.9 | 25.1 | -33.7 | 0 | 0 | 0 | 112.5 | D570 E571 A578 | D570-P574 WeakPolarHBondContact O-CD 3.48Å; E571-P574 WeakPolarHBondContact O-CG 3.47Å; P574-A578 VanDerWaalsContact O-CB 3.3Å; P574-A578 WeakPolarHBondContact O-CB 3.5Å; P574-A578 PolarHBondContact O-N 3.22Å |
| 575 | K | 89.3 | Confident | 89.6 | Confident | 112 Ų | 112 | 99.2 Ų | 99.2 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 175.8 | -67 | 174.1 | -171.2 | 159 | 0 | 111.1 | E571 M572 E573 S579 | E571-K575 IonicContact OE1-NZ 2.79Å; E571-K575 PolarHBondContact OE1-NZ 3.25Å; M572-K575 PolarHBondContact O-N 3.44Å; M572-K575 HydrophobicContact SD-CD 4.25Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 PolarHBondContact O-N 2.9Å; K575-S579 WeakPolarHBondContact O-CB 3.34Å; K575-S579 PolarHBondContact O-N 3.41Å |
| 576 | Y | 90.8 | Very high | 89.8 | Confident | 164 Ų | 164 | 98.3 Ų | 98.3 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -46.8 | 173.9 | 179.3 | -95.8 | 0 | 0 | 0 | 111.3 | M572 E573 A578 S579 S580 | M572-Y576 WeakPolarHBondContact O-CB 3Å; M572-Y576 PolarHBondContact O-N 3.41Å; E573-Y576 PolarHBondContact O-N 2.98Å; Y576-A578 PolarHBondContact O-N 3.21Å; Y576-S579 WeakPolarHBondContact O-CB 3.39Å; Y576-S579 PolarHBondContact O-N 2.9Å; Y576-S579 VanDerWaalsContact O-N 3.17Å; Y576-S580 PolarHBondContact O-N 3.21Å |
| 577 | N | 91.3 | Very high | 90 | Very high | 85 Ų | 85 | 100.8 Ų | 100.8 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.4 | -70.9 | -21.1 | 0 | 0 | 0 | 112.3 | E573 S579 S580 Q581 | E573-N577 WeakPolarHBondContact O-CB 3.39Å; E573-N577 VanDerWaalsContact O-CG 3.23Å; E573-N577 PolarHBondContact O-N 3.47Å; E573-N577 PolarHBondContact O-ND2 3.35Å; N577-S579 VanDerWaalsContact C-N 3.35Å; N577-S580 PolarHBondContact O-N 2.95Å; N577-Q581 PolarHBondContact O-N 3.3Å |
| 578 | A | 91.4 | Very high | 90.3 | Very high | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P574 Y576 R582 | P574-A578 VanDerWaalsContact O-CB 3.3Å; P574-A578 WeakPolarHBondContact O-CB 3.5Å; P574-A578 PolarHBondContact O-N 3.22Å; Y576-A578 PolarHBondContact O-N 3.21Å; A578-R582 WeakPolarHBondContact O-CB 3.2Å; A578-R582 PolarHBondContact O-N 3.47Å; A578-R582 VanDerWaalsContact O-N 3.07Å |
| 579 | S | 88.1 | Confident | 90.5 | Very high | 71 Ų | 71 | 102.5 Ų | 102.5 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 174.4 | -169 | 0 | 0 | 0 | 0 | 111.8 | K575 Y576 N577 R582 V583 | K575-S579 WeakPolarHBondContact O-CB 3.34Å; K575-S579 PolarHBondContact O-N 3.41Å; Y576-S579 WeakPolarHBondContact O-CB 3.39Å; Y576-S579 PolarHBondContact O-N 2.9Å; Y576-S579 VanDerWaalsContact O-N 3.17Å; N577-S579 VanDerWaalsContact C-N 3.35Å; S579-R582 PolarHBondContact O-N 3.41Å; S579-V583 WeakPolarHBondContact O-CG2 3.27Å; S579-V583 PolarHBondContact O-N 2.9Å |
| 580 | S | 92.5 | Very high | 90.6 | Very high | 47 Ų | 47 | 103.3 Ų | 103.3 | 33% | 0.329 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | 176.9 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | Y576 N577 R582 V583 D584 | Y576-S580 PolarHBondContact O-N 3.21Å; N577-S580 PolarHBondContact O-N 2.95Å; S580-R582 VanDerWaalsContact C-N 3.27Å; S580-R582 PolarHBondContact O-N 2.96Å; S580-V583 WeakPolarHBondContact O-CB 3.41Å; S580-V583 PolarHBondContact O-N 3.07Å; S580-V583 VanDerWaalsContact O-N 3.08Å; S580-D584 PolarHBondContact O-N 3.48Å |
| 581 | Q | 92.8 | Very high | 90.9 | Very high | 127 Ų | 127 | 106 Ų | 106 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.8 | -39.8 | 175.4 | -80.2 | -178.2 | -18.4 | 0 | 0 | 112.2 | N577 V583 D584 E585 | N577-Q581 PolarHBondContact O-N 3.3Å; Q581-V583 VanDerWaalsContact C-N 3.3Å; Q581-V583 PolarHBondContact O-N 2.97Å; Q581-D584 PolarHBondContact O-N 3.45Å; Q581-E585 WeakPolarHBondContact O-CG 3.48Å; Q581-E585 PolarHBondContact O-N 3.06Å |
| 582 | R | 92.3 | Very high | 91.2 | Very high | 174 Ų | 174 | 107 Ų | 107 | 66% | 0.657 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.5 | -33.1 | 177.2 | -170 | 168.7 | -177.1 | 141.4 | 0.3 | 112.7 | A578 S579 S580 L586 | A578-R582 WeakPolarHBondContact O-CB 3.2Å; A578-R582 PolarHBondContact O-N 3.47Å; A578-R582 VanDerWaalsContact O-N 3.07Å; S579-R582 PolarHBondContact O-N 3.41Å; S580-R582 VanDerWaalsContact C-N 3.27Å; S580-R582 PolarHBondContact O-N 2.96Å; R582-L586 HydrophobicContact CG-CD1 4.44Å; R582-L586 WeakPolarHBondContact O-CB 3.5Å; R582-L586 VanDerWaalsContact O-CG 3.22Å; R582-L586 WeakPolarHBondContact O-CG 3.33Å; R582-L586 PolarHBondContact O-N 3.32Å; R582-L586 VanDerWaalsContact O-N 3.15Å |
| 583 | V | 90 | Very high | 91.6 | Very high | 69 Ų | 69 | 107.7 Ų | 107.7 | 42% | 0.418 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 172.5 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | S579 S580 Q581 E585 L586 E587 | S579-V583 WeakPolarHBondContact O-CG2 3.27Å; S579-V583 PolarHBondContact O-N 2.9Å; S580-V583 WeakPolarHBondContact O-CB 3.41Å; S580-V583 PolarHBondContact O-N 3.07Å; S580-V583 VanDerWaalsContact O-N 3.08Å; Q581-V583 VanDerWaalsContact C-N 3.3Å; Q581-V583 PolarHBondContact O-N 2.97Å; V583-E585 VanDerWaalsContact C-N 3.34Å; V583-E585 PolarHBondContact O-N 2.99Å; V583-L586 PolarHBondContact O-N 2.91Å; V583-L586 VanDerWaalsContact O-N 3.14Å; V583-E587 HydrophobicContact CG1-CG 4.39Å; V583-E587 WeakPolarHBondContact O-CG 3.43Å; V583-E587 PolarHBondContact O-N 3.4Å |
| 584 | D | 93.7 | Very high | 91.7 | Very high | 88 Ų | 88 | 106.3 Ų | 106.3 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 178.5 | -62.6 | -26.7 | 0 | 0 | 0 | 111.9 | S580 Q581 L586 E587 E588 | S580-D584 PolarHBondContact O-N 3.48Å; Q581-D584 PolarHBondContact O-N 3.45Å; D584-L586 PolarHBondContact O-N 3.32Å; D584-E587 PolarHBondContact O-N 2.89Å; D584-E588 PolarHBondContact O-N 3.26Å |
| 585 | E | 94 | Very high | 91.9 | Very high | 127 Ų | 127 | 107.3 Ų | 107.3 | 59% | 0.593 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 175.5 | -75.2 | 175.4 | -178.8 | 0 | 0 | 112.5 | Q581 V583 A589 | Q581-E585 WeakPolarHBondContact O-CG 3.48Å; Q581-E585 PolarHBondContact O-N 3.06Å; V583-E585 VanDerWaalsContact C-N 3.34Å; V583-E585 PolarHBondContact O-N 2.99Å; E585-A589 WeakPolarHBondContact O-CB 3.36Å; E585-A589 PolarHBondContact O-N 2.8Å |
| 586 | L | 90.4 | Very high | 92.1 | Very high | 111 Ų | 111 | 105.5 Ų | 105.5 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.4 | -38.2 | 177.6 | -73.8 | 171.8 | 0 | 0 | 0 | 111.7 | R582 V583 D584 A589 L590 | R582-L586 HydrophobicContact CG-CD1 4.44Å; R582-L586 WeakPolarHBondContact O-CB 3.5Å; R582-L586 VanDerWaalsContact O-CG 3.22Å; R582-L586 WeakPolarHBondContact O-CG 3.33Å; R582-L586 PolarHBondContact O-N 3.32Å; R582-L586 VanDerWaalsContact O-N 3.15Å; V583-L586 PolarHBondContact O-N 2.91Å; V583-L586 VanDerWaalsContact O-N 3.14Å; D584-L586 PolarHBondContact O-N 3.32Å; L586-A589 PolarHBondContact O-N 2.93Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 PolarHBondContact O-N 3.41Å |
| 587 | E | 90.6 | Very high | 92 | Very high | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | 174.1 | -74.1 | -173.7 | 174.5 | 0 | 0 | 111.5 | V583 D584 L590 K591 | V583-E587 HydrophobicContact CG1-CG 4.39Å; V583-E587 WeakPolarHBondContact O-CG 3.43Å; V583-E587 PolarHBondContact O-N 3.4Å; D584-E587 PolarHBondContact O-N 2.89Å; E587-L590 PolarHBondContact O-N 3.2Å; E587-K591 WeakPolarHBondContact O-CB 3.46Å; E587-K591 PolarHBondContact O-N 3.37Å |
| 588 | E | 94.6 | Very high | 92.1 | Very high | 145 Ų | 145 | 104.6 Ų | 104.6 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 176.3 | -167.2 | 171.6 | -167.4 | 0 | 0 | 111.9 | D584 K591 K592 | D584-E588 PolarHBondContact O-N 3.26Å; E588-K591 PolarHBondContact O-N 3.43Å; E588-K592 WeakPolarHBondContact O-CB 3.33Å; E588-K592 PolarHBondContact O-N 2.96Å |
| 589 | A | 92.6 | Very high | 92.2 | Very high | 50 Ų | 50 | 106.1 Ų | 106.1 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E585 L586 K592 K593 | E585-A589 WeakPolarHBondContact O-CB 3.36Å; E585-A589 PolarHBondContact O-N 2.8Å; L586-A589 PolarHBondContact O-N 2.93Å; A589-K592 PolarHBondContact O-N 2.98Å; A589-K593 WeakPolarHBondContact O-CG 3.31Å; A589-K593 PolarHBondContact O-N 3.01Å |
| 590 | L | 88.9 | Confident | 92.2 | Very high | 112 Ų | 112 | 107 Ų | 107 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -48 | 175.4 | -169.5 | 77.8 | 0 | 0 | 0 | 110.6 | L586 E587 K592 K593 D594 | L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 PolarHBondContact O-N 3.41Å; E587-L590 PolarHBondContact O-N 3.2Å; L590-K592 VanDerWaalsContact C-N 3.28Å; L590-K592 PolarHBondContact O-N 3.32Å; L590-K593 WeakPolarHBondContact O-CA 3.49Å; L590-K593 WeakPolarHBondContact O-CB 3.41Å; L590-K593 PolarHBondContact O-N 3.3Å; L590-D594 PolarHBondContact O-N 3.21Å |
| 591 | K | 94.3 | Very high | 91.9 | Very high | 160 Ų | 160 | 110.4 Ų | 110.4 | 70% | 0.696 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.6 | -38.4 | 177.9 | -169.9 | 178.9 | -178.3 | -179.1 | 0 | 112.3 | E587 E588 D594 E595 | E587-K591 WeakPolarHBondContact O-CB 3.46Å; E587-K591 PolarHBondContact O-N 3.37Å; E588-K591 PolarHBondContact O-N 3.43Å; K591-D594 PolarHBondContact O-N 3.19Å; K591-E595 PolarHBondContact O-N 2.89Å; K591-E595 VanDerWaalsContact O-N 3.13Å |
| 592 | K | 95.8 | Very high | 91.8 | Very high | 136 Ų | 136 | 110.2 Ų | 110.2 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 173.6 | -174.7 | -180 | 176.1 | -176.9 | 0 | 111.6 | E588 A589 L590 E595 E596 | E588-K592 WeakPolarHBondContact O-CB 3.33Å; E588-K592 PolarHBondContact O-N 2.96Å; A589-K592 PolarHBondContact O-N 2.98Å; L590-K592 VanDerWaalsContact C-N 3.28Å; L590-K592 PolarHBondContact O-N 3.32Å; K592-E595 PolarHBondContact O-N 3.17Å; K592-E596 WeakPolarHBondContact CE-OE1 3.22Å; K592-E596 WeakPolarHBondContact O-CG 3.42Å; K592-E596 PolarHBondContact O-N 3.35Å |
| 593 | K | 90.5 | Very high | 91.8 | Very high | 123 Ų | 123 | 108.7 Ų | 108.7 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177.1 | -75.6 | -73.9 | 167.4 | -158.6 | 0 | 112.7 | A589 L590 E595 E596 M597 | A589-K593 WeakPolarHBondContact O-CG 3.31Å; A589-K593 PolarHBondContact O-N 3.01Å; L590-K593 WeakPolarHBondContact O-CA 3.49Å; L590-K593 WeakPolarHBondContact O-CB 3.41Å; L590-K593 PolarHBondContact O-N 3.3Å; K593-E595 VanDerWaalsContact C-N 3.31Å; K593-E595 PolarHBondContact O-N 2.91Å; K593-E596 IonicContact NZ-OE2 3.91Å; K593-E596 PolarHBondContact NZ-OE2 2.94Å; K593-E596 PolarHBondContact O-N 2.86Å; K593-M597 WeakPolarHBondContact O-CB 3.42Å; K593-M597 PolarHBondContact O-N 2.99Å |
| 594 | D | 91.4 | Very high | 91.7 | Very high | 77 Ų | 77 | 112.5 Ų | 112.5 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 174.1 | -73.1 | -20.2 | 0 | 0 | 0 | 111.9 | L590 K591 M597 K598 | L590-D594 PolarHBondContact O-N 3.21Å; K591-D594 PolarHBondContact O-N 3.19Å; D594-M597 PolarHBondContact O-N 3.39Å; D594-K598 WeakPolarHBondContact O-CG 3.42Å; D594-K598 PolarHBondContact O-N 2.82Å |
| 595 | E | 94.4 | Very high | 91.6 | Very high | 97 Ų | 97 | 115.5 Ų | 115.5 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 176.2 | -171.9 | 58 | -151.9 | 0 | 0 | 112 | K591 K592 K593 M597 K598 Q599 | K591-E595 PolarHBondContact O-N 2.89Å; K591-E595 VanDerWaalsContact O-N 3.13Å; K592-E595 PolarHBondContact O-N 3.17Å; K593-E595 VanDerWaalsContact C-N 3.31Å; K593-E595 PolarHBondContact O-N 2.91Å; E595-M597 VanDerWaalsContact C-N 3.3Å; E595-M597 PolarHBondContact O-N 3.44Å; E595-K598 PolarHBondContact O-N 3.24Å; E595-Q599 WeakPolarHBondContact O-CG 3.45Å; E595-Q599 PolarHBondContact O-N 2.88Å |
| 596 | E | 93.6 | Very high | 91.5 | Very high | 74 Ų | 74 | 116.3 Ų | 116.3 | 35% | 0.346 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 171.5 | -73.9 | 173.5 | -172.1 | 0 | 0 | 111.4 | K592 K593 Q599 M600 | K592-E596 WeakPolarHBondContact CE-OE1 3.22Å; K592-E596 WeakPolarHBondContact O-CG 3.42Å; K592-E596 PolarHBondContact O-N 3.35Å; K593-E596 IonicContact NZ-OE2 3.91Å; K593-E596 PolarHBondContact NZ-OE2 2.94Å; K593-E596 PolarHBondContact O-N 2.86Å; E596-Q599 PolarHBondContact O-N 2.99Å; E596-M600 WeakPolarHBondContact O-CG 3.48Å; E596-M600 PolarHBondContact O-N 3.41Å |
| 597 | M | 89.8 | Confident | 91.4 | Very high | 110 Ų | 110 | 118.5 Ų | 118.5 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 177.7 | -169 | 179.8 | -60.1 | 0 | 0 | 111.7 | K593 D594 E595 Q599 M600 E601 | K593-M597 WeakPolarHBondContact O-CB 3.42Å; K593-M597 PolarHBondContact O-N 2.99Å; D594-M597 PolarHBondContact O-N 3.39Å; E595-M597 VanDerWaalsContact C-N 3.3Å; E595-M597 PolarHBondContact O-N 3.44Å; M597-Q599 VanDerWaalsContact C-N 3.33Å; M597-Q599 PolarHBondContact O-N 2.79Å; M597-M600 WeakPolarHBondContact O-CB 3.43Å; M597-M600 PolarHBondContact O-N 2.86Å; M597-M600 VanDerWaalsContact O-N 3.13Å; M597-E601 WeakPolarHBondContact O-CG 3.26Å; M597-E601 PolarHBondContact O-N 3.46Å |
| 598 | K | 93.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 117.6 Ų | 117.6 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 174.5 | -77.4 | 176.9 | -177.9 | 170.2 | 0 | 112.6 | D594 E595 M600 E601 E602 | D594-K598 WeakPolarHBondContact O-CG 3.42Å; D594-K598 PolarHBondContact O-N 2.82Å; E595-K598 PolarHBondContact O-N 3.24Å; K598-M600 VanDerWaalsContact C-N 3.3Å; K598-M600 PolarHBondContact O-N 3.02Å; K598-E601 PolarHBondContact O-N 3.24Å; K598-E602 PolarHBondContact O-N 3.43Å |
| 599 | Q | 93.1 | Very high | 91 | Very high | 89 Ų | 89 | 114.5 Ų | 114.5 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.6 | -71.6 | 177.5 | 25.4 | 0 | 0 | 111.8 | E595 E596 M597 R603 | E595-Q599 WeakPolarHBondContact O-CG 3.45Å; E595-Q599 PolarHBondContact O-N 2.88Å; E596-Q599 PolarHBondContact O-N 2.99Å; M597-Q599 VanDerWaalsContact C-N 3.33Å; M597-Q599 PolarHBondContact O-N 2.79Å; Q599-R603 VanDerWaalsContact O-CG 3.28Å; Q599-R603 WeakPolarHBondContact O-CG 3.49Å; Q599-R603 PolarHBondContact O-N 3.39Å; Q599-R603 VanDerWaalsContact O-N 3.07Å |
| 600 | M | 86.6 | Confident | 90.7 | Very high | 89 Ų | 89 | 119.3 Ų | 119.3 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 173.2 | -76.4 | -69.1 | -74.2 | 0 | 0 | 111.8 | E596 M597 K598 E602 R603 Y604 | E596-M600 WeakPolarHBondContact O-CG 3.48Å; E596-M600 PolarHBondContact O-N 3.41Å; M597-M600 WeakPolarHBondContact O-CB 3.43Å; M597-M600 PolarHBondContact O-N 2.86Å; M597-M600 VanDerWaalsContact O-N 3.13Å; K598-M600 VanDerWaalsContact C-N 3.3Å; K598-M600 PolarHBondContact O-N 3.02Å; M600-E602 VanDerWaalsContact C-N 3.34Å; M600-E602 PolarHBondContact O-N 3.21Å; M600-R603 WeakPolarHBondContact O-CB 3.29Å; M600-R603 PolarHBondContact O-N 3.47Å; M600-R603 VanDerWaalsContact O-N 3.16Å; M600-Y604 HydrophobicContact CE-CE2 3.82Å; M600-Y604 WeakPolarHBondContact O-CD2 3.28Å; M600-Y604 PolarHBondContact O-N 3.1Å |
| 601 | E | 86.7 | Confident | 90.3 | Very high | 119 Ų | 119 | 116.4 Ų | 116.4 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 175.5 | -72.5 | 179.7 | 165.7 | 0 | 0 | 112.2 | M597 K598 R603 Y604 K605 | M597-E601 WeakPolarHBondContact O-CG 3.26Å; M597-E601 PolarHBondContact O-N 3.46Å; K598-E601 PolarHBondContact O-N 3.24Å; E601-R603 VanDerWaalsContact C-N 3.35Å; E601-R603 PolarHBondContact O-N 2.95Å; E601-Y604 PolarHBondContact O-N 3.03Å; E601-K605 WeakPolarHBondContact O-CB 3.41Å; E601-K605 PolarHBondContact O-N 2.94Å |
| 602 | E | 92 | Very high | 89.8 | Confident | 122 Ų | 122 | 113.1 Ų | 113.1 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -38.8 | 175.3 | -79.2 | -167.2 | 166.6 | 0 | 0 | 112.7 | K598 M600 K605 K606 | K598-E602 PolarHBondContact O-N 3.43Å; M600-E602 VanDerWaalsContact C-N 3.34Å; M600-E602 PolarHBondContact O-N 3.21Å; E602-K605 PolarHBondContact O-N 3.34Å; E602-K606 WeakPolarHBondContact O-CG 3.45Å; E602-K606 PolarHBondContact O-N 3.05Å |
| 603 | R | 91.6 | Very high | 89.1 | Confident | 142 Ų | 142 | 109.5 Ų | 109.5 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 174.7 | -73.5 | 174.1 | -173.6 | -162.5 | 4.2 | 110.9 | Q599 M600 E601 K605 K606 Y607 | Q599-R603 VanDerWaalsContact O-CG 3.28Å; Q599-R603 WeakPolarHBondContact O-CG 3.49Å; Q599-R603 PolarHBondContact O-N 3.39Å; Q599-R603 VanDerWaalsContact O-N 3.07Å; M600-R603 WeakPolarHBondContact O-CB 3.29Å; M600-R603 PolarHBondContact O-N 3.47Å; M600-R603 VanDerWaalsContact O-N 3.16Å; E601-R603 VanDerWaalsContact C-N 3.35Å; E601-R603 PolarHBondContact O-N 2.95Å; R603-K605 VanDerWaalsContact C-N 3.33Å; R603-K605 PolarHBondContact O-N 3.21Å; R603-K606 WeakPolarHBondContact O-CB 3.37Å; R603-K606 PolarHBondContact O-N 3.04Å; R603-Y607 HydrophobicContact CB-CE2 4.37Å; R603-Y607 WeakPolarHBondContact O-CD2 3.38Å; R603-Y607 PolarHBondContact O-N 3.04Å |
| 604 | Y | 87.1 | Confident | 88.6 | Confident | 150 Ų | 150 | 106.9 Ų | 106.9 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.5 | -45 | 175.2 | -82.6 | -61.8 | 0 | 0 | 0 | 111.6 | M600 E601 K606 Y607 L608 | M600-Y604 HydrophobicContact CE-CE2 3.82Å; M600-Y604 WeakPolarHBondContact O-CD2 3.28Å; M600-Y604 PolarHBondContact O-N 3.1Å; E601-Y604 PolarHBondContact O-N 3.03Å; Y604-K606 VanDerWaalsContact C-N 3.31Å; Y604-K606 PolarHBondContact O-N 3.34Å; Y604-Y607 PolarHBondContact O-N 3.37Å; Y604-L608 WeakPolarHBondContact O-CB 3.44Å; Y604-L608 PolarHBondContact O-N 2.88Å |
| 605 | K | 92.8 | Very high | 87.8 | Confident | 151 Ų | 151 | 108.6 Ų | 108.6 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59 | -41 | 176.3 | -169 | 174.8 | -178.1 | 176.7 | 0 | 112.1 | E601 E602 R603 L608 E609 | E601-K605 WeakPolarHBondContact O-CB 3.41Å; E601-K605 PolarHBondContact O-N 2.94Å; E602-K605 PolarHBondContact O-N 3.34Å; R603-K605 VanDerWaalsContact C-N 3.33Å; R603-K605 PolarHBondContact O-N 3.21Å; K605-L608 PolarHBondContact O-N 3.39Å; K605-E609 WeakPolarHBondContact O-CG 3.32Å; K605-E609 PolarHBondContact O-N 2.91Å |
| 606 | K | 91.9 | Very high | 86.9 | Confident | 143 Ų | 143 | 111.5 Ų | 111.5 | 62% | 0.622 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 175.1 | -74 | 170 | -176 | 167.7 | 0 | 112.3 | E602 R603 Y604 L608 E609 K610 | E602-K606 WeakPolarHBondContact O-CG 3.45Å; E602-K606 PolarHBondContact O-N 3.05Å; R603-K606 WeakPolarHBondContact O-CB 3.37Å; R603-K606 PolarHBondContact O-N 3.04Å; Y604-K606 VanDerWaalsContact C-N 3.31Å; Y604-K606 PolarHBondContact O-N 3.34Å; K606-L608 VanDerWaalsContact C-N 3.32Å; K606-E609 PolarHBondContact O-N 3.42Å; K606-K610 WeakPolarHBondContact O-CB 3.4Å; K606-K610 PolarHBondContact O-N 3.47Å |
| 607 | Y | 88.9 | Confident | 85.7 | Confident | 158 Ų | 158 | 113.3 Ų | 113.3 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 175.2 | -69.5 | -52.8 | 0 | 0 | 0 | 112 | R603 Y604 K610 A611 | R603-Y607 HydrophobicContact CB-CE2 4.37Å; R603-Y607 WeakPolarHBondContact O-CD2 3.38Å; R603-Y607 PolarHBondContact O-N 3.04Å; Y604-Y607 PolarHBondContact O-N 3.37Å; Y607-K610 WeakPolarHBondContact O-CB 3.42Å; Y607-K610 PolarHBondContact O-N 2.67Å; Y607-A611 PolarHBondContact O-N 3.2Å |
| 608 | L | 87.4 | Confident | 84.1 | Confident | 102 Ų | 102 | 114.3 Ų | 114.3 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 179.4 | -148.3 | 123.4 | 0 | 0 | 0 | 111.6 | Y604 K605 K606 A611 K612 | Y604-L608 WeakPolarHBondContact O-CB 3.44Å; Y604-L608 PolarHBondContact O-N 2.88Å; K605-L608 PolarHBondContact O-N 3.39Å; K606-L608 VanDerWaalsContact C-N 3.32Å; L608-A611 PolarHBondContact O-N 3.32Å; L608-K612 WeakPolarHBondContact O-CG 3.48Å; L608-K612 PolarHBondContact O-N 2.94Å |
| 609 | E | 87.4 | Confident | 81.9 | Confident | 81 Ų | 81 | 112 Ų | 112 | 38% | 0.379 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 172.2 | -75.1 | -55.4 | 134.5 | 0 | 0 | 112.6 | K605 K606 K612 S613 R616 | K605-E609 WeakPolarHBondContact O-CG 3.32Å; K605-E609 PolarHBondContact O-N 2.91Å; K606-E609 PolarHBondContact O-N 3.42Å; E609-K612 PolarHBondContact O-N 3.38Å; E609-K612 WeakPolarHBondContact OE1-CD 3.48Å; E609-K612 IonicContact OE1-NZ 3.85Å; E609-K612 PolarHBondContact OE1-NZ 2.96Å; E609-S613 WeakPolarHBondContact O-CB 3.42Å; E609-S613 PolarHBondContact O-N 3.39Å; E609-R616 IonicContact OE2-NH2 3.58Å |
| 610 | K | 87.9 | Confident | 79.9 | Confident | 150 Ų | 150 | 112.9 Ų | 112.9 | 65% | 0.652 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 173.9 | -165.7 | 174.7 | -177.6 | -177.8 | 0 | 111.3 | K606 Y607 S613 V614 | K606-K610 WeakPolarHBondContact O-CB 3.4Å; K606-K610 PolarHBondContact O-N 3.47Å; Y607-K610 WeakPolarHBondContact O-CB 3.42Å; Y607-K610 PolarHBondContact O-N 2.67Å; K610-S613 WeakPolarHBondContact O-CB 3.36Å; K610-S613 PolarHBondContact O-N 2.91Å; K610-V614 WeakPolarHBondContact O-CG2 3.42Å; K610-V614 PolarHBondContact O-N 3.25Å |
| 611 | A | 80.8 | Confident | 78 | Confident | 51 Ų | 51 | 117.3 Ų | 117.3 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y607 L608 S613 V614 I615 | Y607-A611 PolarHBondContact O-N 3.2Å; L608-A611 PolarHBondContact O-N 3.32Å; A611-S613 VanDerWaalsContact C-N 3.29Å; A611-S613 PolarHBondContact O-N 3.44Å; A611-V614 PolarHBondContact O-N 2.84Å; A611-I615 VanDerWaalsContact O-CG1 3.28Å; A611-I615 WeakPolarHBondContact O-CG1 3.27Å; A611-I615 PolarHBondContact O-N 3.47Å |
| 612 | K | 83 | Confident | 76.3 | Confident | 92 Ų | 92 | 120.8 Ų | 120.8 | 40% | 0.4 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.8 | -37.1 | 173.7 | -73.5 | 174.1 | -175.7 | 167.9 | 0 | 112.8 | L608 E609 R616 | L608-K612 WeakPolarHBondContact O-CG 3.48Å; L608-K612 PolarHBondContact O-N 2.94Å; E609-K612 PolarHBondContact O-N 3.38Å; E609-K612 WeakPolarHBondContact OE1-CD 3.48Å; E609-K612 IonicContact OE1-NZ 3.85Å; E609-K612 PolarHBondContact OE1-NZ 2.96Å; K612-R616 WeakPolarHBondContact O-CB 3.36Å; K612-R616 WeakPolarHBondContact O-CG 3.32Å; K612-R616 PolarHBondContact O-N 3.03Å; K612-R616 PolarHBondContact O-NE 2.96Å |
| 613 | S | 81 | Confident | 73.9 | Confident | 59 Ų | 59 | 122 Ų | 122 | 41% | 0.413 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.4 | -46.3 | 175.7 | -166.2 | 0 | 0 | 0 | 0 | 111.4 | E609 K610 A611 I615 R616 T617 | E609-S613 WeakPolarHBondContact O-CB 3.42Å; E609-S613 PolarHBondContact O-N 3.39Å; K610-S613 WeakPolarHBondContact O-CB 3.36Å; K610-S613 PolarHBondContact O-N 2.91Å; A611-S613 VanDerWaalsContact C-N 3.29Å; A611-S613 PolarHBondContact O-N 3.44Å; S613-I615 PolarHBondContact O-N 3.4Å; S613-R616 WeakPolarHBondContact O-CB 3.5Å; S613-R616 PolarHBondContact O-N 3.03Å; S613-T617 PolarHBondContact O-N 2.88Å; S613-T617 PolarHBondContact O-OG1 3.35Å |
| 614 | V | 80.9 | Confident | 71.9 | Confident | 69 Ų | 69 | 124.9 Ų | 124.9 | 42% | 0.418 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.3 | -43.1 | 177 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | K610 A611 R616 T617 L618 | K610-V614 WeakPolarHBondContact O-CG2 3.42Å; K610-V614 PolarHBondContact O-N 3.25Å; A611-V614 PolarHBondContact O-N 2.84Å; V614-R616 PolarHBondContact O-N 3.4Å; V614-T617 VanDerWaalsContact CA-OG1 3.3Å; V614-T617 WeakPolarHBondContact CA-OG1 3.36Å; V614-T617 PolarHBondContact O-N 2.98Å; V614-T617 PolarHBondContact O-OG1 2.85Å; V614-L618 HydrophobicContact CG1-CD1 3.61Å; V614-L618 HydrophobicContact CG1-CG 4.43Å; V614-L618 WeakPolarHBondContact O-CB 3.37Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.15Å |
| 615 | I | 74.1 | Confident | 70.4 | Confident | 113 Ų | 113 | 121.1 Ų | 121.1 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.8 | -43.6 | 174 | -68.1 | 165.2 | 0 | 0 | 0 | 110.7 | A611 S613 T617 L618 D619 | A611-I615 VanDerWaalsContact O-CG1 3.28Å; A611-I615 WeakPolarHBondContact O-CG1 3.27Å; A611-I615 PolarHBondContact O-N 3.47Å; S613-I615 PolarHBondContact O-N 3.4Å; I615-T617 VanDerWaalsContact C-N 3.31Å; I615-T617 PolarHBondContact O-N 2.86Å; I615-L618 CarbonylContact O-C 3.46Å; I615-L618 PolarHBondContact O-N 3.25Å; I615-L618 VanDerWaalsContact O-N 3.17Å; I615-D619 WeakPolarHBondContact O-CB 3.42Å; I615-D619 PolarHBondContact O-N 3.45Å |
| 616 | R | 74.5 | Confident | 68.2 | Low | 158 Ų | 158 | 118.1 Ų | 118.1 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.5 | -35.5 | 175.6 | -82.7 | -177.5 | -74 | -139 | -1.9 | 113 | E609 K612 S613 V614 L618 | E609-R616 IonicContact OE2-NH2 3.58Å; K612-R616 WeakPolarHBondContact O-CB 3.36Å; K612-R616 WeakPolarHBondContact O-CG 3.32Å; K612-R616 PolarHBondContact O-N 3.03Å; K612-R616 PolarHBondContact O-NE 2.96Å; S613-R616 WeakPolarHBondContact O-CB 3.5Å; S613-R616 PolarHBondContact O-N 3.03Å; V614-R616 PolarHBondContact O-N 3.4Å; R616-L618 VanDerWaalsContact C-N 3.35Å |
| 617 | T | 68.8 | Low | 66.9 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -78.3 | -19 | 175.9 | 50 | 0 | 0 | 0 | 0 | 113.7 | S613 V614 I615 | S613-T617 PolarHBondContact O-N 2.88Å; S613-T617 PolarHBondContact O-OG1 3.35Å; V614-T617 VanDerWaalsContact CA-OG1 3.3Å; V614-T617 WeakPolarHBondContact CA-OG1 3.36Å; V614-T617 PolarHBondContact O-N 2.98Å; V614-T617 PolarHBondContact O-OG1 2.85Å; I615-T617 VanDerWaalsContact C-N 3.31Å; I615-T617 PolarHBondContact O-N 2.86Å |
| 618 | L | 56 | Low | 65.6 | Low | 131 Ų | 131 | 111.4 Ų | 111.4 | 69% | 0.686 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -98.1 | -3.4 | 175 | -70.3 | 167.8 | 0 | 0 | 0 | 112.7 | V614 I615 R616 P620 | V614-L618 HydrophobicContact CG1-CD1 3.61Å; V614-L618 HydrophobicContact CG1-CG 4.43Å; V614-L618 WeakPolarHBondContact O-CB 3.37Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.15Å; I615-L618 CarbonylContact O-C 3.46Å; I615-L618 PolarHBondContact O-N 3.25Å; I615-L618 VanDerWaalsContact O-N 3.17Å; R616-L618 VanDerWaalsContact C-N 3.35Å; L618-P620 VanDerWaalsContact O-CD 3.26Å; L618-P620 WeakPolarHBondContact O-CD 3.06Å |
| 619 | D | 47.6 | Very low | 64.2 | Low | 73 Ų | 73 | 113.9 Ų | 113.9 | 39% | 0.39 | 62% | 0.618 | S | S | . | * | trans | -72.3 | 114.1 | 178.7 | -163.5 | -7.2 | 0 | 0 | 0 | 109.6 | I615 K621 | I615-D619 WeakPolarHBondContact O-CB 3.42Å; I615-D619 PolarHBondContact O-N 3.45Å; D619-K621 PolarHBondContact O-N 3.42Å; D619-K621 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 620 | P | 50.2 | Low | 63.2 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 69% | 0.688 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -68.3 | 1.8 | -175.1 | -16.6 | 30.6 | 0 | 0 | 0 | 114.4 | L618 Q622 N623 | L618-P620 VanDerWaalsContact O-CD 3.26Å; L618-P620 WeakPolarHBondContact O-CD 3.06Å; P620-Q622 PolarHBondContact O-N 3.2Å; P620-Q622 VanDerWaalsContact O-N 3.12Å; P620-N623 PolarHBondContact O-N 2.93Å |
| 621 | K | 47.8 | Very low | 62.4 | Low | 183 Ų | 183 | 111.1 Ų | 111.1 | 80% | 0.796 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -67.7 | -6.9 | -175.4 | -75.3 | 179.9 | -178.2 | 169.6 | 0 | 115.3 | D619 | D619-K621 PolarHBondContact O-N 3.42Å; D619-K621 WeakPolarHBondContact OD1-CG 3.48Å |
| 622 | Q | 50.2 | Low | 62.2 | Low | 192 Ų | 192 | 111 Ų | 111 | 90% | 0.897 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -101.4 | -2.4 | 175 | -97.8 | -177.3 | -15.3 | 0 | 0 | 115.4 | P620 | P620-Q622 PolarHBondContact O-N 3.2Å; P620-Q622 VanDerWaalsContact O-N 3.12Å |
| 623 | N | 41.8 | Very low | 61.7 | Low | 147 Ų | 147 | 111.6 Ų | 111.6 | 79% | 0.786 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -101.9 | 110.4 | 175.9 | -136.6 | 16.9 | 0 | 0 | 0 | 110.6 | P620 G625 | P620-N623 PolarHBondContact O-N 2.93Å; N623-G625 PolarHBondContact O-N 2.95Å |
| 624 | Q | 50.4 | Low | 61.4 | Low | 202 Ų | 202 | 114.8 Ų | 114.8 | 94% | 0.944 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -63.6 | 106.2 | 176.4 | -74.9 | 178.9 | 2.6 | 0 | 0 | 110.2 | ||
| 625 | G | 55.7 | Low | 61.4 | Low | 72 Ų | 72 | 115.5 Ų | 115.5 | 74% | 0.742 | 63% | 0.627 | S | S | * | * | trans | 143.2 | 68.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N623 | N623-G625 PolarHBondContact O-N 2.95Š| ||
| 626 | S | 46.6 | Very low | 61.9 | Low | 88 Ų | 88 | 115.9 Ų | 115.9 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | trans | -76.9 | 122.8 | 165.7 | 4.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 627 | G | 63.6 | Low | 62.3 | Low | 38 Ų | 38 | 113.7 Ų | 113.7 | 39% | 0.392 | 63% | 0.626 | S | S | . | * | trans | -60.5 | 159.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E629 V630 | G627-E629 PolarHBondContact O-N 2.88Å; G627-E629 VanDerWaalsContact O-N 3.07Å; G627-V630 PolarHBondContact O-N 3.1Å | ||
| 628 | P | 61.3 | Low | 63.2 | Low | 121 Ų | 121 | 112.9 Ų | 112.9 | 79% | 0.786 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.3 | -24.5 | -172.4 | 18.8 | -30 | 0 | 0 | 0 | 114.7 | A632 | P628-A632 WeakPolarHBondContact O-CB 3.48Å; P628-A632 PolarHBondContact O-N 2.91Å |
| 629 | E | 59.8 | Low | 64.6 | Low | 154 Ų | 154 | 112.6 Ų | 112.6 | 72% | 0.72 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72 | -38.9 | -179.8 | -167.6 | 168.2 | -161.4 | 0 | 0 | 113.1 | G627 Q631 A632 L633 | G627-E629 PolarHBondContact O-N 2.88Å; G627-E629 VanDerWaalsContact O-N 3.07Å; E629-Q631 VanDerWaalsContact C-N 3.3Å; E629-Q631 PolarHBondContact O-N 2.88Å; E629-A632 PolarHBondContact O-N 3.41Å; E629-L633 WeakPolarHBondContact O-CG 3.42Å; E629-L633 PolarHBondContact O-N 3.35Å |
| 630 | V | 64.5 | Low | 66.4 | Low | 75 Ų | 75 | 115.7 Ų | 115.7 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.2 | -33.8 | 176.5 | 179 | 0 | 0 | 0 | 0 | 110.8 | G627 K634 | G627-V630 PolarHBondContact O-N 3.1Å; V630-K634 WeakPolarHBondContact O-CB 3.41Å; V630-K634 WeakPolarHBondContact O-CG 3.43Å; V630-K634 PolarHBondContact O-N 2.86Å |
| 631 | Q | 72.6 | Confident | 68.2 | Low | 98 Ų | 98 | 115.5 Ų | 115.5 | 46% | 0.458 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71 | -37.4 | 174.9 | -164.7 | 66 | 16.3 | 0 | 0 | 111.7 | E629 K634 N635 | E629-Q631 VanDerWaalsContact C-N 3.3Å; E629-Q631 PolarHBondContact O-N 2.88Å; Q631-K634 PolarHBondContact O-N 3.41Å; Q631-N635 VanDerWaalsContact O-CG 3.28Å; Q631-N635 PolarHBondContact O-N 3.27Å |
| 632 | A | 75.5 | Confident | 70.3 | Confident | 50 Ų | 50 | 114 Ų | 114 | 41% | 0.413 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.7 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P628 E629 N635 Q636 | P628-A632 WeakPolarHBondContact O-CB 3.48Å; P628-A632 PolarHBondContact O-N 2.91Å; E629-A632 PolarHBondContact O-N 3.41Å; A632-N635 PolarHBondContact O-N 3.29Å; A632-Q636 PolarHBondContact O-N 3.32Å |
| 633 | L | 73.7 | Confident | 72.2 | Confident | 103 Ų | 103 | 109.8 Ų | 109.8 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -39.2 | 176.4 | -71.8 | 170.6 | 0 | 0 | 0 | 112.2 | E629 N635 Q636 L637 | E629-L633 WeakPolarHBondContact O-CG 3.42Å; E629-L633 PolarHBondContact O-N 3.35Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 3.42Å; L633-Q636 PolarHBondContact O-N 3Å; L633-L637 WeakPolarHBondContact O-CB 3.48Å; L633-L637 PolarHBondContact O-N 2.93Å |
| 634 | K | 73.8 | Confident | 74.2 | Confident | 127 Ų | 127 | 107.8 Ų | 107.8 | 55% | 0.552 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.2 | -41.8 | 171.8 | -83 | -178 | 176.9 | 176.5 | 0 | 112.4 | V630 Q631 L637 Q638 | V630-K634 WeakPolarHBondContact O-CB 3.41Å; V630-K634 WeakPolarHBondContact O-CG 3.43Å; V630-K634 PolarHBondContact O-N 2.86Å; Q631-K634 PolarHBondContact O-N 3.41Å; K634-L637 PolarHBondContact O-N 2.99Å; K634-Q638 WeakPolarHBondContact O-CB 3.5Å; K634-Q638 PolarHBondContact O-N 3.17Å |
| 635 | N | 80.6 | Confident | 76.2 | Confident | 84 Ų | 84 | 103.3 Ų | 103.3 | 45% | 0.449 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.4 | -41.8 | 177.7 | -73 | -12 | 0 | 0 | 0 | 111.6 | Q631 A632 L633 Q638 E639 | Q631-N635 VanDerWaalsContact O-CG 3.28Å; Q631-N635 PolarHBondContact O-N 3.27Å; A632-N635 PolarHBondContact O-N 3.29Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 3.42Å; N635-Q638 PolarHBondContact O-N 3.01Å; N635-E639 WeakPolarHBondContact O-CB 3.26Å; N635-E639 PolarHBondContact O-N 3.26Å |
| 636 | Q | 84.8 | Confident | 77.8 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 174.7 | -80.7 | -174.2 | -3.7 | 0 | 0 | 112.3 | A632 L633 Q638 E639 K640 | A632-Q636 PolarHBondContact O-N 3.32Å; L633-Q636 PolarHBondContact O-N 3Å; Q636-Q638 VanDerWaalsContact C-N 3.32Å; Q636-Q638 PolarHBondContact O-N 3.04Å; Q636-E639 PolarHBondContact O-N 3.17Å; Q636-K640 WeakPolarHBondContact O-CB 3.31Å; Q636-K640 VanDerWaalsContact O-CG 3.27Å; Q636-K640 WeakPolarHBondContact O-CG 3.39Å; Q636-K640 PolarHBondContact O-N 2.81Å |
| 637 | L | 83.1 | Confident | 79.8 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 59% | 0.586 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -45.1 | 176.8 | -165.4 | 78.8 | 0 | 0 | 0 | 110.7 | L633 K634 E639 K640 E641 | L633-L637 WeakPolarHBondContact O-CB 3.48Å; L633-L637 PolarHBondContact O-N 2.93Å; K634-L637 PolarHBondContact O-N 2.99Å; L637-E639 VanDerWaalsContact C-N 3.3Å; L637-E639 PolarHBondContact O-N 3.25Å; L637-K640 PolarHBondContact O-N 3.13Å; L637-E641 WeakPolarHBondContact O-CG 3.49Å; L637-E641 PolarHBondContact O-N 3.45Å |
| 638 | Q | 86.9 | Confident | 81 | Confident | 94 Ų | 94 | 107.4 Ų | 107.4 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.8 | -31.6 | 179.2 | -152.6 | -176.1 | 37.4 | 0 | 0 | 112.6 | K634 N635 Q636 R642 | K634-Q638 WeakPolarHBondContact O-CB 3.5Å; K634-Q638 PolarHBondContact O-N 3.17Å; N635-Q638 PolarHBondContact O-N 3.01Å; Q636-Q638 VanDerWaalsContact C-N 3.32Å; Q636-Q638 PolarHBondContact O-N 3.04Å; Q638-R642 WeakPolarHBondContact O-CG 3.34Å; Q638-R642 PolarHBondContact O-N 3.1Å; Q638-R642 VanDerWaalsContact O-N 3.08Å; Q638-R642 VanDerWaalsContact OE1-NH2 3.13Å |
| 639 | E | 86.5 | Confident | 82.5 | Confident | 125 Ų | 125 | 109.2 Ų | 109.2 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.1 | -38.3 | 174.6 | -169.2 | 161.1 | -155.1 | 0 | 0 | 111.8 | N635 Q636 L637 R642 M643 | N635-E639 WeakPolarHBondContact O-CB 3.26Å; N635-E639 PolarHBondContact O-N 3.26Å; Q636-E639 PolarHBondContact O-N 3.17Å; L637-E639 VanDerWaalsContact C-N 3.3Å; L637-E639 PolarHBondContact O-N 3.25Å; E639-R642 PolarHBondContact O-N 3.08Å; E639-M643 WeakPolarHBondContact O-CB 3.42Å; E639-M643 PolarHBondContact O-N 2.88Å |
| 640 | K | 85 | Confident | 83.8 | Confident | 137 Ų | 137 | 107.7 Ų | 107.7 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -40.1 | 172.4 | -70.2 | -72.3 | -178.5 | 177.3 | 0 | 112.1 | Q636 L637 M643 L644 | Q636-K640 WeakPolarHBondContact O-CB 3.31Å; Q636-K640 VanDerWaalsContact O-CG 3.27Å; Q636-K640 WeakPolarHBondContact O-CG 3.39Å; Q636-K640 PolarHBondContact O-N 2.81Å; L637-K640 PolarHBondContact O-N 3.13Å; K640-M643 PolarHBondContact O-N 3.4Å; K640-L644 PolarHBondContact O-N 3.4Å |
| 641 | E | 87.6 | Confident | 85 | Confident | 103 Ų | 103 | 110 Ų | 110 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 172.8 | -77.4 | 176 | 168.3 | 0 | 0 | 111.6 | L637 M643 L644 I645 | L637-E641 WeakPolarHBondContact O-CG 3.49Å; L637-E641 PolarHBondContact O-N 3.45Å; E641-M643 VanDerWaalsContact C-N 3.31Å; E641-M643 PolarHBondContact O-N 3.24Å; E641-L644 PolarHBondContact O-N 3.18Å; E641-I645 WeakPolarHBondContact O-CG1 3.22Å; E641-I645 PolarHBondContact O-N 3.39Å |
| 642 | R | 91.4 | Very high | 85.8 | Confident | 152 Ų | 152 | 110.3 Ų | 110.3 | 57% | 0.574 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.8 | -38.7 | 174.1 | -75 | -178.2 | -130.9 | 159.1 | 1.8 | 112.3 | Q638 E639 S646 | Q638-R642 WeakPolarHBondContact O-CG 3.34Å; Q638-R642 PolarHBondContact O-N 3.1Å; Q638-R642 VanDerWaalsContact O-N 3.08Å; Q638-R642 VanDerWaalsContact OE1-NH2 3.13Å; E639-R642 PolarHBondContact O-N 3.08Å; R642-S646 WeakPolarHBondContact O-CB 3.37Å; R642-S646 PolarHBondContact O-N 2.91Å |
| 643 | M | 91.4 | Very high | 86.6 | Confident | 103 Ų | 103 | 114.5 Ų | 114.5 | 51% | 0.507 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 176.9 | -173 | 177.4 | -77.1 | 0 | 0 | 111.5 | E639 K640 E641 S646 L647 | E639-M643 WeakPolarHBondContact O-CB 3.42Å; E639-M643 PolarHBondContact O-N 2.88Å; K640-M643 PolarHBondContact O-N 3.4Å; E641-M643 VanDerWaalsContact C-N 3.31Å; E641-M643 PolarHBondContact O-N 3.24Å; M643-S646 PolarHBondContact O-N 2.83Å; M643-L647 HydrophobicContact CG-CD1 4.19Å; M643-L647 WeakPolarHBondContact O-CB 3.42Å; M643-L647 WeakPolarHBondContact O-CG 3.38Å; M643-L647 PolarHBondContact O-N 3.45Å |
| 644 | L | 84.2 | Confident | 87.4 | Confident | 104 Ų | 104 | 112.8 Ų | 112.8 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.1 | -50.1 | 173.9 | -89.7 | 166 | 0 | 0 | 0 | 111.5 | K640 E641 S646 L647 E648 | K640-L644 PolarHBondContact O-N 3.4Å; E641-L644 PolarHBondContact O-N 3.18Å; L644-S646 VanDerWaalsContact C-N 3.25Å; L644-S646 PolarHBondContact O-N 2.93Å; L644-L647 PolarHBondContact O-N 3.39Å; L644-L647 VanDerWaalsContact O-N 3.13Å; L644-E648 WeakPolarHBondContact O-CG 3.49Å; L644-E648 PolarHBondContact O-N 2.89Å |
| 645 | I | 91.1 | Very high | 88.2 | Confident | 109 Ų | 109 | 112.3 Ų | 112.3 | 56% | 0.559 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.6 | -38.1 | 177.5 | -66.1 | 165.9 | 0 | 0 | 0 | 111.2 | E641 K649 | E641-I645 WeakPolarHBondContact O-CG1 3.22Å; E641-I645 PolarHBondContact O-N 3.39Å; I645-K649 WeakPolarHBondContact O-CB 3.39Å; I645-K649 PolarHBondContact O-N 3.2Å; I645-K649 VanDerWaalsContact O-N 3.1Å |
| 646 | S | 89.9 | Confident | 88.7 | Confident | 69 Ų | 69 | 112 Ų | 112 | 48% | 0.483 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 176.7 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | R642 M643 L644 K649 E650 | R642-S646 WeakPolarHBondContact O-CB 3.37Å; R642-S646 PolarHBondContact O-N 2.91Å; M643-S646 PolarHBondContact O-N 2.83Å; L644-S646 VanDerWaalsContact C-N 3.25Å; L644-S646 PolarHBondContact O-N 2.93Å; S646-K649 PolarHBondContact O-N 3.41Å; S646-E650 PolarHBondContact O-N 3.34Å |
| 647 | L | 89 | Confident | 88.8 | Confident | 99 Ų | 99 | 111.1 Ų | 111.1 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 178.4 | -76.1 | 170.1 | 0 | 0 | 0 | 111.7 | M643 L644 K649 E650 M651 | M643-L647 HydrophobicContact CG-CD1 4.19Å; M643-L647 WeakPolarHBondContact O-CB 3.42Å; M643-L647 WeakPolarHBondContact O-CG 3.38Å; M643-L647 PolarHBondContact O-N 3.45Å; L644-L647 PolarHBondContact O-N 3.39Å; L644-L647 VanDerWaalsContact O-N 3.13Å; L647-K649 VanDerWaalsContact C-N 3.3Å; L647-K649 PolarHBondContact O-N 2.96Å; L647-E650 PolarHBondContact O-N 3.26Å; L647-M651 WeakPolarHBondContact O-CB 3.44Å; L647-M651 PolarHBondContact O-N 3.46Å |
| 648 | E | 88.6 | Confident | 89 | Confident | 116 Ų | 116 | 112.4 Ų | 112.4 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 173.2 | -75.1 | 175.5 | 169.2 | 0 | 0 | 110.9 | L644 E650 M651 D652 | L644-E648 WeakPolarHBondContact O-CG 3.49Å; L644-E648 PolarHBondContact O-N 2.89Å; E648-E650 PolarHBondContact O-N 2.94Å; E648-M651 PolarHBondContact O-N 3.4Å; E648-D652 PolarHBondContact O-N 3.13Å |
| 649 | K | 91.9 | Very high | 89.2 | Confident | 159 Ų | 159 | 111.3 Ų | 111.3 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -37.7 | 177.7 | -169.2 | 176.3 | -178 | 178 | 0 | 113 | I645 S646 L647 K653 | I645-K649 WeakPolarHBondContact O-CB 3.39Å; I645-K649 PolarHBondContact O-N 3.2Å; I645-K649 VanDerWaalsContact O-N 3.1Å; S646-K649 PolarHBondContact O-N 3.41Å; L647-K649 VanDerWaalsContact C-N 3.3Å; L647-K649 PolarHBondContact O-N 2.96Å; K649-K653 WeakPolarHBondContact O-CB 3.48Å; K649-K653 PolarHBondContact O-N 3.48Å |
| 650 | E | 88.4 | Confident | 89.4 | Confident | 122 Ų | 122 | 110.8 Ų | 110.8 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.5 | -37 | 173.5 | -73.5 | -151.9 | 144.1 | 0 | 0 | 112.1 | S646 L647 E648 K653 T654 | S646-E650 PolarHBondContact O-N 3.34Å; L647-E650 PolarHBondContact O-N 3.26Å; E648-E650 PolarHBondContact O-N 2.94Å; E650-K653 PolarHBondContact O-N 3.28Å; E650-T654 WeakPolarHBondContact O-CB 3.41Å; E650-T654 PolarHBondContact O-N 2.91Å; E650-T654 PolarHBondContact O-OG1 3.02Å |
| 651 | M | 88.3 | Confident | 89.6 | Confident | 124 Ų | 124 | 109.8 Ų | 109.8 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 177.6 | -154 | -173.6 | 70.4 | 0 | 0 | 111.3 | L647 E648 T654 K655 | L647-M651 WeakPolarHBondContact O-CB 3.44Å; L647-M651 PolarHBondContact O-N 3.46Å; E648-M651 PolarHBondContact O-N 3.4Å; M651-T654 PolarHBondContact O-N 3.5Å; M651-K655 WeakPolarHBondContact O-CB 3.29Å; M651-K655 PolarHBondContact O-N 3.23Å |
| 652 | D | 90.7 | Very high | 89.7 | Confident | 103 Ų | 103 | 110.6 Ų | 110.6 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 173.7 | -85.4 | -13.8 | 0 | 0 | 0 | 112.2 | E648 T654 K655 S656 | E648-D652 PolarHBondContact O-N 3.13Å; D652-T654 PolarHBondContact O-N 3.3Å; D652-K655 PolarHBondContact O-N 3.34Å; D652-S656 WeakPolarHBondContact O-CB 3.46Å; D652-S656 PolarHBondContact O-N 2.87Å |
| 653 | K | 92.4 | Very high | 89.8 | Confident | 138 Ų | 138 | 110.4 Ų | 110.4 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 174.8 | -171.9 | -178.9 | 177.8 | -172.4 | 0 | 111.5 | K649 E650 K655 S656 Q657 | K649-K653 WeakPolarHBondContact O-CB 3.48Å; K649-K653 PolarHBondContact O-N 3.48Å; E650-K653 PolarHBondContact O-N 3.28Å; K653-K655 VanDerWaalsContact C-N 3.34Å; K653-S656 PolarHBondContact O-N 3.24Å; K653-Q657 WeakPolarHBondContact O-CG 3.45Å; K653-Q657 PolarHBondContact O-N 3.12Å |
| 654 | T | 89.7 | Confident | 89.8 | Confident | 68 Ų | 68 | 110.3 Ų | 110.3 | 42% | 0.417 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | E650 M651 D652 Q657 R658 | E650-T654 WeakPolarHBondContact O-CB 3.41Å; E650-T654 PolarHBondContact O-N 2.91Å; E650-T654 PolarHBondContact O-OG1 3.02Å; M651-T654 PolarHBondContact O-N 3.5Å; D652-T654 PolarHBondContact O-N 3.3Å; T654-Q657 PolarHBondContact O-N 3.41Å; T654-R658 PolarHBondContact O-N 3.29Å |
| 655 | K | 91.7 | Very high | 90.1 | Very high | 116 Ų | 116 | 110.3 Ų | 110.3 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.3 | -171.4 | 178.9 | 179.1 | -178.1 | 0 | 111.2 | M651 D652 K653 Q657 R658 D659 | M651-K655 WeakPolarHBondContact O-CB 3.29Å; M651-K655 PolarHBondContact O-N 3.23Å; D652-K655 PolarHBondContact O-N 3.34Å; K653-K655 VanDerWaalsContact C-N 3.34Å; K655-Q657 VanDerWaalsContact C-N 3.31Å; K655-Q657 PolarHBondContact O-N 2.88Å; K655-R658 PolarHBondContact O-N 2.89Å; K655-D659 PolarHBondContact O-N 3.46Å |
| 656 | S | 89.3 | Confident | 90 | Very high | 78 Ų | 78 | 109.8 Ų | 109.8 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | D652 K653 H660 | D652-S656 WeakPolarHBondContact O-CB 3.46Å; D652-S656 PolarHBondContact O-N 2.87Å; K653-S656 PolarHBondContact O-N 3.24Å; S656-H660 WeakPolarHBondContact O-CB 3.39Å; S656-H660 PolarHBondContact O-N 3.37Å |
| 657 | Q | 87.6 | Confident | 90.1 | Very high | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 173 | -77.3 | 177.7 | -21.1 | 0 | 0 | 111.9 | K653 T654 K655 D659 H660 E661 | K653-Q657 WeakPolarHBondContact O-CG 3.45Å; K653-Q657 PolarHBondContact O-N 3.12Å; T654-Q657 PolarHBondContact O-N 3.41Å; K655-Q657 VanDerWaalsContact C-N 3.31Å; K655-Q657 PolarHBondContact O-N 2.88Å; Q657-D659 PolarHBondContact O-N 3.45Å; Q657-H660 WeakPolarHBondContact O-CB 3.31Å; Q657-H660 PolarHBondContact O-N 2.97Å; Q657-H660 VanDerWaalsContact O-N 3.14Å; Q657-E661 WeakPolarHBondContact O-CG 3.32Å; Q657-E661 PolarHBondContact O-N 2.84Å |
| 658 | R | 88 | Confident | 90.1 | Very high | 139 Ų | 139 | 107.5 Ų | 107.5 | 53% | 0.525 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.5 | -80.1 | -171.6 | -73.6 | 162.5 | -6.5 | 112.1 | T654 K655 H660 E661 E662 | T654-R658 PolarHBondContact O-N 3.29Å; K655-R658 PolarHBondContact O-N 2.89Å; R658-H660 PolarHBondContact O-N 2.89Å; R658-E661 PolarHBondContact O-N 3.37Å; R658-E662 WeakPolarHBondContact O-CB 3.47Å; R658-E662 WeakPolarHBondContact O-CG 3.48Å; R658-E662 PolarHBondContact O-N 2.91Å |
| 659 | D | 90.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 111.7 Ų | 111.7 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.3 | -33.9 | 177.1 | -67.1 | -8.6 | 0 | 0 | 0 | 112 | K655 Q657 K663 | K655-D659 PolarHBondContact O-N 3.46Å; Q657-D659 PolarHBondContact O-N 3.45Å; D659-K663 WeakPolarHBondContact O-CD 3.45Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.36Å; D659-K663 PolarHBondContact O-N 3.35Å; D659-K663 VanDerWaalsContact O-N 3.16Å |
| 660 | H | 90.7 | Very high | 90 | Very high | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.3 | -44.2 | 175.1 | -174 | 70.1 | 0 | 0 | 0 | 112 | S656 Q657 R658 K663 L664 | S656-H660 WeakPolarHBondContact O-CB 3.39Å; S656-H660 PolarHBondContact O-N 3.37Å; Q657-H660 WeakPolarHBondContact O-CB 3.31Å; Q657-H660 PolarHBondContact O-N 2.97Å; Q657-H660 VanDerWaalsContact O-N 3.14Å; R658-H660 PolarHBondContact O-N 2.89Å; H660-K663 PolarHBondContact O-N 3.2Å; H660-L664 WeakPolarHBondContact O-CG 3.12Å; H660-L664 PolarHBondContact O-N 3.4Å |
| 661 | E | 90.6 | Very high | 90 | Very high | 116 Ų | 116 | 109.7 Ų | 109.7 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.7 | -73.2 | 176.9 | -176.5 | 0 | 0 | 111.4 | Q657 R658 K663 L664 I665 | Q657-E661 WeakPolarHBondContact O-CG 3.32Å; Q657-E661 PolarHBondContact O-N 2.84Å; R658-E661 PolarHBondContact O-N 3.37Å; E661-K663 VanDerWaalsContact C-N 3.34Å; E661-K663 PolarHBondContact O-N 3.41Å; E661-L664 WeakPolarHBondContact O-CB 3.41Å; E661-L664 PolarHBondContact O-N 3.22Å; E661-L664 VanDerWaalsContact O-N 3.15Å; E661-I665 VanDerWaalsContact O-CG1 3.28Å; E661-I665 WeakPolarHBondContact O-CG1 3.42Å; E661-I665 PolarHBondContact O-N 3.23Å |
| 662 | E | 89.1 | Confident | 90 | Very high | 119 Ų | 119 | 109.4 Ų | 109.4 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.9 | -44.5 | 175 | -76 | -178 | -176 | 0 | 0 | 111.5 | R658 L664 I665 V666 | R658-E662 WeakPolarHBondContact O-CB 3.47Å; R658-E662 WeakPolarHBondContact O-CG 3.48Å; R658-E662 PolarHBondContact O-N 2.91Å; E662-L664 VanDerWaalsContact C-N 3.33Å; E662-L664 PolarHBondContact O-N 2.93Å; E662-I665 PolarHBondContact O-N 3.05Å; E662-V666 WeakPolarHBondContact O-CB 3.13Å; E662-V666 VanDerWaalsContact O-CG2 3.26Å; E662-V666 WeakPolarHBondContact O-CG2 3.41Å; E662-V666 PolarHBondContact O-N 3.45Å |
| 663 | K | 92.8 | Very high | 89.8 | Confident | 149 Ų | 149 | 106 Ų | 106 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 175.5 | -74.8 | 169.2 | -174.8 | 171.5 | 0 | 112.3 | D659 H660 E661 S667 | D659-K663 WeakPolarHBondContact O-CD 3.45Å; D659-K663 VanDerWaalsContact O-CG 3.26Å; D659-K663 WeakPolarHBondContact O-CG 3.36Å; D659-K663 PolarHBondContact O-N 3.35Å; D659-K663 VanDerWaalsContact O-N 3.16Å; H660-K663 PolarHBondContact O-N 3.2Å; E661-K663 VanDerWaalsContact C-N 3.34Å; E661-K663 PolarHBondContact O-N 3.41Å; K663-S667 WeakPolarHBondContact O-CB 3.27Å; K663-S667 PolarHBondContact O-N 2.93Å |
| 664 | L | 90.9 | Very high | 89.5 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.9 | -72 | 174.9 | 0 | 0 | 0 | 111.4 | H660 E661 E662 S667 A668 | H660-L664 WeakPolarHBondContact O-CG 3.12Å; H660-L664 PolarHBondContact O-N 3.4Å; E661-L664 WeakPolarHBondContact O-CB 3.41Å; E661-L664 PolarHBondContact O-N 3.22Å; E661-L664 VanDerWaalsContact O-N 3.15Å; E662-L664 VanDerWaalsContact C-N 3.33Å; E662-L664 PolarHBondContact O-N 2.93Å; L664-S667 PolarHBondContact O-N 2.88Å; L664-A668 VanDerWaalsContact O-CB 3.31Å; L664-A668 WeakPolarHBondContact O-CB 3.31Å; L664-A668 PolarHBondContact O-N 2.83Å |
| 665 | I | 90.8 | Very high | 89.4 | Confident | 104 Ų | 104 | 104 Ų | 104 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 176.1 | -68.8 | 165.8 | 0 | 0 | 0 | 110 | E661 E662 S667 A668 W669 | E661-I665 VanDerWaalsContact O-CG1 3.28Å; E661-I665 WeakPolarHBondContact O-CG1 3.42Å; E661-I665 PolarHBondContact O-N 3.23Å; E662-I665 PolarHBondContact O-N 3.05Å; I665-S667 VanDerWaalsContact C-N 3.33Å; I665-S667 PolarHBondContact O-N 3.39Å; I665-A668 PolarHBondContact O-N 2.85Å; I665-W669 WeakPolarHBondContact O-CB 3.05Å; I665-W669 PolarHBondContact O-N 3.39Å |
| 666 | V | 90.4 | Very high | 89.1 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60 | -43.6 | 178.2 | 171 | 0 | 0 | 0 | 0 | 111 | E662 W669 Y670 | E662-V666 WeakPolarHBondContact O-CB 3.13Å; E662-V666 VanDerWaalsContact O-CG2 3.26Å; E662-V666 WeakPolarHBondContact O-CG2 3.41Å; E662-V666 PolarHBondContact O-N 3.45Å; V666-W669 PolarHBondContact O-N 2.96Å; V666-Y670 WeakPolarHBondContact O-CB 3.13Å; V666-Y670 PolarHBondContact O-N 3.38Å |
| 667 | S | 90.8 | Very high | 88.7 | Confident | 61 Ų | 61 | 106.8 Ų | 106.8 | 43% | 0.427 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | K663 L664 I665 W669 Y670 N671 | K663-S667 WeakPolarHBondContact O-CB 3.27Å; K663-S667 PolarHBondContact O-N 2.93Å; L664-S667 PolarHBondContact O-N 2.88Å; I665-S667 VanDerWaalsContact C-N 3.33Å; I665-S667 PolarHBondContact O-N 3.39Å; S667-W669 VanDerWaalsContact C-N 3.34Å; S667-W669 PolarHBondContact O-N 3.4Å; S667-Y670 PolarHBondContact O-N 3.03Å; S667-N671 WeakPolarHBondContact O-CB 3.2Å; S667-N671 VanDerWaalsContact O-CG 3.25Å; S667-N671 PolarHBondContact O-N 3.06Å; S667-N671 PolarHBondContact O-ND2 3.13Å; S667-N671 VanDerWaalsContact O-ND2 3.16Å |
| 668 | A | 89.4 | Confident | 88.6 | Confident | 59 Ų | 59 | 108.2 Ų | 108.2 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L664 I665 N671 M672 | L664-A668 VanDerWaalsContact O-CB 3.31Å; L664-A668 WeakPolarHBondContact O-CB 3.31Å; L664-A668 PolarHBondContact O-N 2.83Å; I665-A668 PolarHBondContact O-N 2.85Å; A668-N671 PolarHBondContact O-N 3.22Å; A668-M672 VanDerWaalsContact O-CB 3.28Å; A668-M672 WeakPolarHBondContact O-CB 3.46Å; A668-M672 PolarHBondContact O-N 3.25Å |
| 669 | W | 88.3 | Confident | 88.4 | Confident | 203 Ų | 203 | 107.5 Ų | 107.5 | 77% | 0.769 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 176.9 | -126.1 | 84.8 | 0 | 0 | 0 | 112 | I665 V666 S667 M672 G673 | I665-W669 WeakPolarHBondContact O-CB 3.05Å; I665-W669 PolarHBondContact O-N 3.39Å; V666-W669 PolarHBondContact O-N 2.96Å; S667-W669 VanDerWaalsContact C-N 3.34Å; S667-W669 PolarHBondContact O-N 3.4Å; W669-M672 PolarHBondContact O-N 3.12Å; W669-G673 PolarHBondContact O-N 3.5Å |
| 670 | Y | 89.3 | Confident | 87.8 | Confident | 157 Ų | 157 | 105.8 Ų | 105.8 | 62% | 0.616 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -46.6 | 175.4 | -178.5 | -97 | 0 | 0 | 0 | 111.5 | V666 S667 M672 G673 M674 | V666-Y670 WeakPolarHBondContact O-CB 3.13Å; V666-Y670 PolarHBondContact O-N 3.38Å; S667-Y670 PolarHBondContact O-N 3.03Å; Y670-M672 PolarHBondContact O-N 2.97Å; Y670-G673 PolarHBondContact O-N 2.86Å; Y670-M674 HydrophobicContact CE1-CE 4.18Å; Y670-M674 HydrophobicContact CE1-SD 4.06Å; Y670-M674 WeakPolarHBondContact O-CB 3.39Å; Y670-M674 PolarHBondContact O-N 3.43Å |
| 671 | N | 88.9 | Confident | 87.2 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 177.4 | -73.5 | -30.6 | 0 | 0 | 0 | 112.2 | S667 A668 M674 S675 | S667-N671 WeakPolarHBondContact O-CB 3.2Å; S667-N671 VanDerWaalsContact O-CG 3.25Å; S667-N671 PolarHBondContact O-N 3.06Å; S667-N671 PolarHBondContact O-ND2 3.13Å; S667-N671 VanDerWaalsContact O-ND2 3.16Å; A668-N671 PolarHBondContact O-N 3.22Å; N671-M674 PolarHBondContact O-N 3.36Å; N671-S675 VanDerWaalsContact O-CB 3.32Å; N671-S675 WeakPolarHBondContact O-CB 3.22Å; N671-S675 PolarHBondContact O-N 3.48Å |
| 672 | M | 87.8 | Confident | 86.6 | Confident | 119 Ų | 119 | 102.1 Ų | 102.1 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -46.4 | 174.1 | -176.1 | 66.1 | 88.1 | 0 | 0 | 111 | A668 W669 Y670 M674 S675 L676 | A668-M672 VanDerWaalsContact O-CB 3.28Å; A668-M672 WeakPolarHBondContact O-CB 3.46Å; A668-M672 PolarHBondContact O-N 3.25Å; W669-M672 PolarHBondContact O-N 3.12Å; Y670-M672 PolarHBondContact O-N 2.97Å; M672-M674 VanDerWaalsContact C-N 3.33Å; M672-M674 PolarHBondContact O-N 3.26Å; M672-S675 WeakPolarHBondContact O-CB 3.17Å; M672-S675 PolarHBondContact O-N 3.06Å; M672-L676 HydrophobicContact CG-CD1 4.26Å; M672-L676 WeakPolarHBondContact O-CG 3.35Å; M672-L676 PolarHBondContact O-N 3.2Å |
| 673 | G | 86.2 | Confident | 86 | Confident | 30 Ų | 30 | 101 Ų | 101 | 31% | 0.309 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W669 Y670 L676 Q677 | W669-G673 PolarHBondContact O-N 3.5Å; Y670-G673 PolarHBondContact O-N 2.86Å; G673-L676 PolarHBondContact O-N 2.77Å; G673-Q677 PolarHBondContact O-N 3.13Å |
| 674 | M | 87.3 | Confident | 85 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 176.8 | -164.6 | 162.2 | 64.7 | 0 | 0 | 111.9 | Y670 N671 M672 Q677 K678 | Y670-M674 HydrophobicContact CE1-CE 4.18Å; Y670-M674 HydrophobicContact CE1-SD 4.06Å; Y670-M674 WeakPolarHBondContact O-CB 3.39Å; Y670-M674 PolarHBondContact O-N 3.43Å; N671-M674 PolarHBondContact O-N 3.36Å; M672-M674 VanDerWaalsContact C-N 3.33Å; M672-M674 PolarHBondContact O-N 3.26Å; M674-Q677 PolarHBondContact O-N 2.7Å; M674-K678 VanDerWaalsContact O-CB 3.3Å; M674-K678 WeakPolarHBondContact O-CB 3.27Å; M674-K678 PolarHBondContact O-N 3.34Å |
| 675 | S | 86.4 | Confident | 83.9 | Confident | 70 Ų | 70 | 104.2 Ų | 104.2 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 173.5 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | N671 M672 K678 K679 | N671-S675 VanDerWaalsContact O-CB 3.32Å; N671-S675 WeakPolarHBondContact O-CB 3.22Å; N671-S675 PolarHBondContact O-N 3.48Å; M672-S675 WeakPolarHBondContact O-CB 3.17Å; M672-S675 PolarHBondContact O-N 3.06Å; S675-K678 PolarHBondContact O-N 3.37Å; S675-K679 WeakPolarHBondContact O-CB 3.36Å; S675-K679 PolarHBondContact O-N 3.15Å |
| 676 | L | 85.5 | Confident | 82.5 | Confident | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 175.3 | -72.8 | 172.5 | 0 | 0 | 0 | 112 | M672 G673 K679 A680 | M672-L676 HydrophobicContact CG-CD1 4.26Å; M672-L676 WeakPolarHBondContact O-CG 3.35Å; M672-L676 PolarHBondContact O-N 3.2Å; G673-L676 PolarHBondContact O-N 2.77Å; L676-K679 PolarHBondContact O-N 3.29Å; L676-A680 VanDerWaalsContact O-CB 3.28Å; L676-A680 WeakPolarHBondContact O-CB 3.16Å; L676-A680 PolarHBondContact O-N 3.36Å |
| 677 | Q | 82.5 | Confident | 80.9 | Confident | 149 Ų | 149 | 104.5 Ų | 104.5 | 70% | 0.696 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 173.1 | -103.5 | -174.8 | -10.9 | 0 | 0 | 111.8 | G673 M674 A680 A681 | G673-Q677 PolarHBondContact O-N 3.13Å; M674-Q677 PolarHBondContact O-N 2.7Å; Q677-A680 PolarHBondContact O-N 3.23Å; Q677-A681 WeakPolarHBondContact O-CB 3.36Å; Q677-A681 PolarHBondContact O-N 3.07Å |
| 678 | K | 84.4 | Confident | 79.3 | Confident | 132 Ų | 132 | 105.7 Ų | 105.7 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -46.8 | 176 | -175.5 | 178 | 173.9 | -176.1 | 0 | 110.9 | M674 S675 A680 A681 E682 | M674-K678 VanDerWaalsContact O-CB 3.3Å; M674-K678 WeakPolarHBondContact O-CB 3.27Å; M674-K678 PolarHBondContact O-N 3.34Å; S675-K678 PolarHBondContact O-N 3.37Å; K678-A680 PolarHBondContact O-N 2.8Å; K678-A681 CarbonylContact O-C 3.59Å; K678-A681 WeakPolarHBondContact O-CB 3.45Å; K678-A681 PolarHBondContact O-N 3.46Å; K678-A681 VanDerWaalsContact O-N 3.15Å; K678-E682 WeakPolarHBondContact CE-OE1 3.38Å; K678-E682 HydrophobicContact CG-CG 4.49Å; K678-E682 WeakPolarHBondContact O-CB 3.44Å; K678-E682 WeakPolarHBondContact O-CG 3.5Å; K678-E682 PolarHBondContact O-N 2.87Å |
| 679 | K | 83.7 | Confident | 77.6 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.6 | -171 | 176.1 | -179.3 | 178.6 | 0 | 111.8 | S675 L676 A681 E682 D683 | S675-K679 WeakPolarHBondContact O-CB 3.36Å; S675-K679 PolarHBondContact O-N 3.15Å; L676-K679 PolarHBondContact O-N 3.29Å; K679-A681 VanDerWaalsContact C-N 3.3Å; K679-A681 PolarHBondContact O-N 3.5Å; K679-E682 PolarHBondContact O-N 3.19Å; K679-D683 WeakPolarHBondContact O-CB 3.35Å; K679-D683 VanDerWaalsContact O-CG 3.3Å; K679-D683 PolarHBondContact O-N 2.83Å |
| 680 | A | 78.8 | Confident | 76 | Confident | 37 Ų | 37 | 100.7 Ų | 100.7 | 31% | 0.306 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.2 | -29 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L676 Q677 K678 R684 | L676-A680 VanDerWaalsContact O-CB 3.28Å; L676-A680 WeakPolarHBondContact O-CB 3.16Å; L676-A680 PolarHBondContact O-N 3.36Å; Q677-A680 PolarHBondContact O-N 3.23Å; K678-A680 PolarHBondContact O-N 2.8Å; A680-R684 VanDerWaalsContact O-CG 3.26Å; A680-R684 WeakPolarHBondContact O-CG 3.31Å; A680-R684 PolarHBondContact O-N 3.47Å; A680-R684 PolarHBondContact O-NE 3.41Å |
| 681 | A | 77.1 | Confident | 74.3 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.5 | -41.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q677 K678 K679 R684 L685 | Q677-A681 WeakPolarHBondContact O-CB 3.36Å; Q677-A681 PolarHBondContact O-N 3.07Å; K678-A681 CarbonylContact O-C 3.59Å; K678-A681 WeakPolarHBondContact O-CB 3.45Å; K678-A681 PolarHBondContact O-N 3.46Å; K678-A681 VanDerWaalsContact O-N 3.15Å; K679-A681 VanDerWaalsContact C-N 3.3Å; K679-A681 PolarHBondContact O-N 3.5Å; A681-R684 PolarHBondContact O-N 3.18Å; A681-L685 WeakPolarHBondContact O-CD1 3.49Å; A681-L685 PolarHBondContact O-N 3.36Å |
| 682 | E | 78.8 | Confident | 72.9 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.7 | -42.4 | 174.1 | -75 | 173.8 | 176.7 | 0 | 0 | 111.5 | K678 K679 R684 L685 A686 | K678-E682 WeakPolarHBondContact CE-OE1 3.38Å; K678-E682 HydrophobicContact CG-CG 4.49Å; K678-E682 WeakPolarHBondContact O-CB 3.44Å; K678-E682 WeakPolarHBondContact O-CG 3.5Å; K678-E682 PolarHBondContact O-N 2.87Å; K679-E682 PolarHBondContact O-N 3.19Å; E682-R684 VanDerWaalsContact C-N 3.33Å; E682-R684 PolarHBondContact O-N 3.02Å; E682-L685 CarbonylContact O-C 3.57Å; E682-L685 PolarHBondContact O-N 3.04Å; E682-L685 VanDerWaalsContact O-N 3.16Å; E682-A686 VanDerWaalsContact O-CB 3.31Å; E682-A686 WeakPolarHBondContact O-CB 3.36Å; E682-A686 PolarHBondContact O-N 2.9Å |
| 683 | D | 75.5 | Confident | 71.5 | Confident | 96 Ų | 96 | 97 Ų | 97 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.1 | -39.4 | 174.3 | -75.3 | -20.6 | 0 | 0 | 0 | 111.1 | K679 A686 N687 | K679-D683 WeakPolarHBondContact O-CB 3.35Å; K679-D683 VanDerWaalsContact O-CG 3.3Å; K679-D683 PolarHBondContact O-N 2.83Å; D683-A686 PolarHBondContact O-N 3.35Å; D683-N687 WeakPolarHBondContact O-CB 3.41Å; D683-N687 PolarHBondContact O-N 2.79Å |
| 684 | R | 71.9 | Confident | 70.3 | Confident | 183 Ų | 183 | 103.8 Ų | 103.8 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.9 | -38.9 | 172.6 | -77.3 | -178.9 | -123.5 | -141.2 | 2.2 | 112.4 | A680 A681 E682 T688 | A680-R684 VanDerWaalsContact O-CG 3.26Å; A680-R684 WeakPolarHBondContact O-CG 3.31Å; A680-R684 PolarHBondContact O-N 3.47Å; A680-R684 PolarHBondContact O-NE 3.41Å; A681-R684 PolarHBondContact O-N 3.18Å; E682-R684 VanDerWaalsContact C-N 3.33Å; E682-R684 PolarHBondContact O-N 3.02Å; R684-T688 PolarHBondContact O-N 3.02Å; R684-T688 VanDerWaalsContact O-N 3.17Å; R684-T688 PolarHBondContact O-OG1 2.83Å |
| 685 | L | 67.6 | Low | 69 | Low | 133 Ų | 133 | 104 Ų | 104 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.5 | -39 | 174.9 | -104.8 | 82 | 0 | 0 | 0 | 112.2 | A681 E682 T688 G689 | A681-L685 WeakPolarHBondContact O-CD1 3.49Å; A681-L685 PolarHBondContact O-N 3.36Å; E682-L685 CarbonylContact O-C 3.57Å; E682-L685 PolarHBondContact O-N 3.04Å; E682-L685 VanDerWaalsContact O-N 3.16Å; L685-T688 VanDerWaalsContact CA-OG1 3.26Å; L685-T688 WeakPolarHBondContact CA-OG1 3.46Å; L685-T688 PolarHBondContact O-N 3.22Å; L685-T688 PolarHBondContact O-OG1 2.81Å; L685-G689 PolarHBondContact O-N 2.83Å |
| 686 | A | 62.4 | Low | 67.6 | Low | 72 Ų | 72 | 102.1 Ų | 102.1 | 60% | 0.595 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.1 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E682 D683 T688 G689 | E682-A686 VanDerWaalsContact O-CB 3.31Å; E682-A686 WeakPolarHBondContact O-CB 3.36Å; E682-A686 PolarHBondContact O-N 2.9Å; D683-A686 PolarHBondContact O-N 3.35Å; A686-T688 VanDerWaalsContact C-N 3.28Å; A686-T688 PolarHBondContact O-N 2.93Å; A686-G689 PolarHBondContact O-N 3.41Å; A686-G689 VanDerWaalsContact O-N 3.16Å |
| 687 | N | 56.7 | Low | 66.4 | Low | 138 Ų | 138 | 105.6 Ų | 105.6 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.3 | -15.2 | 175 | -117.5 | 21.6 | 0 | 0 | 0 | 114.1 | D683 G689 S690 | D683-N687 WeakPolarHBondContact O-CB 3.41Å; D683-N687 PolarHBondContact O-N 2.79Å; N687-G689 VanDerWaalsContact C-N 3.34Å; N687-S690 PolarHBondContact O-OG 3.26Å |
| 688 | T | 56.6 | Low | 65.2 | Low | 86 Ų | 86 | 104.4 Ų | 104.4 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -3.7 | 170.6 | 23.4 | 0 | 0 | 0 | 0 | 113 | R684 L685 A686 | R684-T688 PolarHBondContact O-N 3.02Å; R684-T688 VanDerWaalsContact O-N 3.17Å; R684-T688 PolarHBondContact O-OG1 2.83Å; L685-T688 VanDerWaalsContact CA-OG1 3.26Å; L685-T688 WeakPolarHBondContact CA-OG1 3.46Å; L685-T688 PolarHBondContact O-N 3.22Å; L685-T688 PolarHBondContact O-OG1 2.81Å; A686-T688 VanDerWaalsContact C-N 3.28Å; A686-T688 PolarHBondContact O-N 2.93Å |
| 689 | G | 53.8 | Low | 63.9 | Low | 46 Ų | 46 | 106.5 Ų | 106.5 | 47% | 0.474 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -10.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L685 A686 N687 | L685-G689 PolarHBondContact O-N 2.83Å; A686-G689 PolarHBondContact O-N 3.41Å; A686-G689 VanDerWaalsContact O-N 3.16Å; N687-G689 VanDerWaalsContact C-N 3.34Å |
| 690 | S | 54.1 | Low | 62.7 | Low | 111 Ų | 111 | 108 Ų | 108 | 78% | 0.776 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 11.5 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 115 | N687 | N687-S690 PolarHBondContact O-OG 3.26Š|
| 691 | G | 55.5 | Low | 61.6 | Low | 65 Ų | 65 | 109.9 Ų | 109.9 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -156.2 | 27.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 692 | Q | 58.4 | Low | 60.6 | Low | 132 Ų | 132 | 112.9 Ų | 112.9 | 62% | 0.617 | 61% | 0.611 | S | S | * | * | trans | -119.1 | 123.3 | -178.1 | -71.3 | -77 | -25 | 0 | 0 | 112.1 | ||||
| 693 | S | 58.9 | Low | 59.2 | Low | 82 Ų | 82 | 112.8 Ų | 112.8 | 57% | 0.573 | 62% | 0.622 | S | S | * | * | trans | -66.5 | 153.5 | -177.2 | 82.8 | 0 | 0 | 0 | 0 | 113.1 | L695 A696 | S693-L695 PolarHBondContact O-N 2.82Å; S693-A696 WeakPolarHBondContact O-CB 3.25Å; S693-A696 PolarHBondContact O-N 3.17Å | ||
| 694 | F | 60.1 | Low | 58 | Low | 174 Ų | 174 | 114.1 Ų | 114.1 | 76% | 0.763 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -46.8 | -34.4 | -177.4 | -177.8 | -100 | 0 | 0 | 0 | 114.6 | A696 R697 | F694-A696 VanDerWaalsContact C-N 3.33Å; F694-A696 PolarHBondContact O-N 3.43Å; F694-R697 PolarHBondContact O-N 3.31Å |
| 695 | L | 59.7 | Low | 56.8 | Low | 98 Ų | 98 | 116.7 Ų | 116.7 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.2 | -17.8 | 179.4 | -88.7 | 157.1 | 0 | 0 | 0 | 114.9 | S693 R699 | S693-L695 PolarHBondContact O-N 2.82Å; L695-R699 PolarHBondContact O-NE 3.06Å |
| 696 | A | 57.9 | Low | 56 | Low | 30 Ų | 30 | 122 Ų | 122 | 25% | 0.248 | 65% | 0.654 | C | S | . | * | H | α-helix | trans | -80.2 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S693 F694 Q698 R699 | S693-A696 WeakPolarHBondContact O-CB 3.25Å; S693-A696 PolarHBondContact O-N 3.17Å; F694-A696 VanDerWaalsContact C-N 3.33Å; F694-A696 PolarHBondContact O-N 3.43Å; A696-Q698 VanDerWaalsContact C-N 3.35Å; A696-Q698 PolarHBondContact O-N 3.5Å; A696-R699 PolarHBondContact O-N 3.43Å |
| 697 | R | 59.6 | Low | 54.9 | Low | 178 Ų | 178 | 124.4 Ų | 124.4 | 67% | 0.672 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66 | -35.2 | 175.2 | -78.3 | -172.6 | -165.6 | -162.1 | 2.9 | 112.7 | F694 R699 Q700 | F694-R697 PolarHBondContact O-N 3.31Å; R697-R699 VanDerWaalsContact C-N 3.27Å; R697-R699 PolarHBondContact O-N 2.89Å; R697-Q700 PolarHBondContact O-N 3.02Å |
| 698 | Q | 57.3 | Low | 54 | Low | 124 Ų | 124 | 128.7 Ų | 128.7 | 58% | 0.579 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.7 | -24.5 | -178 | -162.4 | 170.9 | 17.7 | 0 | 0 | 113.4 | A696 | A696-Q698 VanDerWaalsContact C-N 3.35Å; A696-Q698 PolarHBondContact O-N 3.5Å |
| 699 | R | 58 | Low | 53.6 | Low | 176 Ų | 176 | 130.5 Ų | 130.5 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -83.9 | -23.4 | -179.5 | -69.9 | -175.6 | -117.4 | -139.5 | 3.3 | 114.2 | L695 A696 R697 T702 | L695-R699 PolarHBondContact O-NE 3.06Å; A696-R699 PolarHBondContact O-N 3.43Å; R697-R699 VanDerWaalsContact C-N 3.27Å; R697-R699 PolarHBondContact O-N 2.89Å; R699-T702 PolarHBondContact O-OG1 2.99Å |
| 700 | Q | 58.6 | Low | 52.9 | Low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77.7 | -30.1 | 177.5 | -71.4 | -176.4 | -13.8 | 0 | 0 | 112.6 | R697 T702 S703 | R697-Q700 PolarHBondContact O-N 3.02Å; Q700-T702 PolarHBondContact O-N 2.87Å; Q700-S703 PolarHBondContact O-N 3Å |
| 701 | A | 55.6 | Low | 52 | Low | 78 Ų | 78 | 134.4 Ų | 134.4 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -18.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T704 | A701-T704 PolarHBondContact O-OG1 3.15Š|
| 702 | T | 56.4 | Low | 51.2 | Low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -13.8 | -178.2 | 41.2 | 0 | 0 | 0 | 0 | 114.6 | R699 Q700 | R699-T702 PolarHBondContact O-OG1 2.99Å; Q700-T702 PolarHBondContact O-N 2.87Å |
| 703 | S | 49 | Very low | 50 | Low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -11.4 | -176 | -155.9 | 0 | 0 | 0 | 0 | 114.5 | Q700 R705 | Q700-S703 PolarHBondContact O-N 3Å; S703-R705 VanDerWaalsContact C-N 3.25Å; S703-R705 PolarHBondContact O-N 3.06Å |
| 704 | T | 49.3 | Very low | 49.2 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 7.1 | -178.6 | 27.5 | 0 | 0 | 0 | 0 | 114.8 | A701 | A701-T704 PolarHBondContact O-OG1 3.15Š|
| 705 | R | 47.6 | Very low | 47.9 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 10.1 | -173 | -112 | -174.7 | -175 | -159.1 | 1.5 | 116.8 | S703 | S703-R705 VanDerWaalsContact C-N 3.25Å; S703-R705 PolarHBondContact O-N 3.06Å |
| 706 | R | 50.7 | Low | 46.8 | Very low | 245 Ų | 245 | 139.5 Ų | 139.5 | 93% | 0.925 | 75% | 0.747 | S | S | * | * | trans | -137.4 | 101.2 | 171.9 | -83.6 | -173.9 | 179.3 | 179.2 | -0.1 | 112 | ||||
| 707 | S | 38.4 | Very low | 45.7 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -146.4 | 121.1 | 151.8 | -156 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 708 | Y | 37.7 | Very low | 44.6 | Very low | 227 Ų | 227 | 139.4 Ų | 139.4 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -97.7 | 141.4 | 173.2 | -112.3 | -93.2 | 0 | 0 | 0 | 108.3 | ||||
| 709 | P | 48.2 | Very low | 43.7 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -89 | 122.4 | -176.7 | 32.7 | -29.7 | 0 | 0 | 0 | 111.8 | ||||
| 710 | G | 39.3 | Very low | 43 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -106.4 | 100.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 711 | H | 36.7 | Very low | 42.4 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 122.4 | 175.5 | -171.3 | 74.5 | 0 | 0 | 0 | 109.5 | ||||
| 712 | V | 37.2 | Very low | 41.6 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 85% | 0.848 | 84% | 0.844 | S | S | * | * | trans | -141.3 | 114.1 | 162 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 713 | Q | 34 | Very low | 40.8 | Very low | 154 Ų | 154 | 146 Ų | 146 | 72% | 0.72 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -71 | 146.3 | 171.4 | -73.3 | 175.4 | -26 | 0 | 0 | 111.2 | ||
| 714 | P | 41.6 | Very low | 40.4 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 81% | 0.805 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -90 | 131.2 | 164.2 | 30.8 | -24.3 | 0 | 0 | 0 | 111.4 | ||
| 715 | A | 33.2 | Very low | 39.9 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 88% | 0.884 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 129.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 716 | T | 35.9 | Very low | 39.5 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 81% | 0.81 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 116.4 | 170.7 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 717 | A | 35.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 86% | 0.86 | S | S | * | * | trans | -94.6 | 106.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 718 | S | 37.1 | Very low | 38.8 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 86% | 0.86 | S | S | * | * | trans | -83.3 | 110.5 | 170.4 | -49.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 719 | N | 38.4 | Very low | 38.9 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 89% | 0.893 | 86% | 0.857 | S | S | * | * | trans | -95.9 | 110.7 | 161.9 | -95.3 | -21.9 | 0 | 0 | 0 | 108.4 | ||||
| 720 | I | 43.4 | Very low | 38.2 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 76% | 0.764 | 86% | 0.861 | S | S | * | * | trans | -98.1 | 118.2 | 163.4 | -68.2 | 169.9 | 0 | 0 | 0 | 105.6 | ||||
| 721 | T | 44.1 | Very low | 38.1 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 86% | 0.864 | S | S | * | * | trans | 177.7 | 146.3 | 136.6 | 28.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 722 | A | 39.3 | Very low | 38.2 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 100% | 1.479 | 88% | 0.875 | S | S | * | * | trans | 81 | 0 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 |
Retrieved 722 of 722 residues in 1031.9 ms
(Link to these results)