| 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 | 69.2 | Low | 89.7 | Confident | 162 Ų | 162 | 107 Ų | 107 | 80% | 0.798 | 54% | 0.535 | S | S | * | . | 0 | 145.8 | 0 | -165.9 | 175.9 | -168.6 | 0 | 0 | 107.4 | R5 W6 L9 | M1-R5 HydrophobicContact CE-CB 4.14Å; M1-R5 HydrophobicContact CG-CB 4Å; M1-W6 HydrophobicContact CE-CB 4.3Å; M1-W6 HydrophobicContact SD-CB 4Å; M1-L9 HydrophobicContact CE-CB 4.35Å; M1-L9 HydrophobicContact CE-CD1 4.04Å | |||
| 2 | S | 88.2 | Confident | 90.1 | Very high | 54 Ų | 54 | 110 Ų | 110 | 38% | 0.378 | 54% | 0.543 | S | S | . | . | trans | -79.8 | 149.4 | 171.3 | 58 | 0 | 0 | 0 | 0 | 110.1 | N4 R5 W6 | S2-N4 PolarHBondContact O-N 2.96Å; S2-R5 PolarHBondContact O-N 2.87Å; S2-R5 WeakPolarHBondContact OG-CG 3.48Å; S2-W6 PolarHBondContact O-N 2.82Å; S2-W6 VanDerWaalsContact O-N 3.16Å | ||
| 3 | P | 91 | Very high | 90.4 | Very high | 88 Ų | 88 | 111.5 Ų | 111.5 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.2 | -39.5 | 179.4 | 21.2 | -32.2 | 0 | 0 | 0 | 111.5 | R5 W6 I7 | P3-R5 VanDerWaalsContact C-N 3.32Å; P3-R5 PolarHBondContact O-N 3.16Å; P3-W6 PolarHBondContact O-N 3.22Å; P3-I7 WeakPolarHBondContact O-CG1 3.3Å; P3-I7 PolarHBondContact O-N 3.17Å |
| 4 | N | 91.7 | Very high | 90.9 | Very high | 113 Ų | 113 | 109.9 Ų | 109.9 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.1 | -39.3 | 176.1 | -53.7 | 37.7 | 0 | 0 | 0 | 112.6 | S2 L8 | S2-N4 PolarHBondContact O-N 2.96Å; N4-L8 WeakPolarHBondContact O-CB 3.18Å; N4-L8 VanDerWaalsContact O-CG 3.24Å; N4-L8 WeakPolarHBondContact O-CG 3.36Å; N4-L8 PolarHBondContact O-N 2.62Å |
| 5 | R | 89.1 | Confident | 91.2 | Very high | 146 Ų | 146 | 106.8 Ų | 106.8 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.7 | -36.2 | 175.3 | -78.6 | -178 | 178.6 | -136.8 | -4.5 | 111.6 | M1 S2 P3 L9 E277 | M1-R5 HydrophobicContact CE-CB 4.14Å; M1-R5 HydrophobicContact CG-CB 4Å; S2-R5 PolarHBondContact O-N 2.87Å; S2-R5 WeakPolarHBondContact OG-CG 3.48Å; P3-R5 VanDerWaalsContact C-N 3.32Å; P3-R5 PolarHBondContact O-N 3.16Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 2.98Å; R5-L9 VanDerWaalsContact O-N 3.09Å; R5-E277 IonicContact NH1-OE1 3.22Å; R5-E277 IonicContact NH2-OE1 2.9Å |
| 6 | W | 91.8 | Very high | 91.5 | Very high | 148 Ų | 148 | 109.7 Ų | 109.7 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.1 | -43.7 | 177.2 | -178.3 | 81 | 0 | 0 | 0 | 111.8 | M1 S2 P3 L9 L10 | M1-W6 HydrophobicContact CE-CB 4.3Å; M1-W6 HydrophobicContact SD-CB 4Å; S2-W6 PolarHBondContact O-N 2.82Å; S2-W6 VanDerWaalsContact O-N 3.16Å; P3-W6 PolarHBondContact O-N 3.22Å; W6-L9 PolarHBondContact O-N 3.06Å; W6-L10 HydrophobicContact CH2-CD2 3.93Å; W6-L10 HydrophobicContact CZ2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.09Å; W6-L10 WeakPolarHBondContact O-CB 3.32Å; W6-L10 PolarHBondContact O-N 3.24Å |
| 7 | I | 93.9 | Very high | 91.8 | Very high | 80 Ų | 80 | 108.4 Ų | 108.4 | 41% | 0.41 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.1 | -66.1 | 166.8 | 0 | 0 | 0 | 111 | P3 L9 L10 I11 | P3-I7 WeakPolarHBondContact O-CG1 3.3Å; P3-I7 PolarHBondContact O-N 3.17Å; I7-L9 PolarHBondContact O-N 3.17Å; I7-L10 PolarHBondContact O-N 2.98Å; I7-I11 HydrophobicContact CG2-CD1 3.82Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 3.1Å |
| 8 | L | 92.6 | Very high | 92.1 | Very high | 117 Ų | 117 | 109.6 Ų | 109.6 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.5 | -39.5 | 176.1 | -74.1 | 168.8 | 0 | 0 | 0 | 112.4 | N4 I11 F12 | N4-L8 WeakPolarHBondContact O-CB 3.18Å; N4-L8 VanDerWaalsContact O-CG 3.24Å; N4-L8 WeakPolarHBondContact O-CG 3.36Å; N4-L8 PolarHBondContact O-N 2.62Å; L8-I11 PolarHBondContact O-N 2.95Å; L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 PolarHBondContact O-N 2.72Å |
| 9 | L | 90.6 | Very high | 92.3 | Very high | 101 Ų | 101 | 111.1 Ų | 111.1 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 174.6 | -171.8 | 150.9 | 0 | 0 | 0 | 111.6 | M1 R5 W6 I7 F12 Y13 | M1-L9 HydrophobicContact CE-CB 4.35Å; M1-L9 HydrophobicContact CE-CD1 4.04Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 2.98Å; R5-L9 VanDerWaalsContact O-N 3.09Å; W6-L9 PolarHBondContact O-N 3.06Å; I7-L9 PolarHBondContact O-N 3.17Å; L9-F12 PolarHBondContact O-N 3.16Å; L9-Y13 WeakPolarHBondContact O-CB 3.47Å; L9-Y13 PolarHBondContact O-N 2.81Å |
| 10 | L | 93.3 | Very high | 92.5 | Very high | 67 Ų | 67 | 106.6 Ų | 106.6 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 175.5 | -179.3 | 63.2 | 0 | 0 | 0 | 112 | W6 I7 Y13 I14 | W6-L10 HydrophobicContact CH2-CD2 3.93Å; W6-L10 HydrophobicContact CZ2-CD2 4.47Å; W6-L10 HydrophobicContact CZ3-CD2 4.09Å; W6-L10 WeakPolarHBondContact O-CB 3.32Å; W6-L10 PolarHBondContact O-N 3.24Å; I7-L10 PolarHBondContact O-N 2.98Å; L10-Y13 PolarHBondContact O-N 3.18Å; L10-I14 HydrophobicContact CD1-CD1 4.13Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.99Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.5Å; L10-I14 PolarHBondContact O-N 2.89Å |
| 11 | I | 95.3 | Very high | 92.7 | Very high | 101 Ų | 101 | 104.1 Ų | 104.1 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.1 | -69.1 | 165.8 | 0 | 0 | 0 | 110.4 | I7 L8 Y13 I14 S15 | I7-I11 HydrophobicContact CG2-CD1 3.82Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.46Å; I7-I11 PolarHBondContact O-N 3.1Å; L8-I11 PolarHBondContact O-N 2.95Å; I11-Y13 PolarHBondContact O-N 3.4Å; I11-I14 PolarHBondContact O-N 2.78Å; I11-S15 PolarHBondContact O-N 2.95Å; I11-S15 PolarHBondContact O-OG 3.31Å |
| 12 | F | 93.9 | Very high | 93.9 | Very high | 143 Ų | 143 | 99.2 Ų | 99.2 | 63% | 0.627 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -47.2 | 175.3 | 176.4 | -101.9 | 0 | 0 | 0 | 111.7 | L8 L9 I14 S15 Y16 | L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 PolarHBondContact O-N 2.72Å; L9-F12 PolarHBondContact O-N 3.16Å; F12-I14 PolarHBondContact O-N 2.99Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-N 3.22Å; F12-S15 PolarHBondContact O-OG 3.37Å; F12-Y16 PolarHBondContact O-N 3.02Å |
| 13 | Y | 94.9 | Very high | 94.3 | Very high | 129 Ų | 129 | 100 Ų | 100 | 51% | 0.506 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 177.4 | 179.8 | -110.7 | 0 | 0 | 0 | 112.8 | L9 L10 I11 S15 Y16 L17 | L9-Y13 WeakPolarHBondContact O-CB 3.47Å; L9-Y13 PolarHBondContact O-N 2.81Å; L10-Y13 PolarHBondContact O-N 3.18Å; I11-Y13 PolarHBondContact O-N 3.4Å; Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 3.39Å; Y13-Y16 PolarHBondContact O-N 3.42Å; Y13-L17 HydrophobicContact CD1-CD1 4.16Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.28Å; Y13-L17 HydrophobicContact CE2-CD2 4.45Å; Y13-L17 HydrophobicContact CE2-CG 4.37Å; Y13-L17 WeakPolarHBondContact O-CG 3.19Å; Y13-L17 PolarHBondContact O-N 3.43Å |
| 14 | I | 96.8 | Very high | 94.4 | Very high | 90 Ų | 90 | 103.2 Ų | 103.2 | 46% | 0.462 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 174.7 | -68.3 | 165.2 | 0 | 0 | 0 | 110.8 | L10 I11 F12 Y16 L17 M18 | L10-I14 HydrophobicContact CD1-CD1 4.13Å; L10-I14 HydrophobicContact CD1-CG1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.99Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.5Å; L10-I14 PolarHBondContact O-N 2.89Å; I11-I14 PolarHBondContact O-N 2.78Å; F12-I14 PolarHBondContact O-N 2.99Å; I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 PolarHBondContact O-N 3.33Å; I14-L17 PolarHBondContact O-N 2.74Å; I14-M18 WeakPolarHBondContact O-CG 3.46Å; I14-M18 PolarHBondContact O-N 3.21Å |
| 15 | S | 95.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 105.2 Ų | 105.2 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | 176.7 | 71.2 | 0 | 0 | 0 | 0 | 112.9 | I11 F12 Y13 M18 F19 | I11-S15 PolarHBondContact O-N 2.95Å; I11-S15 PolarHBondContact O-OG 3.31Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-N 3.22Å; F12-S15 PolarHBondContact O-OG 3.37Å; Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 3.39Å; S15-M18 PolarHBondContact O-N 3.11Å; S15-F19 WeakPolarHBondContact O-CB 3.13Å; S15-F19 PolarHBondContact O-N 3.5Å |
| 16 | Y | 96.1 | Very high | 94.8 | Very high | 153 Ų | 153 | 106 Ų | 106 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 174.4 | -179.1 | -94.5 | 0 | 0 | 0 | 111.9 | F12 Y13 I14 F19 G20 | F12-Y16 PolarHBondContact O-N 3.02Å; Y13-Y16 PolarHBondContact O-N 3.42Å; I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 PolarHBondContact O-N 3.33Å; Y16-F19 PolarHBondContact O-N 3.28Å; Y16-G20 PolarHBondContact O-N 3.07Å |
| 17 | L | 96.3 | Very high | 94.9 | Very high | 88 Ų | 88 | 103.6 Ų | 103.6 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174 | -69.5 | 179.3 | 0 | 0 | 0 | 112.3 | Y13 I14 F19 G20 A21 | Y13-L17 HydrophobicContact CD1-CD1 4.16Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CG 4.28Å; Y13-L17 HydrophobicContact CE2-CD2 4.45Å; Y13-L17 HydrophobicContact CE2-CG 4.37Å; Y13-L17 WeakPolarHBondContact O-CG 3.19Å; Y13-L17 PolarHBondContact O-N 3.43Å; I14-L17 PolarHBondContact O-N 2.74Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 2.94Å; L17-G20 PolarHBondContact O-N 2.92Å; L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.4Å; L17-A21 PolarHBondContact O-N 3.09Å |
| 18 | M | 96.4 | Very high | 94.9 | Very high | 129 Ų | 129 | 105 Ų | 105 | 64% | 0.635 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 176 | -72.8 | -60.4 | -56.6 | 0 | 0 | 112.3 | I14 S15 A21 A22 | I14-M18 WeakPolarHBondContact O-CG 3.46Å; I14-M18 PolarHBondContact O-N 3.21Å; S15-M18 PolarHBondContact O-N 3.11Å; M18-A21 PolarHBondContact O-N 2.99Å; M18-A22 WeakPolarHBondContact O-CB 3.47Å; M18-A22 PolarHBondContact O-N 3.41Å |
| 19 | F | 96.5 | Very high | 94.8 | Very high | 139 Ų | 139 | 101.7 Ų | 101.7 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | 175.8 | -179.7 | -110.2 | 0 | 0 | 0 | 111.9 | S15 Y16 L17 A21 A22 I23 | S15-F19 WeakPolarHBondContact O-CB 3.13Å; S15-F19 PolarHBondContact O-N 3.5Å; Y16-F19 PolarHBondContact O-N 3.28Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 2.94Å; F19-A21 PolarHBondContact O-N 2.97Å; F19-A22 PolarHBondContact O-N 3.43Å; F19-I23 HydrophobicContact CD1-CD1 3.96Å; F19-I23 HydrophobicContact CE1-CD1 3.57Å; F19-I23 HydrophobicContact CE2-CD1 4.31Å; F19-I23 HydrophobicContact CG-CD1 4.5Å; F19-I23 HydrophobicContact CZ-CD1 3.76Å; F19-I23 WeakPolarHBondContact O-CG1 3.34Å; F19-I23 PolarHBondContact O-N 3.47Å; F19-I23 VanDerWaalsContact O-N 3.14Å |
| 20 | G | 96.2 | Very high | 94.7 | Very high | 20 Ų | 20 | 98.5 Ų | 98.5 | 21% | 0.206 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y16 L17 A22 I23 Y24 | Y16-G20 PolarHBondContact O-N 3.07Å; L17-G20 PolarHBondContact O-N 2.92Å; G20-A22 VanDerWaalsContact C-N 3.33Å; G20-A22 PolarHBondContact O-N 3.09Å; G20-I23 PolarHBondContact O-N 2.77Å; G20-Y24 WeakPolarHBondContact O-CD2 3.4Å; G20-Y24 PolarHBondContact O-N 3.2Å |
| 21 | A | 96.2 | Very high | 94.6 | Very high | 55 Ų | 55 | 101.2 Ų | 101.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L17 M18 F19 Y25 | L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.4Å; L17-A21 PolarHBondContact O-N 3.09Å; M18-A21 PolarHBondContact O-N 2.99Å; F19-A21 PolarHBondContact O-N 2.97Å; A21-Y25 WeakPolarHBondContact O-CB 3.36Å; A21-Y25 PolarHBondContact O-N 2.82Å |
| 22 | A | 95.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 99.6 Ų | 99.6 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M18 F19 G20 H26 | M18-A22 WeakPolarHBondContact O-CB 3.47Å; M18-A22 PolarHBondContact O-N 3.41Å; F19-A22 PolarHBondContact O-N 3.43Å; G20-A22 VanDerWaalsContact C-N 3.33Å; G20-A22 PolarHBondContact O-N 3.09Å; A22-H26 PolarHBondContact O-N 2.84Å; A22-H26 VanDerWaalsContact O-N 3.08Å |
| 23 | I | 96 | Very high | 94.2 | Very high | 71 Ų | 71 | 98.4 Ų | 98.4 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -56.6 | 176.3 | -69.1 | 166.9 | 0 | 0 | 0 | 110.5 | F19 G20 Y25 H26 I27 | F19-I23 HydrophobicContact CD1-CD1 3.96Å; F19-I23 HydrophobicContact CE1-CD1 3.57Å; F19-I23 HydrophobicContact CE2-CD1 4.31Å; F19-I23 HydrophobicContact CG-CD1 4.5Å; F19-I23 HydrophobicContact CZ-CD1 3.76Å; F19-I23 WeakPolarHBondContact O-CG1 3.34Å; F19-I23 PolarHBondContact O-N 3.47Å; F19-I23 VanDerWaalsContact O-N 3.14Å; G20-I23 PolarHBondContact O-N 2.77Å; I23-Y25 VanDerWaalsContact C-N 3.31Å; I23-Y25 PolarHBondContact O-N 3.13Å; I23-H26 PolarHBondContact O-N 3.49Å; I23-H26 VanDerWaalsContact O-N 3.14Å; I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 2.81Å; I23-I27 VanDerWaalsContact O-N 3.08Å |
| 24 | Y | 93.6 | Very high | 94 | Very high | 156 Ų | 156 | 96.1 Ų | 96.1 | 61% | 0.612 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65 | -34.3 | -178.8 | -67.4 | -64.1 | 0 | 0 | 0 | 112.3 | G20 H26 I27 E28 | G20-Y24 WeakPolarHBondContact O-CD2 3.4Å; G20-Y24 PolarHBondContact O-N 3.2Å; Y24-H26 VanDerWaalsContact C-N 3.35Å; Y24-H26 PolarHBondContact O-N 3.39Å; Y24-I27 PolarHBondContact O-N 2.89Å; Y24-E28 WeakPolarHBondContact O-CB 3.46Å; Y24-E28 WeakPolarHBondContact O-CG 3.41Å; Y24-E28 PolarHBondContact O-N 3.22Å |
| 25 | Y | 95.4 | Very high | 93.6 | Very high | 154 Ų | 154 | 94.2 Ų | 94.2 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 173.7 | -178.2 | -103.8 | 0 | 0 | 0 | 112.6 | A21 I23 H29 | A21-Y25 WeakPolarHBondContact O-CB 3.36Å; A21-Y25 PolarHBondContact O-N 2.82Å; I23-Y25 VanDerWaalsContact C-N 3.31Å; I23-Y25 PolarHBondContact O-N 3.13Å; Y25-H29 HydrophobicContact CD2-CB 4.06Å; Y25-H29 HydrophobicContact CE2-CB 4.02Å; Y25-H29 AromaticContact CE2-CD2 3.26Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.36Å; Y25-H29 AromaticContact CE2-CG 3.58Å; Y25-H29 AromaticContact CE2-NE2 3.72Å; Y25-H29 AromaticContact CZ-CD2 3.3Å; Y25-H29 AromaticContact CZ-NE2 3.77Å; Y25-H29 WeakPolarHBondContact O-CB 3.48Å; Y25-H29 PolarHBondContact OH-CD2 3.1Å; Y25-H29 PolarHBondContact OH-NE2 2.96Å |
| 26 | H | 93.8 | Very high | 93.1 | Very high | 162 Ų | 162 | 94.9 Ų | 94.9 | 75% | 0.75 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -75.5 | -31 | 177.6 | -164.6 | -58.4 | 0 | 0 | 0 | 112.8 | A22 I23 Y24 | A22-H26 PolarHBondContact O-N 2.84Å; A22-H26 VanDerWaalsContact O-N 3.08Å; I23-H26 PolarHBondContact O-N 3.49Å; I23-H26 VanDerWaalsContact O-N 3.14Å; Y24-H26 VanDerWaalsContact C-N 3.35Å; Y24-H26 PolarHBondContact O-N 3.39Å |
| 27 | I | 93.2 | Very high | 92.7 | Very high | 99 Ų | 99 | 89.7 Ų | 89.7 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -82.5 | -62.5 | -179 | -63.1 | 171.2 | 0 | 0 | 0 | 110.4 | I23 Y24 H29 | I23-I27 HydrophobicContact CG2-CD1 3.77Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 2.81Å; I23-I27 VanDerWaalsContact O-N 3.08Å; Y24-I27 PolarHBondContact O-N 2.89Å; I27-H29 PolarHBondContact O-N 3.48Å |
| 28 | E | 93.3 | Very high | 92.3 | Very high | 109 Ų | 109 | 90.9 Ų | 90.9 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.7 | -31.1 | -168.6 | -54.6 | -56.3 | 143.2 | 0 | 0 | 113.1 | Y24 G30 E31 E32 | Y24-E28 WeakPolarHBondContact O-CB 3.46Å; Y24-E28 WeakPolarHBondContact O-CG 3.41Å; Y24-E28 PolarHBondContact O-N 3.22Å; E28-G30 PolarHBondContact O-N 3.49Å; E28-E31 PolarHBondContact O-N 3.3Å; E28-E32 VanDerWaalsContact O-CB 3.22Å; E28-E32 WeakPolarHBondContact O-CB 3.15Å; E28-E32 PolarHBondContact O-N 3.06Å |
| 29 | H | 90.5 | Very high | 91.6 | Very high | 48 Ų | 48 | 89.6 Ų | 89.6 | 22% | 0.222 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -76.1 | -6.8 | -174.4 | -167 | 53.2 | 0 | 0 | 0 | 114.1 | Y25 I27 E32 K33 | Y25-H29 HydrophobicContact CD2-CB 4.06Å; Y25-H29 HydrophobicContact CE2-CB 4.02Å; Y25-H29 AromaticContact CE2-CD2 3.26Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.36Å; Y25-H29 AromaticContact CE2-CG 3.58Å; Y25-H29 AromaticContact CE2-NE2 3.72Å; Y25-H29 AromaticContact CZ-CD2 3.3Å; Y25-H29 AromaticContact CZ-NE2 3.77Å; Y25-H29 WeakPolarHBondContact O-CB 3.48Å; Y25-H29 PolarHBondContact OH-CD2 3.1Å; Y25-H29 PolarHBondContact OH-NE2 2.96Å; I27-H29 PolarHBondContact O-N 3.48Å; H29-E32 IonicContact CE1-OE2 2.67Å; H29-E32 IonicContact ND1-OE2 3.09Å; H29-E32 PolarHBondContact ND1-OE2 2.86Å; H29-K33 PolarHBondContact CD2-NZ 3.49Å; H29-K33 VanDerWaalsContact CE1-CE 3.47Å; H29-K33 WeakPolarHBondContact CE1-CE 3.16Å; H29-K33 WeakPolarHBondContact NE2-CE 3.18Å; H29-K33 PolarHBondContact NE2-NZ 3.22Å; H29-K33 VanDerWaalsContact O-CD 3.31Å; H29-K33 WeakPolarHBondContact O-CD 3.5Å; H29-K33 WeakPolarHBondContact O-CE 3.39Å; H29-K33 WeakPolarHBondContact O-CG 3.32Å |
| 30 | G | 90.2 | Very high | 90.6 | Very high | 33 Ų | 33 | 90.5 Ų | 90.5 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -76.3 | -63.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | E28 E32 K33 I34 | E28-G30 PolarHBondContact O-N 3.49Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 2.76Å; G30-K33 WeakPolarHBondContact O-CB 3.42Å; G30-K33 PolarHBondContact O-N 3.39Å; G30-I34 PolarHBondContact O-N 3.47Å |
| 31 | E | 90 | Very high | 90 | Very high | 124 Ų | 124 | 96.8 Ų | 96.8 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.2 | -37.5 | 179.4 | -60.2 | -51.4 | 129.7 | 0 | 0 | 112.7 | E28 K33 I34 S35 | E28-E31 PolarHBondContact O-N 3.3Å; E31-K33 VanDerWaalsContact C-N 3.25Å; E31-K33 PolarHBondContact O-N 3.18Å; E31-I34 PolarHBondContact O-N 2.78Å; E31-S35 WeakPolarHBondContact O-CB 3.12Å; E31-S35 PolarHBondContact O-N 2.76Å |
| 32 | E | 90.4 | Very high | 89.2 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 31% | 0.313 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55.6 | -39.8 | 174.1 | -179.3 | -174.1 | -145.6 | 0 | 0 | 111.9 | E28 H29 G30 R36 | E28-E32 VanDerWaalsContact O-CB 3.22Å; E28-E32 WeakPolarHBondContact O-CB 3.15Å; E28-E32 PolarHBondContact O-N 3.06Å; H29-E32 IonicContact CE1-OE2 2.67Å; H29-E32 IonicContact ND1-OE2 3.09Å; H29-E32 PolarHBondContact ND1-OE2 2.86Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 2.76Å; E32-R36 HydrophobicContact CG-CG 4.3Å; E32-R36 VanDerWaalsContact CG-NE 3.33Å; E32-R36 WeakPolarHBondContact O-CB 3.46Å; E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 3.5Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 VanDerWaalsContact OE1-CZ 3.22Å; E32-R36 IonicContact OE1-NE 3.36Å; E32-R36 PolarHBondContact OE1-NE 3.28Å; E32-R36 VanDerWaalsContact OE1-NE 3.09Å; E32-R36 IonicContact OE1-NH2 3.13Å; E32-R36 PolarHBondContact OE1-NH2 3.17Å |
| 33 | K | 89.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 100 Ų | 100 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.5 | -40.8 | 179.5 | -72.3 | 168.5 | -174.5 | 149.4 | 0 | 111.6 | H29 G30 E31 A37 | H29-K33 PolarHBondContact CD2-NZ 3.49Å; H29-K33 VanDerWaalsContact CE1-CE 3.47Å; H29-K33 WeakPolarHBondContact CE1-CE 3.16Å; H29-K33 WeakPolarHBondContact NE2-CE 3.18Å; H29-K33 PolarHBondContact NE2-NZ 3.22Å; H29-K33 VanDerWaalsContact O-CD 3.31Å; H29-K33 WeakPolarHBondContact O-CD 3.5Å; H29-K33 WeakPolarHBondContact O-CE 3.39Å; H29-K33 WeakPolarHBondContact O-CG 3.32Å; G30-K33 WeakPolarHBondContact O-CB 3.42Å; G30-K33 PolarHBondContact O-N 3.39Å; E31-K33 VanDerWaalsContact C-N 3.25Å; E31-K33 PolarHBondContact O-N 3.18Å; K33-A37 WeakPolarHBondContact O-CB 3.34Å; K33-A37 PolarHBondContact O-N 3.45Å |
| 34 | I | 91.8 | Very high | 87.2 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -56.8 | 178.6 | -61.7 | 171.2 | 0 | 0 | 0 | 108.7 | G30 E31 R36 A37 E38 | G30-I34 PolarHBondContact O-N 3.47Å; E31-I34 PolarHBondContact O-N 2.78Å; I34-R36 PolarHBondContact O-N 2.77Å; I34-A37 CarbonylContact O-C 3.5Å; I34-A37 WeakPolarHBondContact O-CA 3.48Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 3.49Å; I34-E38 WeakPolarHBondContact O-CG 3.15Å; I34-E38 PolarHBondContact O-N 2.76Å |
| 35 | S | 88.6 | Confident | 86.7 | Confident | 50 Ų | 50 | 96.3 Ų | 96.3 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | -179.3 | -167.5 | 0 | 0 | 0 | 0 | 112.8 | E31 A37 E38 Q39 | E31-S35 WeakPolarHBondContact O-CB 3.12Å; E31-S35 PolarHBondContact O-N 2.76Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 2.92Å; S35-E38 PolarHBondContact O-N 3.18Å; S35-Q39 VanDerWaalsContact O-CB 3.32Å; S35-Q39 WeakPolarHBondContact O-CB 3.46Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 PolarHBondContact OG-NE2 2.72Å; S35-Q39 VanDerWaalsContact OG-NE2 3.15Å |
| 36 | R | 84.6 | Confident | 85.7 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 29% | 0.291 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.5 | -29.7 | 173.8 | -72.3 | 176 | -178.5 | -126.7 | 14.6 | 113.2 | E32 I34 R40 I974 | E32-R36 HydrophobicContact CG-CG 4.3Å; E32-R36 VanDerWaalsContact CG-NE 3.33Å; E32-R36 WeakPolarHBondContact O-CB 3.46Å; E32-R36 WeakPolarHBondContact O-CG 3.47Å; E32-R36 PolarHBondContact O-N 3.5Å; E32-R36 IonicContact OE1-CZ 3.87Å; E32-R36 VanDerWaalsContact OE1-CZ 3.22Å; E32-R36 IonicContact OE1-NE 3.36Å; E32-R36 PolarHBondContact OE1-NE 3.28Å; E32-R36 VanDerWaalsContact OE1-NE 3.09Å; E32-R36 IonicContact OE1-NH2 3.13Å; E32-R36 PolarHBondContact OE1-NH2 3.17Å; I34-R36 PolarHBondContact O-N 2.77Å; R36-R40 VanDerWaalsContact O-CB 3.29Å; R36-R40 WeakPolarHBondContact O-CB 3.05Å; R36-R40 PolarHBondContact O-N 2.79Å; R36-R40 VanDerWaalsContact O-N 3.09Å; R36-I974 PolarHBondContact NH1-O 2.83Å; R36-I974 PolarHBondContact NH2-O 3.38Å |
| 37 | A | 88 | Confident | 84.8 | Confident | 44 Ų | 44 | 90.5 Ų | 90.5 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.8 | -39.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K33 I34 S35 R40 K41 | K33-A37 WeakPolarHBondContact O-CB 3.34Å; K33-A37 PolarHBondContact O-N 3.45Å; I34-A37 CarbonylContact O-C 3.5Å; I34-A37 WeakPolarHBondContact O-CA 3.48Å; I34-A37 WeakPolarHBondContact O-CB 3.38Å; I34-A37 PolarHBondContact O-N 3.49Å; S35-A37 VanDerWaalsContact C-N 3.34Å; S35-A37 PolarHBondContact O-N 2.92Å; A37-R40 PolarHBondContact O-N 3.43Å; A37-K41 WeakPolarHBondContact O-CB 3.32Å; A37-K41 VanDerWaalsContact O-CG 3.3Å; A37-K41 WeakPolarHBondContact O-CG 3.34Å; A37-K41 PolarHBondContact O-N 3.36Å |
| 38 | E | 88.7 | Confident | 84.1 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67 | -48.1 | 174.5 | -70.4 | 172.1 | 167 | 0 | 0 | 112 | I34 S35 R40 K41 A42 | I34-E38 WeakPolarHBondContact O-CG 3.15Å; I34-E38 PolarHBondContact O-N 2.76Å; S35-E38 PolarHBondContact O-N 3.18Å; E38-R40 VanDerWaalsContact C-N 3.27Å; E38-R40 PolarHBondContact O-N 2.95Å; E38-K41 WeakPolarHBondContact O-CB 3.34Å; E38-K41 PolarHBondContact O-N 3.41Å; E38-K41 VanDerWaalsContact O-N 3.12Å; E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 3.24Å |
| 39 | Q | 80.5 | Confident | 83.1 | Confident | 102 Ų | 102 | 92.8 Ų | 92.8 | 48% | 0.477 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.6 | -41.1 | 173.1 | -72.4 | 169.3 | 23.7 | 0 | 0 | 111.5 | S35 A42 Q43 | S35-Q39 VanDerWaalsContact O-CB 3.32Å; S35-Q39 WeakPolarHBondContact O-CB 3.46Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 PolarHBondContact OG-NE2 2.72Å; S35-Q39 VanDerWaalsContact OG-NE2 3.15Å; Q39-A42 PolarHBondContact O-N 2.84Å; Q39-Q43 WeakPolarHBondContact O-CB 3.34Å; Q39-Q43 VanDerWaalsContact O-CG 3.25Å; Q39-Q43 WeakPolarHBondContact O-CG 3.32Å; Q39-Q43 PolarHBondContact O-N 2.93Å |
| 40 | R | 76 | Confident | 82.1 | Confident | 159 Ų | 159 | 92.3 Ų | 92.3 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 175.1 | -171.5 | -174.4 | -59.6 | 159 | 4 | 112.2 | R36 A37 E38 Q43 I44 | R36-R40 VanDerWaalsContact O-CB 3.29Å; R36-R40 WeakPolarHBondContact O-CB 3.05Å; R36-R40 PolarHBondContact O-N 2.79Å; R36-R40 VanDerWaalsContact O-N 3.09Å; A37-R40 PolarHBondContact O-N 3.43Å; E38-R40 VanDerWaalsContact C-N 3.27Å; E38-R40 PolarHBondContact O-N 2.95Å; R40-Q43 PolarHBondContact O-N 2.68Å; R40-I44 HydrophobicContact CG-CD1 3.89Å; R40-I44 HydrophobicContact CG-CG1 4.43Å; R40-I44 WeakPolarHBondContact O-CB 3.42Å; R40-I44 VanDerWaalsContact O-CG1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.46Å; R40-I44 PolarHBondContact O-N 3.15Å |
| 41 | K | 83.9 | Confident | 81.2 | Confident | 151 Ų | 151 | 96.2 Ų | 96.2 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 174.6 | -77.3 | 172.3 | 178.1 | -178.2 | 0 | 111 | A37 E38 I44 A45 | A37-K41 WeakPolarHBondContact O-CB 3.32Å; A37-K41 VanDerWaalsContact O-CG 3.3Å; A37-K41 WeakPolarHBondContact O-CG 3.34Å; A37-K41 PolarHBondContact O-N 3.36Å; E38-K41 WeakPolarHBondContact O-CB 3.34Å; E38-K41 PolarHBondContact O-N 3.41Å; E38-K41 VanDerWaalsContact O-N 3.12Å; K41-I44 PolarHBondContact O-N 3.31Å; K41-A45 WeakPolarHBondContact O-CB 3.39Å; K41-A45 PolarHBondContact O-N 2.87Å |
| 42 | A | 78.5 | Confident | 80.6 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E38 Q39 I44 A45 I46 | E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 3.24Å; Q39-A42 PolarHBondContact O-N 2.84Å; A42-I44 PolarHBondContact O-N 2.76Å; A42-A45 PolarHBondContact O-N 3.27Å; A42-I46 WeakPolarHBondContact O-CB 3.47Å; A42-I46 WeakPolarHBondContact O-CD1 3.44Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.46Å |
| 43 | Q | 75 | Confident | 79.7 | Confident | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 174.7 | -76.9 | 172 | -6.3 | 0 | 0 | 112.7 | Q39 R40 N47 | Q39-Q43 WeakPolarHBondContact O-CB 3.34Å; Q39-Q43 VanDerWaalsContact O-CG 3.25Å; Q39-Q43 WeakPolarHBondContact O-CG 3.32Å; Q39-Q43 PolarHBondContact O-N 2.93Å; R40-Q43 PolarHBondContact O-N 2.68Å; Q43-N47 WeakPolarHBondContact O-CB 3.48Å; Q43-N47 PolarHBondContact O-N 3.05Å |
| 44 | I | 76.1 | Confident | 78.6 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -50.1 | 175.9 | -69.5 | 167.7 | 0 | 0 | 0 | 110 | R40 K41 A42 I46 N47 E48 | R40-I44 HydrophobicContact CG-CD1 3.89Å; R40-I44 HydrophobicContact CG-CG1 4.43Å; R40-I44 WeakPolarHBondContact O-CB 3.42Å; R40-I44 VanDerWaalsContact O-CG1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.46Å; R40-I44 PolarHBondContact O-N 3.15Å; K41-I44 PolarHBondContact O-N 3.31Å; A42-I44 PolarHBondContact O-N 2.76Å; I44-I46 VanDerWaalsContact C-N 3.35Å; I44-I46 PolarHBondContact O-N 2.8Å; I44-N47 CarbonylContact O-C 3.47Å; I44-N47 PolarHBondContact O-N 3.27Å; I44-N47 VanDerWaalsContact O-N 3.1Å; I44-E48 VanDerWaalsContact O-CB 3.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 PolarHBondContact O-N 2.77Å |
| 45 | A | 81.9 | Confident | 77.4 | Confident | 55 Ų | 55 | 92.1 Ų | 92.1 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K41 A42 Y49 | K41-A45 WeakPolarHBondContact O-CB 3.39Å; K41-A45 PolarHBondContact O-N 2.87Å; A42-A45 PolarHBondContact O-N 3.27Å; A45-Y49 WeakPolarHBondContact O-CB 3.27Å; A45-Y49 PolarHBondContact O-N 3.1Å |
| 46 | I | 75 | Confident | 76.4 | Confident | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 173.3 | -69.6 | 164.5 | 0 | 0 | 0 | 110.4 | A42 I44 L50 | A42-I46 WeakPolarHBondContact O-CB 3.47Å; A42-I46 WeakPolarHBondContact O-CD1 3.44Å; A42-I46 WeakPolarHBondContact O-CG1 3.32Å; A42-I46 PolarHBondContact O-N 3.46Å; I44-I46 VanDerWaalsContact C-N 3.35Å; I44-I46 PolarHBondContact O-N 2.8Å; I46-L50 HydrophobicContact CG2-CD1 3.96Å; I46-L50 HydrophobicContact CG2-CG 4.48Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 WeakPolarHBondContact O-CG 3.35Å; I46-L50 PolarHBondContact O-N 3.22Å |
| 47 | N | 74.2 | Confident | 75.5 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -32.6 | 179.5 | -175.7 | 88.8 | 0 | 0 | 0 | 112.9 | Q43 I44 L51 | Q43-N47 WeakPolarHBondContact O-CB 3.48Å; Q43-N47 PolarHBondContact O-N 3.05Å; I44-N47 CarbonylContact O-C 3.47Å; I44-N47 PolarHBondContact O-N 3.27Å; I44-N47 VanDerWaalsContact O-N 3.1Å; N47-L51 WeakPolarHBondContact ND2-CD1 3.28Å; N47-L51 WeakPolarHBondContact O-CB 3.29Å; N47-L51 WeakPolarHBondContact O-CG 3.4Å; N47-L51 PolarHBondContact O-N 3.05Å |
| 48 | E | 78.2 | Confident | 74.6 | Confident | 123 Ų | 123 | 100.9 Ų | 100.9 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.6 | -48.8 | 176.2 | -173.9 | 166.2 | -154 | 0 | 0 | 110.6 | I44 L50 L51 E52 | I44-E48 VanDerWaalsContact O-CB 3.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 PolarHBondContact O-N 2.77Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.85Å; E48-L51 PolarHBondContact O-N 3.1Å; E48-L51 VanDerWaalsContact O-N 3.09Å; E48-E52 WeakPolarHBondContact O-CB 3.29Å; E48-E52 PolarHBondContact O-N 2.98Å |
| 49 | Y | 72.8 | Confident | 73.6 | Confident | 134 Ų | 134 | 99.6 Ų | 99.6 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.7 | -41.1 | 171.4 | 180 | -99.1 | 0 | 0 | 0 | 112.2 | A45 E53 | A45-Y49 WeakPolarHBondContact O-CB 3.27Å; A45-Y49 PolarHBondContact O-N 3.1Å; Y49-E53 WeakPolarHBondContact O-CB 3.48Å; Y49-E53 PolarHBondContact O-N 3.15Å |
| 50 | L | 70.3 | Confident | 73.1 | Confident | 37 Ų | 37 | 98.9 Ų | 98.9 | 19% | 0.194 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 173.7 | -74.2 | 173.7 | 0 | 0 | 0 | 112.2 | I46 E48 L54 L66 | I46-L50 HydrophobicContact CG2-CD1 3.96Å; I46-L50 HydrophobicContact CG2-CG 4.48Å; I46-L50 VanDerWaalsContact O-CB 3.3Å; I46-L50 WeakPolarHBondContact O-CB 3.47Å; I46-L50 WeakPolarHBondContact O-CG 3.35Å; I46-L50 PolarHBondContact O-N 3.22Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.85Å; L50-L54 HydrophobicContact CD2-CD1 3.88Å; L50-L54 HydrophobicContact CD2-CD2 4.14Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CD1 3.28Å; L50-L54 PolarHBondContact O-N 3.38Å; L50-L66 HydrophobicContact CD1-CD2 4.45Å; L50-L66 HydrophobicContact CD2-CD2 3.63Å |
| 51 | L | 70.7 | Confident | 72.8 | Confident | 115 Ų | 115 | 93.7 Ų | 93.7 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 177.8 | -79 | 168.8 | 0 | 0 | 0 | 112.6 | N47 E48 G55 | N47-L51 WeakPolarHBondContact ND2-CD1 3.28Å; N47-L51 WeakPolarHBondContact O-CB 3.29Å; N47-L51 WeakPolarHBondContact O-CG 3.4Å; N47-L51 PolarHBondContact O-N 3.05Å; E48-L51 PolarHBondContact O-N 3.1Å; E48-L51 VanDerWaalsContact O-N 3.09Å; L51-G55 VanDerWaalsContact O-CA 3.27Å; L51-G55 WeakPolarHBondContact O-CA 3.2Å; L51-G55 PolarHBondContact O-N 3.26Å |
| 52 | E | 77.4 | Confident | 72.1 | Confident | 157 Ų | 157 | 89.3 Ų | 89.3 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.6 | -50.5 | 174.3 | -174.7 | 172.8 | -157.2 | 0 | 0 | 110.9 | E48 | E48-E52 WeakPolarHBondContact O-CB 3.29Å; E48-E52 PolarHBondContact O-N 2.98Å |
| 53 | E | 70.7 | Confident | 71.6 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -80.1 | -21 | -173 | -171.1 | 58.1 | -156.9 | 0 | 0 | 113.4 | Y49 K57 I65 | Y49-E53 WeakPolarHBondContact O-CB 3.48Å; Y49-E53 PolarHBondContact O-N 3.15Å; E53-K57 VanDerWaalsContact O-CD 3.23Å; E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 VanDerWaalsContact O-CE 3.26Å; E53-K57 WeakPolarHBondContact O-CE 3.37Å; E53-K57 PolarHBondContact O-NZ 3.23Å; E53-K57 IonicContact OE1-NZ 2.65Å; E53-K57 PolarHBondContact OE1-NZ 3.39Å; E53-K57 IonicContact OE2-NZ 3.3Å; E53-K57 PolarHBondContact OE2-NZ 3.34Å; E53-I65 HydrophobicContact CG-CD1 4.33Å |
| 54 | L | 67.8 | Low | 71.5 | Confident | 18 Ų | 18 | 89.6 Ų | 89.6 | 9% | 0.094 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -108.8 | -14.6 | 179 | -73.2 | 55.1 | 0 | 0 | 0 | 114 | L50 D56 K57 Q62 I65 L66 | L50-L54 HydrophobicContact CD2-CD1 3.88Å; L50-L54 HydrophobicContact CD2-CD2 4.14Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CD1 3.28Å; L50-L54 PolarHBondContact O-N 3.38Å; L54-D56 PolarHBondContact O-N 3.09Å; L54-K57 PolarHBondContact O-N 3.3Å; L54-Q62 HydrophobicContact CB-CG 3.86Å; L54-Q62 HydrophobicContact CD2-CB 3.77Å; L54-Q62 HydrophobicContact CD2-CG 4.01Å; L54-Q62 HydrophobicContact CG-CB 3.94Å; L54-Q62 HydrophobicContact CG-CG 3.81Å; L54-Q62 PolarHBondContact O-NE2 3.18Å; L54-I65 HydrophobicContact CD1-CD1 4.5Å; L54-I65 HydrophobicContact CD1-CG2 4.07Å; L54-L66 HydrophobicContact CD2-CD1 4Å; L54-L66 HydrophobicContact CD2-CG 4.3Å |
| 55 | G | 67.6 | Low | 71.4 | Confident | 57 Ų | 57 | 86.4 Ų | 86.4 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -40.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L51 | L51-G55 VanDerWaalsContact O-CA 3.27Å; L51-G55 WeakPolarHBondContact O-CA 3.2Å; L51-G55 PolarHBondContact O-N 3.26Å |
| 56 | D | 67.3 | Low | 70.7 | Confident | 174 Ų | 174 | 84.7 Ų | 84.7 | 93% | 0.93 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2.7 | 179.4 | -72.7 | -21.9 | 0 | 0 | 0 | 113.7 | L54 | L54-D56 PolarHBondContact O-N 3.09Š|
| 57 | K | 64.5 | Low | 70.4 | Confident | 69 Ų | 69 | 85.3 Ų | 85.3 | 30% | 0.3 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -111.3 | 139 | -166.3 | -62.3 | -175.5 | -169.7 | 143.4 | 0 | 113.4 | E53 L54 T61 Q62 I65 | E53-K57 VanDerWaalsContact O-CD 3.23Å; E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 VanDerWaalsContact O-CE 3.26Å; E53-K57 WeakPolarHBondContact O-CE 3.37Å; E53-K57 PolarHBondContact O-NZ 3.23Å; E53-K57 IonicContact OE1-NZ 2.65Å; E53-K57 PolarHBondContact OE1-NZ 3.39Å; E53-K57 IonicContact OE2-NZ 3.3Å; E53-K57 PolarHBondContact OE2-NZ 3.34Å; L54-K57 PolarHBondContact O-N 3.3Å; K57-T61 HydrophobicContact CB-CG2 4.46Å; K57-T61 HydrophobicContact CD-CG2 3.99Å; K57-Q62 PolarHBondContact O-NE2 2.98Å; K57-Q62 VanDerWaalsContact O-NE2 3.1Å; K57-I65 HydrophobicContact CD-CD1 3.98Å |
| 58 | N | 70.1 | Confident | 70.3 | Confident | 112 Ų | 112 | 88.6 Ų | 88.6 | 60% | 0.599 | 45% | 0.45 | S | S | * | . | trans | -58.8 | 148.6 | 175.3 | -170.5 | 29.3 | 0 | 0 | 0 | 111.5 | T60 T61 Q62 | N58-T60 PolarHBondContact ND2-OG1 3.02Å; N58-T60 PolarHBondContact O-N 3.36Å; N58-T60 VanDerWaalsContact O-N 3.08Å; N58-T61 WeakPolarHBondContact O-CB 3.47Å; N58-T61 PolarHBondContact O-N 3.32Å; N58-Q62 PolarHBondContact O-N 2.96Å | ||
| 59 | T | 67.8 | Low | 69.9 | Low | 86 Ų | 86 | 84.9 Ų | 84.9 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.8 | -36.3 | -171.8 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | T61 Q62 D63 | T59-T61 PolarHBondContact O-N 3.37Å; T59-Q62 WeakPolarHBondContact O-CA 3.43Å; T59-Q62 WeakPolarHBondContact O-CB 3.43Å; T59-Q62 PolarHBondContact O-N 3.02Å; T59-D63 PolarHBondContact O-N 3.19Å |
| 60 | T | 68.8 | Low | 69.5 | Low | 86 Ų | 86 | 79.4 Ų | 79.4 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.2 | -36.2 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | N58 E64 | N58-T60 PolarHBondContact ND2-OG1 3.02Å; N58-T60 PolarHBondContact O-N 3.36Å; N58-T60 VanDerWaalsContact O-N 3.08Å; T60-E64 PolarHBondContact O-N 3.48Å |
| 61 | T | 71 | Confident | 69.4 | Low | 51 Ų | 51 | 82.8 Ų | 82.8 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -83.7 | -27.4 | 179 | -50 | 0 | 0 | 0 | 0 | 111.2 | K57 N58 T59 I65 | K57-T61 HydrophobicContact CB-CG2 4.46Å; K57-T61 HydrophobicContact CD-CG2 3.99Å; N58-T61 WeakPolarHBondContact O-CB 3.47Å; N58-T61 PolarHBondContact O-N 3.32Å; T59-T61 PolarHBondContact O-N 3.37Å; T61-I65 HydrophobicContact CG2-CD1 4.07Å; T61-I65 WeakPolarHBondContact O-CB 3.38Å; T61-I65 WeakPolarHBondContact O-CD1 3.49Å; T61-I65 VanDerWaalsContact O-CG1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 3.46Å |
| 62 | Q | 68.4 | Low | 69.2 | Low | 58 Ų | 58 | 86.8 Ų | 86.8 | 27% | 0.271 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 169.6 | -54.6 | -173.1 | -16.1 | 0 | 0 | 110.3 | L54 K57 N58 T59 E64 I65 L66 | L54-Q62 HydrophobicContact CB-CG 3.86Å; L54-Q62 HydrophobicContact CD2-CB 3.77Å; L54-Q62 HydrophobicContact CD2-CG 4.01Å; L54-Q62 HydrophobicContact CG-CB 3.94Å; L54-Q62 HydrophobicContact CG-CG 3.81Å; L54-Q62 PolarHBondContact O-NE2 3.18Å; K57-Q62 PolarHBondContact O-NE2 2.98Å; K57-Q62 VanDerWaalsContact O-NE2 3.1Å; N58-Q62 PolarHBondContact O-N 2.96Å; T59-Q62 WeakPolarHBondContact O-CA 3.43Å; T59-Q62 WeakPolarHBondContact O-CB 3.43Å; T59-Q62 PolarHBondContact O-N 3.02Å; Q62-E64 PolarHBondContact O-N 3.06Å; Q62-I65 PolarHBondContact O-N 3.45Å; Q62-L66 WeakPolarHBondContact O-CB 3.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.22Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.3Å |
| 63 | D | 67.9 | Low | 68.5 | Low | 101 Ų | 101 | 82.2 Ų | 82.2 | 54% | 0.54 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.1 | -70.4 | -37.8 | 0 | 0 | 0 | 111.9 | T59 L66 Q67 | T59-D63 PolarHBondContact O-N 3.19Å; D63-L66 PolarHBondContact O-N 3.23Å; D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 PolarHBondContact O-N 2.98Å |
| 64 | E | 74 | Confident | 67.7 | Low | 87 Ų | 87 | 86.1 Ų | 86.1 | 41% | 0.407 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.4 | -166.4 | -168.1 | 166.9 | 0 | 0 | 112.8 | T60 Q62 Q67 R68 | T60-E64 PolarHBondContact O-N 3.48Å; Q62-E64 PolarHBondContact O-N 3.06Å; E64-Q67 PolarHBondContact O-N 3.18Å; E64-R68 WeakPolarHBondContact O-CG 3.46Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 3.64Å; E64-R68 VanDerWaalsContact OE1-CZ 3.3Å; E64-R68 IonicContact OE1-NE 3.18Å; E64-R68 PolarHBondContact OE1-NE 3.12Å; E64-R68 IonicContact OE1-NH2 3.89Å; E64-R68 PolarHBondContact OE1-NH2 3.14Å |
| 65 | I | 72.2 | Confident | 66.9 | Low | 27 Ų | 27 | 92.4 Ų | 92.4 | 14% | 0.138 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.2 | -70.8 | 166.4 | 0 | 0 | 0 | 110.2 | E53 L54 K57 T61 Q62 Q67 R68 I69 | E53-I65 HydrophobicContact CG-CD1 4.33Å; L54-I65 HydrophobicContact CD1-CD1 4.5Å; L54-I65 HydrophobicContact CD1-CG2 4.07Å; K57-I65 HydrophobicContact CD-CD1 3.98Å; T61-I65 HydrophobicContact CG2-CD1 4.07Å; T61-I65 WeakPolarHBondContact O-CB 3.38Å; T61-I65 WeakPolarHBondContact O-CD1 3.49Å; T61-I65 VanDerWaalsContact O-CG1 3.24Å; T61-I65 WeakPolarHBondContact O-CG1 3.34Å; T61-I65 PolarHBondContact O-N 3.46Å; Q62-I65 PolarHBondContact O-N 3.45Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.04Å; I65-R68 PolarHBondContact O-N 2.99Å; I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 VanDerWaalsContact O-CG1 3.28Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 3.15Å |
| 66 | L | 67.9 | Low | 66.2 | Low | 19 Ų | 19 | 93.3 Ų | 93.3 | 10% | 0.099 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.5 | -35.7 | 179 | -68.8 | 163.6 | 0 | 0 | 0 | 111.8 | L50 L54 Q62 D63 I69 S70 V77 T78 | L50-L66 HydrophobicContact CD1-CD2 4.45Å; L50-L66 HydrophobicContact CD2-CD2 3.63Å; L54-L66 HydrophobicContact CD2-CD1 4Å; L54-L66 HydrophobicContact CD2-CG 4.3Å; Q62-L66 WeakPolarHBondContact O-CB 3.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.22Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.3Å; D63-L66 PolarHBondContact O-N 3.23Å; L66-I69 PolarHBondContact O-N 2.84Å; L66-S70 PolarHBondContact O-N 2.98Å; L66-S70 PolarHBondContact O-OG 3Å; L66-V77 HydrophobicContact CD2-CG1 4.48Å; L66-T78 HydrophobicContact CB-CG2 3.89Å; L66-T78 HydrophobicContact CD1-CG2 3.65Å; L66-T78 HydrophobicContact CD2-CG2 4.15Å; L66-T78 HydrophobicContact CG-CG2 4.09Å |
| 67 | Q | 69.3 | Low | 65.6 | Low | 115 Ų | 115 | 88.6 Ų | 88.6 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65 | -48.8 | 171.7 | -175.2 | 176.6 | -10.3 | 0 | 0 | 111.8 | D63 E64 I65 I69 S70 D71 | D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 PolarHBondContact O-N 2.98Å; E64-Q67 PolarHBondContact O-N 3.18Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 3.04Å; Q67-I69 PolarHBondContact O-N 3.17Å; Q67-S70 WeakPolarHBondContact CA-OG 3.48Å; Q67-S70 PolarHBondContact O-N 2.76Å; Q67-S70 PolarHBondContact O-OG 2.85Å; Q67-D71 PolarHBondContact O-N 3.09Å |
| 68 | R | 71.5 | Confident | 64.8 | Low | 162 Ų | 162 | 88 Ų | 88 | 61% | 0.611 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.6 | -34.2 | 176.3 | -70 | 173.3 | -177.6 | -143 | 8 | 112.4 | E64 I65 Y72 | E64-R68 WeakPolarHBondContact O-CG 3.46Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 3.64Å; E64-R68 VanDerWaalsContact OE1-CZ 3.3Å; E64-R68 IonicContact OE1-NE 3.18Å; E64-R68 PolarHBondContact OE1-NE 3.12Å; E64-R68 IonicContact OE1-NH2 3.89Å; E64-R68 PolarHBondContact OE1-NH2 3.14Å; I65-R68 PolarHBondContact O-N 2.99Å; R68-Y72 WeakPolarHBondContact O-CB 3.32Å; R68-Y72 PolarHBondContact O-N 3.24Å; R68-Y72 VanDerWaalsContact O-N 3.09Å |
| 69 | I | 69.4 | Low | 63.6 | Low | 44 Ų | 44 | 90 Ų | 90 | 23% | 0.226 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.5 | -40 | 174.1 | -67.8 | 167.3 | 0 | 0 | 0 | 111 | I65 L66 Q67 D71 Y72 C73 V77 | I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 VanDerWaalsContact O-CG1 3.28Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 3.15Å; L66-I69 PolarHBondContact O-N 2.84Å; Q67-I69 PolarHBondContact O-N 3.17Å; I69-D71 VanDerWaalsContact C-N 3.33Å; I69-D71 PolarHBondContact O-N 3.05Å; I69-Y72 PolarHBondContact O-N 3.07Å; I69-C73 WeakPolarHBondContact O-CB 3.34Å; I69-C73 PolarHBondContact O-N 3.41Å; I69-V77 HydrophobicContact CG2-CG2 3.94Å |
| 70 | S | 65 | Low | 62.5 | Low | 19 Ų | 19 | 90.7 Ų | 90.7 | 13% | 0.133 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 174.4 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | L66 Q67 Y72 C73 D74 K75 | L66-S70 PolarHBondContact O-N 2.98Å; L66-S70 PolarHBondContact O-OG 3Å; Q67-S70 WeakPolarHBondContact CA-OG 3.48Å; Q67-S70 PolarHBondContact O-N 2.76Å; Q67-S70 PolarHBondContact O-OG 2.85Å; S70-Y72 VanDerWaalsContact C-N 3.31Å; S70-Y72 PolarHBondContact O-N 3.15Å; S70-C73 PolarHBondContact O-N 3.04Å; S70-D74 PolarHBondContact O-N 3.2Å; S70-K75 WeakPolarHBondContact CA-O 3.35Å; S70-K75 WeakPolarHBondContact CB-O 3.34Å; S70-K75 PolarHBondContact O-N 2.79Å |
| 71 | D | 68.5 | Low | 61.2 | Low | 109 Ų | 109 | 91.3 Ų | 91.3 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.1 | -31.5 | 177.6 | -62.1 | -12.5 | 0 | 0 | 0 | 111.5 | Q67 I69 | Q67-D71 PolarHBondContact O-N 3.09Å; I69-D71 VanDerWaalsContact C-N 3.33Å; I69-D71 PolarHBondContact O-N 3.05Å |
| 72 | Y | 66.4 | Low | 59.7 | Low | 199 Ų | 199 | 95.8 Ų | 95.8 | 78% | 0.78 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -81.6 | -28.5 | 176.6 | -176.3 | -103.1 | 0 | 0 | 0 | 114.1 | R68 I69 S70 | R68-Y72 WeakPolarHBondContact O-CB 3.32Å; R68-Y72 PolarHBondContact O-N 3.24Å; R68-Y72 VanDerWaalsContact O-N 3.09Å; I69-Y72 PolarHBondContact O-N 3.07Å; S70-Y72 VanDerWaalsContact C-N 3.31Å; S70-Y72 PolarHBondContact O-N 3.15Å |
| 73 | C | 62.2 | Low | 58.6 | Low | 60 Ų | 60 | 102.3 Ų | 102.3 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 5.5 | -176.3 | -74.1 | 0 | 0 | 0 | 0 | 114.9 | I69 S70 K75 | I69-C73 WeakPolarHBondContact O-CB 3.34Å; I69-C73 PolarHBondContact O-N 3.41Å; S70-C73 PolarHBondContact O-N 3.04Å; C73-K75 WeakPolarHBondContact O-CB 3.29Å; C73-K75 WeakPolarHBondContact O-CG 3.38Å; C73-K75 PolarHBondContact O-N 3.05Å |
| 74 | D | 54.4 | Low | 57.4 | Low | 155 Ų | 155 | 104.4 Ų | 104.4 | 83% | 0.829 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 20.1 | -170.6 | -69.4 | -46.5 | 0 | 0 | 0 | 113.7 | S70 | S70-D74 PolarHBondContact O-N 3.2Š|
| 75 | K | 51.5 | Low | 56.4 | Low | 150 Ų | 150 | 107.8 Ų | 107.8 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -150.5 | 123.2 | -166.2 | -71.5 | 172.7 | -171.4 | 160.2 | 0 | 110.8 | S70 C73 V77 | S70-K75 WeakPolarHBondContact CA-O 3.35Å; S70-K75 WeakPolarHBondContact CB-O 3.34Å; S70-K75 PolarHBondContact O-N 2.79Å; C73-K75 WeakPolarHBondContact O-CB 3.29Å; C73-K75 WeakPolarHBondContact O-CG 3.38Å; C73-K75 PolarHBondContact O-N 3.05Å; K75-V77 PolarHBondContact O-N 3.01Å; K75-V77 VanDerWaalsContact O-N 3.17Å |
| 76 | P | 51.2 | Low | 55.6 | Low | 76 Ų | 76 | 112.1 Ų | 112.1 | 49% | 0.494 | 58% | 0.584 | S | S | . | * | trans | -64.3 | 116.1 | 177.2 | 25.6 | -32.9 | 0 | 0 | 0 | 111.6 | ||||
| 77 | V | 55.7 | Low | 55.4 | Low | 75 Ų | 75 | 115.4 Ų | 115.4 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -84.3 | -29.7 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 111 | L66 I69 K75 | L66-V77 HydrophobicContact CD2-CG1 4.48Å; I69-V77 HydrophobicContact CG2-CG2 3.94Å; K75-V77 PolarHBondContact O-N 3.01Å; K75-V77 VanDerWaalsContact O-N 3.17Å |
| 78 | T | 47.2 | Very low | 55.5 | Low | 56 Ų | 56 | 119.1 Ų | 119.1 | 34% | 0.344 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -110.5 | -162.3 | 166.7 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | L66 | L66-T78 HydrophobicContact CB-CG2 3.89Å; L66-T78 HydrophobicContact CD1-CG2 3.65Å; L66-T78 HydrophobicContact CD2-CG2 4.15Å; L66-T78 HydrophobicContact CG-CG2 4.09Å |
| 79 | L | 45.9 | Very low | 55.8 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 82% | 0.817 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -53.4 | 140.1 | -169.4 | -77.7 | 71 | 0 | 0 | 0 | 111.6 | ||
| 80 | P | 44.8 | Very low | 56.5 | Low | 99 Ų | 99 | 119.1 Ų | 119.1 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 134.7 | -175 | 25.2 | -34.8 | 0 | 0 | 0 | 110.8 | T82 | P80-T82 PolarHBondContact O-N 3.08Š|
| 81 | P | 40.9 | Very low | 57.5 | Low | 99 Ų | 99 | 121 Ų | 121 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 137.1 | -175.8 | 24.9 | -34.5 | 0 | 0 | 0 | 111 | Y83 | P81-Y83 PolarHBondContact O-N 3.47Š|
| 82 | T | 39.2 | Very low | 58.5 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 89% | 0.89 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -78.1 | 55.1 | -177.8 | -45.5 | 0 | 0 | 0 | 0 | 111.5 | P80 | P80-T82 PolarHBondContact O-N 3.08Š|
| 83 | Y | 45.8 | Very low | 59.5 | Low | 196 Ų | 196 | 116.4 Ų | 116.4 | 77% | 0.769 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -155.8 | 88.8 | 174.3 | -140.2 | -103 | 0 | 0 | 0 | 114.5 | P81 D85 | P81-Y83 PolarHBondContact O-N 3.47Å; Y83-D85 PolarHBondContact O-N 3.24Å |
| 84 | D | 42.7 | Very low | 60.7 | Low | 145 Ų | 145 | 115.1 Ų | 115.1 | 78% | 0.775 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 46.7 | -5.1 | 141.4 | -73.3 | 0.6 | 0 | 0 | 0 | 125.5 | ||
| 85 | D | 53.2 | Low | 62.5 | Low | 157 Ų | 157 | 109.5 Ų | 109.5 | 84% | 0.84 | 58% | 0.576 | S | S | * | * | trans | -100.4 | 9.3 | -175.9 | -109.1 | -37.3 | 0 | 0 | 0 | 116.6 | Y83 P87 | Y83-D85 PolarHBondContact O-N 3.24Å; D85-P87 WeakPolarHBondContact O-CD 3.45Å | ||
| 86 | T | 55.7 | Low | 64.4 | Low | 119 Ų | 119 | 107 Ų | 107 | 73% | 0.73 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -74.9 | 121.7 | 171 | 59.4 | 0 | 0 | 0 | 0 | 111 | Y88 | T86-Y88 PolarHBondContact O-N 3.47Š|
| 87 | P | 63 | Low | 66.3 | Low | 88 Ų | 88 | 104.1 Ų | 104.1 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | trans | -65.4 | 131.4 | -175.7 | 24.9 | -33.8 | 0 | 0 | 0 | 112.3 | D85 T89 A229 | D85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-T89 PolarHBondContact O-N 3.07Å; P87-A229 HydrophobicContact CB-CB 4.31Å; P87-A229 HydrophobicContact CG-CB 4.48Å | ||
| 88 | Y | 71.1 | Confident | 68 | Low | 193 Ų | 193 | 102.3 Ų | 102.3 | 76% | 0.757 | 53% | 0.531 | S | S | * | . | trans | -57.2 | 107.7 | -179.2 | -71.5 | -83.7 | 0 | 0 | 0 | 112.4 | T86 W90 T91 | T86-Y88 PolarHBondContact O-N 3.47Å; Y88-W90 PolarHBondContact O-N 3.3Å; Y88-W90 VanDerWaalsContact O-N 3.11Å; Y88-T91 VanDerWaalsContact O-CG2 3.32Å; Y88-T91 WeakPolarHBondContact O-CG2 3.3Å; Y88-T91 PolarHBondContact O-N 3.08Å | ||
| 89 | T | 77.9 | Confident | 70.2 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.2 | 178.2 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | P87 H94 | P87-T89 PolarHBondContact O-N 3.07Å; T89-H94 VanDerWaalsContact O-CB 3.25Å; T89-H94 WeakPolarHBondContact O-CB 3.49Å; T89-H94 PolarHBondContact O-CD2 3.3Å; T89-H94 VanDerWaalsContact O-CD2 3.23Å |
| 90 | W | 85.1 | Confident | 72.4 | Confident | 114 Ų | 114 | 94.3 Ų | 94.3 | 43% | 0.432 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 52.9 | 177.5 | -70.4 | 96.1 | 0 | 0 | 0 | 112.8 | Y88 A95 F98 I111 | Y88-W90 PolarHBondContact O-N 3.3Å; Y88-W90 VanDerWaalsContact O-N 3.11Å; W90-A95 HydrophobicContact CE3-CB 4.19Å; W90-F98 AromaticContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD2 4.23Å; W90-F98 HydrophobicContact CH2-CE1 4.15Å; W90-F98 HydrophobicContact CH2-CE2 4.48Å; W90-F98 AromaticContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CZ 4.46Å; W90-F98 HydrophobicContact CZ3-CB 4.2Å; W90-F98 AromaticContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CE1 4.48Å; W90-F98 AromaticContact CZ3-CG 3.97Å; W90-F98 HydrophobicContact CZ3-CG 3.97Å; W90-I111 HydrophobicContact CD2-CG2 4.15Å; W90-I111 HydrophobicContact CE3-CG2 4.22Å; W90-I111 HydrophobicContact CH2-CG2 3.46Å; W90-I111 VanDerWaalsContact CH2-CG2 3.46Å; W90-I111 HydrophobicContact CZ2-CG2 3.34Å; W90-I111 HydrophobicContact CZ3-CG2 3.9Å |
| 91 | T | 85.8 | Confident | 74.6 | Confident | 59 Ų | 59 | 90.1 Ų | 90.1 | 36% | 0.362 | 46% | 0.462 | S | S | . | . | trans | -61.6 | 160.2 | 162.8 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | Y88 Y93 H94 A95 | Y88-T91 VanDerWaalsContact O-CG2 3.32Å; Y88-T91 WeakPolarHBondContact O-CG2 3.3Å; Y88-T91 PolarHBondContact O-N 3.08Å; T91-Y93 PolarHBondContact O-N 2.75Å; T91-H94 PolarHBondContact O-N 2.74Å; T91-H94 VanDerWaalsContact O-N 3.13Å; T91-H94 PolarHBondContact OG1-CD2 3.18Å; T91-H94 PolarHBondContact OG1-N 2.72Å; T91-H94 VanDerWaalsContact OG1-N 3.14Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.36Å | ||
| 92 | F | 88.4 | Confident | 77.1 | Confident | 178 Ų | 178 | 86.5 Ų | 86.5 | 78% | 0.781 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -55.7 | -38 | 174.5 | 179.7 | -97 | 0 | 0 | 0 | 112.4 | A95 F96 | F92-A95 PolarHBondContact O-N 3.09Å; F92-F96 WeakPolarHBondContact O-CB 3.21Å; F92-F96 PolarHBondContact O-N 2.97Å |
| 93 | Y | 88 | Confident | 79.7 | Confident | 33 Ų | 33 | 79.9 Ų | 79.9 | 13% | 0.129 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65 | -47.3 | 175.5 | -179.1 | -90.3 | 0 | 0 | 0 | 111.8 | T91 A95 F96 F97 F227 Q243 I247 | T91-Y93 PolarHBondContact O-N 2.75Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 3.48Å; Y93-F96 PolarHBondContact O-N 2.93Å; Y93-F97 HydrophobicContact CE1-CB 4.39Å; Y93-F97 WeakPolarHBondContact O-CB 3.49Å; Y93-F97 PolarHBondContact O-N 2.67Å; Y93-F227 HydrophobicContact CD1-CD2 4.39Å; Y93-F227 HydrophobicContact CD1-CE2 4.47Å; Y93-F227 HydrophobicContact CE1-CD1 4.22Å; Y93-F227 AromaticContact CE1-CD2 3.85Å; Y93-F227 HydrophobicContact CE1-CD2 3.85Å; Y93-F227 AromaticContact CE1-CE1 3.92Å; Y93-F227 HydrophobicContact CE1-CE1 3.92Å; Y93-F227 AromaticContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CG 4.2Å; Y93-F227 AromaticContact CE1-CZ 3.57Å; Y93-F227 HydrophobicContact CE1-CZ 3.57Å; Y93-F227 AromaticContact CZ-CZ 3.88Å; Y93-F227 WeakPolarHBondContact OH-CZ 3.38Å; Y93-Q243 HydrophobicContact CD2-CB 4.2Å; Y93-Q243 HydrophobicContact CD2-CG 4.17Å; Y93-Q243 HydrophobicContact CE1-CG 4.12Å; Y93-Q243 HydrophobicContact CE2-CB 3.54Å; Y93-Q243 HydrophobicContact CE2-CG 3.74Å; Y93-Q243 PolarHBondContact OH-O 3.25Å; Y93-I247 HydrophobicContact CE2-CD1 3.63Å |
| 94 | H | 87.4 | Confident | 81.9 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 176.1 | -68.5 | -49.8 | 0 | 0 | 0 | 112.4 | T89 T91 F97 F98 I111 F227 | T89-H94 VanDerWaalsContact O-CB 3.25Å; T89-H94 WeakPolarHBondContact O-CB 3.49Å; T89-H94 PolarHBondContact O-CD2 3.3Å; T89-H94 VanDerWaalsContact O-CD2 3.23Å; T91-H94 PolarHBondContact O-N 2.74Å; T91-H94 VanDerWaalsContact O-N 3.13Å; T91-H94 PolarHBondContact OG1-CD2 3.18Å; T91-H94 PolarHBondContact OG1-N 2.72Å; T91-H94 VanDerWaalsContact OG1-N 3.14Å; H94-F97 PolarHBondContact O-N 2.83Å; H94-F98 VanDerWaalsContact O-CB 3.23Å; H94-F98 WeakPolarHBondContact O-CB 3.49Å; H94-F98 PolarHBondContact O-N 3.38Å; H94-I111 HydrophobicContact CB-CD1 3.95Å; H94-F227 AromaticContact CE1-CD2 3.87Å |
| 95 | A | 91.7 | Very high | 84.3 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W90 T91 F92 Y93 A99 | W90-A95 HydrophobicContact CE3-CB 4.19Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.36Å; F92-A95 PolarHBondContact O-N 3.09Å; Y93-A95 VanDerWaalsContact C-N 3.33Å; Y93-A95 PolarHBondContact O-N 3.48Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 2.99Å |
| 96 | F | 92.1 | Very high | 86.2 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 173.3 | -179.5 | -87.6 | 0 | 0 | 0 | 111.6 | F92 Y93 F98 A99 F100 I247 | F92-F96 WeakPolarHBondContact O-CB 3.21Å; F92-F96 PolarHBondContact O-N 2.97Å; Y93-F96 PolarHBondContact O-N 2.93Å; F96-F98 VanDerWaalsContact C-N 3.35Å; F96-F98 PolarHBondContact O-N 2.65Å; F96-A99 PolarHBondContact O-N 3.41Å; F96-F100 VanDerWaalsContact O-CB 3.27Å; F96-F100 WeakPolarHBondContact O-CB 3.27Å; F96-F100 PolarHBondContact O-N 3.46Å; F96-I247 HydrophobicContact CD1-CD1 4.04Å; F96-I247 HydrophobicContact CE1-CD1 3.84Å; F96-I247 HydrophobicContact CE1-CG2 4.33Å |
| 97 | F | 90.4 | Very high | 87.8 | Confident | 14 Ų | 14 | 57 Ų | 57 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 178.4 | -169.9 | -104.3 | 0 | 0 | 0 | 112.2 | Y93 H94 T101 Y108 V224 P225 V246 | Y93-F97 HydrophobicContact CE1-CB 4.39Å; Y93-F97 WeakPolarHBondContact O-CB 3.49Å; Y93-F97 PolarHBondContact O-N 2.67Å; H94-F97 PolarHBondContact O-N 2.83Å; F97-T101 HydrophobicContact CD1-CG2 4.34Å; F97-T101 HydrophobicContact CE1-CG2 4.17Å; F97-T101 HydrophobicContact CZ-CG2 4.34Å; F97-T101 WeakPolarHBondContact O-CB 3.46Å; F97-T101 VanDerWaalsContact O-CG2 3.31Å; F97-T101 WeakPolarHBondContact O-CG2 3.43Å; F97-T101 PolarHBondContact O-N 3.14Å; F97-T101 PolarHBondContact O-OG1 3.49Å; F97-Y108 AromaticContact CE1-CD2 3.98Å; F97-Y108 HydrophobicContact CE1-CD2 3.98Å; F97-Y108 AromaticContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CZ-CD2 4.49Å; F97-Y108 AromaticContact CZ-CE2 3.7Å; F97-Y108 HydrophobicContact CZ-CE2 3.7Å; F97-V224 HydrophobicContact CE1-CG1 3.96Å; F97-P225 HydrophobicContact CZ-CG 4.48Å; F97-V246 HydrophobicContact CE2-CG1 4.17Å |
| 98 | F | 91.6 | Very high | 89.1 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 17% | 0.167 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -51.9 | 170.3 | 171.4 | -97.4 | 0 | 0 | 0 | 111.5 | W90 H94 F96 F100 T101 V102 I111 P113 M122 | W90-F98 AromaticContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD1 3.88Å; W90-F98 HydrophobicContact CH2-CD2 4.23Å; W90-F98 HydrophobicContact CH2-CE1 4.15Å; W90-F98 HydrophobicContact CH2-CE2 4.48Å; W90-F98 AromaticContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CG 3.94Å; W90-F98 HydrophobicContact CH2-CZ 4.46Å; W90-F98 HydrophobicContact CZ3-CB 4.2Å; W90-F98 AromaticContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CD1 3.84Å; W90-F98 HydrophobicContact CZ3-CE1 4.48Å; W90-F98 AromaticContact CZ3-CG 3.97Å; W90-F98 HydrophobicContact CZ3-CG 3.97Å; H94-F98 VanDerWaalsContact O-CB 3.23Å; H94-F98 WeakPolarHBondContact O-CB 3.49Å; H94-F98 PolarHBondContact O-N 3.38Å; F96-F98 VanDerWaalsContact C-N 3.35Å; F96-F98 PolarHBondContact O-N 2.65Å; F98-F100 VanDerWaalsContact C-N 3.26Å; F98-F100 PolarHBondContact O-N 3.07Å; F98-T101 WeakPolarHBondContact CA-OG1 3.33Å; F98-T101 PolarHBondContact O-N 3Å; F98-T101 PolarHBondContact O-OG1 2.95Å; F98-T101 VanDerWaalsContact O-OG1 3.07Å; F98-V102 HydrophobicContact CD2-CG2 4.4Å; F98-V102 HydrophobicContact CE1-CG2 4.05Å; F98-V102 HydrophobicContact CE2-CG2 3.9Å; F98-V102 HydrophobicContact CZ-CG2 3.68Å; F98-V102 WeakPolarHBondContact O-CG2 3.44Å; F98-V102 PolarHBondContact O-N 2.86Å; F98-I111 HydrophobicContact CD2-CG2 4.26Å; F98-I111 WeakPolarHBondContact CD2-O 3.36Å; F98-I111 WeakPolarHBondContact CE2-O 3.44Å; F98-P113 HydrophobicContact CZ-CG 4.31Å; F98-M122 HydrophobicContact CZ-CG 4.17Å |
| 99 | A | 93.3 | Very high | 90 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | A95 F96 C103 Y125 | A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 2.99Å; F96-A99 PolarHBondContact O-N 3.41Å; A99-C103 PolarHBondContact O-N 2.8Å; A99-C103 VanDerWaalsContact O-N 3.1Å; A99-C103 PolarHBondContact O-SG 3.28Å; A99-Y125 HydrophobicContact CB-CE1 3.83Å |
| 100 | F | 91.9 | Very high | 90.3 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 176.1 | -178 | -112.8 | 0 | 0 | 0 | 112.8 | F96 F98 V102 C103 S104 F250 I251 | F96-F100 VanDerWaalsContact O-CB 3.27Å; F96-F100 WeakPolarHBondContact O-CB 3.27Å; F96-F100 PolarHBondContact O-N 3.46Å; F98-F100 VanDerWaalsContact C-N 3.26Å; F98-F100 PolarHBondContact O-N 3.07Å; F100-V102 VanDerWaalsContact C-N 3.33Å; F100-V102 PolarHBondContact O-N 3.12Å; F100-C103 PolarHBondContact O-N 3.44Å; F100-C103 VanDerWaalsContact O-N 3.16Å; F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.05Å; F100-F250 HydrophobicContact CE1-CB 4.32Å; F100-F250 AromaticContact CE1-CD1 3.33Å; F100-F250 HydrophobicContact CE1-CD1 3.33Å; F100-F250 AromaticContact CE1-CE1 3.88Å; F100-F250 HydrophobicContact CE1-CE1 3.88Å; F100-F250 AromaticContact CE1-CG 3.94Å; F100-F250 HydrophobicContact CE1-CG 3.94Å; F100-F250 AromaticContact CZ-CD1 3.48Å; F100-F250 HydrophobicContact CZ-CD1 3.48Å; F100-F250 VanDerWaalsContact CZ-CD1 3.48Å; F100-F250 AromaticContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CG 4.43Å; F100-I251 HydrophobicContact CE1-CG1 4.49Å; F100-I251 HydrophobicContact CE2-CD1 4.23Å; F100-I251 HydrophobicContact CE2-CG1 3.88Å; F100-I251 HydrophobicContact CZ-CD1 4.18Å; F100-I251 HydrophobicContact CZ-CG1 3.48Å; F100-I251 VanDerWaalsContact CZ-CG1 3.48Å |
| 101 | T | 92.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70 | -25.6 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | F97 F98 S104 T105 V106 G107 Y108 | F97-T101 HydrophobicContact CD1-CG2 4.34Å; F97-T101 HydrophobicContact CE1-CG2 4.17Å; F97-T101 HydrophobicContact CZ-CG2 4.34Å; F97-T101 WeakPolarHBondContact O-CB 3.46Å; F97-T101 VanDerWaalsContact O-CG2 3.31Å; F97-T101 WeakPolarHBondContact O-CG2 3.43Å; F97-T101 PolarHBondContact O-N 3.14Å; F97-T101 PolarHBondContact O-OG1 3.49Å; F98-T101 WeakPolarHBondContact CA-OG1 3.33Å; F98-T101 PolarHBondContact O-N 3Å; F98-T101 PolarHBondContact O-OG1 2.95Å; F98-T101 VanDerWaalsContact O-OG1 3.07Å; T101-S104 WeakPolarHBondContact CA-OG 3.21Å; T101-T105 PolarHBondContact O-N 3.38Å; T101-V106 HydrophobicContact CG2-CB 4.45Å; T101-V106 PolarHBondContact O-N 3.03Å; T101-V106 VanDerWaalsContact O-N 3.1Å; T101-G107 PolarHBondContact O-N 3Å; T101-Y108 HydrophobicContact CG2-CD2 3.86Å; T101-Y108 HydrophobicContact CG2-CE2 3.71Å |
| 102 | V | 93.5 | Very high | 90.7 | Very high | 23 Ų | 23 | 43 Ų | 43 | 14% | 0.139 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.5 | -48.4 | 166 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | F98 F100 T105 M122 Y125 | F98-V102 HydrophobicContact CD2-CG2 4.4Å; F98-V102 HydrophobicContact CE1-CG2 4.05Å; F98-V102 HydrophobicContact CE2-CG2 3.9Å; F98-V102 HydrophobicContact CZ-CG2 3.68Å; F98-V102 WeakPolarHBondContact O-CG2 3.44Å; F98-V102 PolarHBondContact O-N 2.86Å; F100-V102 VanDerWaalsContact C-N 3.33Å; F100-V102 PolarHBondContact O-N 3.12Å; V102-T105 PolarHBondContact O-N 3.26Å; V102-M122 HydrophobicContact CG1-CG 4.41Å; V102-M122 HydrophobicContact CG2-CG 4.39Å; V102-Y125 HydrophobicContact CG1-CD1 4.35Å |
| 103 | C | 93.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.3 | -29.4 | -179.1 | -64.2 | 0 | 0 | 0 | 0 | 113.7 | A99 F100 T105 Y125 N133 | A99-C103 PolarHBondContact O-N 2.8Å; A99-C103 VanDerWaalsContact O-N 3.1Å; A99-C103 PolarHBondContact O-SG 3.28Å; F100-C103 PolarHBondContact O-N 3.44Å; F100-C103 VanDerWaalsContact O-N 3.16Å; C103-T105 VanDerWaalsContact C-N 3.3Å; C103-Y125 WeakPolarHBondContact SG-CE1 3.49Å; C103-Y125 PolarHBondContact SG-OH 2.92Å; C103-N133 HydrophobicContact CB-CB 4.38Å; C103-N133 WeakPolarHBondContact CB-ND2 3.47Å; C103-N133 WeakPolarHBondContact O-CB 3.38Å; C103-N133 PolarHBondContact O-ND2 3.46Å |
| 104 | S | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 1.1 | 174.7 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | F100 T101 V106 N133 | F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.05Å; T101-S104 WeakPolarHBondContact CA-OG 3.21Å; S104-V106 PolarHBondContact O-N 3.18Å; S104-V106 WeakPolarHBondContact OG-CG2 3.38Å; S104-N133 PolarHBondContact N-ND2 3.13Å |
| 105 | T | 93.5 | Very high | 91.3 | Very high | 83 Ų | 83 | 40.6 Ų | 40.6 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 20.4 | 179.2 | 59.5 | 0 | 0 | 0 | 0 | 115.7 | T101 V102 C103 I130 | T101-T105 PolarHBondContact O-N 3.38Å; V102-T105 PolarHBondContact O-N 3.26Å; C103-T105 VanDerWaalsContact C-N 3.3Å; T105-I130 HydrophobicContact CG2-CD1 3.73Å; T105-I130 HydrophobicContact CG2-CG1 3.79Å; T105-I130 HydrophobicContact CG2-CG2 4.12Å |
| 106 | V | 92.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | trans | -74.2 | -48.9 | 172.9 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | T101 S104 Y108 T217 F250 | T101-V106 HydrophobicContact CG2-CB 4.45Å; T101-V106 PolarHBondContact O-N 3.03Å; T101-V106 VanDerWaalsContact O-N 3.1Å; S104-V106 PolarHBondContact O-N 3.18Å; S104-V106 WeakPolarHBondContact OG-CG2 3.38Å; V106-Y108 HydrophobicContact CG1-CD1 3.84Å; V106-Y108 HydrophobicContact CG1-CD2 4.34Å; V106-Y108 HydrophobicContact CG1-CE1 3.58Å; V106-Y108 HydrophobicContact CG1-CE2 4.1Å; V106-Y108 HydrophobicContact CG1-CG 4.22Å; V106-Y108 PolarHBondContact O-N 2.84Å; V106-T217 HydrophobicContact CG2-CG2 3.92Å; V106-F250 HydrophobicContact CG2-CE1 4.41Å; V106-F250 HydrophobicContact CG2-CE2 3.6Å; V106-F250 HydrophobicContact CG2-CZ 3.31Å | ||
| 107 | G | 90.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | trans | 54.5 | 48 | 170 | 0 | 0 | 0 | 0 | 0 | 117.3 | T101 G109 | T101-G107 PolarHBondContact O-N 3Å; G107-G109 PolarHBondContact O-N 2.95Å | ||
| 108 | Y | 91 | Very high | 91.8 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | trans | -44.8 | -24.5 | -177.9 | -62.6 | -61.3 | 0 | 0 | 0 | 116.9 | F97 T101 V106 N110 Y210 T214 G219 G221 V224 | F97-Y108 AromaticContact CE1-CD2 3.98Å; F97-Y108 HydrophobicContact CE1-CD2 3.98Å; F97-Y108 AromaticContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CE1-CE2 3.63Å; F97-Y108 HydrophobicContact CZ-CD2 4.49Å; F97-Y108 AromaticContact CZ-CE2 3.7Å; F97-Y108 HydrophobicContact CZ-CE2 3.7Å; T101-Y108 HydrophobicContact CG2-CD2 3.86Å; T101-Y108 HydrophobicContact CG2-CE2 3.71Å; V106-Y108 HydrophobicContact CG1-CD1 3.84Å; V106-Y108 HydrophobicContact CG1-CD2 4.34Å; V106-Y108 HydrophobicContact CG1-CE1 3.58Å; V106-Y108 HydrophobicContact CG1-CE2 4.1Å; V106-Y108 HydrophobicContact CG1-CG 4.22Å; V106-Y108 PolarHBondContact O-N 2.84Å; Y108-N110 PolarHBondContact O-N 2.7Å; Y108-Y210 HydrophobicContact CE1-CE2 4.28Å; Y108-Y210 PolarHBondContact OH-OH 3.25Å; Y108-T214 WeakPolarHBondContact OH-CG2 3.22Å; Y108-T214 PolarHBondContact OH-OG1 2.81Å; Y108-G219 WeakPolarHBondContact CA-O 3.49Å; Y108-G221 WeakPolarHBondContact O-CA 3.34Å; Y108-V224 HydrophobicContact CD1-CG2 3.95Å; Y108-V224 HydrophobicContact CD2-CG1 4.23Å; Y108-V224 HydrophobicContact CD2-CG2 4.1Å; Y108-V224 HydrophobicContact CE1-CG2 4.42Å; Y108-V224 HydrophobicContact CE2-CG1 4.32Å; Y108-V224 HydrophobicContact CG-CG2 3.76Å | ||
| 109 | G | 88.5 | Confident | 91.9 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 54% | 0.536 | 30% | 0.3 | S | S | . | . | trans | 74.2 | -13.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G107 I111 | G107-G109 PolarHBondContact O-N 2.95Å; G109-I111 PolarHBondContact O-N 2.84Å | ||
| 110 | N | 85.5 | Confident | 92.1 | Very high | 92 Ų | 92 | 52 Ų | 52 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -55.6 | -33.7 | 173.6 | 72.2 | -37.1 | 0 | 0 | 0 | 112.8 | Y108 V224 | Y108-N110 PolarHBondContact O-N 2.7Å; N110-V224 HydrophobicContact CB-CG2 4.46Å |
| 111 | I | 87.7 | Confident | 92.3 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -121.4 | 128.5 | 171.7 | -62.1 | 177.5 | 0 | 0 | 0 | 108 | W90 H94 F98 G109 | W90-I111 HydrophobicContact CD2-CG2 4.15Å; W90-I111 HydrophobicContact CE3-CG2 4.22Å; W90-I111 HydrophobicContact CH2-CG2 3.46Å; W90-I111 VanDerWaalsContact CH2-CG2 3.46Å; W90-I111 HydrophobicContact CZ2-CG2 3.34Å; W90-I111 HydrophobicContact CZ3-CG2 3.9Å; H94-I111 HydrophobicContact CB-CD1 3.95Å; F98-I111 HydrophobicContact CD2-CG2 4.26Å; F98-I111 WeakPolarHBondContact CD2-O 3.36Å; F98-I111 WeakPolarHBondContact CE2-O 3.44Å; G109-I111 PolarHBondContact O-N 2.84Å |
| 112 | S | 90.1 | Very high | 92.4 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 46% | 0.462 | 35% | 0.347 | S | S | . | . | trans | -150.4 | 150.6 | 178.1 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | T114 | S112-T114 PolarHBondContact O-N 3.43Š| ||
| 113 | P | 91.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 62 Ų | 62 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | trans | -70.2 | 115.8 | -177.1 | 25.7 | -33.3 | 0 | 0 | 0 | 111.2 | F98 R119 M122 | F98-P113 HydrophobicContact CZ-CG 4.31Å; P113-R119 HydrophobicContact CB-CG 4.19Å; P113-R119 HydrophobicContact CG-CG 3.99Å; P113-R119 VanDerWaalsContact O-CG 3.31Å; P113-R119 WeakPolarHBondContact O-CG 3.19Å; P113-R119 PolarHBondContact O-NE 3.49Å; P113-M122 HydrophobicContact CG-CB 4.35Å; P113-M122 HydrophobicContact CG-CE 4.42Å | ||
| 114 | T | 90.8 | Very high | 92.5 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | trans | -75.5 | -37.6 | 174 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | S112 R119 | S112-T114 PolarHBondContact O-N 3.43Å; T114-R119 PolarHBondContact O-NE 2.86Å; T114-R119 PolarHBondContact O-NH2 3.39Å | ||
| 115 | T | 94.3 | Very high | 92.7 | Very high | 83 Ų | 83 | 69.7 Ų | 69.7 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -73.2 | 147.8 | -176.6 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | A117 G118 R119 | T115-A117 PolarHBondContact O-N 3.5Å; T115-G118 PolarHBondContact O-N 2.93Å; T115-G118 PolarHBondContact OG1-N 3.15Å; T115-G118 VanDerWaalsContact OG1-N 3.09Å; T115-R119 WeakPolarHBondContact O-CG 3.16Å; T115-R119 PolarHBondContact O-N 3.17Å; T115-R119 VanDerWaalsContact O-N 3.09Å |
| 116 | F | 94.9 | Very high | 92.8 | Very high | 157 Ų | 157 | 66.9 Ų | 66.9 | 69% | 0.689 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.1 | -46.4 | 175.3 | 177.5 | -99.6 | 0 | 0 | 0 | 111.8 | G118 R119 M120 | F116-G118 PolarHBondContact O-N 2.85Å; F116-R119 PolarHBondContact O-N 3.48Å; F116-M120 HydrophobicContact CD1-CG 4.24Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CE 4.07Å; F116-M120 HydrophobicContact CE2-CG 4.14Å; F116-M120 HydrophobicContact CE2-SD 4.14Å; F116-M120 HydrophobicContact CZ-CE 4.47Å; F116-M120 HydrophobicContact CZ-CG 3.72Å; F116-M120 HydrophobicContact CZ-SD 3.94Å; F116-M120 WeakPolarHBondContact O-CG 3.44Å; F116-M120 PolarHBondContact O-N 3.49Å |
| 117 | A | 95.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 71.5 Ų | 71.5 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T115 R119 M120 I121 | T115-A117 PolarHBondContact O-N 3.5Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.45Å; A117-M120 PolarHBondContact O-N 3.37Å; A117-I121 WeakPolarHBondContact O-CB 3.31Å; A117-I121 VanDerWaalsContact O-CG1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.04Å |
| 118 | G | 94 | Very high | 93.1 | Very high | 21 Ų | 21 | 75.1 Ų | 75.1 | 22% | 0.216 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.4 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T115 F116 M122 | T115-G118 PolarHBondContact O-N 2.93Å; T115-G118 PolarHBondContact OG1-N 3.15Å; T115-G118 VanDerWaalsContact OG1-N 3.09Å; F116-G118 PolarHBondContact O-N 2.85Å; G118-M122 WeakPolarHBondContact O-CB 3.33Å; G118-M122 PolarHBondContact O-N 3.15Å |
| 119 | R | 94.9 | Very high | 93.3 | Very high | 125 Ų | 125 | 75 Ų | 75 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 174.6 | -69 | 167.4 | -177.7 | 174.1 | 0.7 | 112.3 | P113 T114 T115 F116 A117 I123 | P113-R119 HydrophobicContact CB-CG 4.19Å; P113-R119 HydrophobicContact CG-CG 3.99Å; P113-R119 VanDerWaalsContact O-CG 3.31Å; P113-R119 WeakPolarHBondContact O-CG 3.19Å; P113-R119 PolarHBondContact O-NE 3.49Å; T114-R119 PolarHBondContact O-NE 2.86Å; T114-R119 PolarHBondContact O-NH2 3.39Å; T115-R119 WeakPolarHBondContact O-CG 3.16Å; T115-R119 PolarHBondContact O-N 3.17Å; T115-R119 VanDerWaalsContact O-N 3.09Å; F116-R119 PolarHBondContact O-N 3.48Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.45Å; R119-I123 WeakPolarHBondContact O-CG1 3.27Å; R119-I123 PolarHBondContact O-N 3.1Å |
| 120 | M | 96.5 | Very high | 93.6 | Very high | 89 Ų | 89 | 75.5 Ų | 75.5 | 44% | 0.438 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 178.3 | -64.3 | -57.4 | 98.8 | 0 | 0 | 111.8 | F116 A117 I123 A124 | F116-M120 HydrophobicContact CD1-CG 4.24Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CE 4.07Å; F116-M120 HydrophobicContact CE2-CG 4.14Å; F116-M120 HydrophobicContact CE2-SD 4.14Å; F116-M120 HydrophobicContact CZ-CE 4.47Å; F116-M120 HydrophobicContact CZ-CG 3.72Å; F116-M120 HydrophobicContact CZ-SD 3.94Å; F116-M120 WeakPolarHBondContact O-CG 3.44Å; F116-M120 PolarHBondContact O-N 3.49Å; A117-M120 PolarHBondContact O-N 3.37Å; M120-I123 HydrophobicContact CE-CD1 3.93Å; M120-I123 PolarHBondContact O-N 3.31Å; M120-A124 PolarHBondContact O-N 3.4Å; M120-A124 VanDerWaalsContact O-N 3.13Å |
| 121 | I | 95.7 | Very high | 94 | Very high | 118 Ų | 118 | 73.7 Ų | 73.7 | 61% | 0.605 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 176.7 | -67.4 | 166.5 | 0 | 0 | 0 | 110.6 | A117 I123 A124 Y125 | A117-I121 WeakPolarHBondContact O-CB 3.31Å; A117-I121 VanDerWaalsContact O-CG1 3.31Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.04Å; I121-I123 VanDerWaalsContact C-N 3.33Å; I121-I123 PolarHBondContact O-N 3.48Å; I121-A124 PolarHBondContact O-N 2.97Å; I121-Y125 WeakPolarHBondContact O-CB 3.31Å; I121-Y125 PolarHBondContact O-N 3.08Å |
| 122 | M | 94.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 29% | 0.286 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 176.7 | 175.8 | -83.6 | -67.3 | 0 | 0 | 112.4 | F98 V102 P113 G118 Y125 S126 | F98-M122 HydrophobicContact CZ-CG 4.17Å; V102-M122 HydrophobicContact CG1-CG 4.41Å; V102-M122 HydrophobicContact CG2-CG 4.39Å; P113-M122 HydrophobicContact CG-CB 4.35Å; P113-M122 HydrophobicContact CG-CE 4.42Å; G118-M122 WeakPolarHBondContact O-CB 3.33Å; G118-M122 PolarHBondContact O-N 3.15Å; M122-Y125 PolarHBondContact O-N 3.43Å; M122-S126 WeakPolarHBondContact O-CB 3.23Å; M122-S126 PolarHBondContact O-N 3.03Å; M122-S126 PolarHBondContact O-OG 3.47Å |
| 123 | I | 95.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 74.2 Ų | 74.2 | 45% | 0.451 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63 | -49.1 | 175.5 | -67.7 | 164 | 0 | 0 | 0 | 110.9 | R119 M120 I121 Y125 S126 V127 | R119-I123 WeakPolarHBondContact O-CG1 3.27Å; R119-I123 PolarHBondContact O-N 3.1Å; M120-I123 HydrophobicContact CE-CD1 3.93Å; M120-I123 PolarHBondContact O-N 3.31Å; I121-I123 VanDerWaalsContact C-N 3.33Å; I121-I123 PolarHBondContact O-N 3.48Å; I123-Y125 VanDerWaalsContact C-N 3.32Å; I123-Y125 PolarHBondContact O-N 3.17Å; I123-S126 PolarHBondContact O-N 3.07Å; I123-S126 PolarHBondContact O-OG 3.1Å; I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.4Å |
| 124 | A | 95.6 | Very high | 94.4 | Very high | 61 Ų | 61 | 74.5 Ų | 74.5 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | M120 I121 | M120-A124 PolarHBondContact O-N 3.4Å; M120-A124 VanDerWaalsContact O-N 3.13Å; I121-A124 PolarHBondContact O-N 2.97Å |
| 125 | Y | 95.7 | Very high | 94.6 | Very high | 107 Ų | 107 | 75.2 Ų | 75.2 | 42% | 0.42 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.5 | -179.9 | -112.4 | 0 | 0 | 0 | 112 | A99 V102 C103 I121 M122 I123 V127 I128 G129 | A99-Y125 HydrophobicContact CB-CE1 3.83Å; V102-Y125 HydrophobicContact CG1-CD1 4.35Å; C103-Y125 WeakPolarHBondContact SG-CE1 3.49Å; C103-Y125 PolarHBondContact SG-OH 2.92Å; I121-Y125 WeakPolarHBondContact O-CB 3.31Å; I121-Y125 PolarHBondContact O-N 3.08Å; M122-Y125 PolarHBondContact O-N 3.43Å; I123-Y125 VanDerWaalsContact C-N 3.32Å; I123-Y125 PolarHBondContact O-N 3.17Å; Y125-V127 VanDerWaalsContact C-N 3.3Å; Y125-V127 PolarHBondContact O-N 3.02Å; Y125-I128 PolarHBondContact O-N 2.98Å; Y125-G129 PolarHBondContact O-N 3.24Å |
| 126 | S | 94.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 75 Ų | 75 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.9 | -33.8 | -179.4 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | M122 I123 I128 I130 | M122-S126 WeakPolarHBondContact O-CB 3.23Å; M122-S126 PolarHBondContact O-N 3.03Å; M122-S126 PolarHBondContact O-OG 3.47Å; I123-S126 PolarHBondContact O-N 3.07Å; I123-S126 PolarHBondContact O-OG 3.1Å; S126-I128 VanDerWaalsContact C-N 3.25Å; S126-I128 PolarHBondContact O-N 2.91Å; S126-I130 WeakPolarHBondContact O-CB 3.17Å; S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.27Å; S126-I130 PolarHBondContact O-N 3.43Å |
| 127 | V | 95.1 | Very high | 94.4 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -32.6 | 179.1 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | I123 Y125 P131 | I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.4Å; Y125-V127 VanDerWaalsContact C-N 3.3Å; Y125-V127 PolarHBondContact O-N 3.02Å; V127-P131 VanDerWaalsContact O-CD 3.24Å; V127-P131 WeakPolarHBondContact O-CD 3.38Å; V127-P131 WeakPolarHBondContact O-CG 3.27Å |
| 128 | I | 94.9 | Very high | 94.1 | Very high | 121 Ų | 121 | 66.6 Ų | 66.6 | 62% | 0.621 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -93.5 | -42.4 | 177.8 | -57.6 | 175.5 | 0 | 0 | 0 | 110.7 | Y125 S126 P131 V132 | Y125-I128 PolarHBondContact O-N 2.98Å; S126-I128 VanDerWaalsContact C-N 3.25Å; S126-I128 PolarHBondContact O-N 2.91Å; I128-P131 WeakPolarHBondContact O-CD 3.37Å; I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CG2 3.34Å; I128-V132 PolarHBondContact O-N 3.34Å |
| 129 | G | 94.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 67.7 Ų | 67.7 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y125 V132 N133 | Y125-G129 PolarHBondContact O-N 3.24Å; G129-V132 PolarHBondContact O-N 3.15Å; G129-N133 WeakPolarHBondContact O-CB 3.49Å; G129-N133 PolarHBondContact O-N 3.45Å |
| 130 | I | 94 | Very high | 93.9 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 32% | 0.323 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -47.1 | -179 | -65 | 168.9 | 0 | 0 | 0 | 111.6 | T105 S126 V132 G134 | T105-I130 HydrophobicContact CG2-CD1 3.73Å; T105-I130 HydrophobicContact CG2-CG1 3.79Å; T105-I130 HydrophobicContact CG2-CG2 4.12Å; S126-I130 WeakPolarHBondContact O-CB 3.17Å; S126-I130 VanDerWaalsContact O-CG1 3.29Å; S126-I130 WeakPolarHBondContact O-CG1 3.27Å; S126-I130 PolarHBondContact O-N 3.43Å; I130-V132 PolarHBondContact O-N 3.36Å; I130-G134 PolarHBondContact O-N 3.01Å |
| 131 | P | 95.1 | Very high | 93.7 | Very high | 55 Ų | 55 | 59.1 Ų | 59.1 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 170.4 | -28.3 | 35.7 | 0 | 0 | 0 | 114.4 | V127 I128 G134 I135 | V127-P131 VanDerWaalsContact O-CD 3.24Å; V127-P131 WeakPolarHBondContact O-CD 3.38Å; V127-P131 WeakPolarHBondContact O-CG 3.27Å; I128-P131 WeakPolarHBondContact O-CD 3.37Å; P131-G134 PolarHBondContact O-N 3.43Å; P131-I135 WeakPolarHBondContact O-CG1 3.47Å; P131-I135 PolarHBondContact O-N 2.89Å |
| 132 | V | 94.3 | Very high | 93.4 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -47 | -179.7 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | I128 G129 I130 G134 I135 L136 | I128-V132 HydrophobicContact CG2-CG2 4.38Å; I128-V132 WeakPolarHBondContact O-CG2 3.34Å; I128-V132 PolarHBondContact O-N 3.34Å; G129-V132 PolarHBondContact O-N 3.15Å; I130-V132 PolarHBondContact O-N 3.36Å; V132-G134 VanDerWaalsContact C-N 3.34Å; V132-G134 PolarHBondContact O-N 2.89Å; V132-I135 PolarHBondContact O-N 2.87Å; V132-L136 PolarHBondContact O-N 3.17Å |
| 133 | N | 92.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 174.3 | -94.2 | 17.8 | 0 | 0 | 0 | 112 | C103 S104 G129 I135 L136 F137 | C103-N133 HydrophobicContact CB-CB 4.38Å; C103-N133 WeakPolarHBondContact CB-ND2 3.47Å; C103-N133 WeakPolarHBondContact O-CB 3.38Å; C103-N133 PolarHBondContact O-ND2 3.46Å; S104-N133 PolarHBondContact N-ND2 3.13Å; G129-N133 WeakPolarHBondContact O-CB 3.49Å; G129-N133 PolarHBondContact O-N 3.45Å; N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.42Å; N133-L136 WeakPolarHBondContact O-CB 3.38Å; N133-L136 PolarHBondContact O-N 3.47Å; N133-L136 VanDerWaalsContact O-N 3.15Å; N133-F137 HydrophobicContact CB-CD2 4.37Å; N133-F137 HydrophobicContact CB-CE2 3.66Å; N133-F137 HydrophobicContact CB-CZ 3.94Å; N133-F137 WeakPolarHBondContact O-CD2 3.3Å; N133-F137 WeakPolarHBondContact O-CG 3.42Å; N133-F137 PolarHBondContact O-N 2.86Å |
| 134 | G | 91.7 | Very high | 93 | Very high | 24 Ų | 24 | 58.8 Ų | 58.8 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I130 P131 V132 A138 | I130-G134 PolarHBondContact O-N 3.01Å; P131-G134 PolarHBondContact O-N 3.43Å; V132-G134 VanDerWaalsContact C-N 3.34Å; V132-G134 PolarHBondContact O-N 2.89Å; G134-A138 VanDerWaalsContact O-CB 3.3Å; G134-A138 WeakPolarHBondContact O-CB 3.3Å; G134-A138 PolarHBondContact O-N 3.07Å |
| 135 | I | 93.3 | Very high | 92.6 | Very high | 110 Ų | 110 | 56.5 Ų | 56.5 | 56% | 0.564 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.8 | -43.9 | 171.8 | -67.7 | 162.8 | 0 | 0 | 0 | 110.7 | P131 V132 N133 A138 G139 | P131-I135 WeakPolarHBondContact O-CG1 3.47Å; P131-I135 PolarHBondContact O-N 2.89Å; V132-I135 PolarHBondContact O-N 2.87Å; N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.42Å; I135-A138 PolarHBondContact O-N 2.87Å; I135-G139 PolarHBondContact O-N 3.43Å |
| 136 | L | 93 | Very high | 92.2 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 175.8 | 176.1 | 62.7 | 0 | 0 | 0 | 111.7 | V132 N133 A138 G139 L140 | V132-L136 PolarHBondContact O-N 3.17Å; N133-L136 WeakPolarHBondContact O-CB 3.38Å; N133-L136 PolarHBondContact O-N 3.47Å; N133-L136 VanDerWaalsContact O-N 3.15Å; L136-A138 PolarHBondContact O-N 2.96Å; L136-G139 PolarHBondContact O-N 2.99Å; L136-L140 HydrophobicContact CD1-CD1 4.04Å; L136-L140 HydrophobicContact CD1-CG 4.32Å; L136-L140 HydrophobicContact CG-CD1 4.01Å; L136-L140 WeakPolarHBondContact O-CG 3.35Å; L136-L140 PolarHBondContact O-N 3Å |
| 137 | F | 92.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.6 | -30.9 | -179.7 | -51.8 | -40.3 | 0 | 0 | 0 | 112.6 | N133 L140 G141 L254 V258 | N133-F137 HydrophobicContact CB-CD2 4.37Å; N133-F137 HydrophobicContact CB-CE2 3.66Å; N133-F137 HydrophobicContact CB-CZ 3.94Å; N133-F137 WeakPolarHBondContact O-CD2 3.3Å; N133-F137 WeakPolarHBondContact O-CG 3.42Å; N133-F137 PolarHBondContact O-N 2.86Å; F137-L140 HydrophobicContact CD1-CD1 4.4Å; F137-G141 PolarHBondContact O-N 3.31Å; F137-L254 HydrophobicContact CD1-CB 4.3Å; F137-L254 HydrophobicContact CD1-CD2 4.36Å; F137-L254 HydrophobicContact CD1-CG 4.12Å; F137-L254 HydrophobicContact CD2-CD2 3.78Å; F137-L254 HydrophobicContact CD2-CG 3.89Å; F137-L254 HydrophobicContact CE1-CB 4.31Å; F137-L254 HydrophobicContact CE1-CD2 4Å; F137-L254 HydrophobicContact CE1-CG 4.21Å; F137-L254 HydrophobicContact CE2-CD2 3.34Å; F137-L254 HydrophobicContact CE2-CG 3.97Å; F137-L254 HydrophobicContact CG-CD2 4.29Å; F137-L254 HydrophobicContact CG-CG 4Å; F137-L254 HydrophobicContact CZ-CD2 3.5Å; F137-L254 VanDerWaalsContact CZ-CD2 3.5Å; F137-L254 HydrophobicContact CZ-CG 4.16Å; F137-V258 HydrophobicContact CB-CG2 3.92Å |
| 138 | A | 90.1 | Very high | 91.4 | Very high | 25 Ų | 25 | 57 Ų | 57 | 21% | 0.207 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | G134 I135 L136 G141 E142 P798 | G134-A138 VanDerWaalsContact O-CB 3.3Å; G134-A138 WeakPolarHBondContact O-CB 3.3Å; G134-A138 PolarHBondContact O-N 3.07Å; I135-A138 PolarHBondContact O-N 2.87Å; L136-A138 PolarHBondContact O-N 2.96Å; A138-G141 PolarHBondContact O-N 3.09Å; A138-E142 PolarHBondContact O-N 2.97Å; A138-P798 HydrophobicContact CB-CB 4.32Å |
| 139 | G | 92.9 | Very high | 90.8 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I135 L136 E142 Y143 | I135-G139 PolarHBondContact O-N 3.43Å; L136-G139 PolarHBondContact O-N 2.99Å; G139-E142 PolarHBondContact O-N 3.25Å; G139-Y143 WeakPolarHBondContact O-CB 3.14Å; G139-Y143 PolarHBondContact O-N 3.17Å |
| 140 | L | 92.6 | Very high | 90.4 | Very high | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 174.3 | -71.6 | 168.7 | 0 | 0 | 0 | 111.9 | L136 F137 E142 Y143 F144 I251 | L136-L140 HydrophobicContact CD1-CD1 4.04Å; L136-L140 HydrophobicContact CD1-CG 4.32Å; L136-L140 HydrophobicContact CG-CD1 4.01Å; L136-L140 WeakPolarHBondContact O-CG 3.35Å; L136-L140 PolarHBondContact O-N 3Å; F137-L140 HydrophobicContact CD1-CD1 4.4Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.26Å; L140-Y143 WeakPolarHBondContact O-CB 3.26Å; L140-Y143 PolarHBondContact O-N 2.96Å; L140-Y143 VanDerWaalsContact O-N 3.13Å; L140-F144 HydrophobicContact CB-CD2 4.47Å; L140-F144 HydrophobicContact CB-CE2 4.05Å; L140-F144 WeakPolarHBondContact O-CD2 3.49Å; L140-F144 WeakPolarHBondContact O-CG 3.24Å; L140-F144 PolarHBondContact O-N 3.47Å; L140-I251 HydrophobicContact CD1-CG2 3.57Å |
| 141 | G | 90.7 | Very high | 90 | Very high | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F137 A138 G145 G255 | F137-G141 PolarHBondContact O-N 3.31Å; A138-G141 PolarHBondContact O-N 3.09Å; G141-G145 PolarHBondContact O-N 3.41Å; G141-G255 WeakPolarHBondContact CA-O 3.44Å |
| 142 | E | 89.9 | Confident | 89.3 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 169.8 | -80.9 | -154 | -142.1 | 0 | 0 | 113 | A138 G139 L140 G145 R146 | A138-E142 PolarHBondContact O-N 2.97Å; G139-E142 PolarHBondContact O-N 3.25Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.26Å; E142-G145 PolarHBondContact O-N 3.37Å; E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 WeakPolarHBondContact O-CG 3.41Å; E142-R146 PolarHBondContact O-N 3.38Å; E142-R146 IonicContact OE2-CZ 3.49Å; E142-R146 IonicContact OE2-NE 2.62Å; E142-R146 PolarHBondContact OE2-NE 3.22Å; E142-R146 IonicContact OE2-NH2 2.72Å; E142-R146 PolarHBondContact OE2-NH2 3Å |
| 143 | Y | 91.7 | Very high | 88.7 | Confident | 140 Ų | 140 | 62 Ų | 62 | 55% | 0.549 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 176.6 | 174.9 | -95.2 | 0 | 0 | 0 | 111.6 | G139 L140 R146 T147 | G139-Y143 WeakPolarHBondContact O-CB 3.14Å; G139-Y143 PolarHBondContact O-N 3.17Å; L140-Y143 WeakPolarHBondContact O-CB 3.26Å; L140-Y143 PolarHBondContact O-N 2.96Å; L140-Y143 VanDerWaalsContact O-N 3.13Å; Y143-R146 PolarHBondContact O-N 3.5Å; Y143-T147 VanDerWaalsContact O-CB 3.24Å; Y143-T147 WeakPolarHBondContact O-CB 3.25Å; Y143-T147 PolarHBondContact O-N 3.37Å; Y143-T147 PolarHBondContact O-OG1 3.06Å |
| 144 | F | 90.4 | Very high | 88.3 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 174.9 | -62.1 | -47.7 | 0 | 0 | 0 | 111.9 | L140 T147 F148 F252 M259 | L140-F144 HydrophobicContact CB-CD2 4.47Å; L140-F144 HydrophobicContact CB-CE2 4.05Å; L140-F144 WeakPolarHBondContact O-CD2 3.49Å; L140-F144 WeakPolarHBondContact O-CG 3.24Å; L140-F144 PolarHBondContact O-N 3.47Å; F144-T147 PolarHBondContact O-N 2.92Å; F144-F148 VanDerWaalsContact O-CB 3.26Å; F144-F148 WeakPolarHBondContact O-CB 3.42Å; F144-F148 PolarHBondContact O-N 2.88Å; F144-F252 AromaticContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CE1 4.35Å; F144-F252 WeakPolarHBondContact CE2-O 3.19Å; F144-F252 HydrophobicContact CZ-CB 4.11Å; F144-F252 AromaticContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CE1 4.23Å; F144-F252 HydrophobicContact CZ-CG 4.01Å; F144-M259 HydrophobicContact CB-CB 4.23Å; F144-M259 HydrophobicContact CB-CG 4.2Å |
| 145 | G | 86.2 | Confident | 87.8 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 12% | 0.124 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -50.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G141 E142 T147 F148 E149 | G141-G145 PolarHBondContact O-N 3.41Å; E142-G145 PolarHBondContact O-N 3.37Å; G145-T147 VanDerWaalsContact C-N 3.3Å; G145-T147 PolarHBondContact O-N 2.86Å; G145-F148 PolarHBondContact O-N 3.47Å; G145-E149 WeakPolarHBondContact O-CB 3.21Å; G145-E149 WeakPolarHBondContact O-CG 3.43Å; G145-E149 PolarHBondContact O-N 3.01Å |
| 146 | R | 88.1 | Confident | 86.9 | Confident | 156 Ų | 156 | 74.1 Ų | 74.1 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.9 | -39.1 | 176.9 | -67.6 | 166.5 | -169.9 | -151.8 | 6.1 | 111.6 | E142 Y143 A150 | E142-R146 WeakPolarHBondContact O-CB 3.48Å; E142-R146 WeakPolarHBondContact O-CG 3.41Å; E142-R146 PolarHBondContact O-N 3.38Å; E142-R146 IonicContact OE2-CZ 3.49Å; E142-R146 IonicContact OE2-NE 2.62Å; E142-R146 PolarHBondContact OE2-NE 3.22Å; E142-R146 IonicContact OE2-NH2 2.72Å; E142-R146 PolarHBondContact OE2-NH2 3Å; Y143-R146 PolarHBondContact O-N 3.5Å; R146-A150 WeakPolarHBondContact O-CB 3.49Å; R146-A150 PolarHBondContact O-N 3.32Å |
| 147 | T | 87.9 | Confident | 86.3 | Confident | 49 Ų | 49 | 78.1 Ų | 78.1 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.1 | -47.9 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | Y143 F144 G145 E149 A150 I151 | Y143-T147 VanDerWaalsContact O-CB 3.24Å; Y143-T147 WeakPolarHBondContact O-CB 3.25Å; Y143-T147 PolarHBondContact O-N 3.37Å; Y143-T147 PolarHBondContact O-OG1 3.06Å; F144-T147 PolarHBondContact O-N 2.92Å; G145-T147 VanDerWaalsContact C-N 3.3Å; G145-T147 PolarHBondContact O-N 2.86Å; T147-E149 PolarHBondContact O-N 3.21Å; T147-A150 WeakPolarHBondContact O-CB 3.22Å; T147-A150 PolarHBondContact O-N 3.33Å; T147-A150 VanDerWaalsContact O-N 3.08Å; T147-I151 HydrophobicContact CG2-CD1 3.96Å; T147-I151 WeakPolarHBondContact O-CG1 3.26Å; T147-I151 PolarHBondContact O-N 3.36Å |
| 148 | F | 85 | Confident | 85.7 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 174.7 | 177.6 | -98.4 | 0 | 0 | 0 | 111.3 | F144 G145 A150 I151 Y152 I179 A180 M259 | F144-F148 VanDerWaalsContact O-CB 3.26Å; F144-F148 WeakPolarHBondContact O-CB 3.42Å; F144-F148 PolarHBondContact O-N 2.88Å; G145-F148 PolarHBondContact O-N 3.47Å; F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 PolarHBondContact O-N 3.47Å; F148-I151 PolarHBondContact O-N 3.48Å; F148-Y152 VanDerWaalsContact O-CB 3.27Å; F148-Y152 WeakPolarHBondContact O-CB 3.45Å; F148-Y152 PolarHBondContact O-N 3.13Å; F148-I179 HydrophobicContact CZ-CG2 4.24Å; F148-A180 HydrophobicContact CD1-CB 4.43Å; F148-A180 HydrophobicContact CE1-CB 3.78Å; F148-A180 HydrophobicContact CE2-CB 4.04Å; F148-A180 VanDerWaalsContact CZ-CA 3.46Å; F148-A180 HydrophobicContact CZ-CB 3.56Å; F148-M259 HydrophobicContact CD1-CE 4.22Å |
| 149 | E | 82.1 | Confident | 84.8 | Confident | 85 Ų | 85 | 86.6 Ų | 86.6 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 172.8 | -73.6 | -177.4 | -167.6 | 0 | 0 | 112.4 | G145 T147 R153 | G145-E149 WeakPolarHBondContact O-CB 3.21Å; G145-E149 WeakPolarHBondContact O-CG 3.43Å; G145-E149 PolarHBondContact O-N 3.01Å; T147-E149 PolarHBondContact O-N 3.21Å; E149-R153 VanDerWaalsContact O-CB 3.23Å; E149-R153 WeakPolarHBondContact O-CB 3.39Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 3.35Å; E149-R153 PolarHBondContact O-NE 2.85Å; E149-R153 IonicContact OE2-CZ 3.41Å; E149-R153 IonicContact OE2-NH1 3.16Å; E149-R153 PolarHBondContact OE2-NH1 3.46Å; E149-R153 IonicContact OE2-NH2 2.68Å; E149-R153 PolarHBondContact OE2-NH2 3.2Å; E149-R153 VanDerWaalsContact OE2-NH2 3.13Å |
| 150 | A | 85.6 | Confident | 83.7 | Confident | 46 Ų | 46 | 88.7 Ų | 88.7 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R146 T147 F148 R154 | R146-A150 WeakPolarHBondContact O-CB 3.49Å; R146-A150 PolarHBondContact O-N 3.32Å; T147-A150 WeakPolarHBondContact O-CB 3.22Å; T147-A150 PolarHBondContact O-N 3.33Å; T147-A150 VanDerWaalsContact O-N 3.08Å; F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 PolarHBondContact O-N 3.47Å; A150-R154 WeakPolarHBondContact O-CB 3.21Å; A150-R154 PolarHBondContact O-N 3.47Å |
| 151 | I | 85.1 | Confident | 82.8 | Confident | 104 Ų | 104 | 91.6 Ų | 91.6 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 173.3 | -67.5 | 166.3 | 0 | 0 | 0 | 110.1 | T147 F148 R153 R154 Y155 | T147-I151 HydrophobicContact CG2-CD1 3.96Å; T147-I151 WeakPolarHBondContact O-CG1 3.26Å; T147-I151 PolarHBondContact O-N 3.36Å; F148-I151 PolarHBondContact O-N 3.48Å; I151-R153 PolarHBondContact O-N 3.4Å; I151-R154 CarbonylContact O-C 3.59Å; I151-R154 WeakPolarHBondContact O-CB 3.49Å; I151-R154 PolarHBondContact O-N 3.08Å; I151-R154 VanDerWaalsContact O-N 3.1Å; I151-Y155 WeakPolarHBondContact O-CB 3.4Å; I151-Y155 PolarHBondContact O-N 3.42Å |
| 152 | Y | 81.3 | Confident | 81.7 | Confident | 62 Ų | 62 | 95 Ų | 95 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 177.5 | -179.9 | -110 | 0 | 0 | 0 | 112.3 | F148 K156 L171 | F148-Y152 VanDerWaalsContact O-CB 3.27Å; F148-Y152 WeakPolarHBondContact O-CB 3.45Å; F148-Y152 PolarHBondContact O-N 3.13Å; Y152-K156 WeakPolarHBondContact O-CB 3.32Å; Y152-K156 PolarHBondContact O-N 3.49Å; Y152-L171 WeakPolarHBondContact OH-CD1 3.33Å |
| 153 | R | 80.9 | Confident | 80.3 | Confident | 139 Ų | 139 | 94.3 Ų | 94.3 | 53% | 0.525 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 171.2 | -78.3 | -179.1 | -73.5 | -109.8 | -0.7 | 111.8 | E149 I151 K157 | E149-R153 VanDerWaalsContact O-CB 3.23Å; E149-R153 WeakPolarHBondContact O-CB 3.39Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 3.35Å; E149-R153 PolarHBondContact O-NE 2.85Å; E149-R153 IonicContact OE2-CZ 3.41Å; E149-R153 IonicContact OE2-NH1 3.16Å; E149-R153 PolarHBondContact OE2-NH1 3.46Å; E149-R153 IonicContact OE2-NH2 2.68Å; E149-R153 PolarHBondContact OE2-NH2 3.2Å; E149-R153 VanDerWaalsContact OE2-NH2 3.13Å; I151-R153 PolarHBondContact O-N 3.4Å; R153-K157 WeakPolarHBondContact O-CB 3.43Å; R153-K157 PolarHBondContact O-N 3.02Å |
| 154 | R | 84.7 | Confident | 78.6 | Confident | 200 Ų | 200 | 96.9 Ų | 96.9 | 76% | 0.755 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.3 | -46.8 | 177.5 | -171.9 | -178.1 | -68 | -176.6 | -0.7 | 111.7 | A150 I151 K157 Y158 | A150-R154 WeakPolarHBondContact O-CB 3.21Å; A150-R154 PolarHBondContact O-N 3.47Å; I151-R154 CarbonylContact O-C 3.59Å; I151-R154 WeakPolarHBondContact O-CB 3.49Å; I151-R154 PolarHBondContact O-N 3.08Å; I151-R154 VanDerWaalsContact O-N 3.1Å; R154-K157 PolarHBondContact O-N 2.96Å; R154-Y158 WeakPolarHBondContact O-CB 3.38Å; R154-Y158 PolarHBondContact O-N 2.93Å |
| 155 | Y | 81 | Confident | 76.8 | Confident | 134 Ų | 134 | 104 Ų | 104 | 53% | 0.525 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 175.2 | 176.5 | -97.5 | 0 | 0 | 0 | 111.6 | I151 K157 Y158 K159 | I151-Y155 WeakPolarHBondContact O-CB 3.4Å; I151-Y155 PolarHBondContact O-N 3.42Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 2.81Å; Y155-Y158 PolarHBondContact O-N 2.79Å; Y155-K159 PolarHBondContact O-N 3.14Å |
| 156 | K | 73.9 | Confident | 75.3 | Confident | 75 Ų | 75 | 105.6 Ų | 105.6 | 33% | 0.326 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 174.8 | -179.1 | 174.7 | 177.2 | 177.9 | 0 | 111.6 | Y152 M160 | Y152-K156 WeakPolarHBondContact O-CB 3.32Å; Y152-K156 PolarHBondContact O-N 3.49Å; K156-M160 HydrophobicContact CD-SD 4.41Å; K156-M160 HydrophobicContact CG-CE 4.47Å; K156-M160 HydrophobicContact CG-SD 3.82Å; K156-M160 VanDerWaalsContact O-CB 3.26Å; K156-M160 WeakPolarHBondContact O-CB 3.45Å; K156-M160 WeakPolarHBondContact O-CG 3.39Å; K156-M160 PolarHBondContact O-N 3.46Å |
| 157 | K | 80 | Confident | 73.7 | Confident | 162 Ų | 162 | 103.5 Ų | 103.5 | 70% | 0.704 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 175.7 | -174.1 | -177.8 | 177.3 | -173 | 0 | 111.9 | R153 R154 Y155 M160 S161 | R153-K157 WeakPolarHBondContact O-CB 3.43Å; R153-K157 PolarHBondContact O-N 3.02Å; R154-K157 PolarHBondContact O-N 2.96Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 2.81Å; K157-M160 PolarHBondContact O-N 3.48Å; K157-S161 PolarHBondContact O-N 2.96Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 2.87Å |
| 158 | Y | 79 | Confident | 72.2 | Confident | 154 Ų | 154 | 103.9 Ų | 103.9 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -50.4 | 177.6 | 177.8 | -100.8 | 0 | 0 | 0 | 111.3 | R154 Y155 M160 S161 T162 | R154-Y158 WeakPolarHBondContact O-CB 3.38Å; R154-Y158 PolarHBondContact O-N 2.93Å; Y155-Y158 PolarHBondContact O-N 2.79Å; Y158-M160 VanDerWaalsContact C-N 3.32Å; Y158-M160 PolarHBondContact O-N 2.94Å; Y158-S161 WeakPolarHBondContact CA-OG 3.41Å; Y158-S161 WeakPolarHBondContact O-CA 3.46Å; Y158-S161 PolarHBondContact O-N 3.1Å; Y158-S161 PolarHBondContact O-OG 3.21Å; Y158-T162 HydrophobicContact CE1-CG2 4.2Å; Y158-T162 HydrophobicContact CE2-CG2 4.43Å; Y158-T162 PolarHBondContact O-N 3.38Å; Y158-T162 VanDerWaalsContact O-N 3.09Å |
| 159 | K | 72.7 | Confident | 70.7 | Confident | 64 Ų | 64 | 105 Ų | 105 | 28% | 0.278 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 177.1 | -169.3 | 163 | -174.8 | 170 | 0 | 112.9 | Y155 S161 T162 D163 Y166 | Y155-K159 PolarHBondContact O-N 3.14Å; K159-S161 PolarHBondContact O-N 2.94Å; K159-T162 PolarHBondContact O-N 2.97Å; K159-T162 PolarHBondContact O-OG1 3.44Å; K159-T162 VanDerWaalsContact O-OG1 3.14Å; K159-D163 WeakPolarHBondContact CE-OD2 3.21Å; K159-D163 PolarHBondContact O-N 3.28Å; K159-Y166 HydrophobicContact CD-CD2 4Å; K159-Y166 HydrophobicContact CD-CE2 3.62Å; K159-Y166 HydrophobicContact CG-CD1 4.48Å; K159-Y166 HydrophobicContact CG-CD2 4.02Å; K159-Y166 HydrophobicContact CG-CE1 4.48Å; K159-Y166 HydrophobicContact CG-CE2 4.05Å; K159-Y166 HydrophobicContact CG-CG 4.24Å |
| 160 | M | 68.2 | Low | 69.4 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 43% | 0.429 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -14.5 | 170.5 | -77.7 | 174.7 | 149.7 | 0 | 0 | 114.4 | K156 K157 Y158 Y166 P168 | K156-M160 HydrophobicContact CD-SD 4.41Å; K156-M160 HydrophobicContact CG-CE 4.47Å; K156-M160 HydrophobicContact CG-SD 3.82Å; K156-M160 VanDerWaalsContact O-CB 3.26Å; K156-M160 WeakPolarHBondContact O-CB 3.45Å; K156-M160 WeakPolarHBondContact O-CG 3.39Å; K156-M160 PolarHBondContact O-N 3.46Å; K157-M160 PolarHBondContact O-N 3.48Å; Y158-M160 VanDerWaalsContact C-N 3.32Å; Y158-M160 PolarHBondContact O-N 2.94Å; M160-Y166 HydrophobicContact CE-CD1 4.27Å; M160-Y166 HydrophobicContact CE-CE1 4.43Å; M160-Y166 HydrophobicContact CG-CD1 3.61Å; M160-Y166 HydrophobicContact CG-CE1 4.07Å; M160-P168 HydrophobicContact CE-CB 3.94Å; M160-P168 HydrophobicContact CE-CG 3.97Å |
| 161 | S | 73.8 | Confident | 67.9 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -99.7 | -17.7 | 174.5 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | K157 Y158 K159 | K157-S161 PolarHBondContact O-N 2.96Å; K157-S161 VanDerWaalsContact O-N 3.1Å; K157-S161 PolarHBondContact O-OG 2.87Å; Y158-S161 WeakPolarHBondContact CA-OG 3.41Å; Y158-S161 WeakPolarHBondContact O-CA 3.46Å; Y158-S161 PolarHBondContact O-N 3.1Å; Y158-S161 PolarHBondContact O-OG 3.21Å; K159-S161 PolarHBondContact O-N 2.94Å |
| 162 | T | 68.5 | Low | 66.8 | Low | 76 Ų | 76 | 102.8 Ų | 102.8 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -88.8 | -44.6 | 172.3 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | Y158 K159 | Y158-T162 HydrophobicContact CE1-CG2 4.2Å; Y158-T162 HydrophobicContact CE2-CG2 4.43Å; Y158-T162 PolarHBondContact O-N 3.38Å; Y158-T162 VanDerWaalsContact O-N 3.09Å; K159-T162 PolarHBondContact O-N 2.97Å; K159-T162 PolarHBondContact O-OG1 3.44Å; K159-T162 VanDerWaalsContact O-OG1 3.14Å |
| 163 | D | 60 | Low | 66 | Low | 73 Ų | 73 | 102.7 Ų | 102.7 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | trans | -103.8 | 94.8 | -172.9 | -68.2 | -30.9 | 0 | 0 | 0 | 110.7 | K159 H165 Y166 | K159-D163 WeakPolarHBondContact CE-OD2 3.21Å; K159-D163 PolarHBondContact O-N 3.28Å; D163-H165 PolarHBondContact O-N 3.5Å; D163-H165 VanDerWaalsContact O-N 3.09Å; D163-Y166 VanDerWaalsContact O-CB 3.26Å; D163-Y166 WeakPolarHBondContact O-CB 3.29Å; D163-Y166 PolarHBondContact O-N 2.89Å | ||
| 164 | M | 56.1 | Low | 65.5 | Low | 194 Ų | 194 | 102.3 Ų | 102.3 | 96% | 0.956 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.9 | 175.2 | -166.5 | 77.5 | 77.3 | 0 | 0 | 112.7 | ||
| 165 | H | 53.8 | Low | 64.8 | Low | 178 Ų | 178 | 95.2 Ų | 95.2 | 82% | 0.824 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 12.7 | 176.9 | -118.4 | 86.1 | 0 | 0 | 0 | 113.9 | D163 V167 | D163-H165 PolarHBondContact O-N 3.5Å; D163-H165 VanDerWaalsContact O-N 3.09Å; H165-V167 VanDerWaalsContact C-N 3.28Å; H165-V167 PolarHBondContact O-N 3.48Å |
| 166 | Y | 53.7 | Low | 64.3 | Low | 46 Ų | 46 | 90.2 Ų | 90.2 | 18% | 0.18 | 47% | 0.468 | C | S | . | . | trans | -72.8 | 82.5 | 176.1 | -173.3 | -109.9 | 0 | 0 | 0 | 111.7 | K159 M160 D163 P168 P169 | K159-Y166 HydrophobicContact CD-CD2 4Å; K159-Y166 HydrophobicContact CD-CE2 3.62Å; K159-Y166 HydrophobicContact CG-CD1 4.48Å; K159-Y166 HydrophobicContact CG-CD2 4.02Å; K159-Y166 HydrophobicContact CG-CE1 4.48Å; K159-Y166 HydrophobicContact CG-CE2 4.05Å; K159-Y166 HydrophobicContact CG-CG 4.24Å; M160-Y166 HydrophobicContact CE-CD1 4.27Å; M160-Y166 HydrophobicContact CE-CE1 4.43Å; M160-Y166 HydrophobicContact CG-CD1 3.61Å; M160-Y166 HydrophobicContact CG-CE1 4.07Å; D163-Y166 VanDerWaalsContact O-CB 3.26Å; D163-Y166 WeakPolarHBondContact O-CB 3.29Å; D163-Y166 PolarHBondContact O-N 2.89Å; Y166-P168 HydrophobicContact CE1-CB 4.28Å; Y166-P168 VanDerWaalsContact O-CD 3.3Å; Y166-P168 WeakPolarHBondContact O-CD 3.49Å; Y166-P168 VanDerWaalsContact O-N 3.13Å; Y166-P169 HydrophobicContact CE2-CG 4.42Å; Y166-P169 WeakPolarHBondContact OH-CD 3.3Å | ||
| 167 | V | 54 | Low | 64.4 | Low | 113 Ų | 113 | 88.4 Ų | 88.4 | 69% | 0.685 | 46% | 0.464 | S | S | * | . | trans | -53.6 | 116 | 152.3 | -174.4 | 0 | 0 | 0 | 0 | 106 | H165 P169 | H165-V167 VanDerWaalsContact C-N 3.28Å; H165-V167 PolarHBondContact O-N 3.48Å; V167-P169 VanDerWaalsContact O-CD 3.3Å; V167-P169 WeakPolarHBondContact O-CD 3.3Å | ||
| 168 | P | 56.1 | Low | 64.3 | Low | 56 Ų | 56 | 84 Ų | 84 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | trans | -60.7 | 119.9 | 173.8 | 24.7 | -31 | 0 | 0 | 0 | 106.4 | M160 Y166 Q170 | M160-P168 HydrophobicContact CE-CB 3.94Å; M160-P168 HydrophobicContact CE-CG 3.97Å; Y166-P168 HydrophobicContact CE1-CB 4.28Å; Y166-P168 VanDerWaalsContact O-CD 3.3Å; Y166-P168 WeakPolarHBondContact O-CD 3.49Å; Y166-P168 VanDerWaalsContact O-N 3.13Å; P168-Q170 PolarHBondContact O-N 3.16Å | ||
| 169 | P | 55.3 | Low | 64.4 | Low | 67 Ų | 67 | 80.1 Ų | 80.1 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | trans | -57.8 | 144.5 | 175.9 | -8.2 | 18.6 | 0 | 0 | 0 | 106.8 | Y166 V167 L171 | Y166-P169 HydrophobicContact CE2-CG 4.42Å; Y166-P169 WeakPolarHBondContact OH-CD 3.3Å; V167-P169 VanDerWaalsContact O-CD 3.3Å; V167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-L171 HydrophobicContact CB-CD2 4.12Å; P169-L171 HydrophobicContact CB-CG 3.97Å; P169-L171 HydrophobicContact CG-CD2 4.31Å; P169-L171 HydrophobicContact CG-CG 4.17Å; P169-L171 PolarHBondContact O-N 3.41Å | ||
| 170 | Q | 54.2 | Low | 64.6 | Low | 100 Ų | 100 | 77.3 Ų | 77.3 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | trans | -71.6 | 61.9 | 165.3 | -71.7 | -148.6 | 41.6 | 0 | 0 | 108.6 | P168 G172 | P168-Q170 PolarHBondContact O-N 3.16Å; Q170-G172 VanDerWaalsContact C-N 3.34Å; Q170-G172 PolarHBondContact O-N 3.37Å | ||
| 171 | L | 53.6 | Low | 65.4 | Low | 56 Ų | 56 | 76.2 Ų | 76.2 | 29% | 0.293 | 42% | 0.423 | S | S | . | . | trans | -47 | 100.6 | 176.3 | -76.9 | 177.1 | 0 | 0 | 0 | 107 | Y152 P169 T175 T176 I179 | Y152-L171 WeakPolarHBondContact OH-CD1 3.33Å; P169-L171 HydrophobicContact CB-CD2 4.12Å; P169-L171 HydrophobicContact CB-CG 3.97Å; P169-L171 HydrophobicContact CG-CD2 4.31Å; P169-L171 HydrophobicContact CG-CG 4.17Å; P169-L171 PolarHBondContact O-N 3.41Å; L171-T175 WeakPolarHBondContact CA-OG1 3.33Å; L171-T175 VanDerWaalsContact CB-OG1 3.25Å; L171-T175 WeakPolarHBondContact CB-OG1 3.46Å; L171-T175 HydrophobicContact CD2-CG2 4.4Å; L171-T176 HydrophobicContact CB-CG2 4.35Å; L171-I179 HydrophobicContact CD1-CD1 4.49Å | ||
| 172 | G | 61.7 | Low | 65.9 | Low | 31 Ų | 31 | 77 Ų | 77 | 32% | 0.32 | 42% | 0.419 | S | S | . | . | trans | -58.5 | 155.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q170 I174 T175 T176 | Q170-G172 VanDerWaalsContact C-N 3.34Å; Q170-G172 PolarHBondContact O-N 3.37Å; G172-I174 CarbonylContact O-C 3.58Å; G172-I174 PolarHBondContact O-N 3.09Å; G172-T175 PolarHBondContact N-OG1 2.83Å; G172-T175 VanDerWaalsContact N-OG1 3.13Å; G172-T175 WeakPolarHBondContact O-CA 3.19Å; G172-T175 PolarHBondContact O-N 2.7Å; G172-T175 PolarHBondContact O-OG1 3.04Å; G172-T176 PolarHBondContact O-N 2.83Å | ||
| 173 | L | 65.5 | Low | 66.7 | Low | 61 Ų | 61 | 76.7 Ų | 76.7 | 32% | 0.319 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -55.3 | -31.9 | -175.3 | -166.4 | 141.5 | 0 | 0 | 0 | 112.1 | T175 T176 V177 | L173-T175 PolarHBondContact O-N 3.36Å; L173-T176 PolarHBondContact O-N 3.19Å; L173-T176 PolarHBondContact O-OG1 3.12Å; L173-V177 HydrophobicContact CD2-CG2 3.79Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 2.98Å |
| 174 | I | 68.9 | Low | 67.9 | Low | 131 Ų | 131 | 73.4 Ų | 73.4 | 67% | 0.672 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -52.5 | -51.2 | 169.3 | -58.9 | 168.3 | 0 | 0 | 0 | 111.8 | G172 T176 V177 V178 | G172-I174 CarbonylContact O-C 3.58Å; G172-I174 PolarHBondContact O-N 3.09Å; I174-T176 VanDerWaalsContact C-N 3.34Å; I174-T176 PolarHBondContact O-N 3.38Å; I174-V177 WeakPolarHBondContact O-CB 3.17Å; I174-V177 PolarHBondContact O-N 2.89Å; I174-V178 WeakPolarHBondContact O-CG2 3.16Å; I174-V178 PolarHBondContact O-N 3.49Å |
| 175 | T | 70 | Confident | 69.4 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.7 | -32.1 | -179.8 | 60.7 | 0 | 0 | 0 | 0 | 113 | L171 G172 L173 V178 I179 | L171-T175 WeakPolarHBondContact CA-OG1 3.33Å; L171-T175 VanDerWaalsContact CB-OG1 3.25Å; L171-T175 WeakPolarHBondContact CB-OG1 3.46Å; L171-T175 HydrophobicContact CD2-CG2 4.4Å; G172-T175 PolarHBondContact N-OG1 2.83Å; G172-T175 VanDerWaalsContact N-OG1 3.13Å; G172-T175 WeakPolarHBondContact O-CA 3.19Å; G172-T175 PolarHBondContact O-N 2.7Å; G172-T175 PolarHBondContact O-OG1 3.04Å; L173-T175 PolarHBondContact O-N 3.36Å; T175-V178 PolarHBondContact O-N 2.92Å; T175-I179 WeakPolarHBondContact O-CB 3.44Å; T175-I179 WeakPolarHBondContact O-CD1 3.44Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 3.5Å |
| 176 | T | 71.7 | Confident | 71.1 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.6 | -28.8 | 173.1 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | L171 G172 L173 I174 A180 | L171-T176 HydrophobicContact CB-CG2 4.35Å; G172-T176 PolarHBondContact O-N 2.83Å; L173-T176 PolarHBondContact O-N 3.19Å; L173-T176 PolarHBondContact O-OG1 3.12Å; I174-T176 VanDerWaalsContact C-N 3.34Å; I174-T176 PolarHBondContact O-N 3.38Å; T176-A180 VanDerWaalsContact O-CB 3.3Å; T176-A180 WeakPolarHBondContact O-CB 3.29Å; T176-A180 PolarHBondContact O-N 2.77Å; T176-A180 VanDerWaalsContact O-N 3.12Å |
| 177 | V | 75 | Confident | 72.8 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -50.2 | 166.8 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | L173 I174 I179 A180 L181 F263 | L173-V177 HydrophobicContact CD2-CG2 3.79Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 2.98Å; I174-V177 WeakPolarHBondContact O-CB 3.17Å; I174-V177 PolarHBondContact O-N 2.89Å; V177-I179 PolarHBondContact O-N 2.79Å; V177-A180 WeakPolarHBondContact O-CB 3.35Å; V177-A180 PolarHBondContact O-N 2.71Å; V177-A180 VanDerWaalsContact O-N 3.12Å; V177-L181 VanDerWaalsContact O-CB 3.3Å; V177-L181 WeakPolarHBondContact O-CB 3.31Å; V177-L181 PolarHBondContact O-N 3.38Å; V177-F263 HydrophobicContact CB-CD1 4.43Å; V177-F263 HydrophobicContact CB-CE1 4.24Å; V177-F263 HydrophobicContact CG2-CD1 3.74Å; V177-F263 HydrophobicContact CG2-CE1 3.61Å |
| 178 | V | 79.2 | Confident | 74.5 | Confident | 69 Ų | 69 | 59 Ų | 59 | 42% | 0.418 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | -178.2 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | I174 T175 A180 L181 I182 | I174-V178 WeakPolarHBondContact O-CG2 3.16Å; I174-V178 PolarHBondContact O-N 3.49Å; T175-V178 PolarHBondContact O-N 2.92Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3Å; V178-L181 PolarHBondContact O-N 3.35Å; V178-I182 HydrophobicContact CG1-CD1 3.66Å; V178-I182 HydrophobicContact CG1-CG1 4.32Å; V178-I182 WeakPolarHBondContact O-CG1 3.26Å; V178-I182 PolarHBondContact O-N 3.35Å; V178-I182 VanDerWaalsContact O-N 3.07Å |
| 179 | I | 79.8 | Confident | 76.3 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.3 | -29 | 176.7 | -66.4 | 165 | 0 | 0 | 0 | 111.9 | F148 L171 T175 V177 P183 | F148-I179 HydrophobicContact CZ-CG2 4.24Å; L171-I179 HydrophobicContact CD1-CD1 4.49Å; T175-I179 WeakPolarHBondContact O-CB 3.44Å; T175-I179 WeakPolarHBondContact O-CD1 3.44Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 3.5Å; V177-I179 PolarHBondContact O-N 2.79Å; I179-P183 WeakPolarHBondContact O-CD 3.47Å |
| 180 | A | 78.5 | Confident | 78.1 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -76.3 | -33.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F148 T176 V177 V178 Y256 M259 | F148-A180 HydrophobicContact CD1-CB 4.43Å; F148-A180 HydrophobicContact CE1-CB 3.78Å; F148-A180 HydrophobicContact CE2-CB 4.04Å; F148-A180 VanDerWaalsContact CZ-CA 3.46Å; F148-A180 HydrophobicContact CZ-CB 3.56Å; T176-A180 VanDerWaalsContact O-CB 3.3Å; T176-A180 WeakPolarHBondContact O-CB 3.29Å; T176-A180 PolarHBondContact O-N 2.77Å; T176-A180 VanDerWaalsContact O-N 3.12Å; V177-A180 WeakPolarHBondContact O-CB 3.35Å; V177-A180 PolarHBondContact O-N 2.71Å; V177-A180 VanDerWaalsContact O-N 3.12Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3Å; A180-Y256 PolarHBondContact O-OH 3.44Å; A180-M259 HydrophobicContact CB-CE 4.37Å |
| 181 | L | 84.3 | Confident | 79.9 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.335 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.7 | -44.3 | -173.9 | -176.2 | 65.9 | 0 | 0 | 0 | 113.1 | V177 V178 G184 I185 I260 | V177-L181 VanDerWaalsContact O-CB 3.3Å; V177-L181 WeakPolarHBondContact O-CB 3.31Å; V177-L181 PolarHBondContact O-N 3.38Å; V178-L181 PolarHBondContact O-N 3.35Å; L181-G184 PolarHBondContact O-N 2.97Å; L181-G184 VanDerWaalsContact O-N 3.09Å; L181-I185 HydrophobicContact CD1-CD1 4.15Å; L181-I185 HydrophobicContact CD1-CG1 4.21Å; L181-I185 HydrophobicContact CD2-CD1 4.15Å; L181-I185 HydrophobicContact CG-CD1 3.75Å; L181-I185 HydrophobicContact CG-CG1 4.2Å; L181-I185 PolarHBondContact O-N 2.99Å; L181-I260 HydrophobicContact CD1-CD1 3.73Å; L181-I260 HydrophobicContact CD1-CG1 4.5Å |
| 182 | I | 84.5 | Confident | 81.8 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 55% | 0.554 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -50.7 | -54.4 | -178 | -70.5 | 163.8 | 0 | 0 | 0 | 113.5 | V178 G184 I185 A186 | V178-I182 HydrophobicContact CG1-CD1 3.66Å; V178-I182 HydrophobicContact CG1-CG1 4.32Å; V178-I182 WeakPolarHBondContact O-CG1 3.26Å; V178-I182 PolarHBondContact O-N 3.35Å; V178-I182 VanDerWaalsContact O-N 3.07Å; I182-G184 PolarHBondContact O-N 3.02Å; I182-I185 PolarHBondContact O-N 3.13Å; I182-A186 PolarHBondContact O-N 3.14Å |
| 183 | P | 84 | Confident | 83.3 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 44% | 0.442 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -26.5 | -178.8 | 26.8 | -35.3 | 0 | 0 | 0 | 112.7 | I179 L187 | I179-P183 WeakPolarHBondContact O-CD 3.47Å; P183-L187 VanDerWaalsContact O-CB 3.26Å; P183-L187 WeakPolarHBondContact O-CB 3.32Å; P183-L187 PolarHBondContact O-N 3.47Å |
| 184 | G | 85.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.9 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L181 I182 A186 L187 F188 Y256 | L181-G184 PolarHBondContact O-N 2.97Å; L181-G184 VanDerWaalsContact O-N 3.09Å; I182-G184 PolarHBondContact O-N 3.02Å; G184-A186 VanDerWaalsContact C-N 3.28Å; G184-A186 PolarHBondContact O-N 3Å; G184-L187 PolarHBondContact O-N 2.77Å; G184-F188 WeakPolarHBondContact O-CB 3.41Å; G184-F188 PolarHBondContact O-N 2.89Å; G184-Y256 VanDerWaalsContact CA-CE1 3.47Å; G184-Y256 VanDerWaalsContact CA-CZ 3.5Å; G184-Y256 WeakPolarHBondContact CA-OH 3.46Å |
| 185 | I | 88.3 | Confident | 85.7 | Confident | 69 Ų | 69 | 55 Ų | 55 | 35% | 0.354 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 172.3 | -68.6 | 174.7 | 0 | 0 | 0 | 109.8 | L181 I182 L189 L190 | L181-I185 HydrophobicContact CD1-CD1 4.15Å; L181-I185 HydrophobicContact CD1-CG1 4.21Å; L181-I185 HydrophobicContact CD2-CD1 4.15Å; L181-I185 HydrophobicContact CG-CD1 3.75Å; L181-I185 HydrophobicContact CG-CG1 4.2Å; L181-I185 PolarHBondContact O-N 2.99Å; I182-I185 PolarHBondContact O-N 3.13Å; I185-L189 HydrophobicContact CG2-CD1 4.46Å; I185-L189 WeakPolarHBondContact O-CA 3.37Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 PolarHBondContact O-N 3.19Å; I185-L189 VanDerWaalsContact O-N 3.1Å; I185-L190 HydrophobicContact CG2-CG 4.32Å; I185-L190 PolarHBondContact O-N 2.7Å |
| 186 | A | 88.3 | Confident | 86.8 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -61.8 | -48.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I182 G184 L190 L191 | I182-A186 PolarHBondContact O-N 3.14Å; G184-A186 VanDerWaalsContact C-N 3.28Å; G184-A186 PolarHBondContact O-N 3Å; A186-L190 PolarHBondContact O-N 3.13Å; A186-L191 WeakPolarHBondContact O-CB 3.13Å; A186-L191 PolarHBondContact O-N 2.97Å |
| 187 | L | 89.5 | Confident | 87.7 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -83.9 | -30.7 | -170.7 | -168.8 | 143.7 | 0 | 0 | 0 | 114.3 | P183 G184 P192 | P183-L187 VanDerWaalsContact O-CB 3.26Å; P183-L187 WeakPolarHBondContact O-CB 3.32Å; P183-L187 PolarHBondContact O-N 3.47Å; G184-L187 PolarHBondContact O-N 2.77Å; L187-P192 WeakPolarHBondContact O-CD 3.37Å |
| 188 | F | 91.2 | Very high | 88.4 | Confident | 19 Ų | 19 | 59 Ų | 59 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -108.8 | -11.9 | -175.7 | -62.5 | -63.3 | 0 | 0 | 0 | 114.9 | G184 P192 W249 F252 S253 Y256 | G184-F188 WeakPolarHBondContact O-CB 3.41Å; G184-F188 PolarHBondContact O-N 2.89Å; F188-P192 VanDerWaalsContact O-CG 3.28Å; F188-P192 WeakPolarHBondContact O-CG 3.48Å; F188-W249 PolarHBondContact O-NE1 2.87Å; F188-F252 HydrophobicContact CE1-CB 3.76Å; F188-F252 HydrophobicContact CZ-CB 4.28Å; F188-S253 WeakPolarHBondContact CD1-OG 3.36Å; F188-Y256 AromaticContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD2 4.34Å; F188-Y256 AromaticContact CD2-CE1 3.95Å; F188-Y256 HydrophobicContact CD2-CE1 3.95Å; F188-Y256 AromaticContact CD2-CG 3.55Å; F188-Y256 HydrophobicContact CD2-CG 3.55Å; F188-Y256 AromaticContact CE2-CD1 3.64Å; F188-Y256 HydrophobicContact CE2-CD1 3.64Å; F188-Y256 AromaticContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CE1 4.41Å; F188-Y256 AromaticContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CG-CD1 4.28Å; F188-Y256 HydrophobicContact CZ-CG 4.29Å |
| 189 | L | 92.2 | Very high | 88.8 | Confident | 31 Ų | 31 | 57 Ų | 57 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -116.1 | -59.3 | 171.2 | -57.6 | 175.4 | 0 | 0 | 0 | 111.7 | I185 P192 S193 Y212 T215 | I185-L189 HydrophobicContact CG2-CD1 4.46Å; I185-L189 WeakPolarHBondContact O-CA 3.37Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 PolarHBondContact O-N 3.19Å; I185-L189 VanDerWaalsContact O-N 3.1Å; L189-P192 WeakPolarHBondContact O-CD 3.01Å; L189-P192 WeakPolarHBondContact O-CG 3.45Å; L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 3.42Å; L189-S193 PolarHBondContact O-OG 2.95Å; L189-Y212 HydrophobicContact CD1-CD2 4.33Å; L189-T215 HydrophobicContact CD2-CG2 4.45Å |
| 190 | L | 93.6 | Very high | 89.2 | Confident | 74 Ų | 74 | 54 Ų | 54 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -69.5 | -46.9 | -169.2 | -57 | -176.9 | 0 | 0 | 0 | 113.8 | I185 A186 S193 Y204 L208 | I185-L190 HydrophobicContact CG2-CG 4.32Å; I185-L190 PolarHBondContact O-N 2.7Å; A186-L190 PolarHBondContact O-N 3.13Å; L190-S193 WeakPolarHBondContact O-CB 3.18Å; L190-S193 PolarHBondContact O-N 3.26Å; L190-Y204 PolarHBondContact O-OH 3.44Å; L190-L208 HydrophobicContact CD2-CD1 3.76Å |
| 191 | L | 92.8 | Very high | 89.5 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -55.6 | 177.9 | -174.2 | 166.7 | 0 | 0 | 0 | 113.2 | A186 S193 W194 V195 | A186-L191 WeakPolarHBondContact O-CB 3.13Å; A186-L191 PolarHBondContact O-N 2.97Å; L191-S193 PolarHBondContact O-N 2.9Å; L191-W194 PolarHBondContact O-N 3.14Å; L191-W194 VanDerWaalsContact O-N 3.12Å; L191-V195 HydrophobicContact CD2-CG2 4.4Å |
| 192 | P | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -29.1 | -179.7 | 25.5 | -36.1 | 0 | 0 | 0 | 112.1 | L187 F188 L189 W194 V195 F196 F245 W249 | L187-P192 WeakPolarHBondContact O-CD 3.37Å; F188-P192 VanDerWaalsContact O-CG 3.28Å; F188-P192 WeakPolarHBondContact O-CG 3.48Å; L189-P192 WeakPolarHBondContact O-CD 3.01Å; L189-P192 WeakPolarHBondContact O-CG 3.45Å; P192-W194 VanDerWaalsContact C-N 3.31Å; P192-W194 PolarHBondContact O-N 3.35Å; P192-V195 WeakPolarHBondContact O-CA 3.3Å; P192-V195 WeakPolarHBondContact O-CB 3.29Å; P192-V195 PolarHBondContact O-N 3.09Å; P192-F196 HydrophobicContact CB-CD2 4.34Å; P192-F196 HydrophobicContact CB-CE2 3.98Å; P192-F196 WeakPolarHBondContact O-CD2 3.46Å; P192-F196 PolarHBondContact O-N 2.7Å; P192-F245 HydrophobicContact CB-CZ 4.33Å; P192-W249 HydrophobicContact CB-CD2 4.2Å; P192-W249 HydrophobicContact CB-CG 4.24Å; P192-W249 HydrophobicContact CB-CZ2 4.3Å; P192-W249 HydrophobicContact CG-CZ2 4.28Å; P192-W249 VanDerWaalsContact CG-NE1 3.35Å |
| 193 | S | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -38.8 | 174.2 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | L189 L190 L191 V195 F196 T197 S207 L208 S211 | L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 3.42Å; L189-S193 PolarHBondContact O-OG 2.95Å; L190-S193 WeakPolarHBondContact O-CB 3.18Å; L190-S193 PolarHBondContact O-N 3.26Å; L191-S193 PolarHBondContact O-N 2.9Å; S193-V195 VanDerWaalsContact C-N 3.32Å; S193-V195 PolarHBondContact O-N 3.28Å; S193-F196 PolarHBondContact O-N 2.92Å; S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 3.48Å; S193-S207 VanDerWaalsContact O-CB 3.22Å; S193-S207 WeakPolarHBondContact O-CB 3.42Å; S193-S207 PolarHBondContact OG-O 3.42Å; S193-L208 WeakPolarHBondContact OG-CA 3.2Å; S193-S211 PolarHBondContact OG-OG 3.39Å |
| 194 | W | 93.5 | Very high | 90.8 | Very high | 192 Ų | 192 | 57.3 Ų | 57.3 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.1 | -36.5 | 172.2 | -79.8 | -6.8 | 0 | 0 | 0 | 112.4 | L191 P192 T197 Y198 Y204 | L191-W194 PolarHBondContact O-N 3.14Å; L191-W194 VanDerWaalsContact O-N 3.12Å; P192-W194 VanDerWaalsContact C-N 3.31Å; P192-W194 PolarHBondContact O-N 3.35Å; W194-T197 PolarHBondContact O-N 2.99Å; W194-Y198 PolarHBondContact O-N 2.89Å; W194-Y198 VanDerWaalsContact O-N 3.1Å; W194-Y204 AromaticContact CD1-CD2 3.57Å; W194-Y204 AromaticContact CD1-CE2 3.19Å; W194-Y204 HydrophobicContact CG-CE2 4.2Å; W194-Y204 AromaticContact NE1-CE2 3.68Å |
| 195 | V | 92.2 | Very high | 91.2 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | L191 P192 S193 Y198 F199 Y242 F245 | L191-V195 HydrophobicContact CD2-CG2 4.4Å; P192-V195 WeakPolarHBondContact O-CA 3.3Å; P192-V195 WeakPolarHBondContact O-CB 3.29Å; P192-V195 PolarHBondContact O-N 3.09Å; S193-V195 VanDerWaalsContact C-N 3.32Å; S193-V195 PolarHBondContact O-N 3.28Å; V195-Y198 PolarHBondContact O-N 3.27Å; V195-F199 HydrophobicContact CG1-CD2 3.68Å; V195-F199 HydrophobicContact CG1-CE2 3.88Å; V195-F199 WeakPolarHBondContact O-CD2 3.36Å; V195-F199 PolarHBondContact O-N 3.3Å; V195-Y242 HydrophobicContact CG1-CD2 4.17Å; V195-Y242 HydrophobicContact CG1-CE2 4.21Å; V195-F245 HydrophobicContact CB-CE1 3.97Å; V195-F245 HydrophobicContact CB-CZ 4.32Å; V195-F245 HydrophobicContact CG1-CD1 4Å; V195-F245 HydrophobicContact CG1-CE1 3.68Å; V195-F245 HydrophobicContact CG1-CZ 4.32Å; V195-F245 HydrophobicContact CG2-CE1 4.15Å; V195-F245 HydrophobicContact CG2-CZ 3.99Å |
| 196 | F | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 175.6 | -68.5 | -62.2 | 0 | 0 | 0 | 112.9 | P192 S193 Y198 E200 Y210 Y242 V246 W249 | P192-F196 HydrophobicContact CB-CD2 4.34Å; P192-F196 HydrophobicContact CB-CE2 3.98Å; P192-F196 WeakPolarHBondContact O-CD2 3.46Å; P192-F196 PolarHBondContact O-N 2.7Å; S193-F196 PolarHBondContact O-N 2.92Å; F196-Y198 VanDerWaalsContact C-N 3.27Å; F196-Y198 PolarHBondContact O-N 3.42Å; F196-E200 WeakPolarHBondContact O-CB 3.24Å; F196-E200 PolarHBondContact O-N 3.49Å; F196-Y210 HydrophobicContact CD1-CD1 4.25Å; F196-Y210 HydrophobicContact CD1-CE1 4.02Å; F196-Y210 AromaticContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CE1 4.09Å; F196-Y210 HydrophobicContact CE1-CD1 4.35Å; F196-Y210 AromaticContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE2-CD1 4.06Å; F196-Y210 AromaticContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CG-CD1 4.13Å; F196-Y210 HydrophobicContact CG-CE1 4.27Å; F196-Y210 HydrophobicContact CZ-CD1 4.29Å; F196-Y210 AromaticContact CZ-CE1 3.57Å; F196-Y210 HydrophobicContact CZ-CE1 3.57Å; F196-Y242 HydrophobicContact CD1-CE2 4.22Å; F196-Y242 WeakPolarHBondContact CD1-OH 3.41Å; F196-Y242 HydrophobicContact CE1-CE2 4.08Å; F196-Y242 VanDerWaalsContact CE1-OH 3.23Å; F196-Y242 WeakPolarHBondContact CE1-OH 3.27Å; F196-V246 HydrophobicContact CE1-CG2 3.74Å; F196-V246 HydrophobicContact CZ-CG2 4.01Å; F196-W249 HydrophobicContact CE2-CD2 4.41Å; F196-W249 HydrophobicContact CE2-CE3 4.01Å; F196-W249 AromaticContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CZ2 4.21Å; F196-W249 AromaticContact CE2-CZ3 3.7Å; F196-W249 HydrophobicContact CE2-CZ3 3.7Å; F196-W249 AromaticContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CH2 4.12Å; F196-W249 AromaticContact CZ-CZ3 3.55Å; F196-W249 HydrophobicContact CZ-CZ3 3.55Å |
| 197 | T | 91.4 | Very high | 91.8 | Very high | 45 Ų | 45 | 57.6 Ų | 57.6 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 172.6 | -60.7 | 0 | 0 | 0 | 0 | 112 | S193 W194 N201 W202 Y204 S207 | S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 3.48Å; W194-T197 PolarHBondContact O-N 2.99Å; T197-N201 WeakPolarHBondContact O-CA 3.39Å; T197-N201 PolarHBondContact O-N 3.26Å; T197-W202 WeakPolarHBondContact CA-O 3.31Å; T197-W202 WeakPolarHBondContact CG2-O 3.41Å; T197-Y204 WeakPolarHBondContact OG1-CA 3.49Å; T197-S207 WeakPolarHBondContact CA-OG 3.27Å; T197-S207 PolarHBondContact N-OG 3.48Å; T197-S207 WeakPolarHBondContact OG1-CB 3.36Å; T197-S207 PolarHBondContact OG1-OG 3.44Å |
| 198 | Y | 89.2 | Confident | 92 | Very high | 155 Ų | 155 | 56.1 Ų | 56.1 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -76 | -42.1 | -179.1 | -177.8 | -94.4 | 0 | 0 | 0 | 114 | W194 V195 F196 F235 | W194-Y198 PolarHBondContact O-N 2.89Å; W194-Y198 VanDerWaalsContact O-N 3.1Å; V195-Y198 PolarHBondContact O-N 3.27Å; F196-Y198 VanDerWaalsContact C-N 3.27Å; F196-Y198 PolarHBondContact O-N 3.42Å; Y198-F235 AromaticContact CE1-CE1 3.92Å; Y198-F235 HydrophobicContact CE1-CE1 3.92Å |
| 199 | F | 88.1 | Confident | 92.2 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -88.7 | -33 | -175 | -78.1 | -73.9 | 0 | 0 | 0 | 114.6 | V195 Q231 F235 Y242 | V195-F199 HydrophobicContact CG1-CD2 3.68Å; V195-F199 HydrophobicContact CG1-CE2 3.88Å; V195-F199 WeakPolarHBondContact O-CD2 3.36Å; V195-F199 PolarHBondContact O-N 3.3Å; F199-Q231 PolarHBondContact O-NE2 3Å; F199-F235 AromaticContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD2 4.29Å; F199-F235 AromaticContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE2 4.27Å; F199-F235 HydrophobicContact CD1-CG 4.16Å; F199-F235 HydrophobicContact CD1-CZ 4.1Å; F199-F235 AromaticContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CE1 4.1Å; F199-F235 HydrophobicContact CE1-CG 4.12Å; F199-Y242 HydrophobicContact CB-CD1 4.42Å; F199-Y242 HydrophobicContact CB-CD2 4Å; F199-Y242 HydrophobicContact CB-CE1 4.22Å; F199-Y242 HydrophobicContact CB-CE2 3.77Å; F199-Y242 HydrophobicContact CB-CG 4.32Å; F199-Y242 HydrophobicContact CD1-CD2 4.34Å; F199-Y242 HydrophobicContact CD1-CG 4.17Å; F199-Y242 AromaticContact CD2-CD2 3.36Å; F199-Y242 HydrophobicContact CD2-CD2 3.36Å; F199-Y242 AromaticContact CD2-CE2 3.78Å; F199-Y242 HydrophobicContact CD2-CE2 3.78Å; F199-Y242 AromaticContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CE1-CG 4.49Å; F199-Y242 AromaticContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CG 4.33Å; F199-Y242 HydrophobicContact CG-CD1 4.4Å; F199-Y242 AromaticContact CG-CD2 3.64Å; F199-Y242 HydrophobicContact CG-CD2 3.64Å; F199-Y242 AromaticContact CG-CE2 3.94Å; F199-Y242 HydrophobicContact CG-CE2 3.94Å; F199-Y242 AromaticContact CG-CG 3.9Å; F199-Y242 HydrophobicContact CG-CG 3.9Å |
| 200 | E | 86.9 | Confident | 92.3 | Very high | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -101.2 | -1.7 | -177 | -58.9 | -68.7 | 170 | 0 | 0 | 112.9 | F196 W202 P225 T226 Q231 Y242 | F196-E200 WeakPolarHBondContact O-CB 3.24Å; F196-E200 PolarHBondContact O-N 3.49Å; E200-W202 HydrophobicContact CB-CD2 3.72Å; E200-W202 HydrophobicContact CB-CE3 4.29Å; E200-W202 HydrophobicContact CB-CG 3.91Å; E200-W202 HydrophobicContact CB-CZ2 4.02Å; E200-W202 HydrophobicContact CG-CD2 4.44Å; E200-W202 HydrophobicContact CG-CH2 4.3Å; E200-W202 HydrophobicContact CG-CZ2 4.08Å; E200-W202 PolarHBondContact O-N 3.45Å; E200-W202 PolarHBondContact O-NE1 3.27Å; E200-P225 HydrophobicContact CG-CB 4.48Å; E200-P225 VanDerWaalsContact OE1-C 3.3Å; E200-P225 WeakPolarHBondContact OE1-CA 3.28Å; E200-P225 WeakPolarHBondContact OE1-CB 3.42Å; E200-T226 PolarHBondContact OE1-N 3.26Å; E200-T226 PolarHBondContact OE2-N 2.96Å; E200-T226 PolarHBondContact OE2-OG1 3.2Å; E200-Q231 PolarHBondContact OE2-NE2 3.49Å; E200-Q231 VanDerWaalsContact OE2-NE2 3.09Å; E200-Y242 PolarHBondContact OE1-OH 3.39Å; E200-Y242 VanDerWaalsContact OE1-OH 3.07Å |
| 201 | N | 86.4 | Confident | 92.4 | Very high | 127 Ų | 127 | 54.5 Ų | 54.5 | 68% | 0.679 | 26% | 0.263 | S | S | * | . | trans | 55.6 | 17.1 | -174.6 | -62.4 | -68.1 | 0 | 0 | 0 | 114.9 | T197 | T197-N201 WeakPolarHBondContact O-CA 3.39Å; T197-N201 PolarHBondContact O-N 3.26Å | ||
| 202 | W | 89.8 | Confident | 92.4 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 13% | 0.125 | 26% | 0.263 | C | S | . | . | trans | -74.8 | 144.8 | 176.1 | -58.3 | -13.2 | 0 | 0 | 0 | 111.3 | T197 E200 I206 S207 Y210 Y223 | T197-W202 WeakPolarHBondContact CA-O 3.31Å; T197-W202 WeakPolarHBondContact CG2-O 3.41Å; E200-W202 HydrophobicContact CB-CD2 3.72Å; E200-W202 HydrophobicContact CB-CE3 4.29Å; E200-W202 HydrophobicContact CB-CG 3.91Å; E200-W202 HydrophobicContact CB-CZ2 4.02Å; E200-W202 HydrophobicContact CG-CD2 4.44Å; E200-W202 HydrophobicContact CG-CH2 4.3Å; E200-W202 HydrophobicContact CG-CZ2 4.08Å; E200-W202 PolarHBondContact O-N 3.45Å; E200-W202 PolarHBondContact O-NE1 3.27Å; W202-I206 HydrophobicContact CB-CB 4.35Å; W202-I206 HydrophobicContact CB-CG2 3.98Å; W202-I206 HydrophobicContact CD2-CG2 4.06Å; W202-I206 HydrophobicContact CE3-CG2 3.93Å; W202-I206 HydrophobicContact CG-CG2 4.1Å; W202-S207 PolarHBondContact O-OG 2.98Å; W202-Y210 HydrophobicContact CH2-CG 4.5Å; W202-Y210 HydrophobicContact CZ3-CD1 4.06Å; W202-Y210 HydrophobicContact CZ3-CD2 4.25Å; W202-Y210 AromaticContact CZ3-CG 3.79Å; W202-Y210 HydrophobicContact CZ3-CG 3.79Å; W202-Y223 HydrophobicContact CD2-CD1 4.3Å; W202-Y223 HydrophobicContact CE3-CD1 4.48Å; W202-Y223 HydrophobicContact CZ2-CD1 4.35Å | ||
| 203 | P | 93.8 | Very high | 92.5 | Very high | 74 Ų | 74 | 56 Ų | 56 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | trans | -63.4 | 146.6 | 172.7 | 28.9 | -35.2 | 0 | 0 | 0 | 110.7 | S205 I206 S207 | P203-S205 PolarHBondContact O-N 3.48Å; P203-I206 HydrophobicContact CG-CB 4.18Å; P203-I206 HydrophobicContact CG-CD1 3.73Å; P203-I206 HydrophobicContact CG-CG1 4.08Å; P203-I206 WeakPolarHBondContact O-CA 3.19Å; P203-I206 WeakPolarHBondContact O-CB 3.37Å; P203-I206 PolarHBondContact O-N 2.91Å; P203-S207 PolarHBondContact O-N 2.93Å; P203-S207 VanDerWaalsContact O-N 3.08Å; P203-S207 PolarHBondContact O-OG 2.7Å | ||
| 204 | Y | 94.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 56 Ų | 56 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.5 | -30.6 | -171.6 | -175.9 | -109.2 | 0 | 0 | 0 | 114.8 | L190 W194 T197 S207 L208 | L190-Y204 PolarHBondContact O-OH 3.44Å; W194-Y204 AromaticContact CD1-CD2 3.57Å; W194-Y204 AromaticContact CD1-CE2 3.19Å; W194-Y204 HydrophobicContact CG-CE2 4.2Å; W194-Y204 AromaticContact NE1-CE2 3.68Å; T197-Y204 WeakPolarHBondContact OG1-CA 3.49Å; Y204-S207 PolarHBondContact O-N 3.46Å; Y204-L208 HydrophobicContact CE1-CD1 3.97Å; Y204-L208 VanDerWaalsContact O-CB 3.25Å; Y204-L208 WeakPolarHBondContact O-CB 3.23Å; Y204-L208 PolarHBondContact O-N 3.34Å |
| 205 | S | 94.6 | Very high | 92.3 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -59.8 | -44.9 | 172.8 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | P203 L208 Y209 | P203-S205 PolarHBondContact O-N 3.48Å; S205-L208 PolarHBondContact O-N 3.2Å; S205-Y209 WeakPolarHBondContact O-CB 3.34Å; S205-Y209 PolarHBondContact O-N 3.09Å |
| 206 | I | 94.2 | Very high | 92.3 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 21% | 0.205 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71 | -41.3 | 176.1 | -71.9 | 174.7 | 0 | 0 | 0 | 110.5 | W202 P203 L208 Y209 Y210 Y223 | W202-I206 HydrophobicContact CB-CB 4.35Å; W202-I206 HydrophobicContact CB-CG2 3.98Å; W202-I206 HydrophobicContact CD2-CG2 4.06Å; W202-I206 HydrophobicContact CE3-CG2 3.93Å; W202-I206 HydrophobicContact CG-CG2 4.1Å; P203-I206 HydrophobicContact CG-CB 4.18Å; P203-I206 HydrophobicContact CG-CD1 3.73Å; P203-I206 HydrophobicContact CG-CG1 4.08Å; P203-I206 WeakPolarHBondContact O-CA 3.19Å; P203-I206 WeakPolarHBondContact O-CB 3.37Å; P203-I206 PolarHBondContact O-N 2.91Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 3.48Å; I206-Y209 PolarHBondContact O-N 3.16Å; I206-Y210 WeakPolarHBondContact O-CB 3.42Å; I206-Y210 PolarHBondContact O-N 3.47Å; I206-Y223 HydrophobicContact CD1-CE1 4.06Å; I206-Y223 WeakPolarHBondContact CD1-OH 3.4Å; I206-Y223 HydrophobicContact CG2-CD1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CD1 3.47Å; I206-Y223 HydrophobicContact CG2-CD2 4.1Å; I206-Y223 HydrophobicContact CG2-CE1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CE1 3.47Å; I206-Y223 HydrophobicContact CG2-CE2 4.09Å; I206-Y223 HydrophobicContact CG2-CG 3.81Å |
| 207 | S | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -36.6 | 174.6 | -51.9 | 0 | 0 | 0 | 0 | 112.8 | S193 T197 W202 P203 Y204 S211 | S193-S207 VanDerWaalsContact O-CB 3.22Å; S193-S207 WeakPolarHBondContact O-CB 3.42Å; S193-S207 PolarHBondContact OG-O 3.42Å; T197-S207 WeakPolarHBondContact CA-OG 3.27Å; T197-S207 PolarHBondContact N-OG 3.48Å; T197-S207 WeakPolarHBondContact OG1-CB 3.36Å; T197-S207 PolarHBondContact OG1-OG 3.44Å; W202-S207 PolarHBondContact O-OG 2.98Å; P203-S207 PolarHBondContact O-N 2.93Å; P203-S207 VanDerWaalsContact O-N 3.08Å; P203-S207 PolarHBondContact O-OG 2.7Å; Y204-S207 PolarHBondContact O-N 3.46Å; S207-S211 WeakPolarHBondContact O-CB 3.46Å; S207-S211 PolarHBondContact O-N 3.35Å; S207-S211 PolarHBondContact O-OG 2.89Å |
| 208 | L | 95.4 | Very high | 92.5 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -76.9 | -40.8 | 176.5 | -173 | 152 | 0 | 0 | 0 | 112.8 | L190 S193 Y204 S205 I206 S211 Y212 | L190-L208 HydrophobicContact CD2-CD1 3.76Å; S193-L208 WeakPolarHBondContact OG-CA 3.2Å; Y204-L208 HydrophobicContact CE1-CD1 3.97Å; Y204-L208 VanDerWaalsContact O-CB 3.25Å; Y204-L208 WeakPolarHBondContact O-CB 3.23Å; Y204-L208 PolarHBondContact O-N 3.34Å; S205-L208 PolarHBondContact O-N 3.2Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 3.48Å; L208-S211 PolarHBondContact O-N 3.48Å; L208-Y212 WeakPolarHBondContact O-CB 3.44Å; L208-Y212 PolarHBondContact O-N 3.27Å |
| 209 | Y | 95.1 | Very high | 92.6 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 33% | 0.333 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.4 | -51.3 | 171.2 | 168.5 | -96.4 | 0 | 0 | 0 | 111.3 | S205 I206 S211 Y212 V213 F220 D222 Y223 | S205-Y209 WeakPolarHBondContact O-CB 3.34Å; S205-Y209 PolarHBondContact O-N 3.09Å; I206-Y209 PolarHBondContact O-N 3.16Å; Y209-S211 PolarHBondContact O-N 3.03Å; Y209-Y212 PolarHBondContact O-N 3.08Å; Y209-V213 HydrophobicContact CD1-CG2 4.42Å; Y209-V213 HydrophobicContact CD2-CG2 4.02Å; Y209-V213 HydrophobicContact CE1-CG2 4.13Å; Y209-V213 HydrophobicContact CE2-CG2 3.7Å; Y209-V213 HydrophobicContact CG-CG2 4.38Å; Y209-V213 WeakPolarHBondContact O-CB 3.15Å; Y209-V213 WeakPolarHBondContact O-CG2 3.16Å; Y209-V213 PolarHBondContact O-N 3.14Å; Y209-F220 VanDerWaalsContact OH-CD2 3.23Å; Y209-F220 WeakPolarHBondContact OH-CD2 3.47Å; Y209-D222 WeakPolarHBondContact CE1-OD2 3.38Å; Y209-D222 VanDerWaalsContact CZ-OD2 3.31Å; Y209-D222 PolarHBondContact OH-OD2 3.12Å; Y209-Y223 HydrophobicContact CD1-CD2 4.04Å; Y209-Y223 HydrophobicContact CD1-CE2 4.47Å; Y209-Y223 AromaticContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CE2 4.31Å |
| 210 | Y | 94.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.2 | -52.1 | 174 | 169.6 | -100.9 | 0 | 0 | 0 | 111.1 | Y108 F196 W202 I206 Y212 V213 T214 Y223 P225 W249 | Y108-Y210 HydrophobicContact CE1-CE2 4.28Å; Y108-Y210 PolarHBondContact OH-OH 3.25Å; F196-Y210 HydrophobicContact CD1-CD1 4.25Å; F196-Y210 HydrophobicContact CD1-CE1 4.02Å; F196-Y210 AromaticContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CD1 3.97Å; F196-Y210 HydrophobicContact CD2-CE1 4.09Å; F196-Y210 HydrophobicContact CE1-CD1 4.35Å; F196-Y210 AromaticContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE1-CE1 3.68Å; F196-Y210 HydrophobicContact CE2-CD1 4.06Å; F196-Y210 AromaticContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CE2-CE1 3.74Å; F196-Y210 HydrophobicContact CG-CD1 4.13Å; F196-Y210 HydrophobicContact CG-CE1 4.27Å; F196-Y210 HydrophobicContact CZ-CD1 4.29Å; F196-Y210 AromaticContact CZ-CE1 3.57Å; F196-Y210 HydrophobicContact CZ-CE1 3.57Å; W202-Y210 HydrophobicContact CH2-CG 4.5Å; W202-Y210 HydrophobicContact CZ3-CD1 4.06Å; W202-Y210 HydrophobicContact CZ3-CD2 4.25Å; W202-Y210 AromaticContact CZ3-CG 3.79Å; W202-Y210 HydrophobicContact CZ3-CG 3.79Å; I206-Y210 WeakPolarHBondContact O-CB 3.42Å; I206-Y210 PolarHBondContact O-N 3.47Å; Y210-Y212 PolarHBondContact O-N 3.24Å; Y210-Y212 VanDerWaalsContact O-N 3.15Å; Y210-V213 PolarHBondContact O-N 2.97Å; Y210-T214 WeakPolarHBondContact CD2-OG1 3.22Å; Y210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; Y210-T214 WeakPolarHBondContact O-CB 3.43Å; Y210-T214 PolarHBondContact O-N 3.35Å; Y210-T214 PolarHBondContact O-OG1 3.14Å; Y210-T214 VanDerWaalsContact O-OG1 3.07Å; Y210-Y223 VanDerWaalsContact CD2-O 3.23Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.4Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.32Å; Y210-P225 VanDerWaalsContact CZ-CD 3.4Å; Y210-P225 WeakPolarHBondContact OH-CD 3.35Å; Y210-W249 HydrophobicContact CE1-CH2 4.15Å; Y210-W249 HydrophobicContact CE1-CZ3 4.14Å |
| 211 | S | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55 | -37.8 | 179.4 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | S193 S207 L208 Y209 T215 | S193-S211 PolarHBondContact OG-OG 3.39Å; S207-S211 WeakPolarHBondContact O-CB 3.46Å; S207-S211 PolarHBondContact O-N 3.35Å; S207-S211 PolarHBondContact O-OG 2.89Å; L208-S211 PolarHBondContact O-N 3.48Å; Y209-S211 PolarHBondContact O-N 3.03Å; S211-T215 WeakPolarHBondContact O-CB 3.46Å; S211-T215 PolarHBondContact O-N 3.08Å; S211-T215 PolarHBondContact O-OG1 3.37Å |
| 212 | Y | 93.9 | Very high | 93 | Very high | 117 Ų | 117 | 47 Ų | 47 | 46% | 0.459 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.6 | -54.9 | 176.2 | 177.7 | -97.5 | 0 | 0 | 0 | 113 | L189 L208 Y209 Y210 T214 T215 T216 I218 | L189-Y212 HydrophobicContact CD1-CD2 4.33Å; L208-Y212 WeakPolarHBondContact O-CB 3.44Å; L208-Y212 PolarHBondContact O-N 3.27Å; Y209-Y212 PolarHBondContact O-N 3.08Å; Y210-Y212 PolarHBondContact O-N 3.24Å; Y210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-T214 PolarHBondContact O-N 3.37Å; Y212-T215 PolarHBondContact O-N 2.74Å; Y212-T216 HydrophobicContact CD2-CG2 4Å; Y212-T216 HydrophobicContact CE1-CG2 4.28Å; Y212-T216 HydrophobicContact CE2-CG2 3.67Å; Y212-T216 HydrophobicContact CG-CG2 4.44Å; Y212-T216 WeakPolarHBondContact O-CB 3.31Å; Y212-T216 WeakPolarHBondContact O-CG2 3.37Å; Y212-T216 PolarHBondContact O-N 3.06Å; Y212-T216 PolarHBondContact O-OG1 3.48Å; Y212-I218 HydrophobicContact CE1-CD1 4.35Å |
| 213 | V | 93.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -37.4 | -179.4 | 167 | 0 | 0 | 0 | 0 | 111.4 | Y209 Y210 T216 T217 I218 G219 F220 | Y209-V213 HydrophobicContact CD1-CG2 4.42Å; Y209-V213 HydrophobicContact CD2-CG2 4.02Å; Y209-V213 HydrophobicContact CE1-CG2 4.13Å; Y209-V213 HydrophobicContact CE2-CG2 3.7Å; Y209-V213 HydrophobicContact CG-CG2 4.38Å; Y209-V213 WeakPolarHBondContact O-CB 3.15Å; Y209-V213 WeakPolarHBondContact O-CG2 3.16Å; Y209-V213 PolarHBondContact O-N 3.14Å; Y210-V213 PolarHBondContact O-N 2.97Å; V213-T216 PolarHBondContact O-OG1 3.49Å; V213-T217 PolarHBondContact O-N 3.19Å; V213-I218 HydrophobicContact CG1-CB 4.15Å; V213-I218 HydrophobicContact CG1-CG2 4.33Å; V213-I218 PolarHBondContact O-N 3.23Å; V213-G219 PolarHBondContact O-N 3.47Å; V213-F220 HydrophobicContact CG1-CB 4.3Å; V213-F220 HydrophobicContact CG1-CD2 3.69Å; V213-F220 HydrophobicContact CG1-CE2 4.46Å; V213-F220 HydrophobicContact CG1-CG 4.25Å; V213-F220 HydrophobicContact CG2-CD2 3.9Å; V213-F220 HydrophobicContact CG2-CE2 4.11Å |
| 214 | T | 93 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72 | -53.1 | 175.7 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | Y108 Y210 Y212 T216 T217 W249 F250 | Y108-T214 WeakPolarHBondContact OH-CG2 3.22Å; Y108-T214 PolarHBondContact OH-OG1 2.81Å; Y210-T214 WeakPolarHBondContact CD2-OG1 3.22Å; Y210-T214 WeakPolarHBondContact CE2-OG1 3.43Å; Y210-T214 WeakPolarHBondContact O-CB 3.43Å; Y210-T214 PolarHBondContact O-N 3.35Å; Y210-T214 PolarHBondContact O-OG1 3.14Å; Y210-T214 VanDerWaalsContact O-OG1 3.07Å; Y212-T214 PolarHBondContact O-N 3.37Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 3.41Å; T214-T217 PolarHBondContact O-N 3.21Å; T214-W249 HydrophobicContact CG2-CH2 3.59Å; T214-W249 HydrophobicContact CG2-CZ3 3.79Å; T214-F250 HydrophobicContact CG2-CD2 3.42Å; T214-F250 VanDerWaalsContact CG2-CD2 3.42Å; T214-F250 HydrophobicContact CG2-CE2 3.59Å; T214-F250 WeakPolarHBondContact O-CE2 3.36Å |
| 215 | T | 91.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -34.7 | -179.5 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | L189 S211 Y212 T217 L257 | L189-T215 HydrophobicContact CD2-CG2 4.45Å; S211-T215 WeakPolarHBondContact O-CB 3.46Å; S211-T215 PolarHBondContact O-N 3.08Å; S211-T215 PolarHBondContact O-OG1 3.37Å; Y212-T215 PolarHBondContact O-N 2.74Å; T215-T217 PolarHBondContact O-N 2.98Å; T215-L257 WeakPolarHBondContact O-CD1 3.35Å |
| 216 | T | 91.5 | Very high | 91 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.5 | 177.7 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | Y212 V213 T214 I218 | Y212-T216 HydrophobicContact CD2-CG2 4Å; Y212-T216 HydrophobicContact CE1-CG2 4.28Å; Y212-T216 HydrophobicContact CE2-CG2 3.67Å; Y212-T216 HydrophobicContact CG-CG2 4.44Å; Y212-T216 WeakPolarHBondContact O-CB 3.31Å; Y212-T216 WeakPolarHBondContact O-CG2 3.37Å; Y212-T216 PolarHBondContact O-N 3.06Å; Y212-T216 PolarHBondContact O-OG1 3.48Å; V213-T216 PolarHBondContact O-OG1 3.49Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 3.41Å; T216-I218 PolarHBondContact O-N 3.47Å; T216-I218 VanDerWaalsContact OG1-CD1 3.31Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.48Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.38Å |
| 217 | T | 93.2 | Very high | 89.8 | Confident | 43 Ų | 43 | 42 Ų | 42 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 39.3 | -175.4 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | V106 V213 T214 T215 F250 L254 | V106-T217 HydrophobicContact CG2-CG2 3.92Å; V213-T217 PolarHBondContact O-N 3.19Å; T214-T217 PolarHBondContact O-N 3.21Å; T215-T217 PolarHBondContact O-N 2.98Å; T217-F250 HydrophobicContact CG2-CZ 4.27Å; T217-L254 HydrophobicContact CG2-CD1 3.63Å; T217-L254 HydrophobicContact CG2-CD2 3.8Å; T217-L254 HydrophobicContact CG2-CG 4.37Å |
| 218 | I | 93.3 | Very high | 88.3 | Confident | 78 Ų | 78 | 43.6 Ų | 43.6 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | trans | -82.7 | -42.3 | 170.6 | -64.8 | 172.5 | 0 | 0 | 0 | 109.7 | Y212 V213 T216 F220 | Y212-I218 HydrophobicContact CE1-CD1 4.35Å; V213-I218 HydrophobicContact CG1-CB 4.15Å; V213-I218 HydrophobicContact CG1-CG2 4.33Å; V213-I218 PolarHBondContact O-N 3.23Å; T216-I218 PolarHBondContact O-N 3.47Å; T216-I218 VanDerWaalsContact OG1-CD1 3.31Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.48Å; T216-I218 WeakPolarHBondContact OG1-CG1 3.38Å; I218-F220 HydrophobicContact CG2-CD1 4.03Å; I218-F220 HydrophobicContact CG2-CD2 3.91Å; I218-F220 HydrophobicContact CG2-CE1 3.68Å; I218-F220 HydrophobicContact CG2-CE2 3.56Å; I218-F220 HydrophobicContact CG2-CG 4.14Å; I218-F220 HydrophobicContact CG2-CZ 3.43Å; I218-F220 VanDerWaalsContact CG2-CZ 3.43Å; I218-F220 PolarHBondContact O-N 3.12Å | ||
| 219 | G | 91.3 | Very high | 86.5 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | trans | 61.5 | 42.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y108 V213 G221 | Y108-G219 WeakPolarHBondContact CA-O 3.49Å; V213-G219 PolarHBondContact O-N 3.47Å; G219-G221 PolarHBondContact O-N 2.9Å | ||
| 220 | F | 91.5 | Very high | 84.9 | Confident | 130 Ų | 130 | 43.9 Ų | 43.9 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | trans | -56.1 | -33.6 | -178.3 | -67 | -55.9 | 0 | 0 | 0 | 114.6 | Y209 V213 I218 D222 | Y209-F220 VanDerWaalsContact OH-CD2 3.23Å; Y209-F220 WeakPolarHBondContact OH-CD2 3.47Å; V213-F220 HydrophobicContact CG1-CB 4.3Å; V213-F220 HydrophobicContact CG1-CD2 3.69Å; V213-F220 HydrophobicContact CG1-CE2 4.46Å; V213-F220 HydrophobicContact CG1-CG 4.25Å; V213-F220 HydrophobicContact CG2-CD2 3.9Å; V213-F220 HydrophobicContact CG2-CE2 4.11Å; I218-F220 HydrophobicContact CG2-CD1 4.03Å; I218-F220 HydrophobicContact CG2-CD2 3.91Å; I218-F220 HydrophobicContact CG2-CE1 3.68Å; I218-F220 HydrophobicContact CG2-CE2 3.56Å; I218-F220 HydrophobicContact CG2-CG 4.14Å; I218-F220 HydrophobicContact CG2-CZ 3.43Å; I218-F220 VanDerWaalsContact CG2-CZ 3.43Å; I218-F220 PolarHBondContact O-N 3.12Å; F220-D222 PolarHBondContact O-N 2.88Å | ||
| 221 | G | 89.9 | Confident | 83.6 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | trans | 75.8 | 9.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y108 G219 | Y108-G221 WeakPolarHBondContact O-CA 3.34Å; G219-G221 PolarHBondContact O-N 2.9Å | ||
| 222 | D | 90.4 | Very high | 82.2 | Confident | 76 Ų | 76 | 47.4 Ų | 47.4 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -61.6 | -43.9 | 164.8 | 49.8 | -3.6 | 0 | 0 | 0 | 111.7 | Y209 F220 | Y209-D222 WeakPolarHBondContact CE1-OD2 3.38Å; Y209-D222 VanDerWaalsContact CZ-OD2 3.31Å; Y209-D222 PolarHBondContact OH-OD2 3.12Å; F220-D222 PolarHBondContact O-N 2.88Å |
| 223 | Y | 90.7 | Very high | 80.8 | Confident | 83 Ų | 83 | 50 Ų | 50 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -117.1 | 126.9 | 167.9 | -61.3 | -84.4 | 0 | 0 | 0 | 109.7 | W202 I206 Y209 Y210 | W202-Y223 HydrophobicContact CD2-CD1 4.3Å; W202-Y223 HydrophobicContact CE3-CD1 4.48Å; W202-Y223 HydrophobicContact CZ2-CD1 4.35Å; I206-Y223 HydrophobicContact CD1-CE1 4.06Å; I206-Y223 WeakPolarHBondContact CD1-OH 3.4Å; I206-Y223 HydrophobicContact CG2-CD1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CD1 3.47Å; I206-Y223 HydrophobicContact CG2-CD2 4.1Å; I206-Y223 HydrophobicContact CG2-CE1 3.47Å; I206-Y223 VanDerWaalsContact CG2-CE1 3.47Å; I206-Y223 HydrophobicContact CG2-CE2 4.09Å; I206-Y223 HydrophobicContact CG2-CG 3.81Å; Y209-Y223 HydrophobicContact CD1-CD2 4.04Å; Y209-Y223 HydrophobicContact CD1-CE2 4.47Å; Y209-Y223 AromaticContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CD2 3.88Å; Y209-Y223 HydrophobicContact CE1-CE2 4.31Å; Y210-Y223 VanDerWaalsContact CD2-O 3.23Å; Y210-Y223 WeakPolarHBondContact CD2-O 3.4Å; Y210-Y223 WeakPolarHBondContact CE2-O 3.32Å |
| 224 | V | 87.9 | Confident | 79.6 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | trans | -141.2 | 136.5 | 172 | -177.2 | 0 | 0 | 0 | 0 | 105.7 | F97 Y108 N110 T226 | F97-V224 HydrophobicContact CE1-CG1 3.96Å; Y108-V224 HydrophobicContact CD1-CG2 3.95Å; Y108-V224 HydrophobicContact CD2-CG1 4.23Å; Y108-V224 HydrophobicContact CD2-CG2 4.1Å; Y108-V224 HydrophobicContact CE1-CG2 4.42Å; Y108-V224 HydrophobicContact CE2-CG1 4.32Å; Y108-V224 HydrophobicContact CG-CG2 3.76Å; N110-V224 HydrophobicContact CB-CG2 4.46Å; V224-T226 PolarHBondContact O-N 3Å | ||
| 225 | P | 83.6 | Confident | 78.6 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | trans | -50.3 | 118.8 | 180 | 17.1 | -32.1 | 0 | 0 | 0 | 110.3 | F97 E200 Y210 F227 Y242 V246 | F97-P225 HydrophobicContact CZ-CG 4.48Å; E200-P225 HydrophobicContact CG-CB 4.48Å; E200-P225 VanDerWaalsContact OE1-C 3.3Å; E200-P225 WeakPolarHBondContact OE1-CA 3.28Å; E200-P225 WeakPolarHBondContact OE1-CB 3.42Å; Y210-P225 VanDerWaalsContact CZ-CD 3.4Å; Y210-P225 WeakPolarHBondContact OH-CD 3.35Å; P225-F227 HydrophobicContact CB-CE1 4.29Å; P225-F227 HydrophobicContact CB-CE2 3.86Å; P225-F227 HydrophobicContact CB-CZ 3.68Å; P225-F227 HydrophobicContact CG-CE2 3.73Å; P225-F227 HydrophobicContact CG-CZ 3.71Å; P225-F227 WeakPolarHBondContact O-CD2 3.19Å; P225-F227 WeakPolarHBondContact O-CE2 3.49Å; P225-F227 PolarHBondContact O-N 3.41Å; P225-Y242 HydrophobicContact CB-CE1 4.48Å; P225-Y242 WeakPolarHBondContact CB-OH 3.25Å; P225-V246 HydrophobicContact CG-CG1 4.34Å | ||
| 226 | T | 68.1 | Low | 78.1 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | trans | -92.4 | 77.9 | -165.9 | 22.9 | 0 | 0 | 0 | 0 | 108.5 | E200 V224 G228 Q231 | E200-T226 PolarHBondContact OE1-N 3.26Å; E200-T226 PolarHBondContact OE2-N 2.96Å; E200-T226 PolarHBondContact OE2-OG1 3.2Å; V224-T226 PolarHBondContact O-N 3Å; T226-G228 PolarHBondContact O-N 3.07Å; T226-Q231 PolarHBondContact O-NE2 3.36Å; T226-Q231 VanDerWaalsContact O-NE2 3.15Å; T226-Q231 PolarHBondContact O-OE1 2.85Å | ||
| 227 | F | 69.1 | Low | 77.7 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 10% | 0.101 | 34% | 0.344 | C | S | . | . | trans | -61.1 | 54.3 | 176.5 | -53.6 | -75.4 | 0 | 0 | 0 | 113.4 | Y93 H94 P225 Q231 F239 Y242 Q243 | Y93-F227 HydrophobicContact CD1-CD2 4.39Å; Y93-F227 HydrophobicContact CD1-CE2 4.47Å; Y93-F227 HydrophobicContact CE1-CD1 4.22Å; Y93-F227 AromaticContact CE1-CD2 3.85Å; Y93-F227 HydrophobicContact CE1-CD2 3.85Å; Y93-F227 AromaticContact CE1-CE1 3.92Å; Y93-F227 HydrophobicContact CE1-CE1 3.92Å; Y93-F227 AromaticContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CE2 3.52Å; Y93-F227 HydrophobicContact CE1-CG 4.2Å; Y93-F227 AromaticContact CE1-CZ 3.57Å; Y93-F227 HydrophobicContact CE1-CZ 3.57Å; Y93-F227 AromaticContact CZ-CZ 3.88Å; Y93-F227 WeakPolarHBondContact OH-CZ 3.38Å; H94-F227 AromaticContact CE1-CD2 3.87Å; P225-F227 HydrophobicContact CB-CE1 4.29Å; P225-F227 HydrophobicContact CB-CE2 3.86Å; P225-F227 HydrophobicContact CB-CZ 3.68Å; P225-F227 HydrophobicContact CG-CE2 3.73Å; P225-F227 HydrophobicContact CG-CZ 3.71Å; P225-F227 WeakPolarHBondContact O-CD2 3.19Å; P225-F227 WeakPolarHBondContact O-CE2 3.49Å; P225-F227 PolarHBondContact O-N 3.41Å; F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-F239 HydrophobicContact CB-CE2 4.44Å; F227-F239 HydrophobicContact CB-CZ 3.83Å; F227-F239 AromaticContact CD1-CE2 3.83Å; F227-F239 HydrophobicContact CD1-CE2 3.83Å; F227-F239 AromaticContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CG-CZ 4.33Å; F227-Y242 HydrophobicContact CD1-CE1 4.42Å; F227-Y242 HydrophobicContact CE1-CD1 4.11Å; F227-Y242 AromaticContact CE1-CE1 3.79Å; F227-Y242 HydrophobicContact CE1-CE1 3.79Å; F227-Q243 HydrophobicContact CD1-CG 3.82Å; F227-Q243 HydrophobicContact CE1-CG 3.64Å | ||
| 228 | G | 62.5 | Low | 77.2 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | trans | -74.3 | 158.8 | -170 | 0 | 0 | 0 | 0 | 0 | 112.5 | T226 N230 Q231 P232 | T226-G228 PolarHBondContact O-N 3.07Å; G228-N230 PolarHBondContact O-N 2.78Å; G228-Q231 PolarHBondContact O-N 2.95Å; G228-Q231 VanDerWaalsContact O-N 3.16Å; G228-P232 WeakPolarHBondContact O-CD 3.47Å | ||
| 229 | A | 58.6 | Low | 76.7 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P87 | P87-A229 HydrophobicContact CB-CB 4.31Å; P87-A229 HydrophobicContact CG-CB 4.48Å |
| 230 | N | 61.7 | Low | 76.4 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -34.2 | -179.5 | -64.1 | -11.8 | 0 | 0 | 0 | 113.3 | G228 P232 K233 E234 | G228-N230 PolarHBondContact O-N 2.78Å; N230-P232 VanDerWaalsContact C-CD 3.48Å; N230-K233 WeakPolarHBondContact O-CA 3.33Å; N230-K233 WeakPolarHBondContact O-CB 3.44Å; N230-K233 PolarHBondContact O-N 2.86Å; N230-E234 PolarHBondContact O-N 3.28Å; N230-E234 VanDerWaalsContact O-N 3.11Å |
| 231 | Q | 66.6 | Low | 76.3 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.6 | -40 | 178.6 | -74.3 | 177.7 | -17.2 | 0 | 0 | 115.2 | F199 E200 T226 F227 G228 K233 E234 F235 F239 | F199-Q231 PolarHBondContact O-NE2 3Å; E200-Q231 PolarHBondContact OE2-NE2 3.49Å; E200-Q231 VanDerWaalsContact OE2-NE2 3.09Å; T226-Q231 PolarHBondContact O-NE2 3.36Å; T226-Q231 VanDerWaalsContact O-NE2 3.15Å; T226-Q231 PolarHBondContact O-OE1 2.85Å; F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; G228-Q231 PolarHBondContact O-N 2.95Å; G228-Q231 VanDerWaalsContact O-N 3.16Å; Q231-K233 PolarHBondContact O-N 3.27Å; Q231-E234 PolarHBondContact O-N 2.88Å; Q231-F235 HydrophobicContact CB-CD2 4.38Å; Q231-F235 PolarHBondContact O-N 2.84Å; Q231-F239 HydrophobicContact CB-CD2 4.06Å; Q231-F239 HydrophobicContact CB-CE2 3.71Å; Q231-F239 HydrophobicContact CB-CZ 4.2Å; Q231-F239 VanDerWaalsContact OE1-CE2 3.25Å |
| 232 | P | 65.1 | Low | 76.3 | Confident | 57 Ų | 57 | 64 Ų | 64 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68 | -20.9 | 175.1 | 26.1 | -34.5 | 0 | 0 | 0 | 113.5 | G228 N230 G236 F239 | G228-P232 WeakPolarHBondContact O-CD 3.47Å; N230-P232 VanDerWaalsContact C-CD 3.48Å; P232-G236 WeakPolarHBondContact O-CA 3.36Å; P232-G236 PolarHBondContact O-N 3.03Å; P232-F239 HydrophobicContact CB-CD1 3.85Å; P232-F239 HydrophobicContact CB-CE1 4.06Å; P232-F239 HydrophobicContact CG-CE1 4.34Å |
| 233 | K | 63.3 | Low | 76.2 | Confident | 173 Ų | 173 | 61.9 Ų | 61.9 | 75% | 0.752 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -78.7 | -37.1 | 172.1 | -58.9 | 176.6 | -178.6 | 170 | 0 | 111.3 | N230 Q231 | N230-K233 WeakPolarHBondContact O-CA 3.33Å; N230-K233 WeakPolarHBondContact O-CB 3.44Å; N230-K233 PolarHBondContact O-N 2.86Å; Q231-K233 PolarHBondContact O-N 3.27Å |
| 234 | E | 69.6 | Low | 76.2 | Confident | 123 Ų | 123 | 62.7 Ų | 62.7 | 58% | 0.575 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75.7 | -46.1 | -178.6 | -69.2 | 167.6 | -167.5 | 0 | 0 | 113.1 | N230 Q231 | N230-E234 PolarHBondContact O-N 3.28Å; N230-E234 VanDerWaalsContact O-N 3.11Å; Q231-E234 PolarHBondContact O-N 2.88Å |
| 235 | F | 71.9 | Confident | 76.4 | Confident | 38 Ų | 38 | 65 Ų | 65 | 17% | 0.167 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -103.3 | -13.6 | -173.2 | -63.1 | -76.1 | 0 | 0 | 0 | 114.3 | Y198 F199 Q231 G237 W238 F239 | Y198-F235 AromaticContact CE1-CE1 3.92Å; Y198-F235 HydrophobicContact CE1-CE1 3.92Å; F199-F235 AromaticContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD1 4Å; F199-F235 HydrophobicContact CD1-CD2 4.29Å; F199-F235 AromaticContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE1 3.96Å; F199-F235 HydrophobicContact CD1-CE2 4.27Å; F199-F235 HydrophobicContact CD1-CG 4.16Å; F199-F235 HydrophobicContact CD1-CZ 4.1Å; F199-F235 AromaticContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CD1 3.8Å; F199-F235 HydrophobicContact CE1-CE1 4.1Å; F199-F235 HydrophobicContact CE1-CG 4.12Å; Q231-F235 HydrophobicContact CB-CD2 4.38Å; Q231-F235 PolarHBondContact O-N 2.84Å; F235-G237 PolarHBondContact O-N 3.06Å; F235-W238 HydrophobicContact CB-CB 4.39Å; F235-W238 WeakPolarHBondContact O-CB 3.44Å; F235-W238 PolarHBondContact O-N 3.33Å; F235-W238 VanDerWaalsContact O-N 3.12Å; F235-F239 HydrophobicContact CB-CB 4.27Å |
| 236 | G | 80.2 | Confident | 76.8 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -128.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P232 W238 F239 | P232-G236 WeakPolarHBondContact O-CA 3.36Å; P232-G236 PolarHBondContact O-N 3.03Å; G236-W238 PolarHBondContact O-N 3.09Å; G236-F239 WeakPolarHBondContact O-CB 3.26Å; G236-F239 PolarHBondContact O-N 3.41Å; G236-F239 VanDerWaalsContact O-N 3.09Å |
| 237 | G | 82.3 | Confident | 77.9 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.9 | -25.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F235 F239 V240 V241 | F235-G237 PolarHBondContact O-N 3.06Å; G237-F239 PolarHBondContact O-N 3.31Å; G237-V240 PolarHBondContact O-N 2.92Å; G237-V241 PolarHBondContact O-N 3.2Å |
| 238 | W | 83.8 | Confident | 79 | Confident | 182 Ų | 182 | 64.4 Ų | 64.4 | 69% | 0.689 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.8 | -25.3 | 176.9 | -66.4 | 105.9 | 0 | 0 | 0 | 112.7 | F235 G236 V240 V241 Y242 | F235-W238 HydrophobicContact CB-CB 4.39Å; F235-W238 WeakPolarHBondContact O-CB 3.44Å; F235-W238 PolarHBondContact O-N 3.33Å; F235-W238 VanDerWaalsContact O-N 3.12Å; G236-W238 PolarHBondContact O-N 3.09Å; W238-V240 VanDerWaalsContact C-N 3.3Å; W238-V240 PolarHBondContact O-N 3.13Å; W238-V241 HydrophobicContact CE3-CB 4.48Å; W238-V241 HydrophobicContact CE3-CG2 4.41Å; W238-V241 WeakPolarHBondContact O-CB 3.4Å; W238-V241 PolarHBondContact O-N 2.95Å; W238-Y242 WeakPolarHBondContact O-CB 3.35Å; W238-Y242 PolarHBondContact O-N 2.89Å |
| 239 | F | 83.2 | Confident | 80.5 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 174.5 | -173.4 | -123.7 | 0 | 0 | 0 | 112.5 | F227 Q231 P232 F235 G236 G237 Y242 Q243 | F227-F239 HydrophobicContact CB-CE2 4.44Å; F227-F239 HydrophobicContact CB-CZ 3.83Å; F227-F239 AromaticContact CD1-CE2 3.83Å; F227-F239 HydrophobicContact CD1-CE2 3.83Å; F227-F239 AromaticContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CD1-CZ 3.82Å; F227-F239 HydrophobicContact CG-CZ 4.33Å; Q231-F239 HydrophobicContact CB-CD2 4.06Å; Q231-F239 HydrophobicContact CB-CE2 3.71Å; Q231-F239 HydrophobicContact CB-CZ 4.2Å; Q231-F239 VanDerWaalsContact OE1-CE2 3.25Å; P232-F239 HydrophobicContact CB-CD1 3.85Å; P232-F239 HydrophobicContact CB-CE1 4.06Å; P232-F239 HydrophobicContact CG-CE1 4.34Å; F235-F239 HydrophobicContact CB-CB 4.27Å; G236-F239 WeakPolarHBondContact O-CB 3.26Å; G236-F239 PolarHBondContact O-N 3.41Å; G236-F239 VanDerWaalsContact O-N 3.09Å; G237-F239 PolarHBondContact O-N 3.31Å; F239-Y242 HydrophobicContact CD2-CD1 4.45Å; F239-Y242 WeakPolarHBondContact O-CB 3.43Å; F239-Y242 PolarHBondContact O-N 3Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.29Å; F239-Q243 WeakPolarHBondContact O-CB 3.26Å; F239-Q243 WeakPolarHBondContact O-CG 3.36Å; F239-Q243 PolarHBondContact O-N 3.31Å |
| 240 | V | 85.1 | Confident | 82.1 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 47% | 0.473 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.5 | -38.2 | 176 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | G237 W238 Y242 Q243 I244 | G237-V240 PolarHBondContact O-N 2.92Å; W238-V240 VanDerWaalsContact C-N 3.3Å; W238-V240 PolarHBondContact O-N 3.13Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; V240-Q243 PolarHBondContact O-N 3.03Å; V240-I244 HydrophobicContact CG1-CD1 4.13Å; V240-I244 WeakPolarHBondContact O-CG1 3.45Å; V240-I244 PolarHBondContact O-N 3.39Å |
| 241 | V | 88.8 | Confident | 83.5 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | G237 W238 I244 F245 | G237-V241 PolarHBondContact O-N 3.2Å; W238-V241 HydrophobicContact CE3-CB 4.48Å; W238-V241 HydrophobicContact CE3-CG2 4.41Å; W238-V241 WeakPolarHBondContact O-CB 3.4Å; W238-V241 PolarHBondContact O-N 2.95Å; V241-I244 PolarHBondContact O-N 3.24Å; V241-F245 VanDerWaalsContact O-CB 3.29Å; V241-F245 WeakPolarHBondContact O-CB 3.49Å; V241-F245 PolarHBondContact O-N 2.88Å |
| 242 | Y | 90.1 | Very high | 84.8 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 174.3 | 173.6 | -110.8 | 0 | 0 | 0 | 112.4 | V195 F196 F199 E200 P225 F227 W238 F239 V240 I244 F245 V246 | V195-Y242 HydrophobicContact CG1-CD2 4.17Å; V195-Y242 HydrophobicContact CG1-CE2 4.21Å; F196-Y242 HydrophobicContact CD1-CE2 4.22Å; F196-Y242 WeakPolarHBondContact CD1-OH 3.41Å; F196-Y242 HydrophobicContact CE1-CE2 4.08Å; F196-Y242 VanDerWaalsContact CE1-OH 3.23Å; F196-Y242 WeakPolarHBondContact CE1-OH 3.27Å; F199-Y242 HydrophobicContact CB-CD1 4.42Å; F199-Y242 HydrophobicContact CB-CD2 4Å; F199-Y242 HydrophobicContact CB-CE1 4.22Å; F199-Y242 HydrophobicContact CB-CE2 3.77Å; F199-Y242 HydrophobicContact CB-CG 4.32Å; F199-Y242 HydrophobicContact CD1-CD2 4.34Å; F199-Y242 HydrophobicContact CD1-CG 4.17Å; F199-Y242 AromaticContact CD2-CD2 3.36Å; F199-Y242 HydrophobicContact CD2-CD2 3.36Å; F199-Y242 AromaticContact CD2-CE2 3.78Å; F199-Y242 HydrophobicContact CD2-CE2 3.78Å; F199-Y242 AromaticContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CD2-CG 3.99Å; F199-Y242 HydrophobicContact CE1-CG 4.49Å; F199-Y242 AromaticContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CD2 3.85Å; F199-Y242 HydrophobicContact CE2-CG 4.33Å; F199-Y242 HydrophobicContact CG-CD1 4.4Å; F199-Y242 AromaticContact CG-CD2 3.64Å; F199-Y242 HydrophobicContact CG-CD2 3.64Å; F199-Y242 AromaticContact CG-CE2 3.94Å; F199-Y242 HydrophobicContact CG-CE2 3.94Å; F199-Y242 AromaticContact CG-CG 3.9Å; F199-Y242 HydrophobicContact CG-CG 3.9Å; E200-Y242 PolarHBondContact OE1-OH 3.39Å; E200-Y242 VanDerWaalsContact OE1-OH 3.07Å; P225-Y242 HydrophobicContact CB-CE1 4.48Å; P225-Y242 WeakPolarHBondContact CB-OH 3.25Å; F227-Y242 HydrophobicContact CD1-CE1 4.42Å; F227-Y242 HydrophobicContact CE1-CD1 4.11Å; F227-Y242 AromaticContact CE1-CE1 3.79Å; F227-Y242 HydrophobicContact CE1-CE1 3.79Å; W238-Y242 WeakPolarHBondContact O-CB 3.35Å; W238-Y242 PolarHBondContact O-N 2.89Å; F239-Y242 HydrophobicContact CD2-CD1 4.45Å; F239-Y242 WeakPolarHBondContact O-CB 3.43Å; F239-Y242 PolarHBondContact O-N 3Å; V240-Y242 VanDerWaalsContact C-N 3.33Å; Y242-I244 VanDerWaalsContact C-N 3.32Å; Y242-I244 PolarHBondContact O-N 3.43Å; Y242-F245 WeakPolarHBondContact O-CB 3.29Å; Y242-F245 PolarHBondContact O-N 2.88Å; Y242-F245 VanDerWaalsContact O-N 3.1Å; Y242-V246 HydrophobicContact CD2-CG2 4.2Å; Y242-V246 HydrophobicContact CE1-CG2 4.22Å; Y242-V246 HydrophobicContact CE2-CG2 3.73Å; Y242-V246 WeakPolarHBondContact O-CG2 3.49Å; Y242-V246 PolarHBondContact O-N 3.06Å |
| 243 | Q | 87.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 59 Ų | 59 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54 | -45.3 | 174.5 | -83.1 | -176.8 | -4.7 | 0 | 0 | 112.7 | Y93 F227 F239 V240 I247 | Y93-Q243 HydrophobicContact CD2-CB 4.2Å; Y93-Q243 HydrophobicContact CD2-CG 4.17Å; Y93-Q243 HydrophobicContact CE1-CG 4.12Å; Y93-Q243 HydrophobicContact CE2-CB 3.54Å; Y93-Q243 HydrophobicContact CE2-CG 3.74Å; Y93-Q243 PolarHBondContact OH-O 3.25Å; F227-Q243 HydrophobicContact CD1-CG 3.82Å; F227-Q243 HydrophobicContact CE1-CG 3.64Å; F239-Q243 VanDerWaalsContact CE1-NE2 3.29Å; F239-Q243 WeakPolarHBondContact O-CB 3.26Å; F239-Q243 WeakPolarHBondContact O-CG 3.36Å; F239-Q243 PolarHBondContact O-N 3.31Å; V240-Q243 PolarHBondContact O-N 3.03Å; Q243-I247 PolarHBondContact O-N 3.33Å |
| 244 | I | 90.4 | Very high | 87.4 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 175.8 | -66.1 | 166.3 | 0 | 0 | 0 | 110.7 | V240 V241 Y242 V246 I247 V248 | V240-I244 HydrophobicContact CG1-CD1 4.13Å; V240-I244 WeakPolarHBondContact O-CG1 3.45Å; V240-I244 PolarHBondContact O-N 3.39Å; V241-I244 PolarHBondContact O-N 3.24Å; Y242-I244 VanDerWaalsContact C-N 3.32Å; Y242-I244 PolarHBondContact O-N 3.43Å; I244-V246 PolarHBondContact O-N 3.32Å; I244-I247 PolarHBondContact O-N 3.26Å; I244-V248 HydrophobicContact CG2-CG2 4.12Å; I244-V248 WeakPolarHBondContact O-CG2 3.3Å; I244-V248 PolarHBondContact O-N 3.37Å |
| 245 | F | 92.6 | Very high | 88.5 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 28% | 0.281 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 177.9 | 168.9 | -94 | 0 | 0 | 0 | 111.8 | P192 V195 V241 Y242 I247 V248 W249 | P192-F245 HydrophobicContact CB-CZ 4.33Å; V195-F245 HydrophobicContact CB-CE1 3.97Å; V195-F245 HydrophobicContact CB-CZ 4.32Å; V195-F245 HydrophobicContact CG1-CD1 4Å; V195-F245 HydrophobicContact CG1-CE1 3.68Å; V195-F245 HydrophobicContact CG1-CZ 4.32Å; V195-F245 HydrophobicContact CG2-CE1 4.15Å; V195-F245 HydrophobicContact CG2-CZ 3.99Å; V241-F245 VanDerWaalsContact O-CB 3.29Å; V241-F245 WeakPolarHBondContact O-CB 3.49Å; V241-F245 PolarHBondContact O-N 2.88Å; Y242-F245 WeakPolarHBondContact O-CB 3.29Å; Y242-F245 PolarHBondContact O-N 2.88Å; Y242-F245 VanDerWaalsContact O-N 3.1Å; F245-I247 VanDerWaalsContact C-N 3.34Å; F245-I247 PolarHBondContact O-N 3.39Å; F245-V248 PolarHBondContact O-N 2.92Å; F245-W249 HydrophobicContact CE1-CB 4.31Å; F245-W249 HydrophobicContact CE2-CB 4.4Å; F245-W249 HydrophobicContact CZ-CB 4.17Å; F245-W249 WeakPolarHBondContact O-CB 3.32Å; F245-W249 PolarHBondContact O-N 3.19Å |
| 246 | V | 92.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 179.8 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | F97 F196 P225 Y242 I244 F250 | F97-V246 HydrophobicContact CE2-CG1 4.17Å; F196-V246 HydrophobicContact CE1-CG2 3.74Å; F196-V246 HydrophobicContact CZ-CG2 4.01Å; P225-V246 HydrophobicContact CG-CG1 4.34Å; Y242-V246 HydrophobicContact CD2-CG2 4.2Å; Y242-V246 HydrophobicContact CE1-CG2 4.22Å; Y242-V246 HydrophobicContact CE2-CG2 3.73Å; Y242-V246 WeakPolarHBondContact O-CG2 3.49Å; Y242-V246 PolarHBondContact O-N 3.06Å; I244-V246 PolarHBondContact O-N 3.32Å; V246-F250 WeakPolarHBondContact O-CB 3.18Å; V246-F250 PolarHBondContact O-N 2.89Å |
| 247 | I | 91.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -47 | 178.2 | -64.9 | 162.6 | 0 | 0 | 0 | 110.8 | Y93 F96 Q243 I244 F245 F250 I251 | Y93-I247 HydrophobicContact CE2-CD1 3.63Å; F96-I247 HydrophobicContact CD1-CD1 4.04Å; F96-I247 HydrophobicContact CE1-CD1 3.84Å; F96-I247 HydrophobicContact CE1-CG2 4.33Å; Q243-I247 PolarHBondContact O-N 3.33Å; I244-I247 PolarHBondContact O-N 3.26Å; F245-I247 VanDerWaalsContact C-N 3.34Å; F245-I247 PolarHBondContact O-N 3.39Å; I247-F250 PolarHBondContact O-N 2.97Å; I247-I251 HydrophobicContact CG2-CD1 3.9Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.45Å; I247-I251 PolarHBondContact O-N 2.92Å |
| 248 | V | 92.6 | Very high | 90.3 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.8 | -46.9 | -178.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | I244 F245 F250 I251 F252 | I244-V248 HydrophobicContact CG2-CG2 4.12Å; I244-V248 WeakPolarHBondContact O-CG2 3.3Å; I244-V248 PolarHBondContact O-N 3.37Å; F245-V248 PolarHBondContact O-N 2.92Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 3.34Å; V248-I251 PolarHBondContact O-N 3.46Å; V248-F252 HydrophobicContact CG1-CD2 4Å; V248-F252 HydrophobicContact CG1-CE2 3.94Å; V248-F252 VanDerWaalsContact O-CD2 3.27Å; V248-F252 WeakPolarHBondContact O-CD2 3.2Å; V248-F252 PolarHBondContact O-N 3.03Å |
| 249 | W | 94 | Very high | 90.5 | Very high | 14 Ų | 14 | 35 Ų | 35 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.9 | -47.6 | 174 | 159 | 67.3 | 0 | 0 | 0 | 110.7 | F188 P192 F196 Y210 T214 F245 F252 S253 | F188-W249 PolarHBondContact O-NE1 2.87Å; P192-W249 HydrophobicContact CB-CD2 4.2Å; P192-W249 HydrophobicContact CB-CG 4.24Å; P192-W249 HydrophobicContact CB-CZ2 4.3Å; P192-W249 HydrophobicContact CG-CZ2 4.28Å; P192-W249 VanDerWaalsContact CG-NE1 3.35Å; F196-W249 HydrophobicContact CE2-CD2 4.41Å; F196-W249 HydrophobicContact CE2-CE3 4.01Å; F196-W249 AromaticContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CH2 3.8Å; F196-W249 HydrophobicContact CE2-CZ2 4.21Å; F196-W249 AromaticContact CE2-CZ3 3.7Å; F196-W249 HydrophobicContact CE2-CZ3 3.7Å; F196-W249 AromaticContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CE3 3.77Å; F196-W249 HydrophobicContact CZ-CH2 4.12Å; F196-W249 AromaticContact CZ-CZ3 3.55Å; F196-W249 HydrophobicContact CZ-CZ3 3.55Å; Y210-W249 HydrophobicContact CE1-CH2 4.15Å; Y210-W249 HydrophobicContact CE1-CZ3 4.14Å; T214-W249 HydrophobicContact CG2-CH2 3.59Å; T214-W249 HydrophobicContact CG2-CZ3 3.79Å; F245-W249 HydrophobicContact CE1-CB 4.31Å; F245-W249 HydrophobicContact CE2-CB 4.4Å; F245-W249 HydrophobicContact CZ-CB 4.17Å; F245-W249 WeakPolarHBondContact O-CB 3.32Å; F245-W249 PolarHBondContact O-N 3.19Å; W249-F252 PolarHBondContact O-N 3.32Å; W249-S253 PolarHBondContact NE1-OG 2.7Å; W249-S253 VanDerWaalsContact O-CB 3.27Å; W249-S253 WeakPolarHBondContact O-CB 3.23Å; W249-S253 PolarHBondContact O-N 2.84Å; W249-S253 PolarHBondContact O-OG 2.93Å |
| 250 | F | 91.4 | Very high | 90.8 | Very high | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 179.5 | -175.5 | -79.2 | 0 | 0 | 0 | 112 | F100 V106 T214 T217 V246 I247 V248 F252 S253 L254 | F100-F250 HydrophobicContact CE1-CB 4.32Å; F100-F250 AromaticContact CE1-CD1 3.33Å; F100-F250 HydrophobicContact CE1-CD1 3.33Å; F100-F250 AromaticContact CE1-CE1 3.88Å; F100-F250 HydrophobicContact CE1-CE1 3.88Å; F100-F250 AromaticContact CE1-CG 3.94Å; F100-F250 HydrophobicContact CE1-CG 3.94Å; F100-F250 AromaticContact CZ-CD1 3.48Å; F100-F250 HydrophobicContact CZ-CD1 3.48Å; F100-F250 VanDerWaalsContact CZ-CD1 3.48Å; F100-F250 AromaticContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CE1 3.96Å; F100-F250 HydrophobicContact CZ-CG 4.43Å; V106-F250 HydrophobicContact CG2-CE1 4.41Å; V106-F250 HydrophobicContact CG2-CE2 3.6Å; V106-F250 HydrophobicContact CG2-CZ 3.31Å; T214-F250 HydrophobicContact CG2-CD2 3.42Å; T214-F250 VanDerWaalsContact CG2-CD2 3.42Å; T214-F250 HydrophobicContact CG2-CE2 3.59Å; T214-F250 WeakPolarHBondContact O-CE2 3.36Å; T217-F250 HydrophobicContact CG2-CZ 4.27Å; V246-F250 WeakPolarHBondContact O-CB 3.18Å; V246-F250 PolarHBondContact O-N 2.89Å; I247-F250 PolarHBondContact O-N 2.97Å; V248-F250 VanDerWaalsContact C-N 3.29Å; V248-F250 PolarHBondContact O-N 3.34Å; F250-F252 VanDerWaalsContact C-N 3.32Å; F250-F252 PolarHBondContact O-N 3.37Å; F250-S253 PolarHBondContact O-N 3.42Å; F250-L254 HydrophobicContact CE1-CB 4.12Å; F250-L254 HydrophobicContact CE1-CD2 3.55Å; F250-L254 HydrophobicContact CZ-CB 4.5Å; F250-L254 HydrophobicContact CZ-CD2 3.78Å; F250-L254 PolarHBondContact O-N 3.09Å |
| 251 | I | 92.2 | Very high | 90.9 | Very high | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.195 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | -179.7 | -69.6 | 167 | 0 | 0 | 0 | 110.9 | F100 L140 I247 V248 G255 | F100-I251 HydrophobicContact CE1-CG1 4.49Å; F100-I251 HydrophobicContact CE2-CD1 4.23Å; F100-I251 HydrophobicContact CE2-CG1 3.88Å; F100-I251 HydrophobicContact CZ-CD1 4.18Å; F100-I251 HydrophobicContact CZ-CG1 3.48Å; F100-I251 VanDerWaalsContact CZ-CG1 3.48Å; L140-I251 HydrophobicContact CD1-CG2 3.57Å; I247-I251 HydrophobicContact CG2-CD1 3.9Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.45Å; I247-I251 PolarHBondContact O-N 2.92Å; V248-I251 PolarHBondContact O-N 3.46Å; I251-G255 PolarHBondContact O-N 3.2Å; I251-G255 VanDerWaalsContact O-N 3.15Å |
| 252 | F | 92.4 | Very high | 90.7 | Very high | 91 Ų | 91 | 34.7 Ų | 34.7 | 40% | 0.399 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -69.5 | -40 | 179.3 | -80.4 | -120.7 | 0 | 0 | 0 | 111.6 | F144 F188 V248 W249 F250 G255 Y256 | F144-F252 AromaticContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CD1 3.93Å; F144-F252 HydrophobicContact CE1-CE1 4.35Å; F144-F252 WeakPolarHBondContact CE2-O 3.19Å; F144-F252 HydrophobicContact CZ-CB 4.11Å; F144-F252 AromaticContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CD1 3.56Å; F144-F252 HydrophobicContact CZ-CE1 4.23Å; F144-F252 HydrophobicContact CZ-CG 4.01Å; F188-F252 HydrophobicContact CE1-CB 3.76Å; F188-F252 HydrophobicContact CZ-CB 4.28Å; V248-F252 HydrophobicContact CG1-CD2 4Å; V248-F252 HydrophobicContact CG1-CE2 3.94Å; V248-F252 VanDerWaalsContact O-CD2 3.27Å; V248-F252 WeakPolarHBondContact O-CD2 3.2Å; V248-F252 PolarHBondContact O-N 3.03Å; W249-F252 PolarHBondContact O-N 3.32Å; F250-F252 VanDerWaalsContact C-N 3.32Å; F250-F252 PolarHBondContact O-N 3.37Å; F252-G255 PolarHBondContact O-N 2.79Å; F252-Y256 WeakPolarHBondContact O-CB 3.41Å; F252-Y256 PolarHBondContact O-N 3.06Å |
| 253 | S | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 178.5 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | F188 W249 F250 Y256 L257 | F188-S253 WeakPolarHBondContact CD1-OG 3.36Å; W249-S253 PolarHBondContact NE1-OG 2.7Å; W249-S253 VanDerWaalsContact O-CB 3.27Å; W249-S253 WeakPolarHBondContact O-CB 3.23Å; W249-S253 PolarHBondContact O-N 2.84Å; W249-S253 PolarHBondContact O-OG 2.93Å; F250-S253 PolarHBondContact O-N 3.42Å; S253-Y256 CarbonylContact O-C 3.55Å; S253-Y256 PolarHBondContact O-N 2.89Å; S253-L257 PolarHBondContact O-N 3.38Å |
| 254 | L | 91.5 | Very high | 90.2 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.9 | -35.8 | 180 | -172.1 | 48.1 | 0 | 0 | 0 | 112 | F137 T217 F250 Y256 L257 V258 | F137-L254 HydrophobicContact CD1-CB 4.3Å; F137-L254 HydrophobicContact CD1-CD2 4.36Å; F137-L254 HydrophobicContact CD1-CG 4.12Å; F137-L254 HydrophobicContact CD2-CD2 3.78Å; F137-L254 HydrophobicContact CD2-CG 3.89Å; F137-L254 HydrophobicContact CE1-CB 4.31Å; F137-L254 HydrophobicContact CE1-CD2 4Å; F137-L254 HydrophobicContact CE1-CG 4.21Å; F137-L254 HydrophobicContact CE2-CD2 3.34Å; F137-L254 HydrophobicContact CE2-CG 3.97Å; F137-L254 HydrophobicContact CG-CD2 4.29Å; F137-L254 HydrophobicContact CG-CG 4Å; F137-L254 HydrophobicContact CZ-CD2 3.5Å; F137-L254 VanDerWaalsContact CZ-CD2 3.5Å; F137-L254 HydrophobicContact CZ-CG 4.16Å; T217-L254 HydrophobicContact CG2-CD1 3.63Å; T217-L254 HydrophobicContact CG2-CD2 3.8Å; T217-L254 HydrophobicContact CG2-CG 4.37Å; F250-L254 HydrophobicContact CE1-CB 4.12Å; F250-L254 HydrophobicContact CE1-CD2 3.55Å; F250-L254 HydrophobicContact CZ-CB 4.5Å; F250-L254 HydrophobicContact CZ-CD2 3.78Å; F250-L254 PolarHBondContact O-N 3.09Å; L254-Y256 VanDerWaalsContact C-N 3.3Å; L254-Y256 PolarHBondContact O-N 2.99Å; L254-L257 HydrophobicContact CD1-CB 4.34Å; L254-L257 HydrophobicContact CD1-CD2 4.44Å; L254-L257 PolarHBondContact O-N 3.19Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-V258 VanDerWaalsContact O-N 3.07Å |
| 255 | G | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G141 I251 F252 V258 M259 | G141-G255 WeakPolarHBondContact CA-O 3.44Å; I251-G255 PolarHBondContact O-N 3.2Å; I251-G255 VanDerWaalsContact O-N 3.15Å; F252-G255 PolarHBondContact O-N 2.79Å; G255-V258 PolarHBondContact O-N 3.47Å; G255-M259 PolarHBondContact O-N 2.86Å |
| 256 | Y | 91.4 | Very high | 89.3 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 9% | 0.09 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.2 | -34.2 | 175.4 | 176.7 | -102.7 | 0 | 0 | 0 | 113.1 | A180 G184 F188 F252 S253 L254 V258 M259 I260 | A180-Y256 PolarHBondContact O-OH 3.44Å; G184-Y256 VanDerWaalsContact CA-CE1 3.47Å; G184-Y256 VanDerWaalsContact CA-CZ 3.5Å; G184-Y256 WeakPolarHBondContact CA-OH 3.46Å; F188-Y256 AromaticContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD1 3.31Å; F188-Y256 HydrophobicContact CD2-CD2 4.34Å; F188-Y256 AromaticContact CD2-CE1 3.95Å; F188-Y256 HydrophobicContact CD2-CE1 3.95Å; F188-Y256 AromaticContact CD2-CG 3.55Å; F188-Y256 HydrophobicContact CD2-CG 3.55Å; F188-Y256 AromaticContact CE2-CD1 3.64Å; F188-Y256 HydrophobicContact CE2-CD1 3.64Å; F188-Y256 AromaticContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CD2 3.85Å; F188-Y256 HydrophobicContact CE2-CE1 4.41Å; F188-Y256 AromaticContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CE2-CG 3.31Å; F188-Y256 HydrophobicContact CG-CD1 4.28Å; F188-Y256 HydrophobicContact CZ-CG 4.29Å; F252-Y256 WeakPolarHBondContact O-CB 3.41Å; F252-Y256 PolarHBondContact O-N 3.06Å; S253-Y256 CarbonylContact O-C 3.55Å; S253-Y256 PolarHBondContact O-N 2.89Å; L254-Y256 VanDerWaalsContact C-N 3.3Å; L254-Y256 PolarHBondContact O-N 2.99Å; Y256-V258 VanDerWaalsContact C-N 3.3Å; Y256-V258 PolarHBondContact O-N 2.71Å; Y256-M259 HydrophobicContact CD2-CB 4.41Å; Y256-M259 HydrophobicContact CD2-SD 4.35Å; Y256-M259 HydrophobicContact CE2-SD 4Å; Y256-M259 CarbonylContact O-C 3.57Å; Y256-M259 WeakPolarHBondContact O-CA 3.13Å; Y256-M259 WeakPolarHBondContact O-CB 3.14Å; Y256-M259 PolarHBondContact O-N 3.41Å; Y256-M259 VanDerWaalsContact O-N 3.08Å; Y256-I260 HydrophobicContact CD1-CD1 3.97Å; Y256-I260 HydrophobicContact CD1-CG1 4.47Å; Y256-I260 HydrophobicContact CE1-CD1 3.25Å; Y256-I260 HydrophobicContact CE1-CG1 3.84Å; Y256-I260 HydrophobicContact CE2-CG1 4.36Å; Y256-I260 PolarHBondContact O-N 3.27Å |
| 257 | L | 90.7 | Very high | 88.5 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 169.6 | -175.3 | 152.9 | 0 | 0 | 0 | 111 | T215 S253 L254 M259 I260 M261 | T215-L257 WeakPolarHBondContact O-CD1 3.35Å; S253-L257 PolarHBondContact O-N 3.38Å; L254-L257 HydrophobicContact CD1-CB 4.34Å; L254-L257 HydrophobicContact CD1-CD2 4.44Å; L254-L257 PolarHBondContact O-N 3.19Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 3.3Å; L257-I260 PolarHBondContact O-N 2.82Å; L257-M261 HydrophobicContact CD2-CE 4.37Å; L257-M261 HydrophobicContact CD2-CG 3.77Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.46Å; L257-M261 PolarHBondContact O-N 2.65Å |
| 258 | V | 90.5 | Very high | 87.8 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -35.4 | 173.4 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | F137 L254 G255 Y256 M261 T262 | F137-V258 HydrophobicContact CB-CG2 3.92Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-V258 VanDerWaalsContact O-N 3.07Å; G255-V258 PolarHBondContact O-N 3.47Å; Y256-V258 VanDerWaalsContact C-N 3.3Å; Y256-V258 PolarHBondContact O-N 2.71Å; V258-M261 PolarHBondContact O-N 2.9Å; V258-T262 HydrophobicContact CG1-CG2 4.3Å; V258-T262 WeakPolarHBondContact O-CB 3.49Å; V258-T262 VanDerWaalsContact O-CG2 3.32Å; V258-T262 WeakPolarHBondContact O-CG2 3.39Å; V258-T262 PolarHBondContact O-N 2.8Å; V258-T262 PolarHBondContact O-OG1 3.33Å |
| 259 | M | 89.2 | Confident | 87 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 170.5 | -177 | -83.9 | 159.9 | 0 | 0 | 111.7 | F144 F148 A180 G255 Y256 L257 T262 F263 | F144-M259 HydrophobicContact CB-CB 4.23Å; F144-M259 HydrophobicContact CB-CG 4.2Å; F148-M259 HydrophobicContact CD1-CE 4.22Å; A180-M259 HydrophobicContact CB-CE 4.37Å; G255-M259 PolarHBondContact O-N 2.86Å; Y256-M259 HydrophobicContact CD2-CB 4.41Å; Y256-M259 HydrophobicContact CD2-SD 4.35Å; Y256-M259 HydrophobicContact CE2-SD 4Å; Y256-M259 CarbonylContact O-C 3.57Å; Y256-M259 WeakPolarHBondContact O-CA 3.13Å; Y256-M259 WeakPolarHBondContact O-CB 3.14Å; Y256-M259 PolarHBondContact O-N 3.41Å; Y256-M259 VanDerWaalsContact O-N 3.08Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 3.3Å; M259-T262 PolarHBondContact O-OG1 2.67Å; M259-F263 HydrophobicContact CE-CB 4.13Å; M259-F263 HydrophobicContact CE-CD2 3.96Å; M259-F263 HydrophobicContact CE-CG 4.16Å; M259-F263 VanDerWaalsContact O-CB 3.28Å; M259-F263 WeakPolarHBondContact O-CB 3.19Å; M259-F263 PolarHBondContact O-N 3.09Å |
| 260 | I | 88.7 | Confident | 86.2 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 20% | 0.195 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -51.5 | 174.6 | -70.9 | 170.7 | 0 | 0 | 0 | 110.8 | L181 Y256 L257 T262 F263 I264 | L181-I260 HydrophobicContact CD1-CD1 3.73Å; L181-I260 HydrophobicContact CD1-CG1 4.5Å; Y256-I260 HydrophobicContact CD1-CD1 3.97Å; Y256-I260 HydrophobicContact CD1-CG1 4.47Å; Y256-I260 HydrophobicContact CE1-CD1 3.25Å; Y256-I260 HydrophobicContact CE1-CG1 3.84Å; Y256-I260 HydrophobicContact CE2-CG1 4.36Å; Y256-I260 PolarHBondContact O-N 3.27Å; L257-I260 PolarHBondContact O-N 2.82Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 3.45Å; I260-F263 CarbonylContact O-C 3.49Å; I260-F263 PolarHBondContact O-N 2.92Å; I260-I264 HydrophobicContact CG2-CD1 3.53Å; I260-I264 HydrophobicContact CG2-CG1 4.09Å; I260-I264 WeakPolarHBondContact O-CG1 3.38Å; I260-I264 PolarHBondContact O-N 3.1Å |
| 261 | M | 87 | Confident | 85.3 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 50% | 0.498 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | -175.8 | -73.2 | -64.9 | -178.7 | 0 | 0 | 112.1 | L257 V258 T265 | L257-M261 HydrophobicContact CD2-CE 4.37Å; L257-M261 HydrophobicContact CD2-CG 3.77Å; L257-M261 WeakPolarHBondContact O-CB 3.42Å; L257-M261 WeakPolarHBondContact O-CG 3.46Å; L257-M261 PolarHBondContact O-N 2.65Å; V258-M261 PolarHBondContact O-N 2.9Å; M261-T265 VanDerWaalsContact O-CB 3.24Å; M261-T265 WeakPolarHBondContact O-CB 3.04Å; M261-T265 PolarHBondContact O-N 2.81Å; M261-T265 PolarHBondContact O-OG1 2.87Å |
| 262 | T | 85.4 | Confident | 84.2 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 173.1 | 55 | 0 | 0 | 0 | 0 | 112.1 | V258 M259 I260 T265 R266 I799 | V258-T262 HydrophobicContact CG1-CG2 4.3Å; V258-T262 WeakPolarHBondContact O-CB 3.49Å; V258-T262 VanDerWaalsContact O-CG2 3.32Å; V258-T262 WeakPolarHBondContact O-CG2 3.39Å; V258-T262 PolarHBondContact O-N 2.8Å; V258-T262 PolarHBondContact O-OG1 3.33Å; M259-T262 PolarHBondContact O-OG1 2.67Å; I260-T262 VanDerWaalsContact C-N 3.33Å; I260-T262 PolarHBondContact O-N 3.45Å; T262-T265 PolarHBondContact O-N 2.99Å; T262-R266 WeakPolarHBondContact O-CB 3.47Å; T262-R266 WeakPolarHBondContact O-CD 3.35Å; T262-R266 WeakPolarHBondContact O-CG 3.45Å; T262-R266 PolarHBondContact O-N 3.18Å; T262-I799 HydrophobicContact CG2-CD1 4.02Å |
| 263 | F | 82.2 | Confident | 83 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 176.3 | -160.7 | -95 | 0 | 0 | 0 | 112.6 | V177 M259 I260 R266 G267 | V177-F263 HydrophobicContact CB-CD1 4.43Å; V177-F263 HydrophobicContact CB-CE1 4.24Å; V177-F263 HydrophobicContact CG2-CD1 3.74Å; V177-F263 HydrophobicContact CG2-CE1 3.61Å; M259-F263 HydrophobicContact CE-CB 4.13Å; M259-F263 HydrophobicContact CE-CD2 3.96Å; M259-F263 HydrophobicContact CE-CG 4.16Å; M259-F263 VanDerWaalsContact O-CB 3.28Å; M259-F263 WeakPolarHBondContact O-CB 3.19Å; M259-F263 PolarHBondContact O-N 3.09Å; I260-F263 CarbonylContact O-C 3.49Å; I260-F263 PolarHBondContact O-N 2.92Å; F263-R266 PolarHBondContact O-N 3.01Å; F263-G267 PolarHBondContact O-N 3.26Å |
| 264 | I | 83.8 | Confident | 82 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 35% | 0.349 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 171.4 | -67.5 | 175.1 | 0 | 0 | 0 | 110 | I260 G267 L268 | I260-I264 HydrophobicContact CG2-CD1 3.53Å; I260-I264 HydrophobicContact CG2-CG1 4.09Å; I260-I264 WeakPolarHBondContact O-CG1 3.38Å; I260-I264 PolarHBondContact O-N 3.1Å; I264-G267 CarbonylContact O-C 3.6Å; I264-G267 VanDerWaalsContact O-CA 3.31Å; I264-G267 WeakPolarHBondContact O-CA 3.22Å; I264-G267 PolarHBondContact O-N 3.06Å; I264-L268 HydrophobicContact CG2-CD1 3.95Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; I264-L268 WeakPolarHBondContact O-CG 3.45Å; I264-L268 PolarHBondContact O-N 3.26Å |
| 265 | T | 84.1 | Confident | 81.4 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | M261 T262 G267 L268 Q269 | M261-T265 VanDerWaalsContact O-CB 3.24Å; M261-T265 WeakPolarHBondContact O-CB 3.04Å; M261-T265 PolarHBondContact O-N 2.81Å; M261-T265 PolarHBondContact O-OG1 2.87Å; T262-T265 PolarHBondContact O-N 2.99Å; T265-G267 PolarHBondContact O-N 3.35Å; T265-L268 PolarHBondContact O-N 3.47Å; T265-Q269 WeakPolarHBondContact O-CB 3.12Å; T265-Q269 VanDerWaalsContact O-CG 3.27Å; T265-Q269 WeakPolarHBondContact O-CG 3.27Å; T265-Q269 PolarHBondContact O-N 3.14Å |
| 266 | R | 80.2 | Confident | 80.6 | Confident | 141 Ų | 141 | 71.4 Ų | 71.4 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -32.1 | 172.2 | -71.6 | 167.6 | -175.9 | -173.6 | 3.3 | 111.6 | T262 F263 S270 | T262-R266 WeakPolarHBondContact O-CB 3.47Å; T262-R266 WeakPolarHBondContact O-CD 3.35Å; T262-R266 WeakPolarHBondContact O-CG 3.45Å; T262-R266 PolarHBondContact O-N 3.18Å; F263-R266 PolarHBondContact O-N 3.01Å; R266-S270 PolarHBondContact O-N 3Å |
| 267 | G | 75 | Confident | 79.8 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -52.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F263 I264 T265 Q269 S270 | F263-G267 PolarHBondContact O-N 3.26Å; I264-G267 CarbonylContact O-C 3.6Å; I264-G267 VanDerWaalsContact O-CA 3.31Å; I264-G267 WeakPolarHBondContact O-CA 3.22Å; I264-G267 PolarHBondContact O-N 3.06Å; T265-G267 PolarHBondContact O-N 3.35Å; G267-Q269 VanDerWaalsContact C-N 3.28Å; G267-Q269 PolarHBondContact O-N 2.96Å; G267-S270 WeakPolarHBondContact O-CB 3.28Å; G267-S270 PolarHBondContact O-N 2.83Å; G267-S270 PolarHBondContact O-OG 3.44Å |
| 268 | L | 77.5 | Confident | 79.4 | Confident | 118 Ų | 118 | 79.7 Ų | 79.7 | 62% | 0.618 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 177.2 | -66.3 | 173.5 | 0 | 0 | 0 | 112 | I264 T265 S270 L273 | I264-L268 HydrophobicContact CG2-CD1 3.95Å; I264-L268 HydrophobicContact CG2-CG 4.25Å; I264-L268 WeakPolarHBondContact O-CG 3.45Å; I264-L268 PolarHBondContact O-N 3.26Å; T265-L268 PolarHBondContact O-N 3.47Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.44Å; L268-L273 HydrophobicContact CD2-CD2 3.76Å |
| 269 | Q | 76.4 | Confident | 78.9 | Confident | 150 Ų | 150 | 81.6 Ų | 81.6 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -3.9 | 174.9 | -67.9 | 177.2 | 9.4 | 0 | 0 | 114.1 | T265 G267 | T265-Q269 WeakPolarHBondContact O-CB 3.12Å; T265-Q269 VanDerWaalsContact O-CG 3.27Å; T265-Q269 WeakPolarHBondContact O-CG 3.27Å; T265-Q269 PolarHBondContact O-N 3.14Å; G267-Q269 VanDerWaalsContact C-N 3.28Å; G267-Q269 PolarHBondContact O-N 2.96Å |
| 270 | S | 76.1 | Confident | 78.3 | Confident | 20 Ų | 20 | 86.8 Ų | 86.8 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | trans | -68.5 | 139.7 | -173.5 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | R266 G267 L268 K272 L273 A274 | R266-S270 PolarHBondContact O-N 3Å; G267-S270 WeakPolarHBondContact O-CB 3.28Å; G267-S270 PolarHBondContact O-N 2.83Å; G267-S270 PolarHBondContact O-OG 3.44Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.44Å; S270-K272 PolarHBondContact O-N 2.88Å; S270-K272 VanDerWaalsContact O-N 3.14Å; S270-L273 PolarHBondContact O-N 3.42Å; S270-L273 WeakPolarHBondContact OG-CB 3.32Å; S270-L273 PolarHBondContact OG-N 3.33Å; S270-L273 VanDerWaalsContact OG-N 3.13Å; S270-A274 PolarHBondContact O-N 2.72Å | ||
| 271 | K | 72.7 | Confident | 77.8 | Confident | 173 Ų | 173 | 86.8 Ų | 86.8 | 75% | 0.752 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57 | -29.6 | 174.1 | -66.8 | -175.4 | 179.9 | -178.9 | 0 | 112.4 | Y275 | K271-Y275 WeakPolarHBondContact O-CB 3.21Å; K271-Y275 PolarHBondContact O-N 2.92Å |
| 272 | K | 68.3 | Low | 77.5 | Confident | 120 Ų | 120 | 85.1 Ų | 85.1 | 52% | 0.522 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 174.2 | -72.7 | -158.2 | 172.1 | -161.7 | 0 | 111.7 | S270 Y275 L276 | S270-K272 PolarHBondContact O-N 2.88Å; S270-K272 VanDerWaalsContact O-N 3.14Å; K272-Y275 PolarHBondContact O-N 3.3Å; K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 2.93Å |
| 273 | L | 68.4 | Low | 77.3 | Confident | 71 Ų | 71 | 88.2 Ų | 88.2 | 37% | 0.372 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.7 | -38 | 174.8 | -165.5 | 72.1 | 0 | 0 | 0 | 112 | L268 S270 Y275 L276 E277 | L268-L273 HydrophobicContact CD2-CD2 3.76Å; S270-L273 PolarHBondContact O-N 3.42Å; S270-L273 WeakPolarHBondContact OG-CB 3.32Å; S270-L273 PolarHBondContact OG-N 3.33Å; S270-L273 VanDerWaalsContact OG-N 3.13Å; L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.48Å; L273-L276 HydrophobicContact CD1-CB 4.5Å; L273-L276 HydrophobicContact CD1-CD1 4.32Å; L273-L276 CarbonylContact O-C 3.58Å; L273-L276 PolarHBondContact O-N 3.36Å; L273-L276 VanDerWaalsContact O-N 3.12Å; L273-E277 PolarHBondContact O-N 3.22Å |
| 274 | A | 72.7 | Confident | 77.1 | Confident | 38 Ų | 38 | 91 Ų | 91 | 31% | 0.314 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -33.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S270 Q278 | S270-A274 PolarHBondContact O-N 2.72Å; A274-Q278 VanDerWaalsContact O-CG 3.27Å; A274-Q278 WeakPolarHBondContact O-CG 3.4Å; A274-Q278 PolarHBondContact O-N 2.88Å |
| 275 | Y | 77.7 | Confident | 77.1 | Confident | 132 Ų | 132 | 93.5 Ų | 93.5 | 52% | 0.518 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 171.4 | 179.8 | -100.2 | 0 | 0 | 0 | 112 | K271 K272 L273 Q278 Q279 | K271-Y275 WeakPolarHBondContact O-CB 3.21Å; K271-Y275 PolarHBondContact O-N 2.92Å; K272-Y275 PolarHBondContact O-N 3.3Å; L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.48Å; Y275-Q278 CarbonylContact O-C 3.5Å; Y275-Q278 WeakPolarHBondContact O-CB 3.09Å; Y275-Q278 PolarHBondContact O-N 2.81Å; Y275-Q279 HydrophobicContact CD1-CG 4.28Å; Y275-Q279 HydrophobicContact CE1-CG 3.89Å; Y275-Q279 VanDerWaalsContact CE1-NE2 3.34Å; Y275-Q279 PolarHBondContact O-N 2.93Å; Y275-Q279 PolarHBondContact OH-NE2 3.46Å |
| 276 | L | 74.7 | Confident | 76.9 | Confident | 88 Ų | 88 | 93.5 Ų | 93.5 | 46% | 0.461 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 173 | -68.7 | 168.8 | 0 | 0 | 0 | 112.4 | K272 L273 Q278 Q279 L280 | K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 2.93Å; L273-L276 HydrophobicContact CD1-CB 4.5Å; L273-L276 HydrophobicContact CD1-CD1 4.32Å; L273-L276 CarbonylContact O-C 3.58Å; L273-L276 PolarHBondContact O-N 3.36Å; L273-L276 VanDerWaalsContact O-N 3.12Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.49Å; L276-Q279 PolarHBondContact O-N 2.84Å; L276-L280 VanDerWaalsContact O-CB 3.27Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 PolarHBondContact O-N 3.03Å |
| 277 | E | 75.5 | Confident | 76.7 | Confident | 102 Ų | 102 | 90.5 Ų | 90.5 | 48% | 0.477 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 170.2 | -174.7 | -165.2 | 154.8 | 0 | 0 | 110.4 | R5 L273 S281 | R5-E277 IonicContact NH1-OE1 3.22Å; R5-E277 IonicContact NH2-OE1 2.9Å; L273-E277 PolarHBondContact O-N 3.22Å; E277-S281 WeakPolarHBondContact O-CB 3.37Å; E277-S281 PolarHBondContact O-N 2.86Å; E277-S281 PolarHBondContact O-OG 3.01Å |
| 278 | Q | 81.7 | Confident | 76.8 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 176.2 | -74.3 | 173.2 | 12.6 | 0 | 0 | 112.5 | A274 Y275 L276 S281 S282 | A274-Q278 VanDerWaalsContact O-CG 3.27Å; A274-Q278 WeakPolarHBondContact O-CG 3.4Å; A274-Q278 PolarHBondContact O-N 2.88Å; Y275-Q278 CarbonylContact O-C 3.5Å; Y275-Q278 WeakPolarHBondContact O-CB 3.09Å; Y275-Q278 PolarHBondContact O-N 2.81Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 3.49Å; Q278-S281 PolarHBondContact O-OG 3.39Å; Q278-S282 VanDerWaalsContact O-CB 3.23Å; Q278-S282 WeakPolarHBondContact O-CB 3.44Å; Q278-S282 PolarHBondContact O-N 3.08Å; Q278-S282 PolarHBondContact O-OG 3.4Å; Q278-S282 VanDerWaalsContact O-OG 3.1Å |
| 279 | Q | 78.8 | Confident | 77 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69 | -45 | 174.2 | -75 | -172.9 | -43.8 | 0 | 0 | 112.3 | Y275 L276 S282 N283 | Y275-Q279 HydrophobicContact CD1-CG 4.28Å; Y275-Q279 HydrophobicContact CE1-CG 3.89Å; Y275-Q279 VanDerWaalsContact CE1-NE2 3.34Å; Y275-Q279 PolarHBondContact O-N 2.93Å; Y275-Q279 PolarHBondContact OH-NE2 3.46Å; L276-Q279 PolarHBondContact O-N 2.84Å; Q279-S282 PolarHBondContact O-N 2.89Å; Q279-S282 PolarHBondContact O-OG 3.16Å; Q279-N283 WeakPolarHBondContact O-CB 3.41Å; Q279-N283 PolarHBondContact O-N 2.61Å; Q279-N283 PolarHBondContact O-ND2 3.08Å |
| 280 | L | 77.3 | Confident | 77.2 | Confident | 116 Ų | 116 | 95.4 Ų | 95.4 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 178.2 | -168.3 | 79.8 | 0 | 0 | 0 | 110.3 | L276 N283 L284 | L276-L280 VanDerWaalsContact O-CB 3.27Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 PolarHBondContact O-N 3.03Å; L280-N283 PolarHBondContact O-N 3.29Å; L280-L284 HydrophobicContact CD2-CD1 4.33Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 WeakPolarHBondContact O-CB 3.18Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.38Å; L280-L284 PolarHBondContact O-N 3.05Å |
| 281 | S | 78.4 | Confident | 77.2 | Confident | 39 Ų | 39 | 99.5 Ų | 99.5 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.2 | -19.5 | 180 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | E277 Q278 K285 | E277-S281 WeakPolarHBondContact O-CB 3.37Å; E277-S281 PolarHBondContact O-N 2.86Å; E277-S281 PolarHBondContact O-OG 3.01Å; Q278-S281 PolarHBondContact O-OG 3.39Å; S281-K285 WeakPolarHBondContact O-CB 3.28Å; S281-K285 WeakPolarHBondContact O-CD 3.34Å; S281-K285 WeakPolarHBondContact O-CG 3.22Å; S281-K285 PolarHBondContact O-N 3.24Å |
| 282 | S | 79.9 | Confident | 77.2 | Confident | 65 Ų | 65 | 99.4 Ų | 99.4 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -78.3 | -43.5 | 168.5 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | Q278 Q279 K285 A286 | Q278-S282 VanDerWaalsContact O-CB 3.23Å; Q278-S282 WeakPolarHBondContact O-CB 3.44Å; Q278-S282 PolarHBondContact O-N 3.08Å; Q278-S282 PolarHBondContact O-OG 3.4Å; Q278-S282 VanDerWaalsContact O-OG 3.1Å; Q279-S282 PolarHBondContact O-N 2.89Å; Q279-S282 PolarHBondContact O-OG 3.16Å; S282-K285 PolarHBondContact O-N 2.99Å; S282-A286 WeakPolarHBondContact O-CB 3.35Å; S282-A286 PolarHBondContact O-N 3.48Å |
| 283 | N | 81.7 | Confident | 77.7 | Confident | 99 Ų | 99 | 96 Ų | 96 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.7 | -78 | -64.9 | 0 | 0 | 0 | 111.9 | Q279 L280 K285 A286 T287 | Q279-N283 WeakPolarHBondContact O-CB 3.41Å; Q279-N283 PolarHBondContact O-N 2.61Å; Q279-N283 PolarHBondContact O-ND2 3.08Å; L280-N283 PolarHBondContact O-N 3.29Å; N283-K285 VanDerWaalsContact C-N 3.29Å; N283-K285 PolarHBondContact O-N 3.43Å; N283-A286 WeakPolarHBondContact O-CB 3.24Å; N283-A286 PolarHBondContact O-N 3.1Å; N283-A286 VanDerWaalsContact O-N 3.07Å; N283-T287 PolarHBondContact O-N 3Å; N283-T287 PolarHBondContact O-OG1 3.24Å |
| 284 | L | 79.1 | Confident | 78.1 | Confident | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.2 | -39.8 | 176.3 | -77.1 | 169.4 | 0 | 0 | 0 | 112.3 | L280 Q288 | L280-L284 HydrophobicContact CD2-CD1 4.33Å; L280-L284 HydrophobicContact CG-CD1 4.03Å; L280-L284 WeakPolarHBondContact O-CB 3.18Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.38Å; L280-L284 PolarHBondContact O-N 3.05Å; L284-Q288 VanDerWaalsContact O-CB 3.27Å; L284-Q288 WeakPolarHBondContact O-CB 3.44Å; L284-Q288 PolarHBondContact O-N 2.84Å |
| 285 | K | 83 | Confident | 78.3 | Confident | 120 Ų | 120 | 96.1 Ų | 96.1 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.2 | -37.3 | 174.3 | -74 | 169.4 | -167.2 | 156.3 | 0 | 112.6 | S281 S282 N283 N289 | S281-K285 WeakPolarHBondContact O-CB 3.28Å; S281-K285 WeakPolarHBondContact O-CD 3.34Å; S281-K285 WeakPolarHBondContact O-CG 3.22Å; S281-K285 PolarHBondContact O-N 3.24Å; S282-K285 PolarHBondContact O-N 2.99Å; N283-K285 VanDerWaalsContact C-N 3.29Å; N283-K285 PolarHBondContact O-N 3.43Å; K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 3.36Å; K285-N289 PolarHBondContact O-ND2 3.49Å |
| 286 | A | 80.4 | Confident | 78.3 | Confident | 57 Ų | 57 | 93.5 Ų | 93.5 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S282 N283 N289 R290 | S282-A286 WeakPolarHBondContact O-CB 3.35Å; S282-A286 PolarHBondContact O-N 3.48Å; N283-A286 WeakPolarHBondContact O-CB 3.24Å; N283-A286 PolarHBondContact O-N 3.1Å; N283-A286 VanDerWaalsContact O-N 3.07Å; A286-N289 PolarHBondContact O-N 3Å; A286-R290 VanDerWaalsContact O-CB 3.29Å; A286-R290 WeakPolarHBondContact O-CB 3.2Å; A286-R290 PolarHBondContact O-N 2.78Å |
| 287 | T | 76.5 | Confident | 78.5 | Confident | 78 Ų | 78 | 95.7 Ų | 95.7 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | N283 N289 R290 I291 | N283-T287 PolarHBondContact O-N 3Å; N283-T287 PolarHBondContact O-OG1 3.24Å; T287-N289 PolarHBondContact O-N 3.44Å; T287-R290 PolarHBondContact O-N 3.4Å; T287-R290 VanDerWaalsContact O-N 3.15Å; T287-I291 HydrophobicContact CG2-CD1 3.87Å; T287-I291 WeakPolarHBondContact O-CG1 3.25Å; T287-I291 PolarHBondContact O-N 3.35Å |
| 288 | Q | 77.2 | Confident | 78.5 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 176.8 | -176 | -179.3 | 7.3 | 0 | 0 | 111.8 | L284 I291 W292 | L284-Q288 VanDerWaalsContact O-CB 3.27Å; L284-Q288 WeakPolarHBondContact O-CB 3.44Å; L284-Q288 PolarHBondContact O-N 2.84Å; Q288-I291 PolarHBondContact O-N 2.92Å; Q288-W292 WeakPolarHBondContact O-CB 3.38Å; Q288-W292 PolarHBondContact O-N 3.29Å |
| 289 | N | 81.5 | Confident | 78.4 | Confident | 109 Ų | 109 | 93.6 Ų | 93.6 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.2 | -38.2 | 176.6 | -72.3 | -9.4 | 0 | 0 | 0 | 111.7 | K285 A286 T287 S293 | K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 3.36Å; K285-N289 PolarHBondContact O-ND2 3.49Å; A286-N289 PolarHBondContact O-N 3Å; T287-N289 PolarHBondContact O-N 3.44Å; N289-S293 VanDerWaalsContact O-CB 3.22Å; N289-S293 WeakPolarHBondContact O-CB 3.47Å; N289-S293 PolarHBondContact O-N 3.13Å; N289-S293 PolarHBondContact O-OG 2.96Å |
| 290 | R | 79.8 | Confident | 78.4 | Confident | 155 Ų | 155 | 91.7 Ų | 91.7 | 59% | 0.585 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -46.2 | 178.2 | -171.4 | 176.4 | -177.2 | 177.3 | -0.3 | 111 | A286 T287 S293 G294 | A286-R290 VanDerWaalsContact O-CB 3.29Å; A286-R290 WeakPolarHBondContact O-CB 3.2Å; A286-R290 PolarHBondContact O-N 2.78Å; T287-R290 PolarHBondContact O-N 3.4Å; T287-R290 VanDerWaalsContact O-N 3.15Å; R290-S293 WeakPolarHBondContact CA-OG 3.44Å; R290-S293 PolarHBondContact O-N 3.08Å; R290-S293 PolarHBondContact O-OG 3.09Å; R290-G294 PolarHBondContact O-N 3.46Å |
| 291 | I | 76.3 | Confident | 78.5 | Confident | 106 Ų | 106 | 93.2 Ų | 93.2 | 54% | 0.544 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 175.3 | -66.5 | 165.6 | 0 | 0 | 0 | 110.5 | T287 Q288 S293 G294 V295 | T287-I291 HydrophobicContact CG2-CD1 3.87Å; T287-I291 WeakPolarHBondContact O-CG1 3.25Å; T287-I291 PolarHBondContact O-N 3.35Å; Q288-I291 PolarHBondContact O-N 2.92Å; I291-S293 PolarHBondContact O-N 3.46Å; I291-G294 PolarHBondContact O-N 2.84Å; I291-V295 PolarHBondContact O-N 2.83Å; I291-V295 VanDerWaalsContact O-N 3.13Å |
| 292 | W | 73.3 | Confident | 78.5 | Confident | 171 Ų | 171 | 97.3 Ų | 97.3 | 65% | 0.648 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.1 | -34 | 175.5 | -93.1 | 80.4 | 0 | 0 | 0 | 112.8 | Q288 G294 T296 | Q288-W292 WeakPolarHBondContact O-CB 3.38Å; Q288-W292 PolarHBondContact O-N 3.29Å; W292-G294 VanDerWaalsContact C-N 3.34Å; W292-T296 HydrophobicContact CE3-CG2 4.15Å; W292-T296 WeakPolarHBondContact O-CB 3.45Å; W292-T296 WeakPolarHBondContact O-CG2 3.23Å; W292-T296 PolarHBondContact O-N 2.86Å; W292-T296 VanDerWaalsContact O-N 3.07Å; W292-T296 PolarHBondContact O-OG1 2.89Å |
| 293 | S | 78 | Confident | 78.6 | Confident | 49 Ų | 49 | 103.4 Ų | 103.4 | 34% | 0.343 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74 | -20.5 | 176.6 | 81.6 | 0 | 0 | 0 | 0 | 114.3 | N289 R290 I291 K297 | N289-S293 VanDerWaalsContact O-CB 3.22Å; N289-S293 WeakPolarHBondContact O-CB 3.47Å; N289-S293 PolarHBondContact O-N 3.13Å; N289-S293 PolarHBondContact O-OG 2.96Å; R290-S293 WeakPolarHBondContact CA-OG 3.44Å; R290-S293 PolarHBondContact O-N 3.08Å; R290-S293 PolarHBondContact O-OG 3.09Å; I291-S293 PolarHBondContact O-N 3.46Å; S293-K297 VanDerWaalsContact O-CD 3.28Å; S293-K297 WeakPolarHBondContact O-CD 3.07Å; S293-K297 WeakPolarHBondContact O-CG 3.47Å |
| 294 | G | 77.5 | Confident | 78.6 | Confident | 27 Ų | 27 | 104.8 Ų | 104.8 | 28% | 0.278 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.3 | -66.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | R290 I291 W292 T296 K297 D298 | R290-G294 PolarHBondContact O-N 3.46Å; I291-G294 PolarHBondContact O-N 2.84Å; W292-G294 VanDerWaalsContact C-N 3.34Å; G294-T296 PolarHBondContact O-N 3.12Å; G294-K297 WeakPolarHBondContact O-CA 3.46Å; G294-K297 WeakPolarHBondContact O-CB 3.4Å; G294-K297 PolarHBondContact O-N 3.32Å; G294-D298 VanDerWaalsContact O-CG 3.24Å; G294-D298 PolarHBondContact O-N 3.09Å; G294-D298 VanDerWaalsContact O-OD2 3.05Å |
| 295 | V | 75.9 | Confident | 78.5 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -48.1 | -40.6 | -178.6 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | I291 V299 | I291-V295 PolarHBondContact O-N 2.83Å; I291-V295 VanDerWaalsContact O-N 3.13Å; V295-V299 WeakPolarHBondContact O-CB 3.18Å; V295-V299 VanDerWaalsContact O-CG2 3.29Å; V295-V299 WeakPolarHBondContact O-CG2 3.08Å; V295-V299 PolarHBondContact O-N 3.37Å; V295-V299 VanDerWaalsContact O-N 3.15Å |
| 296 | T | 79.1 | Confident | 78.1 | Confident | 78 Ų | 78 | 106.4 Ų | 106.4 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -76.2 | -24.1 | 178.2 | 53.3 | 0 | 0 | 0 | 0 | 115 | W292 G294 G300 | W292-T296 HydrophobicContact CE3-CG2 4.15Å; W292-T296 WeakPolarHBondContact O-CB 3.45Å; W292-T296 WeakPolarHBondContact O-CG2 3.23Å; W292-T296 PolarHBondContact O-N 2.86Å; W292-T296 VanDerWaalsContact O-N 3.07Å; W292-T296 PolarHBondContact O-OG1 2.89Å; G294-T296 PolarHBondContact O-N 3.12Å; T296-G300 PolarHBondContact O-N 3.46Å |
| 297 | K | 77.3 | Confident | 77.9 | Confident | 133 Ų | 133 | 108.4 Ų | 108.4 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.2 | -41.3 | 168.8 | -76.8 | 172.4 | -175 | 178 | 0 | 111.3 | S293 G294 G300 Y301 | S293-K297 VanDerWaalsContact O-CD 3.28Å; S293-K297 WeakPolarHBondContact O-CD 3.07Å; S293-K297 WeakPolarHBondContact O-CG 3.47Å; G294-K297 WeakPolarHBondContact O-CA 3.46Å; G294-K297 WeakPolarHBondContact O-CB 3.4Å; G294-K297 PolarHBondContact O-N 3.32Å; K297-G300 CarbonylContact O-C 3.53Å; K297-G300 VanDerWaalsContact O-CA 3.29Å; K297-G300 WeakPolarHBondContact O-CA 3.22Å; K297-G300 PolarHBondContact O-N 3.46Å; K297-Y301 PolarHBondContact O-N 3.49Å |
| 298 | D | 76.9 | Confident | 78 | Confident | 96 Ų | 96 | 110.4 Ų | 110.4 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -46.4 | -175.9 | -51 | -33.2 | 0 | 0 | 0 | 110.2 | G294 G300 Y301 L302 | G294-D298 VanDerWaalsContact O-CG 3.24Å; G294-D298 PolarHBondContact O-N 3.09Å; G294-D298 VanDerWaalsContact O-OD2 3.05Å; D298-G300 PolarHBondContact O-N 2.82Å; D298-Y301 PolarHBondContact O-N 2.83Å; D298-L302 PolarHBondContact O-N 3.44Å |
| 299 | V | 79 | Confident | 77.6 | Confident | 91 Ų | 91 | 111.3 Ų | 111.3 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.9 | -33.6 | 168.3 | 172.1 | 0 | 0 | 0 | 0 | 112 | V295 R303 | V295-V299 WeakPolarHBondContact O-CB 3.18Å; V295-V299 VanDerWaalsContact O-CG2 3.29Å; V295-V299 WeakPolarHBondContact O-CG2 3.08Å; V295-V299 PolarHBondContact O-N 3.37Å; V295-V299 VanDerWaalsContact O-N 3.15Å; V299-R303 WeakPolarHBondContact O-CB 3.3Å; V299-R303 PolarHBondContact O-N 2.96Å; V299-R303 VanDerWaalsContact O-N 3.12Å |
| 300 | G | 79.3 | Confident | 76.9 | Confident | 33 Ų | 33 | 115 Ų | 115 | 34% | 0.34 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | T296 K297 D298 R303 R304 | T296-G300 PolarHBondContact O-N 3.46Å; K297-G300 CarbonylContact O-C 3.53Å; K297-G300 VanDerWaalsContact O-CA 3.29Å; K297-G300 WeakPolarHBondContact O-CA 3.22Å; K297-G300 PolarHBondContact O-N 3.46Å; D298-G300 PolarHBondContact O-N 2.82Å; G300-R303 PolarHBondContact O-N 3.19Å; G300-R304 PolarHBondContact O-N 2.6Å; G300-R304 VanDerWaalsContact O-N 3.15Å |
| 301 | Y | 79.6 | Confident | 76.1 | Confident | 148 Ų | 148 | 113.8 Ų | 113.8 | 58% | 0.58 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.5 | -46.3 | 175.7 | -91.2 | -72 | 0 | 0 | 0 | 111.8 | K297 D298 R303 R304 M305 | K297-Y301 PolarHBondContact O-N 3.49Å; D298-Y301 PolarHBondContact O-N 2.83Å; Y301-R303 PolarHBondContact O-N 2.76Å; Y301-R304 PolarHBondContact O-N 3.15Å; Y301-M305 PolarHBondContact O-N 3.18Å |
| 302 | L | 77.5 | Confident | 75.3 | Confident | 126 Ų | 126 | 114.6 Ų | 114.6 | 66% | 0.66 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -50.7 | -44.9 | 171.2 | -99.9 | 159.4 | 0 | 0 | 0 | 111.5 | D298 R304 L306 | D298-L302 PolarHBondContact O-N 3.44Å; L302-R304 PolarHBondContact O-N 3.09Å; L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 PolarHBondContact O-N 3.45Å; L302-L306 VanDerWaalsContact O-N 3.09Å |
| 303 | R | 81.8 | Confident | 74.5 | Confident | 192 Ų | 192 | 114.4 Ų | 114.4 | 73% | 0.725 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.5 | -30 | 178 | -167.8 | 175.9 | -176.8 | -161.4 | -0.1 | 113.9 | V299 G300 Y301 N307 | V299-R303 WeakPolarHBondContact O-CB 3.3Å; V299-R303 PolarHBondContact O-N 2.96Å; V299-R303 VanDerWaalsContact O-N 3.12Å; G300-R303 PolarHBondContact O-N 3.19Å; Y301-R303 PolarHBondContact O-N 2.76Å; R303-N307 PolarHBondContact O-N 3.43Å |
| 304 | R | 81 | Confident | 73.5 | Confident | 128 Ų | 128 | 117.4 Ų | 117.4 | 48% | 0.483 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.1 | -49.8 | 173.9 | -80.1 | -169.5 | 178.8 | 134.7 | -1.8 | 111.8 | G300 Y301 L302 L306 N307 E308 | G300-R304 PolarHBondContact O-N 2.6Å; G300-R304 VanDerWaalsContact O-N 3.15Å; Y301-R304 PolarHBondContact O-N 3.15Å; L302-R304 PolarHBondContact O-N 3.09Å; R304-L306 VanDerWaalsContact C-N 3.27Å; R304-L306 PolarHBondContact O-N 3.26Å; R304-N307 WeakPolarHBondContact O-CB 3.15Å; R304-N307 PolarHBondContact O-N 3.04Å; R304-E308 PolarHBondContact O-N 2.66Å |
| 305 | M | 77.2 | Confident | 72.5 | Confident | 139 Ų | 139 | 124.7 Ų | 124.7 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -54.3 | -45.2 | 176.6 | -75.8 | -168.5 | 178 | 0 | 0 | 111.6 | Y301 N307 E308 L309 | Y301-M305 PolarHBondContact O-N 3.18Å; M305-N307 VanDerWaalsContact C-N 3.27Å; M305-N307 PolarHBondContact O-N 2.93Å; M305-E308 PolarHBondContact O-N 3.49Å; M305-L309 VanDerWaalsContact O-CB 3.27Å; M305-L309 WeakPolarHBondContact O-CB 3.18Å; M305-L309 PolarHBondContact O-N 2.84Å |
| 306 | L | 75.1 | Confident | 71.7 | Confident | 122 Ų | 122 | 123.7 Ų | 123.7 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.7 | -34.5 | 179 | -154 | 83.5 | 0 | 0 | 0 | 112.8 | L302 R304 Y310 | L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 PolarHBondContact O-N 3.45Å; L302-L306 VanDerWaalsContact O-N 3.09Å; R304-L306 VanDerWaalsContact C-N 3.27Å; R304-L306 PolarHBondContact O-N 3.26Å; L306-Y310 PolarHBondContact O-N 3.32Å |
| 307 | N | 76.6 | Confident | 70.8 | Confident | 99 Ų | 99 | 122.5 Ų | 122.5 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.9 | -43.9 | 177.6 | -108.1 | 37.9 | 0 | 0 | 0 | 112.3 | R303 R304 M305 Y310 I311 | R303-N307 PolarHBondContact O-N 3.43Å; R304-N307 WeakPolarHBondContact O-CB 3.15Å; R304-N307 PolarHBondContact O-N 3.04Å; M305-N307 VanDerWaalsContact C-N 3.27Å; M305-N307 PolarHBondContact O-N 2.93Å; N307-Y310 WeakPolarHBondContact O-CB 3.23Å; N307-Y310 PolarHBondContact O-N 2.89Å; N307-I311 WeakPolarHBondContact O-CG1 3.33Å; N307-I311 PolarHBondContact O-N 3.28Å; N307-I311 VanDerWaalsContact O-N 3.1Å |
| 308 | E | 77.7 | Confident | 70.2 | Confident | 121 Ų | 121 | 119.6 Ų | 119.6 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66 | -41.7 | 179.6 | -72.6 | 174.1 | -164.9 | 0 | 0 | 111.3 | R304 M305 Y310 I311 L312 | R304-E308 PolarHBondContact O-N 2.66Å; M305-E308 PolarHBondContact O-N 3.49Å; E308-Y310 PolarHBondContact O-N 3.27Å; E308-I311 PolarHBondContact O-N 2.85Å; E308-I311 VanDerWaalsContact O-N 3.15Å; E308-L312 PolarHBondContact O-N 3.15Å; E308-L312 VanDerWaalsContact O-N 3.1Å |
| 309 | L | 68.9 | Low | 69.4 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.4 | -28.7 | 172.8 | -170.4 | 67.7 | 0 | 0 | 0 | 112.8 | M305 | M305-L309 VanDerWaalsContact O-CB 3.27Å; M305-L309 WeakPolarHBondContact O-CB 3.18Å; M305-L309 PolarHBondContact O-N 2.84Å |
| 310 | Y | 67.1 | Low | 68.3 | Low | 187 Ų | 187 | 120.9 Ų | 120.9 | 73% | 0.733 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.4 | -32.9 | 176.6 | -139.9 | -83.2 | 0 | 0 | 0 | 112.9 | L306 N307 E308 | L306-Y310 PolarHBondContact O-N 3.32Å; N307-Y310 WeakPolarHBondContact O-CB 3.23Å; N307-Y310 PolarHBondContact O-N 2.89Å; E308-Y310 PolarHBondContact O-N 3.27Å |
| 311 | I | 64 | Low | 67.2 | Low | 129 Ų | 129 | 125.3 Ų | 125.3 | 66% | 0.662 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -79.8 | -32.3 | -177 | -70.8 | 167.8 | 0 | 0 | 0 | 112.1 | N307 E308 K313 | N307-I311 WeakPolarHBondContact O-CG1 3.33Å; N307-I311 PolarHBondContact O-N 3.28Å; N307-I311 VanDerWaalsContact O-N 3.1Å; E308-I311 PolarHBondContact O-N 2.85Å; E308-I311 VanDerWaalsContact O-N 3.15Å; I311-K313 PolarHBondContact O-N 3.21Å |
| 312 | L | 57.8 | Low | 65.4 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -4.4 | 177.5 | -75.6 | 167.3 | 0 | 0 | 0 | 114.5 | E308 V314 | E308-L312 PolarHBondContact O-N 3.15Å; E308-L312 VanDerWaalsContact O-N 3.1Å; L312-V314 PolarHBondContact O-N 2.76Å |
| 313 | K | 57.1 | Low | 63.9 | Low | 166 Ų | 166 | 126 Ų | 126 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -19.3 | -165 | -160.2 | 159.5 | -173.4 | 167.6 | 0 | 115.7 | I311 | I311-K313 PolarHBondContact O-N 3.21Š|
| 314 | V | 56.5 | Low | 61.9 | Low | 112 Ų | 112 | 121.1 Ų | 121.1 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | trans | -150 | 129.9 | 174 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | L312 | L312-V314 PolarHBondContact O-N 2.76Š| ||
| 315 | K | 57.7 | Low | 60 | Low | 181 Ų | 181 | 124.6 Ų | 124.6 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | trans | -138.6 | 124.2 | 158.5 | -87.2 | -173.1 | 173.5 | -178 | 0 | 108.9 | ||||
| 316 | P | 58.9 | Low | 58.4 | Low | 61 Ų | 61 | 124 Ų | 124 | 40% | 0.396 | 64% | 0.64 | S | S | . | * | trans | -74.4 | 150.2 | 174.9 | 31 | -34.2 | 0 | 0 | 0 | 112 | Y318 L380 T385 | P316-Y318 HydrophobicContact CB-CE2 4.07Å; P316-Y318 HydrophobicContact CG-CE2 3.87Å; P316-L380 HydrophobicContact CB-CD1 3.83Å; P316-L380 HydrophobicContact CB-CG 4.22Å; P316-T385 HydrophobicContact CB-CG2 4.43Å | ||
| 317 | V | 59.7 | Low | 57 | Low | 54 Ų | 54 | 126.2 Ų | 126.2 | 33% | 0.327 | 65% | 0.651 | S | S | . | * | trans | -112.4 | 135.6 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 108 | D381 K384 T385 | V317-D381 PolarHBondContact O-N 3.1Å; V317-K384 HydrophobicContact CB-CB 4.23Å; V317-K384 HydrophobicContact CG1-CB 4.02Å; V317-T385 PolarHBondContact N-OG1 3.25Å; V317-T385 PolarHBondContact O-OG1 3.06Å | ||
| 318 | Y | 65.2 | Low | 55.7 | Low | 72 Ų | 72 | 127.4 Ų | 127.4 | 28% | 0.282 | 66% | 0.664 | S | S | . | * | B | Isolated β-bridge | trans | -117.2 | 148.2 | 178.5 | -60.3 | -89.4 | 0 | 0 | 0 | 109.7 | P316 K379 L380 | P316-Y318 HydrophobicContact CB-CE2 4.07Å; P316-Y318 HydrophobicContact CG-CE2 3.87Å; Y318-K379 WeakPolarHBondContact CA-O 3.22Å; Y318-K379 HydrophobicContact CD1-CB 4.21Å; Y318-L380 HydrophobicContact CD1-CB 4.08Å; Y318-L380 HydrophobicContact CE1-CB 3.96Å; Y318-L380 HydrophobicContact CE1-CD1 4.31Å; Y318-L380 HydrophobicContact CE1-CG 4.27Å |
| 319 | T | 60.7 | Low | 54 | Low | 66 Ų | 66 | 133 Ų | 133 | 41% | 0.405 | 68% | 0.68 | S | S | . | * | trans | -89.7 | 119.2 | 168.1 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | K379 D381 | T319-K379 PolarHBondContact N-O 3.35Å; T319-D381 HydrophobicContact CG2-CB 3.97Å; T319-D381 WeakPolarHBondContact CG2-OD2 3.3Å | ||
| 320 | D | 55.9 | Low | 53.1 | Low | 148 Ų | 148 | 131.4 Ų | 131.4 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -74.3 | 153.4 | 160.6 | -71.6 | -48.7 | 0 | 0 | 0 | 110.5 | ||||
| 321 | V | 54.7 | Low | 52.3 | Low | 125 Ų | 125 | 130.2 Ų | 130.2 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | trans | -104.1 | 116.8 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | I323 | V321-I323 PolarHBondContact O-N 3.07Š| ||
| 322 | D | 42.9 | Very low | 51.9 | Low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | -65.7 | 98.1 | -177.1 | -76.3 | -48.1 | 0 | 0 | 0 | 112.5 | ||||
| 323 | I | 45.6 | Very low | 51.8 | Low | 124 Ų | 124 | 129 Ų | 129 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | -97.3 | 93.3 | 167.8 | -56.3 | -179.6 | 0 | 0 | 0 | 108.5 | V321 Y325 | V321-I323 PolarHBondContact O-N 3.07Å; I323-Y325 HydrophobicContact CB-CE2 4.32Å; I323-Y325 HydrophobicContact CG2-CD2 4.06Å; I323-Y325 HydrophobicContact CG2-CE2 3.56Å; I323-Y325 WeakPolarHBondContact O-CD2 3.39Å; I323-Y325 PolarHBondContact O-N 3.48Å; I323-Y325 VanDerWaalsContact O-N 3.1Å | ||
| 324 | A | 38.9 | Very low | 51.7 | Low | 89 Ų | 89 | 125.9 Ų | 125.9 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -73 | 97.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T326 | A324-T326 PolarHBondContact O-N 3.31Š| ||
| 325 | Y | 41.8 | Very low | 51.4 | Low | 202 Ų | 202 | 126.4 Ų | 126.4 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | trans | -81 | 92.8 | 173.2 | -78 | -82.6 | 0 | 0 | 0 | 112.4 | I323 | I323-Y325 HydrophobicContact CB-CE2 4.32Å; I323-Y325 HydrophobicContact CG2-CD2 4.06Å; I323-Y325 HydrophobicContact CG2-CE2 3.56Å; I323-Y325 WeakPolarHBondContact O-CD2 3.39Å; I323-Y325 PolarHBondContact O-N 3.48Å; I323-Y325 VanDerWaalsContact O-N 3.1Å | ||
| 326 | T | 43.9 | Very low | 51.1 | Low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | trans | -87.5 | 109.1 | 170.2 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | A324 | A324-T326 PolarHBondContact O-N 3.31Š| ||
| 327 | L | 46.2 | Very low | 51.1 | Low | 168 Ų | 168 | 125.7 Ų | 125.7 | 88% | 0.88 | 70% | 0.702 | S | S | * | * | trans | -100.6 | 116.2 | 173.2 | -82.2 | 165.6 | 0 | 0 | 0 | 111.1 | ||||
| 328 | P | 47.6 | Very low | 50.9 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -78.5 | 155.1 | -179.3 | 32.2 | -35.1 | 0 | 0 | 0 | 112.7 | ||||
| 329 | R | 43.2 | Very low | 50.4 | Low | 237 Ų | 237 | 134.8 Ų | 134.8 | 89% | 0.894 | 74% | 0.739 | S | S | * | * | trans | -110.5 | 126 | -177.2 | -166.6 | 179.5 | -170.6 | 176.3 | 2.7 | 110.3 | ||||
| 330 | S | 50.4 | Low | 49.8 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -103.8 | 131.8 | -176 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | S332 | S330-S332 PolarHBondContact O-N 2.87Å; S330-S332 VanDerWaalsContact O-N 3.16Å | ||
| 331 | N | 50.3 | Low | 49.5 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -89.3 | 54.8 | -171.9 | -70.2 | -17.6 | 0 | 0 | 0 | 113.5 | ||
| 332 | S | 54.7 | Low | 49.2 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -145.7 | 27.7 | -171.1 | 70.4 | 0 | 0 | 0 | 0 | 116.8 | S330 | S330-S332 PolarHBondContact O-N 2.87Å; S330-S332 VanDerWaalsContact O-N 3.16Å | ||
| 333 | C | 55.8 | Low | 49.7 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -138.9 | 111.1 | 176.2 | -165.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 334 | P | 56.1 | Low | 49.6 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | trans | -83.4 | 158.2 | 172.7 | 34.4 | -33.8 | 0 | 0 | 0 | 112.1 | L336 | P334-L336 HydrophobicContact CG-CD1 4.34Š| ||
| 335 | D | 49.2 | Very low | 49.9 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | trans | -77.8 | 128.7 | 179.2 | -173.2 | 2 | 0 | 0 | 0 | 112 | S337 | D335-S337 VanDerWaalsContact CG-OG 3.23Å; D335-S337 WeakPolarHBondContact OD1-CB 3.43Å; D335-S337 PolarHBondContact OD1-N 3.25Å; D335-S337 PolarHBondContact OD1-OG 3.38Å; D335-S337 PolarHBondContact OD2-OG 3.43Å | ||
| 336 | L | 50.8 | Low | 50.2 | Low | 135 Ų | 135 | 140 Ų | 140 | 71% | 0.707 | 77% | 0.767 | S | S | * | * | trans | -108.5 | 7.6 | 176.8 | -89.5 | 80.1 | 0 | 0 | 0 | 113.5 | P334 M338 | P334-L336 HydrophobicContact CG-CD1 4.34Å; L336-M338 PolarHBondContact O-N 3.45Å | ||
| 337 | S | 58.9 | Low | 50.2 | Low | 91 Ų | 91 | 140.3 Ų | 140.3 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -62.1 | -21.5 | -179.8 | 66.2 | 0 | 0 | 0 | 0 | 114 | D335 Y339 | D335-S337 VanDerWaalsContact CG-OG 3.23Å; D335-S337 WeakPolarHBondContact OD1-CB 3.43Å; D335-S337 PolarHBondContact OD1-N 3.25Å; D335-S337 PolarHBondContact OD1-OG 3.38Å; D335-S337 PolarHBondContact OD2-OG 3.43Å; S337-Y339 VanDerWaalsContact C-N 3.27Å; S337-Y339 PolarHBondContact O-N 3.07Å |
| 338 | M | 56.4 | Low | 49.9 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -72.4 | -2.3 | -174.7 | 72.1 | -178.2 | -70.3 | 0 | 0 | 116.4 | L336 | L336-M338 PolarHBondContact O-N 3.45Š|
| 339 | Y | 54.5 | Low | 49.6 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -124.2 | 20.5 | -167.1 | -73 | -58.7 | 0 | 0 | 0 | 117 | S337 | S337-Y339 VanDerWaalsContact C-N 3.27Å; S337-Y339 PolarHBondContact O-N 3.07Å |
| 340 | R | 48.9 | Very low | 49.5 | Very low | 243 Ų | 243 | 140.9 Ų | 140.9 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | trans | -132 | 126 | 171.2 | -74.5 | -171.7 | 178.7 | 159.6 | 2.5 | 114.2 | ||||
| 341 | V | 49.6 | Very low | 49.2 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -96 | 145.1 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 342 | E | 46.8 | Very low | 48.8 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -70.9 | 155.9 | -177.1 | -62.4 | -173.2 | 121 | 0 | 0 | 114.6 | ||||
| 343 | P | 53.1 | Low | 48.1 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -120.6 | 117 | 133 | 33.8 | -26 | 0 | 0 | 0 | 111 | ||||
| 344 | A | 44.3 | Very low | 47.6 | Very low | 84 Ų | 84 | 146.5 Ų | 146.5 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -97.7 | 131.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 345 | P | 46.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -130 | 123.8 | 166.6 | 33 | -15.7 | 0 | 0 | 0 | 115.2 | ||||
| 346 | I | 47.9 | Very low | 46.8 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | 66.7 | 111.4 | 147.8 | -50.2 | 168.5 | 0 | 0 | 0 | 117.8 | S348 | I346-S348 PolarHBondContact O-N 3.32Š| ||
| 347 | P | 43.2 | Very low | 46.7 | Very low | 132 Ų | 132 | 142 Ų | 142 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -78.2 | 109.1 | 176 | 31.2 | -33.7 | 0 | 0 | 0 | 112.8 | ||||
| 348 | S | 41 | Very low | 46.3 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -79.2 | 128.2 | 173.6 | 67 | 0 | 0 | 0 | 0 | 112.3 | I346 K350 | I346-S348 PolarHBondContact O-N 3.32Å; S348-K350 PolarHBondContact O-N 3.05Å | ||
| 349 | R | 39.5 | Very low | 46 | Very low | 223 Ų | 223 | 143.2 Ų | 143.2 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | -75.2 | 91.7 | -173.2 | -176 | -172.6 | -172.7 | -178.3 | 6 | 111.7 | R351 | R349-R351 PolarHBondContact O-N 3.38Š| ||
| 350 | K | 41.7 | Very low | 45.8 | Very low | 211 Ų | 211 | 138 Ų | 138 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | trans | -52.5 | 124.2 | 173.9 | -74 | -171.3 | 176.6 | -178.1 | 0 | 111.2 | S348 | S348-K350 PolarHBondContact O-N 3.05Š| ||
| 351 | R | 43.6 | Very low | 45.9 | Very low | 212 Ų | 212 | 129.2 Ų | 129.2 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | -127.7 | 152.1 | 173.3 | -177.3 | -168.2 | -80.3 | -142.4 | 4.9 | 107.4 | R349 | R349-R351 PolarHBondContact O-N 3.38Š| ||
| 352 | A | 42 | Very low | 46.1 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 76.4 | 141.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | S354 | A352-S354 PolarHBondContact O-N 2.85Š|
| 353 | F | 40.7 | Very low | 46.3 | Very low | 224 Ų | 224 | 124.4 Ų | 124.4 | 98% | 0.982 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -66.4 | 100.8 | 150.1 | -89.3 | -111.4 | 0 | 0 | 0 | 107.3 | ||
| 354 | S | 46 | Very low | 46.1 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | trans | -154.5 | 60.8 | 169.2 | 63 | 0 | 0 | 0 | 0 | 109.9 | A352 | A352-S354 PolarHBondContact O-N 2.85Š| ||
| 355 | V | 44.1 | Very low | 46.2 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | -70.2 | 132.4 | 156.6 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | A357 M359 V360 | V355-A357 PolarHBondContact O-N 3.25Å; V355-M359 HydrophobicContact CG1-CB 4.49Å; V355-V360 HydrophobicContact CG1-CG2 4.38Å | ||
| 356 | C | 43.4 | Very low | 46.3 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 52% | 0.52 | 70% | 0.702 | S | S | . | * | trans | -57.7 | 134.9 | -174.5 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | D358 M359 V360 | C356-D358 PolarHBondContact O-N 3.06Å; C356-M359 PolarHBondContact O-N 3.02Å; C356-M359 VanDerWaalsContact O-N 3.09Å; C356-V360 PolarHBondContact O-N 2.68Å | ||
| 357 | A | 49 | Very low | 45.8 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -56.9 | -33.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V355 M359 V360 A361 | V355-A357 PolarHBondContact O-N 3.25Å; A357-M359 VanDerWaalsContact C-N 3.34Å; A357-M359 PolarHBondContact O-N 2.97Å; A357-V360 CarbonylContact O-C 3.58Å; A357-V360 WeakPolarHBondContact O-CA 3.2Å; A357-V360 PolarHBondContact O-N 3.23Å; A357-A361 PolarHBondContact O-N 2.84Å |
| 358 | D | 51.3 | Low | 45.6 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.8 | -32.1 | -179.4 | -41.9 | -64 | 0 | 0 | 0 | 112.6 | C356 A361 A362 | C356-D358 PolarHBondContact O-N 3.06Å; D358-A361 PolarHBondContact O-N 2.73Å; D358-A362 WeakPolarHBondContact O-CB 3.27Å; D358-A362 PolarHBondContact O-N 2.94Å |
| 359 | M | 49.3 | Very low | 45.6 | Very low | 122 Ų | 122 | 130 Ų | 130 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -71.2 | -33.8 | 171 | -72.9 | -169.3 | 70.7 | 0 | 0 | 112 | V355 C356 A357 A361 Q363 | V355-M359 HydrophobicContact CG1-CB 4.49Å; C356-M359 PolarHBondContact O-N 3.02Å; C356-M359 VanDerWaalsContact O-N 3.09Å; A357-M359 VanDerWaalsContact C-N 3.34Å; A357-M359 PolarHBondContact O-N 2.97Å; M359-A361 VanDerWaalsContact C-N 3.34Å; M359-Q363 VanDerWaalsContact O-CB 3.28Å; M359-Q363 WeakPolarHBondContact O-CB 3.41Å; M359-Q363 PolarHBondContact O-N 2.86Å |
| 360 | V | 50 | Low | 45.9 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -74.4 | -27.8 | 176.5 | -177 | 0 | 0 | 0 | 0 | 111.3 | V355 C356 A357 R364 | V355-V360 HydrophobicContact CG1-CG2 4.38Å; C356-V360 PolarHBondContact O-N 2.68Å; A357-V360 CarbonylContact O-C 3.58Å; A357-V360 WeakPolarHBondContact O-CA 3.2Å; A357-V360 PolarHBondContact O-N 3.23Å; V360-R364 WeakPolarHBondContact O-CG 3.35Å; V360-R364 PolarHBondContact O-N 3.42Å |
| 361 | A | 51.2 | Low | 46 | Very low | 58 Ų | 58 | 119.9 Ų | 119.9 | 48% | 0.479 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68.6 | -53.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A357 D358 M359 Q363 R364 | A357-A361 PolarHBondContact O-N 2.84Å; D358-A361 PolarHBondContact O-N 2.73Å; M359-A361 VanDerWaalsContact C-N 3.34Å; A361-Q363 VanDerWaalsContact C-N 3.28Å; A361-Q363 PolarHBondContact O-N 2.91Å; A361-R364 WeakPolarHBondContact O-CB 3.35Å; A361-R364 PolarHBondContact O-N 3.15Å |
| 362 | A | 54.4 | Low | 46.3 | Very low | 63 Ų | 63 | 116.1 Ų | 116.1 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -58.9 | -37.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D358 R364 E365 | D358-A362 WeakPolarHBondContact O-CB 3.27Å; D358-A362 PolarHBondContact O-N 2.94Å; A362-R364 PolarHBondContact O-N 3.18Å; A362-E365 PolarHBondContact O-N 3.22Å |
| 363 | Q | 50.5 | Low | 46.7 | Very low | 148 Ų | 148 | 115.5 Ų | 115.5 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.8 | -6.3 | 177.6 | -165.3 | 167.3 | 0.3 | 0 | 0 | 113.9 | M359 A361 | M359-Q363 VanDerWaalsContact O-CB 3.28Å; M359-Q363 WeakPolarHBondContact O-CB 3.41Å; M359-Q363 PolarHBondContact O-N 2.86Å; A361-Q363 VanDerWaalsContact C-N 3.28Å; A361-Q363 PolarHBondContact O-N 2.91Å |
| 364 | R | 47.9 | Very low | 47.4 | Very low | 214 Ų | 214 | 111.6 Ų | 111.6 | 81% | 0.808 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.4 | -21 | 171.2 | -82.4 | 175.2 | 166.6 | -171.3 | -4.7 | 113.9 | V360 A361 A362 | V360-R364 WeakPolarHBondContact O-CG 3.35Å; V360-R364 PolarHBondContact O-N 3.42Å; A361-R364 WeakPolarHBondContact O-CB 3.35Å; A361-R364 PolarHBondContact O-N 3.15Å; A362-R364 PolarHBondContact O-N 3.18Å |
| 365 | E | 48.4 | Very low | 48 | Very low | 179 Ų | 179 | 113.1 Ų | 113.1 | 84% | 0.836 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.2 | -21.1 | 176.5 | -61.6 | -174.6 | 145.9 | 0 | 0 | 112 | A362 G367 | A362-E365 PolarHBondContact O-N 3.22Å; E365-G367 PolarHBondContact O-N 3.41Å; E365-G367 VanDerWaalsContact O-N 3.11Å |
| 366 | A | 47.4 | Very low | 48.7 | Very low | 71 Ų | 71 | 110.4 Ų | 110.4 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -78.1 | 89.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | M368 | A366-M368 PolarHBondContact O-N 2.94Š|
| 367 | G | 37.2 | Very low | 49.4 | Very low | 69 Ų | 69 | 112.5 Ų | 112.5 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | trans | -57.2 | 124.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | E365 | E365-G367 PolarHBondContact O-N 3.41Å; E365-G367 VanDerWaalsContact O-N 3.11Å | ||
| 368 | M | 39.2 | Very low | 50.1 | Low | 177 Ų | 177 | 114.3 Ų | 114.3 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | trans | -131.8 | 96.1 | 149.7 | -158.1 | 178.4 | 81.6 | 0 | 0 | 107.2 | A366 H370 | A366-M368 PolarHBondContact O-N 2.94Å; M368-H370 PolarHBondContact O-N 3.45Å | ||
| 369 | V | 41.1 | Very low | 50.7 | Low | 120 Ų | 120 | 112.1 Ų | 112.1 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -74.1 | 110.3 | -164.7 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 370 | H | 46.4 | Very low | 51.4 | Low | 167 Ų | 167 | 108.4 Ų | 108.4 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | trans | -86.5 | 109.9 | 165.2 | -131.1 | -62.4 | 0 | 0 | 0 | 108.3 | M368 N372 | M368-H370 PolarHBondContact O-N 3.45Å; H370-N372 PolarHBondContact O-N 2.93Å; H370-N372 VanDerWaalsContact O-N 3.09Å | ||
| 371 | A | 43.5 | Very low | 52.3 | Low | 55 Ų | 55 | 106 Ų | 106 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | trans | -65 | 109.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 372 | N | 50.1 | Low | 53.2 | Low | 133 Ų | 133 | 112.4 Ų | 112.4 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | trans | -88.1 | 118.5 | 166 | -72.2 | -26.8 | 0 | 0 | 0 | 107.9 | H370 D374 | H370-N372 PolarHBondContact O-N 2.93Å; H370-N372 VanDerWaalsContact O-N 3.09Å; N372-D374 VanDerWaalsContact C-N 3.33Å; N372-D374 PolarHBondContact O-N 3.35Å; N372-D374 VanDerWaalsContact O-N 3.17Å | ||
| 373 | S | 49.3 | Very low | 54 | Low | 68 Ų | 68 | 116.9 Ų | 116.9 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | -5.6 | -154.6 | 50.7 | 0 | 0 | 0 | 0 | 117.6 | ||
| 374 | D | 55.1 | Low | 54.9 | Low | 141 Ų | 141 | 114.8 Ų | 114.8 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -18.3 | -167.6 | -64.2 | -6.8 | 0 | 0 | 0 | 113.7 | N372 | N372-D374 VanDerWaalsContact C-N 3.33Å; N372-D374 PolarHBondContact O-N 3.35Å; N372-D374 VanDerWaalsContact O-N 3.17Å |
| 375 | T | 59.7 | Low | 55.7 | Low | 123 Ų | 123 | 105.1 Ų | 105.1 | 76% | 0.755 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -18.4 | -180 | 42.6 | 0 | 0 | 0 | 0 | 115 | L377 | T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 2.84Å |
| 376 | E | 58.1 | Low | 56.4 | Low | 57 Ų | 57 | 101.7 Ų | 101.7 | 27% | 0.266 | 56% | 0.556 | S | S | . | * | trans | -93.5 | 22.3 | -178.1 | -57.8 | -135.6 | 130.1 | 0 | 0 | 114 | S378 K379 | E376-S378 PolarHBondContact O-N 3.13Å; E376-K379 PolarHBondContact O-N 2.68Å; E376-K379 VanDerWaalsContact OE1-CE 3.3Å; E376-K379 WeakPolarHBondContact OE1-CE 3.49Å; E376-K379 IonicContact OE1-NZ 2.72Å; E376-K379 PolarHBondContact OE1-NZ 3.4Å; E376-K379 WeakPolarHBondContact OE2-CD 3.19Å; E376-K379 WeakPolarHBondContact OE2-CE 3.19Å; E376-K379 IonicContact OE2-NZ 2.78Å; E376-K379 PolarHBondContact OE2-NZ 3.27Å | ||
| 377 | L | 57.9 | Low | 57.3 | Low | 120 Ų | 120 | 104.4 Ų | 104.4 | 63% | 0.628 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -55.9 | -19.3 | 177.3 | -89.7 | 158.7 | 0 | 0 | 0 | 114.4 | T375 L380 | T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 2.84Å; L377-L380 HydrophobicContact CD2-CD1 4.34Å |
| 378 | S | 64.3 | Low | 58.5 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 79% | 0.79 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -78.7 | -16.6 | 174.6 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | E376 | E376-S378 PolarHBondContact O-N 3.13Š|
| 379 | K | 64.7 | Low | 59.5 | Low | 82 Ų | 82 | 98.7 Ų | 98.7 | 36% | 0.357 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -95.5 | -2.7 | 174.5 | -60.7 | -175.9 | -171.4 | 166.8 | 0 | 113.5 | Y318 T319 E376 D381 | Y318-K379 WeakPolarHBondContact CA-O 3.22Å; Y318-K379 HydrophobicContact CD1-CB 4.21Å; T319-K379 PolarHBondContact N-O 3.35Å; E376-K379 PolarHBondContact O-N 2.68Å; E376-K379 VanDerWaalsContact OE1-CE 3.3Å; E376-K379 WeakPolarHBondContact OE1-CE 3.49Å; E376-K379 IonicContact OE1-NZ 2.72Å; E376-K379 PolarHBondContact OE1-NZ 3.4Å; E376-K379 WeakPolarHBondContact OE2-CD 3.19Å; E376-K379 WeakPolarHBondContact OE2-CE 3.19Å; E376-K379 IonicContact OE2-NZ 2.78Å; E376-K379 PolarHBondContact OE2-NZ 3.27Å; K379-D381 PolarHBondContact O-N 2.74Å |
| 380 | L | 63.2 | Low | 60.6 | Low | 44 Ų | 44 | 98.6 Ų | 98.6 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 109.7 | -176.1 | -169.1 | 159 | 0 | 0 | 0 | 108.8 | P316 Y318 L377 R382 T385 | P316-L380 HydrophobicContact CB-CD1 3.83Å; P316-L380 HydrophobicContact CB-CG 4.22Å; Y318-L380 HydrophobicContact CD1-CB 4.08Å; Y318-L380 HydrophobicContact CE1-CB 3.96Å; Y318-L380 HydrophobicContact CE1-CD1 4.31Å; Y318-L380 HydrophobicContact CE1-CG 4.27Å; L377-L380 HydrophobicContact CD2-CD1 4.34Å; L380-R382 PolarHBondContact O-N 3.47Å; L380-T385 HydrophobicContact CD2-CG2 4.19Å; L380-T385 WeakPolarHBondContact CD2-OG1 3.2Å |
| 381 | D | 68 | Low | 61.6 | Low | 25 Ų | 25 | 93 Ų | 93 | 13% | 0.134 | 50% | 0.497 | C | S | . | . | trans | -71 | 100.4 | 179.2 | -167.2 | -38.5 | 0 | 0 | 0 | 108.5 | V317 T319 K379 E383 K384 T385 | V317-D381 PolarHBondContact O-N 3.1Å; T319-D381 HydrophobicContact CG2-CB 3.97Å; T319-D381 WeakPolarHBondContact CG2-OD2 3.3Å; K379-D381 PolarHBondContact O-N 2.74Å; D381-E383 VanDerWaalsContact C-N 3.31Å; D381-E383 PolarHBondContact O-N 2.94Å; D381-E383 PolarHBondContact OD1-N 3.44Å; D381-K384 HydrophobicContact CB-CB 4.14Å; D381-K384 HydrophobicContact CB-CG 4.49Å; D381-K384 PolarHBondContact OD1-N 3Å; D381-K384 VanDerWaalsContact OD1-N 3.16Å; D381-K384 VanDerWaalsContact OD2-CD 3.3Å; D381-K384 WeakPolarHBondContact OD2-CD 3.29Å; D381-K384 WeakPolarHBondContact OD2-CE 3.38Å; D381-K384 IonicContact OD2-NZ 2.62Å; D381-K384 PolarHBondContact OD2-NZ 3.36Å; D381-T385 WeakPolarHBondContact O-CB 3.19Å; D381-T385 PolarHBondContact O-N 3.12Å; D381-T385 PolarHBondContact O-OG1 3Å | ||
| 382 | R | 70.8 | Confident | 62.4 | Low | 191 Ų | 191 | 96.9 Ų | 96.9 | 72% | 0.721 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.8 | -33.8 | -168 | -161.7 | 171.9 | -176.5 | 138 | -2.4 | 111.6 | L380 F386 | L380-R382 PolarHBondContact O-N 3.47Å; R382-F386 HydrophobicContact CG-CD2 4.09Å; R382-F386 HydrophobicContact CG-CE2 4.11Å; R382-F386 WeakPolarHBondContact O-CD2 3.4Å; R382-F386 PolarHBondContact O-N 2.75Å |
| 383 | E | 70.6 | Confident | 63.2 | Low | 157 Ų | 157 | 98.5 Ų | 98.5 | 73% | 0.734 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.4 | -56 | 177.8 | -64.8 | -179.1 | 168.4 | 0 | 0 | 109.4 | D381 T385 F386 E387 | D381-E383 VanDerWaalsContact C-N 3.31Å; D381-E383 PolarHBondContact O-N 2.94Å; D381-E383 PolarHBondContact OD1-N 3.44Å; E383-T385 PolarHBondContact O-N 3.37Å; E383-F386 CarbonylContact O-C 3.59Å; E383-F386 PolarHBondContact O-N 2.91Å; E383-E387 WeakPolarHBondContact O-CG 3.39Å; E383-E387 PolarHBondContact O-N 3.48Å |
| 384 | K | 69.7 | Low | 64.3 | Low | 105 Ų | 105 | 101.9 Ų | 101.9 | 46% | 0.457 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -31.6 | 179 | -64 | -173.8 | -172.9 | 65.4 | 0 | 113.8 | V317 D381 | V317-K384 HydrophobicContact CB-CB 4.23Å; V317-K384 HydrophobicContact CG1-CB 4.02Å; D381-K384 HydrophobicContact CB-CB 4.14Å; D381-K384 HydrophobicContact CB-CG 4.49Å; D381-K384 PolarHBondContact OD1-N 3Å; D381-K384 VanDerWaalsContact OD1-N 3.16Å; D381-K384 VanDerWaalsContact OD2-CD 3.3Å; D381-K384 WeakPolarHBondContact OD2-CD 3.29Å; D381-K384 WeakPolarHBondContact OD2-CE 3.38Å; D381-K384 IonicContact OD2-NZ 2.62Å; D381-K384 PolarHBondContact OD2-NZ 3.36Å |
| 385 | T | 65.4 | Low | 65.1 | Low | 11 Ų | 11 | 98.9 Ų | 98.9 | 7% | 0.067 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 174.3 | -67.9 | 0 | 0 | 0 | 0 | 112 | P316 V317 L380 D381 E383 | P316-T385 HydrophobicContact CB-CG2 4.43Å; V317-T385 PolarHBondContact N-OG1 3.25Å; V317-T385 PolarHBondContact O-OG1 3.06Å; L380-T385 HydrophobicContact CD2-CG2 4.19Å; L380-T385 WeakPolarHBondContact CD2-OG1 3.2Å; D381-T385 WeakPolarHBondContact O-CB 3.19Å; D381-T385 PolarHBondContact O-N 3.12Å; D381-T385 PolarHBondContact O-OG1 3Å; E383-T385 PolarHBondContact O-N 3.37Å |
| 386 | F | 62.7 | Low | 65.8 | Low | 107 Ų | 107 | 97.1 Ų | 97.1 | 47% | 0.469 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -95.7 | -18.7 | -176.4 | -69.6 | -61.9 | 0 | 0 | 0 | 114.3 | R382 E383 T388 A389 E390 | R382-F386 HydrophobicContact CG-CD2 4.09Å; R382-F386 HydrophobicContact CG-CE2 4.11Å; R382-F386 WeakPolarHBondContact O-CD2 3.4Å; R382-F386 PolarHBondContact O-N 2.75Å; E383-F386 CarbonylContact O-C 3.59Å; E383-F386 PolarHBondContact O-N 2.91Å; F386-T388 PolarHBondContact O-N 3.41Å; F386-A389 HydrophobicContact CD1-CB 4.29Å; F386-A389 CarbonylContact O-C 3.6Å; F386-A389 WeakPolarHBondContact O-CA 3.39Å; F386-A389 WeakPolarHBondContact O-CB 3.45Å; F386-A389 PolarHBondContact O-N 2.85Å; F386-E390 PolarHBondContact O-N 3.49Å |
| 387 | E | 66.6 | Low | 66.7 | Low | 127 Ų | 127 | 98.2 Ų | 98.2 | 59% | 0.593 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -50.5 | -43.3 | 169.6 | -83.3 | -172.1 | 118.5 | 0 | 0 | 111.8 | E383 A389 E390 A391 | E383-E387 WeakPolarHBondContact O-CG 3.39Å; E383-E387 PolarHBondContact O-N 3.48Å; E387-A389 VanDerWaalsContact C-N 3.29Å; E387-A389 PolarHBondContact O-N 3.1Å; E387-E390 PolarHBondContact O-N 3.33Å; E387-A391 WeakPolarHBondContact O-CB 3.44Å; E387-A391 PolarHBondContact O-N 3.5Å |
| 388 | T | 61.6 | Low | 67.6 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 177.2 | -39.4 | 0 | 0 | 0 | 0 | 111.7 | F386 Y392 | F386-T388 PolarHBondContact O-N 3.41Å; T388-Y392 HydrophobicContact CG2-CD2 4.46Å; T388-Y392 HydrophobicContact CG2-CE2 4.45Å; T388-Y392 WeakPolarHBondContact O-CD2 3.33Å; T388-Y392 PolarHBondContact O-N 2.9Å |
| 389 | A | 60.4 | Low | 68.3 | Low | 48 Ų | 48 | 98.1 Ų | 98.1 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.8 | -32.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | F386 E387 Y392 R393 | F386-A389 HydrophobicContact CD1-CB 4.29Å; F386-A389 CarbonylContact O-C 3.6Å; F386-A389 WeakPolarHBondContact O-CA 3.39Å; F386-A389 WeakPolarHBondContact O-CB 3.45Å; F386-A389 PolarHBondContact O-N 2.85Å; E387-A389 VanDerWaalsContact C-N 3.29Å; E387-A389 PolarHBondContact O-N 3.1Å; A389-Y392 PolarHBondContact O-N 3.38Å; A389-R393 WeakPolarHBondContact O-CB 3.35Å; A389-R393 PolarHBondContact O-N 2.74Å |
| 390 | E | 65.5 | Low | 68.8 | Low | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73 | -36.2 | 172.8 | -64.8 | -155.6 | 155 | 0 | 0 | 112.3 | F386 E387 R393 Q394 | F386-E390 PolarHBondContact O-N 3.49Å; E387-E390 PolarHBondContact O-N 3.33Å; E390-R393 CarbonylContact O-C 3.53Å; E390-R393 WeakPolarHBondContact O-CA 3.31Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 2.88Å; E390-R393 VanDerWaalsContact O-N 3.13Å; E390-Q394 WeakPolarHBondContact O-CG 3.39Å; E390-Q394 PolarHBondContact O-N 2.88Å |
| 391 | A | 66.2 | Low | 69.6 | Low | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E387 R393 Q394 T395 | E387-A391 WeakPolarHBondContact O-CB 3.44Å; E387-A391 PolarHBondContact O-N 3.5Å; A391-R393 VanDerWaalsContact C-N 3.34Å; A391-R393 PolarHBondContact O-N 3.37Å; A391-Q394 WeakPolarHBondContact O-CB 3.11Å; A391-Q394 PolarHBondContact O-N 3.21Å; A391-T395 PolarHBondContact O-N 3.19Å |
| 392 | Y | 61.5 | Low | 70.1 | Confident | 136 Ų | 136 | 103.4 Ų | 103.4 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -38 | 170.9 | -87.8 | -65.8 | 0 | 0 | 0 | 112.5 | T388 A389 Q394 T395 T396 | T388-Y392 HydrophobicContact CG2-CD2 4.46Å; T388-Y392 HydrophobicContact CG2-CE2 4.45Å; T388-Y392 WeakPolarHBondContact O-CD2 3.33Å; T388-Y392 PolarHBondContact O-N 2.9Å; A389-Y392 PolarHBondContact O-N 3.38Å; Y392-Q394 VanDerWaalsContact C-N 3.33Å; Y392-Q394 PolarHBondContact O-N 3.22Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.2Å; Y392-T395 PolarHBondContact O-N 3.4Å; Y392-T395 VanDerWaalsContact O-N 3.1Å; Y392-T395 PolarHBondContact O-OG1 3.4Å; Y392-T396 PolarHBondContact O-N 3.21Å; Y392-T396 PolarHBondContact O-OG1 3.16Å |
| 393 | R | 66.5 | Low | 70.4 | Confident | 167 Ų | 167 | 98.1 Ų | 98.1 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -43.3 | 173.7 | -156.2 | 173.4 | -163.2 | 150 | 2.9 | 111.4 | A389 E390 A391 T395 T396 D397 | A389-R393 WeakPolarHBondContact O-CB 3.35Å; A389-R393 PolarHBondContact O-N 2.74Å; E390-R393 CarbonylContact O-C 3.53Å; E390-R393 WeakPolarHBondContact O-CA 3.31Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 2.88Å; E390-R393 VanDerWaalsContact O-N 3.13Å; A391-R393 VanDerWaalsContact C-N 3.34Å; A391-R393 PolarHBondContact O-N 3.37Å; R393-T395 PolarHBondContact O-N 3.1Å; R393-T396 WeakPolarHBondContact CA-OG1 3.05Å; R393-T396 PolarHBondContact O-N 3.05Å; R393-T396 PolarHBondContact O-OG1 2.86Å; R393-D397 VanDerWaalsContact O-CB 3.3Å; R393-D397 WeakPolarHBondContact O-CB 3.13Å; R393-D397 VanDerWaalsContact O-CG 3.29Å; R393-D397 PolarHBondContact O-N 3.35Å |
| 394 | Q | 72.7 | Confident | 70.8 | Confident | 139 Ų | 139 | 95.5 Ų | 95.5 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 171.4 | -71 | -178.8 | 20.4 | 0 | 0 | 111.5 | E390 A391 Y392 T396 D397 L398 | E390-Q394 WeakPolarHBondContact O-CG 3.39Å; E390-Q394 PolarHBondContact O-N 2.88Å; A391-Q394 WeakPolarHBondContact O-CB 3.11Å; A391-Q394 PolarHBondContact O-N 3.21Å; Y392-Q394 VanDerWaalsContact C-N 3.33Å; Y392-Q394 PolarHBondContact O-N 3.22Å; Q394-T396 PolarHBondContact O-N 3.18Å; Q394-D397 PolarHBondContact O-N 3.36Å; Q394-L398 WeakPolarHBondContact O-CB 3.45Å; Q394-L398 PolarHBondContact O-N 3.04Å |
| 395 | T | 72.2 | Confident | 71 | Confident | 78 Ų | 78 | 93 Ų | 93 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 175.3 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | A391 Y392 R393 L398 L399 | A391-T395 PolarHBondContact O-N 3.19Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.2Å; Y392-T395 PolarHBondContact O-N 3.4Å; Y392-T395 VanDerWaalsContact O-N 3.1Å; Y392-T395 PolarHBondContact O-OG1 3.4Å; R393-T395 PolarHBondContact O-N 3.1Å; T395-L398 PolarHBondContact O-N 3.06Å; T395-L399 WeakPolarHBondContact O-CB 3.31Å; T395-L399 PolarHBondContact O-N 3.47Å |
| 396 | T | 73.8 | Confident | 71.2 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.9 | -33.7 | 175.5 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | Y392 R393 Q394 A400 | Y392-T396 PolarHBondContact O-N 3.21Å; Y392-T396 PolarHBondContact O-OG1 3.16Å; R393-T396 WeakPolarHBondContact CA-OG1 3.05Å; R393-T396 PolarHBondContact O-N 3.05Å; R393-T396 PolarHBondContact O-OG1 2.86Å; Q394-T396 PolarHBondContact O-N 3.18Å; T396-A400 WeakPolarHBondContact O-CB 3.36Å; T396-A400 PolarHBondContact O-N 2.85Å |
| 397 | D | 76.7 | Confident | 71.3 | Confident | 81 Ų | 81 | 97 Ų | 97 | 43% | 0.433 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.7 | -29 | 173.5 | -73.8 | -16.1 | 0 | 0 | 0 | 111.5 | R393 Q394 K401 | R393-D397 VanDerWaalsContact O-CB 3.3Å; R393-D397 WeakPolarHBondContact O-CB 3.13Å; R393-D397 VanDerWaalsContact O-CG 3.29Å; R393-D397 PolarHBondContact O-N 3.35Å; Q394-D397 PolarHBondContact O-N 3.36Å; D397-K401 WeakPolarHBondContact O-CB 3.48Å; D397-K401 WeakPolarHBondContact O-CD 3.29Å; D397-K401 WeakPolarHBondContact O-CG 3.49Å; D397-K401 PolarHBondContact O-N 2.94Å |
| 398 | L | 76.9 | Confident | 71 | Confident | 113 Ų | 113 | 96 Ų | 96 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.5 | -42.1 | 172.4 | -161.4 | 161 | 0 | 0 | 0 | 109.9 | Q394 T395 K401 V402 | Q394-L398 WeakPolarHBondContact O-CB 3.45Å; Q394-L398 PolarHBondContact O-N 3.04Å; T395-L398 PolarHBondContact O-N 3.06Å; L398-K401 CarbonylContact O-C 3.57Å; L398-K401 PolarHBondContact O-N 3.48Å; L398-V402 HydrophobicContact CD2-CG2 3.99Å; L398-V402 WeakPolarHBondContact O-CB 3.43Å; L398-V402 WeakPolarHBondContact O-CG2 3.23Å; L398-V402 PolarHBondContact O-N 3.07Å |
| 399 | L | 77.8 | Confident | 70.6 | Confident | 117 Ų | 117 | 97 Ų | 97 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -37.4 | 172.5 | -166.2 | 144.7 | 0 | 0 | 0 | 111.5 | T395 V402 V403 | T395-L399 WeakPolarHBondContact O-CB 3.31Å; T395-L399 PolarHBondContact O-N 3.47Å; L399-V402 PolarHBondContact O-N 3.39Å; L399-V403 HydrophobicContact CD2-CG2 4.07Å; L399-V403 WeakPolarHBondContact O-CB 3.43Å; L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.38Å |
| 400 | A | 77.1 | Confident | 70 | Confident | 42 Ų | 42 | 103.5 Ų | 103.5 | 35% | 0.347 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.8 | -34.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | T396 N404 | T396-A400 WeakPolarHBondContact O-CB 3.36Å; T396-A400 PolarHBondContact O-N 2.85Å; A400-N404 WeakPolarHBondContact O-CB 3.49Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 2.86Å |
| 401 | K | 79.1 | Confident | 69.3 | Low | 150 Ų | 150 | 102.6 Ų | 102.6 | 65% | 0.652 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.3 | -29.8 | 169.6 | -80.5 | 166.1 | -178.4 | 171.5 | 0 | 112.5 | D397 L398 A405 | D397-K401 WeakPolarHBondContact O-CB 3.48Å; D397-K401 WeakPolarHBondContact O-CD 3.29Å; D397-K401 WeakPolarHBondContact O-CG 3.49Å; D397-K401 PolarHBondContact O-N 2.94Å; L398-K401 CarbonylContact O-C 3.57Å; L398-K401 PolarHBondContact O-N 3.48Å; K401-A405 WeakPolarHBondContact O-CA 3.16Å; K401-A405 WeakPolarHBondContact O-CB 3.43Å; K401-A405 PolarHBondContact O-N 3.06Å |
| 402 | V | 77.8 | Confident | 68.6 | Low | 71 Ų | 71 | 105.8 Ų | 105.8 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -77.3 | -41.6 | 174.2 | 166.3 | 0 | 0 | 0 | 0 | 111 | L398 L399 A405 L406 | L398-V402 HydrophobicContact CD2-CG2 3.99Å; L398-V402 WeakPolarHBondContact O-CB 3.43Å; L398-V402 WeakPolarHBondContact O-CG2 3.23Å; L398-V402 PolarHBondContact O-N 3.07Å; L399-V402 PolarHBondContact O-N 3.39Å; V402-A405 PolarHBondContact O-N 3.28Å; V402-L406 HydrophobicContact CG1-CD1 4.03Å; V402-L406 WeakPolarHBondContact O-CB 3.27Å; V402-L406 VanDerWaalsContact O-CG 3.32Å; V402-L406 WeakPolarHBondContact O-CG 3.26Å; V402-L406 PolarHBondContact O-N 2.9Å |
| 403 | V | 77.2 | Confident | 67.9 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 49% | 0.485 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.5 | -43.3 | 172 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L399 L406 A407 | L399-V403 HydrophobicContact CD2-CG2 4.07Å; L399-V403 WeakPolarHBondContact O-CB 3.43Å; L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.38Å; V403-L406 PolarHBondContact O-N 3.25Å; V403-A407 VanDerWaalsContact O-CB 3.32Å; V403-A407 WeakPolarHBondContact O-CB 3.24Å; V403-A407 PolarHBondContact O-N 3.35Å |
| 404 | N | 78.7 | Confident | 66.5 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 171.6 | -78.9 | -2.9 | 0 | 0 | 0 | 111.2 | A400 L406 A407 T408 | A400-N404 WeakPolarHBondContact O-CB 3.49Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 2.86Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.03Å; N404-A407 CarbonylContact O-C 3.49Å; N404-A407 PolarHBondContact O-N 3.4Å; N404-A407 VanDerWaalsContact O-N 3.15Å; N404-T408 WeakPolarHBondContact O-CB 3.39Å; N404-T408 WeakPolarHBondContact O-CG2 3.46Å; N404-T408 PolarHBondContact O-N 3.37Å; N404-T408 PolarHBondContact O-OG1 2.78Å |
| 405 | A | 74.8 | Confident | 64.9 | Low | 53 Ų | 53 | 103.9 Ų | 103.9 | 44% | 0.438 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.7 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | K401 V402 T408 V409 | K401-A405 WeakPolarHBondContact O-CA 3.16Å; K401-A405 WeakPolarHBondContact O-CB 3.43Å; K401-A405 PolarHBondContact O-N 3.06Å; V402-A405 PolarHBondContact O-N 3.28Å; A405-T408 WeakPolarHBondContact CA-OG1 3.35Å; A405-T408 CarbonylContact O-C 3.54Å; A405-T408 VanDerWaalsContact O-C 3.3Å; A405-T408 PolarHBondContact O-N 3.07Å; A405-T408 PolarHBondContact O-OG1 3.29Å; A405-V409 WeakPolarHBondContact O-CG2 3.46Å; A405-V409 PolarHBondContact O-N 2.91Å |
| 406 | L | 69.1 | Low | 63.2 | Low | 121 Ų | 121 | 107.7 Ų | 107.7 | 63% | 0.634 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.8 | -41.3 | 173 | -77.3 | 163.2 | 0 | 0 | 0 | 112.2 | V402 V403 N404 T408 V409 | V402-L406 HydrophobicContact CG1-CD1 4.03Å; V402-L406 WeakPolarHBondContact O-CB 3.27Å; V402-L406 VanDerWaalsContact O-CG 3.32Å; V402-L406 WeakPolarHBondContact O-CG 3.26Å; V402-L406 PolarHBondContact O-N 2.9Å; V403-L406 PolarHBondContact O-N 3.25Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.03Å; L406-T408 VanDerWaalsContact C-N 3.34Å; L406-V409 WeakPolarHBondContact O-CB 3.46Å; L406-V409 PolarHBondContact O-N 3.39Å |
| 407 | A | 64.7 | Low | 61.4 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 66% | 0.661 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.3 | -24.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V403 N404 | V403-A407 VanDerWaalsContact O-CB 3.32Å; V403-A407 WeakPolarHBondContact O-CB 3.24Å; V403-A407 PolarHBondContact O-N 3.35Å; N404-A407 CarbonylContact O-C 3.49Å; N404-A407 PolarHBondContact O-N 3.4Å; N404-A407 VanDerWaalsContact O-N 3.15Å |
| 408 | T | 61.8 | Low | 59.5 | Low | 105 Ų | 105 | 115 Ų | 115 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 16.4 | 171.1 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | N404 A405 L406 K410 | N404-T408 WeakPolarHBondContact O-CB 3.39Å; N404-T408 WeakPolarHBondContact O-CG2 3.46Å; N404-T408 PolarHBondContact O-N 3.37Å; N404-T408 PolarHBondContact O-OG1 2.78Å; A405-T408 WeakPolarHBondContact CA-OG1 3.35Å; A405-T408 CarbonylContact O-C 3.54Å; A405-T408 VanDerWaalsContact O-C 3.3Å; A405-T408 PolarHBondContact O-N 3.07Å; A405-T408 PolarHBondContact O-OG1 3.29Å; L406-T408 VanDerWaalsContact C-N 3.34Å; T408-K410 PolarHBondContact O-N 3.05Å |
| 409 | V | 51.6 | Low | 57.4 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 61% | 0.606 | 67% | 0.665 | S | S | * | * | trans | -66.8 | 82.3 | 152 | 178.3 | 0 | 0 | 0 | 0 | 105.2 | A405 L406 P411 | A405-V409 WeakPolarHBondContact O-CG2 3.46Å; A405-V409 PolarHBondContact O-N 2.91Å; L406-V409 WeakPolarHBondContact O-CB 3.46Å; L406-V409 PolarHBondContact O-N 3.39Å; V409-P411 VanDerWaalsContact O-N 3.14Å | ||
| 410 | K | 48.9 | Very low | 55.7 | Low | 185 Ų | 185 | 113.3 Ų | 113.3 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 121.1 | 176.4 | -172.3 | 177.4 | -177.3 | 180 | 0 | 106.1 | T408 | T408-K410 PolarHBondContact O-N 3.05Š|
| 411 | P | 51.3 | Low | 54.4 | Low | 99 Ų | 99 | 119.1 Ų | 119.1 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148.3 | 178.1 | 24 | -33.4 | 0 | 0 | 0 | 108.7 | V409 | V409-P411 VanDerWaalsContact O-N 3.14Š|
| 412 | P | 50.7 | Low | 52.8 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 135.9 | 175.8 | 23.3 | -33.2 | 0 | 0 | 0 | 109 | A414 | P412-A414 PolarHBondContact O-N 2.87Š|
| 413 | P | 46.4 | Very low | 51.1 | Low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137.6 | 178.7 | 25.8 | -33.8 | 0 | 0 | 0 | 109 | E415 | P413-E415 PolarHBondContact O-N 2.91Š|
| 414 | A | 37.8 | Very low | 49.3 | Very low | 86 Ų | 86 | 122.1 Ų | 122.1 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64 | 126.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P412 | P412-A414 PolarHBondContact O-N 2.87Š|
| 415 | E | 37.5 | Very low | 47.7 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 134.2 | 141.9 | -66.6 | 179.5 | 156.9 | 0 | 0 | 106.6 | P413 | P413-E415 PolarHBondContact O-N 2.91Š|
| 416 | Q | 37.6 | Very low | 46.7 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 154.4 | -174.8 | -67.2 | 166.8 | -116.1 | 0 | 0 | 110.3 | ||
| 417 | E | 35.9 | Very low | 46.2 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 65.7 | 126.5 | 179.9 | -62.7 | 130.9 | -133.6 | 0 | 0 | 113.7 | ||||
| 418 | D | 36.7 | Very low | 45.8 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | cis | -133.2 | 144.9 | 10.8 | -84.1 | -48.8 | 0 | 0 | 0 | 113.3 | A420 | D418-A420 VanDerWaalsContact C-N 3.3Å; D418-A420 HydrophobicContact CB-CB 4.46Å; D418-A420 PolarHBondContact O-N 3.38Å | ||
| 419 | A | 32.9 | Very low | 46.2 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 97% | 0.967 | 74% | 0.735 | S | S | * | * | trans | -83.4 | 59.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 420 | A | 42 | Very low | 46.9 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | trans | -141.1 | 35.2 | -163 | 0 | 0 | 0 | 0 | 0 | 117.7 | D418 | D418-A420 VanDerWaalsContact C-N 3.3Å; D418-A420 HydrophobicContact CB-CB 4.46Å; D418-A420 PolarHBondContact O-N 3.38Å | ||
| 421 | L | 49.8 | Very low | 47.9 | Very low | 163 Ų | 163 | 126 Ų | 126 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -144.4 | 15.7 | 177.1 | -142.8 | 70.9 | 0 | 0 | 0 | 119.4 | ||
| 422 | Y | 45.4 | Very low | 48.9 | Very low | 238 Ų | 238 | 126.2 Ų | 126.2 | 93% | 0.933 | 72% | 0.722 | S | S | * | * | trans | -130.6 | 62.6 | 167 | -98.9 | -86.7 | 0 | 0 | 0 | 111.7 | G424 | Y422-G424 PolarHBondContact O-N 2.9Š| ||
| 423 | G | 41.5 | Very low | 49.7 | Very low | 80 Ų | 80 | 124 Ų | 124 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -71.9 | 91.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y425 | G423-Y425 PolarHBondContact O-N 3.09Š| ||
| 424 | G | 40 | Very low | 50.8 | Low | 47 Ų | 47 | 123.9 Ų | 123.9 | 49% | 0.485 | 70% | 0.695 | S | S | . | * | trans | -59.3 | 122 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y422 H426 G427 | Y422-G424 PolarHBondContact O-N 2.9Å; G424-H426 PolarHBondContact O-N 2.94Å; G424-G427 PolarHBondContact O-N 2.92Å | ||
| 425 | Y | 45.3 | Very low | 52.1 | Low | 210 Ų | 210 | 122.9 Ų | 122.9 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 125.8 | 174.3 | -133.6 | -99 | 0 | 0 | 0 | 108.3 | G423 | G423-Y425 PolarHBondContact O-N 3.09Š|
| 426 | H | 53.5 | Low | 53.4 | Low | 156 Ų | 156 | 117.8 Ų | 117.8 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.9 | 5.5 | -168.9 | -49.2 | -72.5 | 0 | 0 | 0 | 118.2 | G424 F428 | G424-H426 PolarHBondContact O-N 2.94Å; H426-F428 HydrophobicContact CB-CD2 4.46Å; H426-F428 WeakPolarHBondContact O-CD2 3.4Å; H426-F428 PolarHBondContact O-N 2.99Å |
| 427 | G | 58 | Low | 54.5 | Low | 69 Ų | 69 | 117.5 Ų | 117.5 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 68.4 | 7.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117 | G424 | G424-G427 PolarHBondContact O-N 2.92Š|
| 428 | F | 58.2 | Low | 55.1 | Low | 122 Ų | 122 | 120.2 Ų | 120.2 | 54% | 0.535 | 67% | 0.674 | S | S | . | * | trans | -95.6 | 144.7 | 168 | -62.8 | -72 | 0 | 0 | 0 | 109.5 | H426 Q432 I433 | H426-F428 HydrophobicContact CB-CD2 4.46Å; H426-F428 WeakPolarHBondContact O-CD2 3.4Å; H426-F428 PolarHBondContact O-N 2.99Å; F428-Q432 HydrophobicContact CB-CB 4.08Å; F428-Q432 HydrophobicContact CD1-CB 4.31Å; F428-I433 HydrophobicContact CB-CD1 4.41Å; F428-I433 HydrophobicContact CB-CG1 3.82Å | ||
| 429 | S | 69.9 | Low | 55.4 | Low | 52 Ų | 52 | 117.2 Ų | 117.2 | 36% | 0.364 | 67% | 0.665 | S | S | . | * | trans | -69.4 | 154.7 | 167.4 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | S431 Q432 I433 | S429-S431 PolarHBondContact O-N 2.84Å; S429-S431 VanDerWaalsContact O-N 3.09Å; S429-S431 PolarHBondContact OG-OG 2.95Å; S429-Q432 VanDerWaalsContact N-OE1 3.11Å; S429-Q432 WeakPolarHBondContact O-CA 3.42Å; S429-Q432 WeakPolarHBondContact O-CB 3.41Å; S429-Q432 PolarHBondContact O-N 3.18Å; S429-Q432 WeakPolarHBondContact OG-CG 3.23Å; S429-Q432 PolarHBondContact OG-N 2.95Å; S429-I433 PolarHBondContact O-N 3.24Å | ||
| 430 | D | 65.5 | Low | 55.3 | Low | 131 Ų | 131 | 121.2 Ų | 121.2 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -53.5 | -34.1 | 174.1 | -67.9 | -15.4 | 0 | 0 | 0 | 112 | I433 L434 | D430-I433 PolarHBondContact O-N 3.07Å; D430-L434 WeakPolarHBondContact O-CB 3.36Å; D430-L434 VanDerWaalsContact O-CG 3.28Å; D430-L434 WeakPolarHBondContact O-CG 3.25Å; D430-L434 PolarHBondContact O-N 3.25Å |
| 431 | S | 69.8 | Low | 55 | Low | 87 Ų | 87 | 123.6 Ų | 123.6 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.4 | -31.5 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | S429 A435 | S429-S431 PolarHBondContact O-N 2.84Å; S429-S431 VanDerWaalsContact O-N 3.09Å; S429-S431 PolarHBondContact OG-OG 2.95Å; S431-A435 WeakPolarHBondContact O-CB 3.22Å; S431-A435 PolarHBondContact O-N 3.28Å |
| 432 | Q | 72.8 | Confident | 54.4 | Low | 103 Ų | 103 | 121.8 Ų | 121.8 | 48% | 0.481 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -77 | -38.4 | 171.6 | -76.4 | 175.5 | -47.5 | 0 | 0 | 111.9 | F428 S429 A435 S436 | F428-Q432 HydrophobicContact CB-CB 4.08Å; F428-Q432 HydrophobicContact CD1-CB 4.31Å; S429-Q432 VanDerWaalsContact N-OE1 3.11Å; S429-Q432 WeakPolarHBondContact O-CA 3.42Å; S429-Q432 WeakPolarHBondContact O-CB 3.41Å; S429-Q432 PolarHBondContact O-N 3.18Å; S429-Q432 WeakPolarHBondContact OG-CG 3.23Å; S429-Q432 PolarHBondContact OG-N 2.95Å; Q432-A435 PolarHBondContact O-N 2.84Å; Q432-S436 PolarHBondContact O-N 3.46Å; Q432-S436 VanDerWaalsContact O-N 3.09Å |
| 433 | I | 68.1 | Low | 54.1 | Low | 73 Ų | 73 | 115.7 Ų | 115.7 | 37% | 0.374 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60.8 | -50.7 | 176 | -62.7 | 173.2 | 0 | 0 | 0 | 109.4 | F428 S429 D430 A435 S436 | F428-I433 HydrophobicContact CB-CD1 4.41Å; F428-I433 HydrophobicContact CB-CG1 3.82Å; S429-I433 PolarHBondContact O-N 3.24Å; D430-I433 PolarHBondContact O-N 3.07Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3.23Å; I433-S436 WeakPolarHBondContact O-CB 3.44Å; I433-S436 PolarHBondContact O-N 3.49Å; I433-S436 VanDerWaalsContact O-N 3.07Å; I433-S436 PolarHBondContact O-OG 2.79Å |
| 434 | L | 68.4 | Low | 54 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 63% | 0.634 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.4 | -33.9 | 176.8 | -70.8 | 169.3 | 0 | 0 | 0 | 113.3 | D430 S436 | D430-L434 WeakPolarHBondContact O-CB 3.36Å; D430-L434 VanDerWaalsContact O-CG 3.28Å; D430-L434 WeakPolarHBondContact O-CG 3.25Å; D430-L434 PolarHBondContact O-N 3.25Å; L434-S436 VanDerWaalsContact C-N 3.3Å; L434-S436 PolarHBondContact O-N 3.27Å |
| 435 | A | 65.9 | Low | 53.9 | Low | 64 Ų | 64 | 124.4 Ų | 124.4 | 53% | 0.529 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -67.1 | -30.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S431 Q432 I433 E437 | S431-A435 WeakPolarHBondContact O-CB 3.22Å; S431-A435 PolarHBondContact O-N 3.28Å; Q432-A435 PolarHBondContact O-N 2.84Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3.23Å; A435-E437 PolarHBondContact O-N 2.9Å |
| 436 | S | 65 | Low | 53.6 | Low | 86 Ų | 86 | 123.1 Ų | 123.1 | 60% | 0.601 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.4 | -25.6 | -175.3 | 76 | 0 | 0 | 0 | 0 | 114.4 | Q432 I433 L434 W438 | Q432-S436 PolarHBondContact O-N 3.46Å; Q432-S436 VanDerWaalsContact O-N 3.09Å; I433-S436 WeakPolarHBondContact O-CB 3.44Å; I433-S436 PolarHBondContact O-N 3.49Å; I433-S436 VanDerWaalsContact O-N 3.07Å; I433-S436 PolarHBondContact O-OG 2.79Å; L434-S436 VanDerWaalsContact C-N 3.3Å; L434-S436 PolarHBondContact O-N 3.27Å; S436-W438 VanDerWaalsContact C-N 3.34Å; S436-W438 PolarHBondContact O-N 3.3Å |
| 437 | E | 59 | Low | 52.9 | Low | 151 Ų | 151 | 121.1 Ų | 121.1 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -8.2 | -177.4 | -62.7 | -165.5 | 153.3 | 0 | 0 | 114.1 | A435 | A435-E437 PolarHBondContact O-N 2.9Š|
| 438 | W | 49.9 | Very low | 52.1 | Low | 226 Ų | 226 | 123.1 Ų | 123.1 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 27.5 | -164.9 | -79.6 | 75.8 | 0 | 0 | 0 | 116.2 | S436 | S436-W438 VanDerWaalsContact C-N 3.34Å; S436-W438 PolarHBondContact O-N 3.3Å |
| 439 | S | 42.5 | Very low | 51.1 | Low | 86 Ų | 86 | 122.4 Ų | 122.4 | 60% | 0.601 | 68% | 0.677 | S | S | * | * | trans | -145.2 | 102.1 | 175.5 | 65.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 440 | F | 31.6 | Very low | 49.5 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 88% | 0.882 | 70% | 0.703 | S | S | * | * | trans | -171 | 93.1 | 145.9 | -104.8 | -62.8 | 0 | 0 | 0 | 112.2 | ||||
| 441 | S | 35.4 | Very low | 48 | Very low | 129 Ų | 129 | 137 Ų | 137 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -168.7 | 25.2 | 162.6 | -86.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 442 | T | 36.5 | Very low | 46.4 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -145 | 160.9 | 158.1 | 59.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 443 | V | 39.3 | Very low | 44.6 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | cis | -135.3 | 145.4 | 10.9 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 444 | N | 39.3 | Very low | 43.3 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | -159.6 | 129.6 | 138.4 | -130 | 7.7 | 0 | 0 | 0 | 110.5 | ||||
| 445 | E | 37.6 | Very low | 41.8 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -80.6 | 153.4 | 178.6 | -68.6 | 157.1 | 99.5 | 0 | 0 | 110.1 | ||||
| 446 | F | 39.5 | Very low | 40.4 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | -173.2 | 162 | 81.3 | -104.1 | -86.3 | 0 | 0 | 0 | 112.9 | |||||
| 447 | T | 37.9 | Very low | 39.1 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | 55.7 | 85.2 | 157.5 | 56.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 448 | S | 41.6 | Very low | 38.2 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | 73.4 | 165.6 | 122.1 | 80.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 449 | P | 38.2 | Very low | 37.8 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | -136.4 | 148.2 | -61 | 38.3 | -23 | 0 | 0 | 0 | 116.6 | |||||
| 450 | R | 35 | Very low | 37.4 | Very low | 242 Ų | 242 | 154.5 Ų | 154.5 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | 51.4 | 123.8 | 143.2 | -66.8 | 177.7 | 169.5 | 156.3 | -1.9 | 121.7 | ||||
| 451 | R | 34.2 | Very low | 37.6 | Very low | 246 Ų | 246 | 153 Ų | 153 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | -127.5 | 143.5 | 123.5 | -79.7 | -165.4 | 174.6 | -155.9 | -2.3 | 110.1 | |||||
| 452 | P | 36.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89 | 162.5 | -167.1 | 35 | -36.8 | 0 | 0 | 0 | 114.6 | ||
| 453 | R | 34.2 | Very low | 37.4 | Very low | 241 Ų | 241 | 156.5 Ų | 156.5 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 123.3 | 169.1 | -169.9 | -178.7 | -163.9 | 161.5 | 3.1 | 108.4 | ||
| 454 | A | 41.5 | Very low | 37.4 | Very low | 100 Ų | 100 | 155.3 Ų | 155.3 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 455 | R | 37.4 | Very low | 37.5 | Very low | 242 Ų | 242 | 152.7 Ų | 152.7 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 165.3 | 165.2 | -72.4 | 179 | 173.9 | 152.7 | -4.2 | 109.3 | ||
| 456 | A | 37.2 | Very low | 37.4 | Very low | 99 Ų | 99 | 157.8 Ų | 157.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 145.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 457 | C | 37.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 160.4 Ų | 160.4 | 86% | 0.858 | 82% | 0.821 | S | S | * | * | trans | -124.8 | 144.6 | 153.2 | -64.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 458 | S | 39.7 | Very low | 37.1 | Very low | 98 Ų | 98 | 163.6 Ų | 163.6 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | -75.2 | 160.2 | 158.3 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 459 | D | 40.7 | Very low | 36.8 | Very low | 152 Ų | 152 | 163.3 Ų | 163.3 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | -178.3 | 161.7 | 105.7 | -83 | -11.4 | 0 | 0 | 0 | 110.4 | |||||
| 460 | F | 34.5 | Very low | 36.7 | Very low | 177 Ų | 177 | 167 Ų | 167 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -87.3 | 148.7 | -174.7 | -109.5 | -121.7 | 0 | 0 | 0 | 111.9 | L462 | F460-L462 HydrophobicContact CD1-CD1 3.5Å; F460-L462 HydrophobicContact CE1-CD1 3.63Å | ||
| 461 | N | 35.1 | Very low | 36.7 | Very low | 169 Ų | 169 | 166.7 Ų | 166.7 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -152.9 | 138.2 | 139.2 | -104.6 | -39.3 | 0 | 0 | 0 | 110.1 | ||||
| 462 | L | 33.9 | Very low | 36.8 | Very low | 133 Ų | 133 | 161 Ų | 161 | 70% | 0.696 | 83% | 0.827 | S | S | * | * | trans | -95 | 141.2 | 175.1 | -95.2 | 70.6 | 0 | 0 | 0 | 109.8 | F460 | F460-L462 HydrophobicContact CD1-CD1 3.5Å; F460-L462 HydrophobicContact CE1-CD1 3.63Å | ||
| 463 | E | 35.3 | Very low | 36.8 | Very low | 196 Ų | 196 | 163.2 Ų | 163.2 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -149.7 | 149.1 | 144.6 | -155.6 | 77.9 | -98.5 | 0 | 0 | 107.3 | ||||
| 464 | A | 38 | Very low | 36.9 | Very low | 86 Ų | 86 | 163 Ų | 163 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | trans | -124.6 | -175.8 | -162.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 465 | P | 41.4 | Very low | 36.8 | Very low | 110 Ų | 110 | 163.7 Ų | 163.7 | 71% | 0.714 | 83% | 0.83 | S | S | * | * | -121.8 | 168.3 | -116.1 | 33.2 | -14.5 | 0 | 0 | 0 | 115.3 | |||||
| 466 | R | 36.1 | Very low | 36.6 | Very low | 251 Ų | 251 | 157.1 Ų | 157.1 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -129.7 | 153.8 | 162.2 | -72.1 | -167.2 | 174.5 | -166.2 | -1.3 | 112.2 | ||||
| 467 | W | 36.3 | Very low | 36.5 | Very low | 238 Ų | 238 | 159.1 Ų | 159.1 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -95.8 | 150.7 | -160.5 | -66.2 | 58.8 | 0 | 0 | 0 | 113.3 | ||||
| 468 | Q | 35.3 | Very low | 36.5 | Very low | 182 Ų | 182 | 159.9 Ų | 159.9 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | -177.8 | 148.4 | 115.8 | -99.2 | 172.8 | 6.7 | 0 | 0 | 115.5 | |||||
| 469 | S | 35.7 | Very low | 36.5 | Very low | 104 Ų | 104 | 163.8 Ų | 163.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | 46.6 | 103.6 | 155.9 | 57.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 470 | E | 35.2 | Very low | 36.6 | Very low | 184 Ų | 184 | 164 Ų | 164 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | 52.1 | 110.1 | 129.3 | -55 | -151.9 | 146.5 | 0 | 0 | 122.9 | |||||
| 471 | R | 35.1 | Very low | 37.3 | Very low | 236 Ų | 236 | 160.8 Ų | 160.8 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | -161.1 | 151.3 | 121.4 | -106.9 | 167.2 | -127.8 | -140 | 0.2 | 110.7 | L473 | R471-L473 PolarHBondContact O-N 3.24Š| |||
| 472 | P | 36.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 164.7 Ų | 164.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 126.1 | -175.4 | 27.9 | -33.7 | 0 | 0 | 0 | 112 | ||
| 473 | L | 35.3 | Very low | 38.7 | Very low | 177 Ų | 177 | 162 Ų | 162 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 148.8 | 175.1 | -82.2 | 162.1 | 0 | 0 | 0 | 111.7 | R471 | R471-L473 PolarHBondContact O-N 3.24Š|
| 474 | R | 36.5 | Very low | 39.5 | Very low | 235 Ų | 235 | 154.6 Ų | 154.6 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 163 | 175.9 | -72.9 | -178.7 | 171.8 | 178 | -2.1 | 111.2 | ||
| 475 | S | 39.3 | Very low | 40.6 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -47.5 | 146.6 | 172 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 476 | S | 33.9 | Very low | 41.7 | Very low | 103 Ų | 103 | 157 Ų | 157 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.8 | -170.8 | -168.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 477 | H | 34.5 | Very low | 43.3 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | trans | -103 | 77.1 | 176.3 | -136.7 | -73.5 | 0 | 0 | 0 | 108 | W480 | H477-W480 AromaticContact CE1-NE1 3.73Š| ||
| 478 | N | 38.2 | Very low | 45 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -155.1 | 55.5 | 179.7 | -109.5 | -6.4 | 0 | 0 | 0 | 114 | ||||
| 479 | E | 39.1 | Very low | 46.5 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | trans | -159.4 | 92.2 | 163.1 | -114.8 | 166.2 | -132.2 | 0 | 0 | 108.8 | ||||
| 480 | W | 43.8 | Very low | 48.2 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 59% | 0.591 | 72% | 0.718 | S | S | * | * | trans | -131.7 | 57.6 | -179.6 | -90.9 | 77.4 | 0 | 0 | 0 | 111.4 | H477 | H477-W480 AromaticContact CE1-NE1 3.73Š| ||
| 481 | T | 48.6 | Very low | 50 | Low | 109 Ų | 109 | 141.5 Ų | 141.5 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -75.1 | 132 | 164.6 | 48 | 0 | 0 | 0 | 0 | 109.5 | S483 | T481-S483 PolarHBondContact O-N 2.98Š| ||
| 482 | W | 48.1 | Very low | 51.7 | Low | 251 Ų | 251 | 131.9 Ų | 131.9 | 95% | 0.951 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 34.8 | -173.5 | -77.6 | 64.1 | 0 | 0 | 0 | 113.7 | ||
| 483 | S | 51.2 | Low | 53.4 | Low | 78 Ų | 78 | 133 Ų | 133 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.3 | 17 | -173.7 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | T481 | T481-S483 PolarHBondContact O-N 2.98Š|
| 484 | G | 50.2 | Low | 55.4 | Low | 40 Ų | 40 | 128.9 Ų | 128.9 | 41% | 0.412 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -82.1 | 164.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 485 | D | 61.4 | Low | 57.3 | Low | 119 Ų | 119 | 124 Ų | 124 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | trans | -56.1 | 134 | -170.3 | -108.3 | -47.9 | 0 | 0 | 0 | 114.9 | Q487 Q488 I489 | D485-Q487 PolarHBondContact O-N 3.29Å; D485-Q487 VanDerWaalsContact O-N 3.08Å; D485-Q488 PolarHBondContact O-N 2.88Å; D485-I489 PolarHBondContact O-N 3.15Å; D485-I489 VanDerWaalsContact O-N 3.14Å | ||
| 486 | N | 66 | Low | 58.8 | Low | 128 Ų | 128 | 125.7 Ų | 125.7 | 68% | 0.684 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -54.8 | -32 | 177.3 | -78.2 | -49.3 | 0 | 0 | 0 | 112.7 | Q490 | N486-Q490 VanDerWaalsContact O-CB 3.32Å; N486-Q490 WeakPolarHBondContact O-CB 3.34Å; N486-Q490 PolarHBondContact O-N 3.17Å |
| 487 | Q | 69.8 | Low | 60.4 | Low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.4 | -46.4 | 176.3 | -66.9 | -170.6 | 0.6 | 0 | 0 | 112 | D485 I489 Q490 E491 | D485-Q487 PolarHBondContact O-N 3.29Å; D485-Q487 VanDerWaalsContact O-N 3.08Å; Q487-I489 VanDerWaalsContact C-N 3.35Å; Q487-I489 PolarHBondContact O-N 3.37Å; Q487-Q490 PolarHBondContact O-N 2.68Å; Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.04Å |
| 488 | Q | 71.4 | Confident | 62.2 | Low | 145 Ų | 145 | 128.1 Ų | 128.1 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -40.1 | 176.6 | -71.3 | -169.8 | -1.5 | 0 | 0 | 111.7 | D485 Q490 E491 A492 | D485-Q488 PolarHBondContact O-N 2.88Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 3.14Å; Q488-E491 PolarHBondContact O-N 3.48Å; Q488-A492 VanDerWaalsContact O-CB 3.28Å; Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 3.15Å |
| 489 | I | 66.6 | Low | 63.5 | Low | 72 Ų | 72 | 123.2 Ų | 123.2 | 37% | 0.369 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.1 | -43.8 | 175.8 | -62.2 | 173.6 | 0 | 0 | 0 | 110.5 | D485 Q487 A492 F493 | D485-I489 PolarHBondContact O-N 3.15Å; D485-I489 VanDerWaalsContact O-N 3.14Å; Q487-I489 VanDerWaalsContact C-N 3.35Å; Q487-I489 PolarHBondContact O-N 3.37Å; I489-A492 PolarHBondContact O-N 3.03Å; I489-F493 HydrophobicContact CG2-CD2 4.34Å; I489-F493 PolarHBondContact O-N 3.23Å |
| 490 | Q | 70.1 | Confident | 64.6 | Low | 133 Ų | 133 | 120.1 Ų | 120.1 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.9 | -33 | -178.6 | -164 | 155.3 | 11.8 | 0 | 0 | 112.9 | N486 Q487 Q488 F493 N494 | N486-Q490 VanDerWaalsContact O-CB 3.32Å; N486-Q490 WeakPolarHBondContact O-CB 3.34Å; N486-Q490 PolarHBondContact O-N 3.17Å; Q487-Q490 PolarHBondContact O-N 2.68Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 3.14Å; Q490-F493 PolarHBondContact O-N 2.91Å; Q490-N494 WeakPolarHBondContact O-CB 3.5Å; Q490-N494 PolarHBondContact O-N 3.34Å; Q490-N494 PolarHBondContact O-ND2 3.03Å; Q490-N494 VanDerWaalsContact O-ND2 3.15Å |
| 491 | E | 74 | Confident | 65.1 | Low | 123 Ų | 123 | 118.5 Ų | 118.5 | 58% | 0.575 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.4 | -44.5 | 167.5 | -74.1 | -156.1 | 159.5 | 0 | 0 | 112 | Q487 Q488 F493 N494 Q495 | Q487-E491 WeakPolarHBondContact O-CG 3.32Å; Q487-E491 PolarHBondContact O-N 3.04Å; Q488-E491 PolarHBondContact O-N 3.48Å; E491-F493 VanDerWaalsContact C-N 3.3Å; E491-F493 PolarHBondContact O-N 3.04Å; E491-N494 CarbonylContact O-C 3.55Å; E491-N494 PolarHBondContact O-N 2.65Å; E491-N494 VanDerWaalsContact O-N 3.12Å; E491-Q495 WeakPolarHBondContact O-CB 3.27Å; E491-Q495 WeakPolarHBondContact O-CG 3.32Å; E491-Q495 PolarHBondContact O-N 2.86Å |
| 492 | A | 70.7 | Confident | 65.3 | Low | 35 Ų | 35 | 123.7 Ų | 123.7 | 29% | 0.289 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.8 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q488 I489 R496 | Q488-A492 VanDerWaalsContact O-CB 3.28Å; Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 3.15Å; I489-A492 PolarHBondContact O-N 3.03Å; A492-R496 VanDerWaalsContact O-CB 3.3Å; A492-R496 WeakPolarHBondContact O-CB 3.37Å; A492-R496 PolarHBondContact O-N 3.09Å |
| 493 | F | 72.4 | Confident | 65.4 | Low | 148 Ų | 148 | 115 Ų | 115 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.5 | -47.5 | 170.6 | -103.7 | -82.2 | 0 | 0 | 0 | 112.3 | I489 Q490 E491 Q495 R496 Y497 | I489-F493 HydrophobicContact CG2-CD2 4.34Å; I489-F493 PolarHBondContact O-N 3.23Å; Q490-F493 PolarHBondContact O-N 2.91Å; E491-F493 VanDerWaalsContact C-N 3.3Å; E491-F493 PolarHBondContact O-N 3.04Å; F493-Q495 PolarHBondContact O-N 3.07Å; F493-R496 PolarHBondContact O-N 2.91Å; F493-Y497 WeakPolarHBondContact O-CB 3.13Å; F493-Y497 PolarHBondContact O-N 3.42Å |
| 494 | N | 77.9 | Confident | 65.3 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.2 | -39.8 | 177.9 | -78.7 | -37.1 | 0 | 0 | 0 | 112.5 | Q490 E491 K498 | Q490-N494 WeakPolarHBondContact O-CB 3.5Å; Q490-N494 PolarHBondContact O-N 3.34Å; Q490-N494 PolarHBondContact O-ND2 3.03Å; Q490-N494 VanDerWaalsContact O-ND2 3.15Å; E491-N494 CarbonylContact O-C 3.55Å; E491-N494 PolarHBondContact O-N 2.65Å; E491-N494 VanDerWaalsContact O-N 3.12Å; N494-K498 WeakPolarHBondContact O-CB 3.42Å; N494-K498 WeakPolarHBondContact O-CG 3.48Å; N494-K498 PolarHBondContact O-N 2.97Å |
| 495 | Q | 76.7 | Confident | 65 | Low | 133 Ų | 133 | 118.9 Ų | 118.9 | 62% | 0.621 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.4 | -43.9 | 173.9 | -70.1 | -177.1 | 33.6 | 0 | 0 | 111.4 | E491 F493 Y497 K498 G499 | E491-Q495 WeakPolarHBondContact O-CB 3.27Å; E491-Q495 WeakPolarHBondContact O-CG 3.32Å; E491-Q495 PolarHBondContact O-N 2.86Å; F493-Q495 PolarHBondContact O-N 3.07Å; Q495-Y497 VanDerWaalsContact C-N 3.33Å; Q495-Y497 PolarHBondContact O-N 2.89Å; Q495-K498 PolarHBondContact O-N 3.28Å; Q495-G499 PolarHBondContact O-N 3.46Å |
| 496 | R | 69.6 | Low | 64 | Low | 151 Ų | 151 | 117.3 Ų | 117.3 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.7 | -37.3 | 177.8 | -162.2 | 178.6 | -65.9 | -143.1 | 3.6 | 111.9 | A492 F493 G499 Q500 | A492-R496 VanDerWaalsContact O-CB 3.3Å; A492-R496 WeakPolarHBondContact O-CB 3.37Å; A492-R496 PolarHBondContact O-N 3.09Å; F493-R496 PolarHBondContact O-N 2.91Å; R496-G499 PolarHBondContact O-N 3.5Å; R496-Q500 PolarHBondContact O-N 3.41Å; R496-Q500 VanDerWaalsContact O-N 3.1Å |
| 497 | Y | 67.8 | Low | 62.7 | Low | 148 Ų | 148 | 114.5 Ų | 114.5 | 58% | 0.58 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.7 | -45.3 | 175.3 | -160.9 | -102.8 | 0 | 0 | 0 | 112.5 | F493 Q495 G499 Q500 Q501 | F493-Y497 WeakPolarHBondContact O-CB 3.13Å; F493-Y497 PolarHBondContact O-N 3.42Å; Q495-Y497 VanDerWaalsContact C-N 3.33Å; Q495-Y497 PolarHBondContact O-N 2.89Å; Y497-G499 VanDerWaalsContact C-N 3.25Å; Y497-G499 PolarHBondContact O-N 2.85Å; Y497-Q500 PolarHBondContact O-N 2.88Å; Y497-Q501 PolarHBondContact O-N 3.1Å; Y497-Q501 VanDerWaalsContact O-N 3.08Å |
| 498 | K | 72.3 | Confident | 61.1 | Low | 147 Ų | 147 | 114 Ų | 114 | 64% | 0.639 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.3 | -35.8 | 171.9 | -75 | 175.4 | 178.6 | 177.3 | 0 | 112.2 | N494 Q495 Q501 R502 | N494-K498 WeakPolarHBondContact O-CB 3.42Å; N494-K498 WeakPolarHBondContact O-CG 3.48Å; N494-K498 PolarHBondContact O-N 2.97Å; Q495-K498 PolarHBondContact O-N 3.28Å; K498-Q501 PolarHBondContact O-N 2.9Å; K498-R502 PolarHBondContact O-N 2.71Å; K498-R502 VanDerWaalsContact O-N 3.13Å |
| 499 | G | 65.3 | Low | 59.3 | Low | 41 Ų | 41 | 112.4 Ų | 112.4 | 42% | 0.423 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62 | -47.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q495 R496 Y497 Q501 R502 A503 | Q495-G499 PolarHBondContact O-N 3.46Å; R496-G499 PolarHBondContact O-N 3.5Å; Y497-G499 VanDerWaalsContact C-N 3.25Å; Y497-G499 PolarHBondContact O-N 2.85Å; G499-Q501 VanDerWaalsContact C-N 3.35Å; G499-Q501 PolarHBondContact O-N 3.43Å; G499-R502 PolarHBondContact O-N 3.22Å; G499-A503 PolarHBondContact O-N 2.62Å |
| 500 | Q | 62.3 | Low | 57.6 | Low | 116 Ų | 116 | 114.8 Ų | 114.8 | 54% | 0.542 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.4 | -34.9 | 177.4 | -74.7 | -174.6 | -18.4 | 0 | 0 | 113 | R496 Y497 A503 N504 | R496-Q500 PolarHBondContact O-N 3.41Å; R496-Q500 VanDerWaalsContact O-N 3.1Å; Y497-Q500 PolarHBondContact O-N 2.88Å; Q500-A503 PolarHBondContact O-N 2.93Å; Q500-N504 PolarHBondContact O-N 3.01Å |
| 501 | Q | 54 | Low | 55.9 | Low | 121 Ų | 121 | 117.4 Ų | 117.4 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 174.3 | -72.1 | -173.7 | -23.8 | 0 | 0 | 112.6 | Y497 K498 G499 G505 | Y497-Q501 PolarHBondContact O-N 3.1Å; Y497-Q501 VanDerWaalsContact O-N 3.08Å; K498-Q501 PolarHBondContact O-N 2.9Å; G499-Q501 VanDerWaalsContact C-N 3.35Å; G499-Q501 PolarHBondContact O-N 3.43Å; Q501-G505 PolarHBondContact O-N 3.42Å |
| 502 | R | 53.2 | Low | 53.9 | Low | 219 Ų | 219 | 117.5 Ų | 117.5 | 83% | 0.826 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.7 | -36.6 | 174.6 | -82.9 | -174 | 166.8 | 179.6 | -4.6 | 113.1 | K498 G499 N504 G505 | K498-R502 PolarHBondContact O-N 2.71Å; K498-R502 VanDerWaalsContact O-N 3.13Å; G499-R502 PolarHBondContact O-N 3.22Å; R502-N504 VanDerWaalsContact C-N 3.35Å; R502-N504 PolarHBondContact O-N 3.12Å; R502-G505 PolarHBondContact O-N 3.49Å |
| 503 | A | 51.1 | Low | 52.1 | Low | 68 Ų | 68 | 124.4 Ų | 124.4 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.2 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G499 Q500 | G499-A503 PolarHBondContact O-N 2.62Å; Q500-A503 PolarHBondContact O-N 2.93Å |
| 504 | N | 48.8 | Very low | 50.4 | Low | 132 Ų | 132 | 124.5 Ų | 124.5 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.8 | -10.4 | -179.8 | -70.3 | 3.3 | 0 | 0 | 0 | 114 | Q500 R502 | Q500-N504 PolarHBondContact O-N 3.01Å; R502-N504 VanDerWaalsContact C-N 3.35Å; R502-N504 PolarHBondContact O-N 3.12Å |
| 505 | G | 43.7 | Very low | 48.3 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -11.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q501 R502 | Q501-G505 PolarHBondContact O-N 3.42Å; R502-G505 PolarHBondContact O-N 3.49Å |
| 506 | A | 41.2 | Very low | 46.5 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -110.1 | 14.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 507 | A | 38.5 | Very low | 44.9 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 56% | 0.562 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -108.4 | 2.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 508 | N | 35.2 | Very low | 43.5 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | -116.4 | 49.9 | -175.8 | -71.6 | 19.4 | 0 | 0 | 0 | 111.6 | ||||
| 509 | S | 33.8 | Very low | 41.7 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -145.9 | 57.8 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 510 | T | 32 | Very low | 40.3 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -154.8 | 147.7 | 172 | 25.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 511 | M | 32.5 | Very low | 39 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | trans | 69.8 | 133.9 | -162.3 | -46.2 | 178.8 | -171.4 | 0 | 0 | 112.1 | ||||
| 512 | V | 34 | Very low | 37.9 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | cis | -129.6 | 145.2 | -3.1 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | L514 | V512-L514 HydrophobicContact CG1-CD1 4.13Š| ||
| 513 | H | 31.2 | Very low | 37 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | trans | -115.4 | 128.6 | 166 | -172.4 | -67.5 | 0 | 0 | 0 | 108 | ||||
| 514 | L | 37.7 | Very low | 36.2 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -149.8 | 151.4 | 175.2 | -108.1 | 157.4 | 0 | 0 | 0 | 109.3 | V512 | V512-L514 HydrophobicContact CG1-CD1 4.13Š| ||
| 515 | E | 33.9 | Very low | 35.7 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | -75.5 | 170.5 | -166.7 | -133.4 | -161.6 | 91.4 | 0 | 0 | 113 | D517 | E515-D517 PolarHBondContact OE1-N 3.34Š| ||
| 516 | P | 39.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | -134.7 | 149.4 | 64.6 | 37.5 | -22.4 | 0 | 0 | 0 | 116.6 | |||||
| 517 | D | 35 | Very low | 34.9 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -73.4 | 141.6 | 163.2 | -84 | -28.6 | 0 | 0 | 0 | 111.7 | E515 | E515-D517 PolarHBondContact OE1-N 3.34Š| ||
| 518 | A | 39 | Very low | 35 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -157.5 | 116.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 519 | L | 34.6 | Very low | 35.1 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -45.6 | 128.4 | 170.2 | -62.2 | 152 | 0 | 0 | 0 | 113.5 | ||||
| 520 | E | 36.5 | Very low | 35.3 | Very low | 199 Ų | 199 | 145 Ų | 145 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | -150.5 | 133.8 | 123.2 | -136.6 | 172.2 | -168.2 | 0 | 0 | 110.9 | |||||
| 521 | E | 33.6 | Very low | 35.5 | Very low | 148 Ų | 148 | 143 Ų | 143 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -122 | 154.6 | -168.9 | -155 | -155.2 | 124.6 | 0 | 0 | 110.3 | ||||
| 522 | Q | 30.5 | Very low | 35.6 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | trans | 74.6 | 153.8 | 165.1 | -47.7 | 179.5 | 6.3 | 0 | 0 | 118.2 | ||||
| 523 | L | 36 | Very low | 35.8 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 68.7 | 128.9 | 173.5 | -52.4 | 138 | 0 | 0 | 0 | 114.9 | ||||
| 524 | K | 34.4 | Very low | 36 | Very low | 172 Ų | 172 | 145 Ų | 145 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | cis | -158.9 | 149.2 | 1.1 | -128 | 161.7 | -174.3 | 165.9 | 0 | 110.1 | ||||
| 525 | K | 36.6 | Very low | 35.7 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 9.3 | 147.1 | 153.5 | -57.2 | -179.7 | 178.4 | -178.9 | 0 | 119.1 | ||||
| 526 | Q | 34.7 | Very low | 35.7 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | cis | -165.9 | 177.3 | 39.1 | -147.9 | 149 | -31.6 | 0 | 0 | 115.1 | ||||
| 527 | S | 35.2 | Very low | 35.5 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -62.2 | 169 | -166.9 | -69.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 528 | P | 40.5 | Very low | 35.6 | Very low | 134 Ų | 134 | 149 Ų | 149 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -105 | 176.9 | -167.9 | 41.9 | -37.4 | 0 | 0 | 0 | 116.7 | ||||
| 529 | G | 37 | Very low | 35.7 | Very low | 78 Ų | 78 | 149.2 Ų | 149.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -147 | 106.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 530 | A | 37.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 95% | 0.95 | 80% | 0.796 | S | S | * | * | trans | 26.1 | 124.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 531 | G | 36.8 | Very low | 35.8 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 118.2 | 148.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 532 | R | 34.4 | Very low | 36 | Very low | 234 Ų | 234 | 143.3 Ų | 143.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | cis | -167.4 | 123.2 | -8 | -167.9 | -175.6 | -164.4 | -172 | 7.1 | 111.2 | ||||
| 533 | V | 37.5 | Very low | 36.5 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | 66.5 | 146.7 | 152.5 | 156.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 534 | K | 34.9 | Very low | 36.6 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | cis | -156.6 | 133.7 | -16.9 | -99.3 | 170.4 | -161.9 | 173.3 | 0 | 105.9 | ||||
| 535 | K | 32.9 | Very low | 36.8 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | 66.4 | 117.5 | 84.2 | -78.3 | -162.6 | 175.6 | -172.3 | 0 | 118.7 | |||||
| 536 | F | 33.7 | Very low | 37 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | trans | 66.2 | 166.9 | 147.3 | -74.4 | -120.6 | 0 | 0 | 0 | 118.9 | ||||
| 537 | S | 34.5 | Very low | 37.1 | Very low | 86 Ų | 86 | 147.8 Ų | 147.8 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | cis | -177.4 | 155.8 | -38 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 538 | M | 36.9 | Very low | 37.1 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | 73.3 | 165.4 | 155 | -86.7 | 178 | 168.6 | 0 | 0 | 120.2 | ||||
| 539 | P | 41.6 | Very low | 36.7 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -131.7 | -159.7 | -132.6 | 48.7 | -34.7 | 0 | 0 | 0 | 117.1 | ||||
| 540 | D | 34.9 | Very low | 36.5 | Very low | 164 Ų | 164 | 158.8 Ų | 158.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | 75.9 | 144.6 | 166.2 | -71.6 | -22.4 | 0 | 0 | 0 | 120.1 | ||||
| 541 | G | 38.4 | Very low | 36.2 | Very low | 71 Ų | 71 | 161.9 Ų | 161.9 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 113.2 | 119.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 542 | L | 37.9 | Very low | 36 | Very low | 161 Ų | 161 | 169.9 Ų | 169.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | 50.2 | 93 | 147 | -64.5 | 168.1 | 0 | 0 | 0 | 120.3 | ||||
| 543 | R | 40.1 | Very low | 36.2 | Very low | 248 Ų | 248 | 164.4 Ų | 164.4 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | -174.1 | 105.9 | 143.6 | -92.5 | 141.8 | -163 | -115.4 | 6.9 | 106.1 | ||||
| 544 | R | 37.7 | Very low | 36.2 | Very low | 226 Ų | 226 | 163.2 Ų | 163.2 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | cis | 43.6 | 121 | 41.6 | -81.5 | -163.3 | -179.7 | -167.8 | 2.2 | 113.7 | ||||
| 545 | L | 38.6 | Very low | 36.3 | Very low | 145 Ų | 145 | 163 Ų | 163 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 76.3 | 104.2 | 164.3 | -59.8 | 164.4 | 0 | 0 | 0 | 117.7 | ||
| 546 | F | 41.3 | Very low | 36.5 | Very low | 193 Ų | 193 | 160.6 Ų | 160.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 73.6 | 147.4 | 156.6 | -60.5 | -67 | 0 | 0 | 0 | 120.8 | ||||
| 547 | P | 37.2 | Very low | 36.5 | Very low | 100 Ų | 100 | 158 Ų | 158 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | -94.9 | 163.7 | -176.5 | 38.8 | -35.7 | 0 | 0 | 0 | 112.8 | ||||
| 548 | F | 35.8 | Very low | 36.5 | Very low | 188 Ų | 188 | 160.7 Ų | 160.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | 169.2 | 140.3 | 127.5 | -103.5 | -82.4 | 0 | 0 | 0 | 111.7 | |||||
| 549 | Q | 31.8 | Very low | 36.5 | Very low | 157 Ų | 157 | 161.7 Ų | 161.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 4.3 | 142.7 | 165.4 | -64.9 | -178.3 | 22.2 | 0 | 0 | 122.6 | ||||
| 550 | K | 32.4 | Very low | 36.2 | Very low | 212 Ų | 212 | 164.8 Ų | 164.8 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | -146.4 | 125.9 | 119.1 | -119.3 | 168.4 | -174.1 | 171.5 | 0 | 112.5 | |||||
| 551 | K | 31.9 | Very low | 36.2 | Very low | 180 Ų | 180 | 163.3 Ų | 163.3 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -82.5 | 163.1 | 157.8 | -63.4 | 179.3 | 177.1 | -179.4 | 0 | 109 | ||||
| 552 | R | 32.6 | Very low | 35.8 | Very low | 249 Ų | 249 | 163.9 Ų | 163.9 | 94% | 0.94 | 77% | 0.771 | S | S | * | * | -151.9 | 160.6 | 128.3 | -87.4 | -136.7 | 168 | 158.9 | -2.3 | 112.5 | |||||
| 553 | P | 37.9 | Very low | 35.5 | Very low | 119 Ų | 119 | 162.7 Ų | 162.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -131.6 | -176.6 | -164 | 44 | -27.8 | 0 | 0 | 0 | 114.7 | ||||
| 554 | S | 37.4 | Very low | 35 | Very low | 95 Ų | 95 | 156.5 Ų | 156.5 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | -161.4 | 133.5 | 158.3 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 555 | Q | 37.1 | Very low | 34.8 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 51.1 | 145.2 | 139 | -76.3 | 146.5 | -53.3 | 0 | 0 | 121 | ||||
| 556 | D | 37.1 | Very low | 34.7 | Very low | 131 Ų | 131 | 150.9 Ų | 150.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -134.2 | 140.7 | 13.9 | -88.5 | -51.2 | 0 | 0 | 0 | 111.5 | ||||
| 557 | L | 34.3 | Very low | 34.5 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | 79.2 | 91.6 | 82.6 | -153.8 | 76.6 | 0 | 0 | 0 | 112.8 | |||||
| 558 | E | 33.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | 93.2 | 132.9 | 62.3 | -168.8 | -145.6 | -108.2 | 0 | 0 | 113.9 | |||||
| 559 | R | 37.3 | Very low | 34.2 | Very low | 202 Ų | 202 | 144 Ų | 144 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 151 | 148.9 | 144.6 | -82 | 161 | -168 | -163.8 | 8.4 | 109.7 | ||||
| 560 | K | 34.6 | Very low | 34.3 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | cis | -172.7 | 160.3 | -14.8 | -112.3 | -175.7 | -179 | -173.4 | 0 | 105.6 | ||||
| 561 | L | 34.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | cis | -144.3 | 147.6 | -1.3 | -94.8 | -179.7 | 0 | 0 | 0 | 106.7 | ||||
| 562 | S | 31.5 | Very low | 34.4 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | 62.2 | 116.6 | 84.5 | 99.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 563 | V | 31.3 | Very low | 34.5 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 83.8 | 134.8 | 97.1 | 162.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 564 | V | 29.5 | Very low | 34.4 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | cis | 178.5 | 172.8 | 0.1 | 133.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 565 | S | 32.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | 81 | 161.3 | 158.3 | 60.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 566 | V | 35.6 | Very low | 34 | Very low | 137 Ų | 137 | 137 Ų | 137 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -131.5 | 140.5 | -166.9 | 163.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 567 | P | 38.1 | Very low | 34 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 62% | 0.617 | 74% | 0.743 | S | S | * | * | -155.7 | 178.9 | 117.3 | 43.3 | -25.7 | 0 | 0 | 0 | 116.4 | |||||
| 568 | E | 34.4 | Very low | 34.6 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | 51.7 | 154.5 | 169.9 | -81.5 | 76.7 | -118 | 0 | 0 | 120 | ||||
| 569 | G | 32.8 | Very low | 34.8 | Very low | 59 Ų | 59 | 135.7 Ų | 135.7 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | cis | 162.6 | 131.1 | -11.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 570 | V | 33.2 | Very low | 34.8 | Very low | 145 Ų | 145 | 132 Ų | 132 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | 63.9 | 170.3 | 166.3 | -125.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 571 | I | 34.2 | Very low | 35.1 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | cis | -141.1 | 121.3 | 1.9 | -43.7 | 164 | 0 | 0 | 0 | 112.4 | ||||
| 572 | S | 32.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 62.7 | 161.2 | 159.5 | 81.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 573 | Q | 35.1 | Very low | 35.7 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -142 | 176.3 | 4.8 | -78.3 | -163 | 48.7 | 0 | 0 | 107.7 | ||||
| 574 | Q | 35 | Very low | 36 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | cis | -171.2 | 165.7 | -27.6 | -97.4 | -153.6 | 93.2 | 0 | 0 | 105.7 | ||||
| 575 | A | 32 | Very low | 36.4 | Very low | 71 Ų | 71 | 136 Ų | 136 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | cis | -172.6 | 132.9 | -29.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 576 | R | 34.5 | Very low | 36.7 | Very low | 253 Ų | 253 | 137.3 Ų | 137.3 | 96% | 0.955 | 75% | 0.75 | S | S | * | * | trans | 175.7 | 158.4 | 144.4 | -98.8 | 163 | -177.9 | 173.1 | 1.3 | 110.9 | ||||
| 577 | S | 35.8 | Very low | 36.7 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -150.5 | -158 | -148.8 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 578 | P | 47.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | -127.4 | -165.5 | -121.4 | 37 | -13.8 | 0 | 0 | 0 | 114.1 | |||||
| 579 | L | 37.8 | Very low | 36.8 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -155.5 | 158.2 | 151.7 | -134.4 | 125.9 | 0 | 0 | 0 | 112.7 | ||||
| 580 | D | 37.7 | Very low | 37 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | -109.9 | 175.1 | -160.6 | -44.7 | -94.1 | 0 | 0 | 0 | 114.8 | ||||
| 581 | Y | 41.2 | Very low | 37 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 70% | 0.698 | 76% | 0.758 | S | S | * | * | -177.8 | 120.3 | 110.5 | -117.3 | -112.7 | 0 | 0 | 0 | 115.8 | |||||
| 582 | Y | 38.6 | Very low | 37.2 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | 63.3 | 163.2 | 132.9 | -83.5 | -126.9 | 0 | 0 | 0 | 120.9 | ||||
| 583 | S | 39.9 | Very low | 37.2 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | cis | 175.6 | 154.3 | -16.4 | 168 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 584 | N | 38.5 | Very low | 37.2 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -159.4 | -167.2 | -18.1 | -98 | -5.8 | 0 | 0 | 0 | 109 | ||||
| 585 | T | 37.5 | Very low | 37.1 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | -109.1 | 174.1 | 178 | 51 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 586 | V | 37.8 | Very low | 37 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -167.1 | 175.6 | 141.3 | 134.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 587 | T | 36.1 | Very low | 36.9 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -111.3 | 157.9 | -141.6 | 52.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 588 | A | 36 | Very low | 36.7 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 64.9 | 133.8 | 137 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 589 | A | 38.1 | Very low | 36 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -171.5 | 152.2 | 132.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 590 | S | 37.9 | Very low | 36 | Very low | 127 Ų | 127 | 137 Ų | 137 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | 57.1 | 160.3 | 158.6 | 69.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 591 | S | 34.4 | Very low | 36.2 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -160.7 | -173.3 | -164.6 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 592 | Q | 37.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | 108.2 | 129.3 | 176.7 | -61.5 | -177.2 | 36.2 | 0 | 0 | 113.9 | ||||
| 593 | S | 32.6 | Very low | 36.8 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 52% | 0.524 | 77% | 0.771 | S | S | . | * | cis | 84.2 | 143.1 | 31.8 | 84.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 594 | Y | 34.4 | Very low | 37 | Very low | 199 Ų | 199 | 132 Ų | 132 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | cis | -161.9 | 162.6 | 25.9 | -103.7 | -53.5 | 0 | 0 | 0 | 112.9 | ||||
| 595 | L | 32.7 | Very low | 36.9 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | 59.2 | 175.4 | 144.8 | -65.6 | 167.1 | 0 | 0 | 0 | 119.7 | ||||
| 596 | R | 31 | Very low | 36.9 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 75% | 0.751 | 77% | 0.771 | S | S | * | * | -179.3 | 137.9 | -51 | 171.3 | 178.9 | 178.5 | -170.3 | 0.9 | 108.9 | |||||
| 597 | N | 32.8 | Very low | 37.1 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | 59 | 125.7 | 165.5 | -68.4 | 6.7 | 0 | 0 | 0 | 119.7 | ||||
| 598 | G | 31.6 | Very low | 37.1 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | 124.6 | 116.4 | 122.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 599 | R | 32.8 | Very low | 37 | Very low | 259 Ų | 259 | 131.9 Ų | 131.9 | 98% | 0.977 | 76% | 0.757 | S | S | * | * | trans | 62.8 | 112.3 | 131.6 | -158.6 | -173.3 | -154.9 | -173.2 | 6.1 | 119.3 | ||||
| 600 | G | 36.5 | Very low | 37 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | 140.6 | 124.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 601 | P | 42.1 | Very low | 36.8 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -119.8 | -177.5 | 167.4 | 42.7 | -32.4 | 0 | 0 | 0 | 112.4 | ||||
| 602 | P | 42.6 | Very low | 37 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | cis | -122 | -101.2 | -19.2 | 20 | 6.4 | 0 | 0 | 0 | 115.5 | ||||
| 603 | P | 49.8 | Very low | 37.1 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -116.8 | -159.2 | -149 | 38.9 | -14.7 | 0 | 0 | 0 | 112 | ||||
| 604 | P | 45.3 | Very low | 37.4 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -147.7 | -172.2 | 9.5 | 44.2 | -22 | 0 | 0 | 0 | 119.5 | ||||
| 605 | F | 36.8 | Very low | 37.6 | Very low | 168 Ų | 168 | 127 Ų | 127 | 74% | 0.737 | 78% | 0.783 | S | S | * | * | trans | 78.2 | 133.7 | 146.2 | -104.2 | -129 | 0 | 0 | 0 | 123.6 | ||||
| 606 | E | 35.5 | Very low | 37.9 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | 54.5 | 154.7 | 141.7 | -75.3 | -177.9 | 172.8 | 0 | 0 | 121.6 | ||||
| 607 | S | 42.1 | Very low | 38.2 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -150.4 | 177.3 | 10 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 608 | N | 37 | Very low | 38.6 | Very low | 161 Ų | 161 | 118.9 Ų | 118.9 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 13.6 | 148.6 | 145 | -50.6 | -28.7 | 0 | 0 | 0 | 120.4 | ||||
| 609 | G | 33.7 | Very low | 39.1 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | cis | 145.3 | 175.1 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 610 | S | 37.5 | Very low | 39.3 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 70.1 | 163.1 | 174.8 | 85.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 611 | L | 34.1 | Very low | 39.1 | Very low | 165 Ų | 165 | 121 Ų | 121 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | cis | -167.2 | 176 | -49.8 | -115.4 | 167.4 | 0 | 0 | 0 | 110.8 | ||||
| 612 | A | 38.6 | Very low | 38.8 | Very low | 92 Ų | 92 | 118.2 Ų | 118.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 68.2 | 152.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 613 | S | 39.4 | Very low | 38.4 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | cis | -160 | 167.2 | -10.3 | -135 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 614 | G | 39.1 | Very low | 37.5 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | 160.2 | 135.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 615 | G | 38.4 | Very low | 37.1 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | 98.4 | 147.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 616 | G | 38.5 | Very low | 37.1 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | cis | 179.2 | 162.4 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 617 | G | 38.1 | Very low | 37.2 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 109.1 | 104.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 618 | L | 40.3 | Very low | 36.9 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | 66.6 | 127 | 69.7 | -58.7 | 169.5 | 0 | 0 | 0 | 112.2 | |||||
| 619 | T | 41.9 | Very low | 37.1 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | cis | -164.6 | 165.4 | 4.4 | 2.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 620 | N | 38 | Very low | 37.5 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | cis | -154.2 | 178.5 | -7.8 | -164.3 | 19.2 | 0 | 0 | 0 | 109.6 | ||||
| 621 | M | 31.5 | Very low | 37.6 | Very low | 181 Ų | 181 | 127 Ų | 127 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | trans | -144.6 | 156 | 171.4 | -92.9 | -81.6 | -82.2 | 0 | 0 | 113 | ||||
| 622 | G | 35.6 | Very low | 38.2 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 164.5 | 149.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 623 | F | 34.8 | Very low | 38 | Very low | 215 Ų | 215 | 125.4 Ų | 125.4 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | cis | -142.6 | 176.9 | 4.1 | -145 | -102.3 | 0 | 0 | 0 | 110.5 | ||||
| 624 | Q | 31.9 | Very low | 37.9 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -134.1 | 172.1 | -175.8 | -164.8 | 174.9 | 15.3 | 0 | 0 | 110.9 | ||||
| 625 | M | 37.1 | Very low | 37.6 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 80.3 | 153.4 | 179.2 | -52 | 171.7 | 85.7 | 0 | 0 | 113.1 | ||||
| 626 | E | 36.9 | Very low | 37.5 | Very low | 166 Ų | 166 | 128 Ų | 128 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | cis | -145.3 | -175.1 | 10.8 | -146.3 | 160.3 | 129.4 | 0 | 0 | 112.9 | ||||
| 627 | D | 35.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -76.2 | 163.1 | -173.2 | -67 | -78.1 | 0 | 0 | 0 | 115.7 | ||||
| 628 | G | 37.9 | Very low | 37.3 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 176 | 92.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 629 | A | 39.4 | Very low | 37.1 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -17 | 131 | 168.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 630 | T | 41.9 | Very low | 37 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 71.8 | 146 | 135.8 | 52.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 631 | P | 41.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -102.4 | -163.5 | 175 | 46.9 | -39.9 | 0 | 0 | 0 | 111.3 | ||||
| 632 | P | 45.6 | Very low | 37.4 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | cis | -142.3 | -174 | 2.8 | 43.6 | -24.1 | 0 | 0 | 0 | 118.1 | ||||
| 633 | S | 35.5 | Very low | 37.6 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | 98 | 167.7 | 143.3 | 83.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 634 | A | 36.4 | Very low | 37.7 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | trans | 79.5 | 92.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 635 | L | 33.2 | Very low | 38 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | 57.5 | 132 | 120.3 | -68.2 | 161.5 | 0 | 0 | 0 | 122.4 | |||||
| 636 | G | 36.7 | Very low | 38.1 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 141.7 | 129 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 637 | G | 33.2 | Very low | 38.2 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | cis | 137.8 | 76.3 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 638 | G | 39.1 | Very low | 38.6 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -155 | 112 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 639 | A | 35.4 | Very low | 38.7 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -119.7 | 144.9 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 640 | Y | 40.4 | Very low | 38.7 | Very low | 242 Ų | 242 | 136.8 Ų | 136.8 | 95% | 0.949 | 81% | 0.814 | S | S | * | * | trans | -127 | 158.5 | 162.4 | -85.3 | -79.4 | 0 | 0 | 0 | 110.4 | ||||
| 641 | Q | 40.2 | Very low | 38.6 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -138.7 | 165.2 | -141 | -162.5 | -161.9 | 54.8 | 0 | 0 | 112.1 | ||||
| 642 | R | 37.9 | Very low | 38.4 | Very low | 213 Ų | 213 | 138.5 Ų | 138.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 86.4 | 149.2 | 172.2 | -52.6 | 172.1 | 176.6 | -168.3 | -4 | 113.6 | ||||
| 643 | K | 39 | Very low | 38.1 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | cis | -143.2 | 162.7 | 3.7 | -141.7 | 173.7 | -177.5 | -174.4 | 0 | 110.1 | ||||
| 644 | A | 36.2 | Very low | 38.4 | Very low | 100 Ų | 100 | 139 Ų | 139 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -130.5 | 146.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 645 | A | 38.6 | Very low | 38.5 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -177.9 | 116.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 646 | A | 39.3 | Very low | 39.1 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | cis | 88 | 107.1 | 49.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 647 | G | 39.9 | Very low | 39.1 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -151.8 | 0.3 | -161.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 648 | K | 43.1 | Very low | 39.4 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 67 | 156 | 174.3 | -56.7 | 167 | -175.2 | 166.9 | 0 | 114.8 | ||||
| 649 | R | 40.5 | Very low | 39.3 | Very low | 210 Ų | 210 | 152.1 Ų | 152.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -160.9 | 148 | -11.8 | -116.5 | 172.2 | -177.9 | -170.9 | 0.2 | 109.4 | ||||
| 650 | R | 38.4 | Very low | 39.3 | Very low | 186 Ų | 186 | 151.7 Ų | 151.7 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | 40.9 | 146.3 | 137.2 | -72.3 | -165.4 | 150.4 | -172.8 | -3.4 | 121.3 | ||||
| 651 | R | 39.9 | Very low | 39.4 | Very low | 160 Ų | 160 | 146 Ų | 146 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | cis | -154.2 | 138 | 4 | -116 | -165.5 | 157.3 | -171 | -24 | 109.3 | ||||
| 652 | E | 37.9 | Very low | 39.3 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | 54.2 | 133.9 | 92.8 | -63.1 | 166.6 | -120.4 | 0 | 0 | 115.1 | |||||
| 653 | S | 39.9 | Very low | 39.3 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | cis | 176.8 | -155.5 | -22.2 | 44.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 654 | I | 40.6 | Very low | 39.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | 81.1 | 134.2 | 164.7 | -50.6 | 172.2 | 0 | 0 | 0 | 114.3 | ||||
| 655 | Y | 38.6 | Very low | 39 | Very low | 210 Ų | 210 | 147 Ų | 147 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | cis | -125.1 | -174.4 | 2.7 | -123.6 | -52.7 | 0 | 0 | 0 | 112.8 | ||||
| 656 | T | 45.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | -84.6 | 179.2 | -167.3 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 657 | Q | 37.5 | Very low | 38.6 | Very low | 163 Ų | 163 | 146 Ų | 146 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | cis | -169.9 | 135.8 | 37 | -173.5 | 162.2 | -38.4 | 0 | 0 | 114.3 | ||||
| 658 | N | 38.9 | Very low | 38.4 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 25.7 | 150.5 | 147.8 | -61.7 | -13.5 | 0 | 0 | 0 | 122 | ||||
| 659 | Q | 38.2 | Very low | 38.1 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | cis | -154.5 | 160.5 | 21.1 | -142.2 | 159 | 40.2 | 0 | 0 | 112.8 | ||||
| 660 | A | 35.3 | Very low | 38.2 | Very low | 86 Ų | 86 | 148.1 Ų | 148.1 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -109.2 | -169.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 661 | P | 41.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -130.8 | -158.3 | 9.7 | 39.3 | -15.4 | 0 | 0 | 0 | 112.3 | ||||
| 662 | S | 39 | Very low | 38.3 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -162.8 | 158.3 | 15.5 | 64.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 663 | A | 38.5 | Very low | 38 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 62.9 | 153.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 664 | R | 35.5 | Very low | 37.9 | Very low | 252 Ų | 252 | 147.7 Ų | 147.7 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | cis | -144.4 | 164.2 | -4.5 | -135.2 | 175.9 | -165 | -139.9 | 5.5 | 109.9 | ||||
| 665 | R | 33.5 | Very low | 37.6 | Very low | 248 Ų | 248 | 145.7 Ų | 145.7 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | trans | -116.6 | 144.7 | -172 | -169.1 | -170.9 | -163.8 | -161.3 | 8 | 111.1 | ||||
| 666 | G | 34.9 | Very low | 37.4 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 123.3 | 123.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 667 | S | 34.7 | Very low | 36.9 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 45.9 | 127.1 | 139.6 | -155.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 668 | M | 35.1 | Very low | 37 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 93% | 0.931 | 82% | 0.817 | S | S | * | * | trans | -128.2 | 119.4 | 156.9 | -90 | -172 | 166.9 | 0 | 0 | 110.9 | ||||
| 669 | Y | 37.6 | Very low | 36.9 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -116 | 129.3 | 153.2 | -95.3 | -90.4 | 0 | 0 | 0 | 107 | P671 | Y669-P671 WeakPolarHBondContact O-CD 3.21Š| ||
| 670 | P | 41.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 121.8 | -179.6 | 34 | -29.8 | 0 | 0 | 0 | 112.8 | ||
| 671 | P | 39.6 | Very low | 37.1 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 160.8 | 164.9 | 34.8 | -31.5 | 0 | 0 | 0 | 112.7 | Y669 | Y669-P671 WeakPolarHBondContact O-CD 3.21Š|
| 672 | T | 40.6 | Very low | 36.9 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 155.5 | -170.8 | 44 | 0 | 0 | 0 | 0 | 116 | ||
| 673 | A | 32.7 | Very low | 36.7 | Very low | 98 Ų | 98 | 161 Ų | 161 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 138.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 674 | H | 36.3 | Very low | 36.2 | Very low | 194 Ų | 194 | 160.2 Ų | 160.2 | 90% | 0.898 | 84% | 0.843 | S | S | * | * | trans | -158.7 | -173.2 | 135.1 | -139.9 | -108.8 | 0 | 0 | 0 | 111.2 | ||||
| 675 | A | 34.2 | Very low | 36.2 | Very low | 98 Ų | 98 | 153.6 Ų | 153.6 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | trans | 79.5 | 125 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 676 | L | 34.1 | Very low | 36.2 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | trans | -122.3 | 150.2 | -176.6 | -169.4 | 167.6 | 0 | 0 | 0 | 107.5 | ||||
| 677 | A | 36.6 | Very low | 36.3 | Very low | 83 Ų | 83 | 150 Ų | 150 | 69% | 0.686 | 83% | 0.828 | S | S | * | * | trans | 72.8 | 118.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 678 | Q | 40.1 | Very low | 36.3 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | -153.8 | 173.5 | 108.2 | -110.2 | -179.1 | 8.2 | 0 | 0 | 112.3 | |||||
| 679 | M | 36.2 | Very low | 36.2 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 78% | 0.778 | 83% | 0.831 | S | S | * | * | trans | -46.7 | 165.4 | -173.5 | -55.2 | 177.5 | -179.9 | 0 | 0 | 115.3 | ||||
| 680 | Q | 42.1 | Very low | 36 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | cis | -150.3 | 126.4 | 39.9 | -68.4 | 172.7 | -18 | 0 | 0 | 116.1 | ||||
| 681 | M | 36.2 | Very low | 35.5 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | 26 | 117.8 | 125 | -66 | -75.3 | -167.3 | 0 | 0 | 120.7 | |||||
| 682 | R | 35.7 | Very low | 35.1 | Very low | 236 Ų | 236 | 140.4 Ų | 140.4 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | -160.6 | 116.1 | 114.8 | -121.3 | -179.6 | 179.9 | -165.7 | -0.1 | 115.2 | |||||
| 683 | R | 34.2 | Very low | 34.6 | Very low | 238 Ų | 238 | 139.4 Ų | 139.4 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | trans | 39.2 | 111.8 | 153.4 | -70.6 | -175.6 | 170.4 | 179.6 | -4 | 120.3 | ||||
| 684 | G | 29.4 | Very low | 34.6 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -128.2 | 133.7 | 141 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 685 | S | 35.1 | Very low | 34.2 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -176.7 | 139.9 | -179.7 | -163 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 686 | L | 33.8 | Very low | 34.2 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | cis | -145.8 | -172 | -0.6 | -157.6 | 57.6 | 0 | 0 | 0 | 109.4 | ||||
| 687 | A | 35.8 | Very low | 34.1 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | trans | -30.3 | 160.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 688 | T | 36.3 | Very low | 33.9 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | cis | -151.4 | -173.4 | 47.3 | 50 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 689 | S | 32 | Very low | 33.6 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -100.1 | 152.9 | -177.8 | -174.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 690 | G | 33.1 | Very low | 33.5 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 83% | 0.825 | S | S | * | * | trans | 153 | 101.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 691 | S | 30.7 | Very low | 33.2 | Very low | 136 Ų | 136 | 126 Ų | 126 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | 64.3 | 108.4 | 77.6 | -164 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 692 | G | 32.3 | Very low | 33 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 171.2 | 127 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 693 | S | 30.5 | Very low | 32.9 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -124.9 | 165.7 | 177.2 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 694 | A | 31.7 | Very low | 32.9 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 64.2 | 129.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 695 | A | 29.1 | Very low | 33 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | cis | 89.8 | 81.7 | 39.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 696 | M | 33.3 | Very low | 33 | Very low | 184 Ų | 184 | 124 Ų | 124 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -141.3 | 124.6 | 148.5 | -80.2 | -65.2 | -144.5 | 0 | 0 | 105.7 | ||||
| 697 | A | 32 | Very low | 32.8 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | cis | 99 | 109.1 | 31.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 698 | A | 31.7 | Very low | 32.9 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 61.6 | 114.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 699 | V | 33.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -126.5 | 153.6 | 130.8 | 177.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 700 | A | 35 | Very low | 32.6 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | -37.8 | 145 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 701 | A | 35 | Very low | 32.6 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | cis | 64.9 | 140.4 | 46.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 702 | R | 33.4 | Very low | 32.7 | Very low | 215 Ų | 215 | 124.9 Ų | 124.9 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | cis | -146.2 | 171.6 | 24.7 | -68.7 | 174.3 | 166.3 | -177.7 | -3.8 | 112.3 | ||||
| 703 | R | 33 | Very low | 32.7 | Very low | 235 Ų | 235 | 125.1 Ų | 125.1 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | 19.7 | 141.7 | 146.1 | -58.2 | 171.5 | -178.9 | 179.7 | -2.1 | 119.7 | ||||
| 704 | G | 33.6 | Very low | 32.9 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 150.8 | 144.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 705 | S | 31.9 | Very low | 33 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 47 | 113.8 | 161 | 61.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 706 | L | 34.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | 173.9 | 151 | 110 | -89.5 | 160.1 | 0 | 0 | 0 | 112.1 | |||||
| 707 | F | 30.7 | Very low | 33.2 | Very low | 201 Ų | 201 | 125.8 Ų | 125.8 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -89.1 | 173.5 | 168.6 | -74.6 | -84.9 | 0 | 0 | 0 | 109.7 | ||||
| 708 | P | 36.5 | Very low | 33.2 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -145.2 | -179.8 | 16.3 | 45 | -25.9 | 0 | 0 | 0 | 118.6 | ||||
| 709 | A | 32 | Very low | 33.4 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | trans | 66.5 | 123 | 140.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 710 | T | 31.3 | Very low | 33.5 | Very low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | 57.7 | 113.6 | 139.7 | 57.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 711 | A | 31.6 | Very low | 33.3 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 178.8 | 143.2 | 109 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 712 | S | 33.5 | Very low | 33.2 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 48.4 | 148 | 148.1 | 55.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 713 | A | 33.1 | Very low | 33.3 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 79.2 | 87.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 714 | S | 33.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 92.5 | 144 | 119 | 80.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 715 | S | 34.3 | Very low | 33.8 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 94 | 131.4 | 153 | 84.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 716 | L | 34.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | 71.9 | 127.2 | 157.4 | -89.5 | 69.6 | 0 | 0 | 0 | 123 | ||||
| 717 | T | 32 | Very low | 33.9 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | 72.7 | 108.1 | 157.8 | 65.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 718 | S | 33.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -142.9 | 122.7 | 155.3 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 719 | A | 34.6 | Very low | 34.6 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 153.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 720 | P | 35.6 | Very low | 35.6 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.5 | -172.7 | 25.9 | -35.3 | 0 | 0 | 0 | 112.9 | ||
| 721 | R | 31.9 | Very low | 36.4 | Very low | 245 Ų | 245 | 131.5 Ų | 131.5 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 137.7 | 171.6 | -69.8 | -172 | 175 | -156.8 | 0.5 | 110.6 | S723 | R721-S723 PolarHBondContact O-N 2.89Š|
| 722 | R | 33.4 | Very low | 37.4 | Very low | 254 Ų | 254 | 135.4 Ų | 135.4 | 96% | 0.958 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130.9 | 178.2 | -125.5 | 178.6 | -179.3 | -145.8 | 1.6 | 111.4 | ||
| 723 | S | 34.1 | Very low | 38.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -76 | 154.2 | 174.3 | 45.6 | 0 | 0 | 0 | 0 | 112.6 | R721 | R721-S723 PolarHBondContact O-N 2.89Š|
| 724 | S | 35.6 | Very low | 39.1 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -88 | 130.2 | 173.8 | 43.9 | 0 | 0 | 0 | 0 | 111.5 | F726 S727 | S724-F726 PolarHBondContact O-N 3.32Å; S724-S727 PolarHBondContact O-OG 3.21Å; S724-S727 PolarHBondContact OG-OG 3.31Å |
| 725 | I | 41.7 | Very low | 39.9 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -3.4 | -169.3 | -69.7 | 170.6 | 0 | 0 | 0 | 114.6 | ||
| 726 | F | 32.8 | Very low | 40.8 | Very low | 209 Ų | 209 | 134.4 Ų | 134.4 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 41.4 | -174.8 | -78.3 | -76.5 | 0 | 0 | 0 | 114.2 | S724 | S724-F726 PolarHBondContact O-N 3.32Š|
| 727 | S | 36.2 | Very low | 41.4 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 50% | 0.503 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -138.2 | 131.4 | 174.7 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | S724 | S724-S727 PolarHBondContact O-OG 3.21Å; S724-S727 PolarHBondContact OG-OG 3.31Å |
| 728 | V | 38 | Very low | 42.5 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | trans | 70.3 | 89.2 | -175.5 | -167.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 729 | T | 44.5 | Very low | 43.5 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | trans | -85.9 | 124.7 | 159.7 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 730 | S | 51.6 | Low | 45 | Very low | 65 Ų | 65 | 134 Ų | 134 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | trans | -87.2 | 157.1 | 171.7 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | K732 D733 | S730-K732 PolarHBondContact O-N 3.32Å; S730-D733 PolarHBondContact N-OD2 3.3Å; S730-D733 PolarHBondContact O-N 3.05Å | ||
| 731 | E | 49.1 | Very low | 46.7 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -53.1 | -31.1 | 176 | -68.8 | 168 | 109.3 | 0 | 0 | 112.5 | D733 M734 | E731-D733 PolarHBondContact O-N 3.49Å; E731-M734 WeakPolarHBondContact O-CB 3.33Å; E731-M734 PolarHBondContact O-N 3Å |
| 732 | K | 51.7 | Low | 48.4 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 75% | 0.752 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -60.8 | -25 | 177.8 | -65.9 | -178.2 | 178.9 | 177.9 | 0 | 114 | S730 M734 | S730-K732 PolarHBondContact O-N 3.32Å; K732-M734 VanDerWaalsContact C-N 3.33Å |
| 733 | D | 51.4 | Low | 49.8 | Very low | 85 Ų | 85 | 116.3 Ų | 116.3 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -79.4 | -17.4 | 176.2 | -58.5 | -44.4 | 0 | 0 | 0 | 112.4 | S730 E731 | S730-D733 PolarHBondContact N-OD2 3.3Å; S730-D733 PolarHBondContact O-N 3.05Å; E731-D733 PolarHBondContact O-N 3.49Å |
| 734 | M | 50.4 | Low | 51.4 | Low | 124 Ų | 124 | 113.9 Ų | 113.9 | 61% | 0.611 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.8 | -44.5 | -177.4 | -147.8 | 175 | 81.5 | 0 | 0 | 111.1 | E731 K732 V736 L737 | E731-M734 WeakPolarHBondContact O-CB 3.33Å; E731-M734 PolarHBondContact O-N 3Å; K732-M734 VanDerWaalsContact C-N 3.33Å; M734-V736 PolarHBondContact O-N 3.25Å; M734-V736 VanDerWaalsContact O-N 3.17Å; M734-L737 WeakPolarHBondContact O-CB 3.34Å; M734-L737 PolarHBondContact O-N 3.31Å |
| 735 | N | 50.7 | Low | 53 | Low | 101 Ų | 101 | 115.1 Ų | 115.1 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.4 | -16.9 | 178.4 | -59.5 | 18.3 | 0 | 0 | 0 | 113.1 | ||
| 736 | V | 54 | Low | 54.5 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 53% | 0.527 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.2 | -34.3 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 111 | M734 E738 Q739 T740 | M734-V736 PolarHBondContact O-N 3.25Å; M734-V736 VanDerWaalsContact O-N 3.17Å; V736-E738 VanDerWaalsContact C-N 3.33Å; V736-E738 PolarHBondContact O-N 3.43Å; V736-Q739 PolarHBondContact O-N 3.1Å; V736-T740 PolarHBondContact O-N 2.82Å |
| 737 | L | 46.8 | Very low | 56.1 | Low | 99 Ų | 99 | 108.3 Ų | 108.3 | 52% | 0.518 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73 | -23.7 | -178.9 | -71 | 164.2 | 0 | 0 | 0 | 113.1 | M734 Q739 T740 | M734-L737 WeakPolarHBondContact O-CB 3.34Å; M734-L737 PolarHBondContact O-N 3.31Å; L737-Q739 VanDerWaalsContact C-N 3.25Å; L737-Q739 PolarHBondContact O-N 3.16Å; L737-T740 PolarHBondContact O-OG1 3.26Å; L737-T740 VanDerWaalsContact O-OG1 3.07Å |
| 738 | E | 55.2 | Low | 57.7 | Low | 155 Ų | 155 | 107.5 Ų | 107.5 | 72% | 0.724 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -17.6 | 173.3 | -62.5 | -173.4 | 149.4 | 0 | 0 | 112.8 | V736 | V736-E738 VanDerWaalsContact C-N 3.33Å; V736-E738 PolarHBondContact O-N 3.43Å |
| 739 | Q | 55.4 | Low | 59.2 | Low | 160 Ų | 160 | 106.4 Ų | 106.4 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -5.7 | -178.3 | -61.9 | -169.3 | -5.1 | 0 | 0 | 114.2 | V736 L737 T741 | V736-Q739 PolarHBondContact O-N 3.1Å; L737-Q739 VanDerWaalsContact C-N 3.25Å; L737-Q739 PolarHBondContact O-N 3.16Å; Q739-T741 PolarHBondContact O-N 2.89Å; Q739-T741 VanDerWaalsContact O-N 3.08Å |
| 740 | T | 64.1 | Low | 60.5 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | trans | -70.5 | 104.4 | 177.4 | 41.4 | 0 | 0 | 0 | 0 | 112 | V736 L737 | V736-T740 PolarHBondContact O-N 2.82Å; L737-T740 PolarHBondContact O-OG1 3.26Å; L737-T740 VanDerWaalsContact O-OG1 3.07Å | ||
| 741 | T | 72.7 | Confident | 61.5 | Low | 74 Ų | 74 | 108.2 Ų | 108.2 | 45% | 0.454 | 56% | 0.561 | S | S | . | * | trans | -73.6 | 160.3 | 177.6 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | Q739 A743 D744 L745 | Q739-T741 PolarHBondContact O-N 2.89Å; Q739-T741 VanDerWaalsContact O-N 3.08Å; T741-A743 PolarHBondContact O-N 3.5Å; T741-A743 VanDerWaalsContact O-N 3.15Å; T741-A743 PolarHBondContact OG1-N 2.81Å; T741-D744 PolarHBondContact N-OD2 3.45Å; T741-D744 PolarHBondContact O-N 3.04Å; T741-D744 PolarHBondContact OG1-N 3.41Å; T741-D744 PolarHBondContact OG1-OD2 2.94Å; T741-L745 PolarHBondContact O-N 3.29Å; T741-L745 VanDerWaalsContact O-N 3.17Å | ||
| 742 | I | 66.8 | Low | 62.5 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 70% | 0.703 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55.9 | -32.5 | 174.5 | -61.1 | 174.4 | 0 | 0 | 0 | 111.3 | L745 I746 | I742-L745 PolarHBondContact O-N 2.85Å; I742-I746 HydrophobicContact CG2-CD1 3.99Å; I742-I746 HydrophobicContact CG2-CG1 4.45Å; I742-I746 WeakPolarHBondContact O-CG1 3.35Å; I742-I746 PolarHBondContact O-N 3.35Å |
| 743 | A | 64.1 | Low | 63.2 | Low | 49 Ų | 49 | 101.8 Ų | 101.8 | 41% | 0.405 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.3 | -34.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T741 R747 | T741-A743 PolarHBondContact O-N 3.5Å; T741-A743 VanDerWaalsContact O-N 3.15Å; T741-A743 PolarHBondContact OG1-N 2.81Å; A743-R747 PolarHBondContact O-N 3.48Å; A743-R747 VanDerWaalsContact O-N 3.1Å |
| 744 | D | 67.9 | Low | 64.3 | Low | 59 Ų | 59 | 101.1 Ų | 101.1 | 32% | 0.316 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 173.8 | -60.5 | -58.3 | 0 | 0 | 0 | 111.3 | T741 R747 A748 | T741-D744 PolarHBondContact N-OD2 3.45Å; T741-D744 PolarHBondContact O-N 3.04Å; T741-D744 PolarHBondContact OG1-N 3.41Å; T741-D744 PolarHBondContact OG1-OD2 2.94Å; D744-R747 PolarHBondContact O-N 2.9Å; D744-R747 IonicContact OD1-CZ 2.71Å; D744-R747 IonicContact OD1-NH1 3.71Å; D744-R747 PolarHBondContact OD1-NH1 2.84Å; D744-R747 IonicContact OD1-NH2 2.65Å; D744-R747 PolarHBondContact OD1-NH2 3.29Å; D744-A748 WeakPolarHBondContact O-CB 3.5Å; D744-A748 PolarHBondContact O-N 3.25Å |
| 745 | L | 68.8 | Low | 65.3 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -38.2 | 174.6 | -168 | 124.7 | 0 | 0 | 0 | 112.2 | T741 I742 A748 L749 | T741-L745 PolarHBondContact O-N 3.29Å; T741-L745 VanDerWaalsContact O-N 3.17Å; I742-L745 PolarHBondContact O-N 2.85Å; L745-A748 PolarHBondContact O-N 3.25Å; L745-L749 HydrophobicContact CD2-CD1 4.27Å; L745-L749 WeakPolarHBondContact O-CB 3.33Å; L745-L749 PolarHBondContact O-N 3.23Å |
| 746 | I | 72 | Confident | 66.2 | Low | 101 Ų | 101 | 98.8 Ų | 98.8 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 173.1 | -70.1 | 166.1 | 0 | 0 | 0 | 110.8 | I742 A748 L749 E750 | I742-I746 HydrophobicContact CG2-CD1 3.99Å; I742-I746 HydrophobicContact CG2-CG1 4.45Å; I742-I746 WeakPolarHBondContact O-CG1 3.35Å; I742-I746 PolarHBondContact O-N 3.35Å; I746-A748 VanDerWaalsContact C-N 3.31Å; I746-A748 PolarHBondContact O-N 2.94Å; I746-L749 WeakPolarHBondContact O-CB 3.31Å; I746-L749 PolarHBondContact O-N 3.16Å; I746-E750 PolarHBondContact O-N 3.11Å |
| 747 | R | 67.6 | Low | 67.1 | Low | 123 Ų | 123 | 96.6 Ų | 96.6 | 46% | 0.464 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 177 | -80.1 | -174.3 | -90.1 | 98.7 | 3 | 112.5 | A743 D744 E750 V751 | A743-R747 PolarHBondContact O-N 3.48Å; A743-R747 VanDerWaalsContact O-N 3.1Å; D744-R747 PolarHBondContact O-N 2.9Å; D744-R747 IonicContact OD1-CZ 2.71Å; D744-R747 IonicContact OD1-NH1 3.71Å; D744-R747 PolarHBondContact OD1-NH1 2.84Å; D744-R747 IonicContact OD1-NH2 2.65Å; D744-R747 PolarHBondContact OD1-NH2 3.29Å; R747-E750 PolarHBondContact O-N 2.96Å; R747-V751 WeakPolarHBondContact O-CG2 3.24Å; R747-V751 PolarHBondContact O-N 3.38Å; R747-V751 VanDerWaalsContact O-N 3.08Å |
| 748 | A | 69.4 | Low | 68.4 | Low | 56 Ų | 56 | 96.1 Ų | 96.1 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D744 L745 I746 E750 V751 V752 | D744-A748 WeakPolarHBondContact O-CB 3.5Å; D744-A748 PolarHBondContact O-N 3.25Å; L745-A748 PolarHBondContact O-N 3.25Å; I746-A748 VanDerWaalsContact C-N 3.31Å; I746-A748 PolarHBondContact O-N 2.94Å; A748-E750 VanDerWaalsContact C-N 3.33Å; A748-E750 PolarHBondContact O-N 3.33Å; A748-V751 PolarHBondContact O-N 3.2Å; A748-V752 WeakPolarHBondContact O-CG2 3.34Å; A748-V752 PolarHBondContact O-N 3.3Å |
| 749 | L | 68.7 | Low | 69.1 | Low | 116 Ų | 116 | 92.9 Ų | 92.9 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 175 | -108.1 | 160.3 | 0 | 0 | 0 | 112.3 | L745 I746 V752 H753 | L745-L749 HydrophobicContact CD2-CD1 4.27Å; L745-L749 WeakPolarHBondContact O-CB 3.33Å; L745-L749 PolarHBondContact O-N 3.23Å; I746-L749 WeakPolarHBondContact O-CB 3.31Å; I746-L749 PolarHBondContact O-N 3.16Å; L749-V752 PolarHBondContact O-N 3.09Å; L749-H753 WeakPolarHBondContact O-CB 3.46Å; L749-H753 PolarHBondContact O-N 3.47Å |
| 750 | E | 72 | Confident | 69.8 | Low | 130 Ų | 130 | 91.4 Ų | 91.4 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 177.1 | -171.1 | 168.9 | -147.8 | 0 | 0 | 112.1 | I746 R747 A748 H753 T754 | I746-E750 PolarHBondContact O-N 3.11Å; R747-E750 PolarHBondContact O-N 2.96Å; A748-E750 VanDerWaalsContact C-N 3.33Å; A748-E750 PolarHBondContact O-N 3.33Å; E750-H753 PolarHBondContact O-N 3.18Å; E750-T754 PolarHBondContact O-N 3.12Å; E750-T754 PolarHBondContact O-OG1 3.33Å |
| 751 | V | 73.6 | Confident | 69.8 | Low | 83 Ų | 83 | 93.9 Ų | 93.9 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | R747 A748 H753 T754 H755 | R747-V751 WeakPolarHBondContact O-CG2 3.24Å; R747-V751 PolarHBondContact O-N 3.38Å; R747-V751 VanDerWaalsContact O-N 3.08Å; A748-V751 PolarHBondContact O-N 3.2Å; V751-H753 VanDerWaalsContact C-N 3.34Å; V751-T754 PolarHBondContact O-OG1 3.06Å; V751-H755 PolarHBondContact O-N 3.29Å |
| 752 | V | 70 | Confident | 69.5 | Low | 102 Ų | 102 | 97 Ų | 97 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -37.7 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | A748 L749 A756 | A748-V752 WeakPolarHBondContact O-CG2 3.34Å; A748-V752 PolarHBondContact O-N 3.3Å; L749-V752 PolarHBondContact O-N 3.09Å; V752-A756 WeakPolarHBondContact O-CB 3.28Å; V752-A756 PolarHBondContact O-N 3Å; V752-A756 VanDerWaalsContact O-N 3.09Å |
| 753 | H | 65.4 | Low | 69.3 | Low | 109 Ų | 109 | 97.2 Ų | 97.2 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 178 | -168.7 | -73 | 0 | 0 | 0 | 112.6 | L749 E750 V751 V757 | L749-H753 WeakPolarHBondContact O-CB 3.46Å; L749-H753 PolarHBondContact O-N 3.47Å; E750-H753 PolarHBondContact O-N 3.18Å; V751-H753 VanDerWaalsContact C-N 3.34Å; H753-V757 WeakPolarHBondContact O-CG2 3.45Å; H753-V757 PolarHBondContact O-N 3.1Å |
| 754 | T | 74.8 | Confident | 69.2 | Low | 70 Ų | 70 | 98 Ų | 98 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 175.6 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | E750 V751 A756 V757 L758 | E750-T754 PolarHBondContact O-N 3.12Å; E750-T754 PolarHBondContact O-OG1 3.33Å; V751-T754 PolarHBondContact O-OG1 3.06Å; T754-A756 PolarHBondContact O-N 3.25Å; T754-V757 PolarHBondContact O-N 3.46Å; T754-L758 WeakPolarHBondContact O-CG 3.17Å; T754-L758 PolarHBondContact O-N 3.19Å |
| 755 | H | 71 | Confident | 68.9 | Low | 120 Ų | 120 | 98.4 Ų | 98.4 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -45.5 | 175.3 | -99.2 | -76.9 | 0 | 0 | 0 | 113.2 | V751 V757 L758 D759 | V751-H755 PolarHBondContact O-N 3.29Å; H755-V757 VanDerWaalsContact C-N 3.32Å; H755-V757 PolarHBondContact O-N 3.03Å; H755-L758 PolarHBondContact O-N 3.23Å; H755-D759 PolarHBondContact O-N 3.46Å |
| 756 | A | 70.7 | Confident | 68.3 | Low | 56 Ų | 56 | 96.5 Ų | 96.5 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V752 T754 E760 | V752-A756 WeakPolarHBondContact O-CB 3.28Å; V752-A756 PolarHBondContact O-N 3Å; V752-A756 VanDerWaalsContact O-N 3.09Å; T754-A756 PolarHBondContact O-N 3.25Å; A756-E760 PolarHBondContact O-N 2.81Å; A756-E760 VanDerWaalsContact O-N 3.14Å |
| 757 | V | 73.5 | Confident | 67.4 | Low | 41 Ų | 41 | 95.2 Ų | 95.2 | 25% | 0.248 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -71.3 | -35.8 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | H753 T754 H755 E760 Q761 | H753-V757 WeakPolarHBondContact O-CG2 3.45Å; H753-V757 PolarHBondContact O-N 3.1Å; T754-V757 PolarHBondContact O-N 3.46Å; H755-V757 VanDerWaalsContact C-N 3.32Å; H755-V757 PolarHBondContact O-N 3.03Å; V757-E760 PolarHBondContact O-N 3.35Å; V757-Q761 WeakPolarHBondContact O-CG 3.36Å; V757-Q761 PolarHBondContact O-N 3.19Å |
| 758 | L | 72.5 | Confident | 66.6 | Low | 90 Ų | 90 | 92 Ų | 92 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 175.5 | -73.5 | 167.4 | 0 | 0 | 0 | 112 | T754 H755 Q761 Q762 | T754-L758 WeakPolarHBondContact O-CG 3.17Å; T754-L758 PolarHBondContact O-N 3.19Å; H755-L758 PolarHBondContact O-N 3.23Å; L758-Q761 PolarHBondContact O-N 3.34Å; L758-Q762 PolarHBondContact O-N 3.3Å |
| 759 | D | 70 | Confident | 65.5 | Low | 86 Ų | 86 | 92 Ų | 92 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 174.4 | -84.5 | -18.6 | 0 | 0 | 0 | 111.6 | H755 Q762 Q763 | H755-D759 PolarHBondContact O-N 3.46Å; D759-Q762 PolarHBondContact O-N 3.09Å; D759-Q763 WeakPolarHBondContact O-CB 3.18Å; D759-Q763 VanDerWaalsContact O-CG 3.31Å; D759-Q763 WeakPolarHBondContact O-CG 3.22Å; D759-Q763 PolarHBondContact O-N 3.13Å |
| 760 | E | 70.3 | Confident | 64.3 | Low | 130 Ų | 130 | 90.9 Ų | 90.9 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.4 | -39.5 | 176.6 | -166.8 | 175.4 | -162.5 | 0 | 0 | 111.5 | A756 V757 A764 | A756-E760 PolarHBondContact O-N 2.81Å; A756-E760 VanDerWaalsContact O-N 3.14Å; V757-E760 PolarHBondContact O-N 3.35Å; E760-A764 WeakPolarHBondContact O-CB 3.34Å; E760-A764 PolarHBondContact O-N 2.94Å |
| 761 | Q | 65 | Low | 62.9 | Low | 128 Ų | 128 | 89.1 Ų | 89.1 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.9 | -42 | 173.1 | -79.4 | -167.6 | -36.3 | 0 | 0 | 113 | V757 L758 A764 A765 | V757-Q761 WeakPolarHBondContact O-CG 3.36Å; V757-Q761 PolarHBondContact O-N 3.19Å; L758-Q761 PolarHBondContact O-N 3.34Å; Q761-A764 PolarHBondContact O-N 3.39Å; Q761-A765 WeakPolarHBondContact O-CB 3.47Å; Q761-A765 PolarHBondContact O-N 2.94Å |
| 762 | Q | 65.7 | Low | 61 | Low | 139 Ų | 139 | 88.8 Ų | 88.8 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.6 | -36.1 | 177.2 | -78.1 | -171.1 | -31.4 | 0 | 0 | 112.1 | L758 D759 A765 A766 | L758-Q762 PolarHBondContact O-N 3.3Å; D759-Q762 PolarHBondContact O-N 3.09Å; Q762-A765 PolarHBondContact O-N 3.46Å; Q762-A766 VanDerWaalsContact O-CB 3.27Å; Q762-A766 WeakPolarHBondContact O-CB 3.38Å; Q762-A766 PolarHBondContact O-N 3.39Å |
| 763 | Q | 62.5 | Low | 59.2 | Low | 143 Ų | 143 | 87.8 Ų | 87.8 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 173.7 | -70.7 | 177.5 | 33.4 | 0 | 0 | 112.1 | D759 A766 A767 | D759-Q763 WeakPolarHBondContact O-CB 3.18Å; D759-Q763 VanDerWaalsContact O-CG 3.31Å; D759-Q763 WeakPolarHBondContact O-CG 3.22Å; D759-Q763 PolarHBondContact O-N 3.13Å; Q763-A766 PolarHBondContact O-N 3.33Å; Q763-A767 WeakPolarHBondContact O-CB 3.43Å; Q763-A767 PolarHBondContact O-N 3.01Å |
| 764 | A | 63 | Low | 57.8 | Low | 64 Ų | 64 | 86.4 Ų | 86.4 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64 | -42.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E760 Q761 A767 G768 | E760-A764 WeakPolarHBondContact O-CB 3.34Å; E760-A764 PolarHBondContact O-N 2.94Å; Q761-A764 PolarHBondContact O-N 3.39Å; A764-A767 PolarHBondContact O-N 3.44Å; A764-G768 PolarHBondContact O-N 2.87Å |
| 765 | A | 61.3 | Low | 56.1 | Low | 69 Ų | 69 | 87 Ų | 87 | 57% | 0.57 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.8 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q761 Q762 G768 G769 | Q761-A765 WeakPolarHBondContact O-CB 3.47Å; Q761-A765 PolarHBondContact O-N 2.94Å; Q762-A765 PolarHBondContact O-N 3.46Å; A765-G768 PolarHBondContact O-N 3.17Å; A765-G769 PolarHBondContact O-N 3.41Å |
| 766 | A | 55.7 | Low | 54.3 | Low | 70 Ų | 70 | 89.7 Ų | 89.7 | 58% | 0.579 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.5 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q762 Q763 G769 A770 | Q762-A766 VanDerWaalsContact O-CB 3.27Å; Q762-A766 WeakPolarHBondContact O-CB 3.38Å; Q762-A766 PolarHBondContact O-N 3.39Å; Q763-A766 PolarHBondContact O-N 3.33Å; A766-G769 PolarHBondContact O-N 2.97Å; A766-A770 PolarHBondContact O-N 3.45Å |
| 767 | A | 53.8 | Low | 52.9 | Low | 75 Ų | 75 | 92.7 Ų | 92.7 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.5 | -37.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q763 A764 | Q763-A767 WeakPolarHBondContact O-CB 3.43Å; Q763-A767 PolarHBondContact O-N 3.01Å; A764-A767 PolarHBondContact O-N 3.44Å |
| 768 | G | 49.6 | Very low | 51 | Low | 54 Ų | 54 | 102.9 Ų | 102.9 | 56% | 0.557 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.7 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A764 A765 A770 | A764-G768 PolarHBondContact O-N 2.87Å; A765-G768 PolarHBondContact O-N 3.17Å; G768-A770 VanDerWaalsContact C-N 3.3Å; G768-A770 PolarHBondContact O-N 3.2Å |
| 769 | G | 45.6 | Very low | 49.1 | Very low | 58 Ų | 58 | 102.3 Ų | 102.3 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -67.6 | -24.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A765 A766 A771 | A765-G769 PolarHBondContact O-N 3.41Å; A766-G769 PolarHBondContact O-N 2.97Å; G769-A771 PolarHBondContact O-N 2.93Å; G769-A771 VanDerWaalsContact O-N 3.16Å |
| 770 | A | 44.5 | Very low | 47.6 | Very low | 92 Ų | 92 | 104 Ų | 104 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -2.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A766 G768 | A766-A770 PolarHBondContact O-N 3.45Å; G768-A770 VanDerWaalsContact C-N 3.3Å; G768-A770 PolarHBondContact O-N 3.2Å |
| 771 | A | 42.2 | Very low | 45.7 | Very low | 92 Ų | 92 | 109.2 Ų | 109.2 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -4.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G769 G773 | G769-A771 PolarHBondContact O-N 2.93Å; G769-A771 VanDerWaalsContact O-N 3.16Å; A771-G773 PolarHBondContact O-N 3.43Å |
| 772 | G | 33.3 | Very low | 44.3 | Very low | 76 Ų | 76 | 113 Ų | 113 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | -95.2 | 80.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 773 | G | 33.1 | Very low | 42.7 | Very low | 82 Ų | 82 | 114.8 Ų | 114.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -151.8 | 59.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | A771 | A771-G773 PolarHBondContact O-N 3.43Š| ||
| 774 | G | 36.8 | Very low | 41.2 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | 171.2 | 142.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 775 | G | 37.4 | Very low | 39.7 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 78.3 | 95.1 | 155 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 776 | I | 34.9 | Very low | 38.4 | Very low | 177 Ų | 177 | 130 Ų | 130 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -84.7 | 124.4 | 167 | -61.6 | 167.1 | 0 | 0 | 0 | 110 | ||||
| 777 | S | 39.4 | Very low | 37.2 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -157 | 157.3 | 150.2 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 778 | R | 34.1 | Very low | 36.2 | Very low | 255 Ų | 255 | 134.9 Ų | 134.9 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | trans | -98.6 | 145.4 | -173.9 | -68 | 159.2 | 136.2 | 173.1 | -7.4 | 110.9 | ||||
| 779 | G | 33.9 | Very low | 35.5 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -175.7 | 90.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 780 | S | 37.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | 39.9 | 94.8 | 147.4 | -148.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 781 | R | 31.3 | Very low | 34.2 | Very low | 240 Ų | 240 | 142 Ų | 142 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | trans | -22.2 | 118.7 | 143.4 | -177.7 | -166.7 | -153.7 | 178.3 | 7.4 | 117 | ||||
| 782 | K | 34.8 | Very low | 33.8 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 90% | 0.9 | 85% | 0.846 | S | S | * | * | trans | -159.5 | 168.1 | 146.5 | -116.2 | 166.6 | -173.3 | 177 | 0 | 113.8 | ||||
| 783 | Q | 32.2 | Very low | 34.3 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -96.4 | 168.4 | -163.2 | -56.4 | 162.1 | -54.2 | 0 | 0 | 114.8 | ||||
| 784 | R | 31.8 | Very low | 34.5 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | 113.6 | 152.8 | 152.4 | -65.7 | 171.2 | 173.7 | -164.2 | -3.1 | 114.5 | ||||
| 785 | K | 30.9 | Very low | 34.4 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | cis | -173.5 | 118.1 | -31.9 | 172.1 | -177.4 | 174 | -174.6 | 0 | 105.8 | ||||
| 786 | M | 33 | Very low | 34.5 | Very low | 178 Ų | 178 | 153.7 Ų | 153.7 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | 44.8 | 124.5 | 166.5 | -74.9 | 171.3 | 153.4 | 0 | 0 | 120 | ||||
| 787 | G | 32.4 | Very low | 34.6 | Very low | 76 Ų | 76 | 149.6 Ų | 149.6 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -144.3 | 126.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 788 | N | 31.4 | Very low | 34.5 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -77.6 | 137.4 | -178.3 | -78.1 | -15.9 | 0 | 0 | 0 | 111.3 | ||||
| 789 | A | 34.8 | Very low | 34.8 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -135.6 | 113.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 790 | G | 29 | Very low | 35.1 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -73.2 | 135 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 791 | L | 34.2 | Very low | 35.3 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -118.7 | 91.8 | 165.9 | -87.5 | 164.8 | 0 | 0 | 0 | 108 | ||||
| 792 | E | 34.6 | Very low | 35.6 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | trans | -69.3 | 131.9 | 170.8 | -163.7 | -173 | -169.9 | 0 | 0 | 109.4 | Q795 | E792-Q795 PolarHBondContact OE1-NE2 3.45Š| ||
| 793 | P | 44.1 | Very low | 35.7 | Very low | 98 Ų | 98 | 131 Ų | 131 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -68.4 | 146.8 | 168.2 | 30.6 | -34.1 | 0 | 0 | 0 | 109.7 | Q795 | P793-Q795 PolarHBondContact O-N 3.25Š| ||
| 794 | P | 37.4 | Very low | 35.8 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | trans | -63.5 | 114.6 | -177.8 | 26.3 | -34.2 | 0 | 0 | 0 | 110.8 | L796 | P794-L796 PolarHBondContact O-N 2.83Š| ||
| 795 | Q | 34.3 | Very low | 35.9 | Very low | 156 Ų | 156 | 117.4 Ų | 117.4 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | trans | -61.2 | 124.5 | 171.2 | -59.6 | -169.9 | 21.2 | 0 | 0 | 109.1 | E792 P793 | E792-Q795 PolarHBondContact OE1-NE2 3.45Å; P793-Q795 PolarHBondContact O-N 3.25Å | ||
| 796 | L | 39.1 | Very low | 36.2 | Very low | 143 Ų | 143 | 114.8 Ų | 114.8 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -109 | 142.3 | 171.3 | -73.6 | 171.5 | 0 | 0 | 0 | 108.1 | P794 | P794-L796 PolarHBondContact O-N 2.83Š| ||
| 797 | P | 36.3 | Very low | 36.6 | Very low | 92 Ų | 92 | 114 Ų | 114 | 60% | 0.597 | 68% | 0.682 | S | S | * | * | trans | -64.3 | 149 | -174.2 | 26.9 | -35.2 | 0 | 0 | 0 | 111.8 | ||||
| 798 | P | 37.1 | Very low | 37.3 | Very low | 70 Ų | 70 | 114.6 Ų | 114.6 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | trans | -62.2 | 154.7 | 179.4 | 25.4 | -34.1 | 0 | 0 | 0 | 112.3 | A138 L800 S801 | A138-P798 HydrophobicContact CB-CB 4.32Å; P798-L800 PolarHBondContact O-N 2.92Å; P798-S801 WeakPolarHBondContact O-CB 3.25Å; P798-S801 PolarHBondContact O-N 2.75Å; P798-S801 PolarHBondContact O-OG 3.05Å | ||
| 799 | I | 40.9 | Very low | 37.9 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 54% | 0.538 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -62.3 | -20 | -167.4 | -69.3 | 172.2 | 0 | 0 | 0 | 113.5 | T262 S801 L802 | T262-I799 HydrophobicContact CG2-CD1 4.02Å; I799-S801 PolarHBondContact O-N 3.4Å; I799-S801 VanDerWaalsContact O-N 3.09Å; I799-L802 WeakPolarHBondContact O-CB 3.32Å; I799-L802 PolarHBondContact O-N 2.97Å |
| 800 | L | 40.4 | Very low | 38.4 | Very low | 79 Ų | 79 | 113.4 Ų | 113.4 | 41% | 0.414 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -56.5 | -22.8 | 171.5 | -77.4 | 169 | 0 | 0 | 0 | 113.8 | P798 L802 | P798-L800 PolarHBondContact O-N 2.92Å; L800-L802 PolarHBondContact O-N 3.26Å |
| 801 | S | 40.4 | Very low | 38.9 | Very low | 62 Ų | 62 | 115.7 Ų | 115.7 | 43% | 0.434 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -64.8 | -12.3 | 172.5 | 58 | 0 | 0 | 0 | 0 | 114.6 | P798 I799 F803 A804 | P798-S801 WeakPolarHBondContact O-CB 3.25Å; P798-S801 PolarHBondContact O-N 2.75Å; P798-S801 PolarHBondContact O-OG 3.05Å; I799-S801 PolarHBondContact O-N 3.4Å; I799-S801 VanDerWaalsContact O-N 3.09Å; S801-F803 PolarHBondContact O-N 3.09Å; S801-A804 PolarHBondContact O-N 3.01Å |
| 802 | L | 38.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 60% | 0.602 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -65.7 | -20 | -178.9 | -164.8 | 69.1 | 0 | 0 | 0 | 113.8 | I799 L800 R809 | I799-L802 WeakPolarHBondContact O-CB 3.32Å; I799-L802 PolarHBondContact O-N 2.97Å; L800-L802 PolarHBondContact O-N 3.26Å; L802-R809 VanDerWaalsContact CD1-NH2 3.33Å |
| 803 | F | 37.9 | Very low | 39.8 | Very low | 198 Ų | 198 | 110 Ų | 110 | 87% | 0.868 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -87 | -1.8 | 177.3 | -74.9 | -82.6 | 0 | 0 | 0 | 114.2 | S801 | S801-F803 PolarHBondContact O-N 3.09Š|
| 804 | A | 33.5 | Very low | 39.6 | Very low | 73 Ų | 73 | 108 Ų | 108 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -112.2 | 100.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | S801 | S801-A804 PolarHBondContact O-N 3.01Š|
| 805 | G | 32.9 | Very low | 39.8 | Very low | 57 Ų | 57 | 104.5 Ų | 104.5 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | trans | 68 | 109.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q807 | G805-Q807 PolarHBondContact O-N 3.23Š| ||
| 806 | D | 38.4 | Very low | 40.2 | Very low | 126 Ų | 126 | 99.3 Ų | 99.3 | 67% | 0.674 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 15 | -178.7 | -149.9 | 27.2 | 0 | 0 | 0 | 115.2 | R809 | D806-R809 IonicContact OD1-NH1 3.09Š|
| 807 | Q | 40.5 | Very low | 40.3 | Very low | 161 Ų | 161 | 99.2 Ų | 99.2 | 75% | 0.752 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -25.9 | -179.9 | -64.9 | -169 | -0.5 | 0 | 0 | 114 | G805 R809 T810 | G805-Q807 PolarHBondContact O-N 3.23Å; Q807-R809 PolarHBondContact O-N 3.09Å; Q807-T810 PolarHBondContact O-OG1 2.86Å; Q807-T810 VanDerWaalsContact O-OG1 3.06Å |
| 808 | T | 46.9 | Very low | 40.5 | Very low | 88 Ų | 88 | 105 Ų | 105 | 54% | 0.54 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.3 | -34.9 | -178.1 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | T810 Q812 | T808-T810 PolarHBondContact O-N 3.38Å; T808-Q812 PolarHBondContact O-N 3.45Å; T808-Q812 VanDerWaalsContact O-N 3.14Å |
| 809 | R | 44 | Very low | 40.4 | Very low | 150 Ų | 150 | 107.7 Ų | 107.7 | 57% | 0.566 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.1 | -30.3 | -175.5 | -74.7 | 176.9 | 165.6 | 162 | -1.6 | 114.1 | L802 D806 Q807 A813 | L802-R809 VanDerWaalsContact CD1-NH2 3.33Å; D806-R809 IonicContact OD1-NH1 3.09Å; Q807-R809 PolarHBondContact O-N 3.09Å; R809-A813 VanDerWaalsContact O-CB 3.3Å; R809-A813 WeakPolarHBondContact O-CB 3.38Å; R809-A813 PolarHBondContact O-N 3.44Å |
| 810 | T | 45.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 112.5 Ų | 112.5 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.3 | -43.6 | 178.8 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | Q807 T808 A813 A814 | Q807-T810 PolarHBondContact O-OG1 2.86Å; Q807-T810 VanDerWaalsContact O-OG1 3.06Å; T808-T810 PolarHBondContact O-N 3.38Å; T810-A813 PolarHBondContact O-N 3.13Å; T810-A814 WeakPolarHBondContact O-CB 3.45Å; T810-A814 PolarHBondContact O-N 3.11Å |
| 811 | L | 40.8 | Very low | 39.8 | Very low | 129 Ų | 129 | 112.9 Ų | 112.9 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66 | -44.8 | 178 | -71.6 | 172.1 | 0 | 0 | 0 | 112.2 | A813 A814 A815 | L811-A813 PolarHBondContact O-N 3.25Å; L811-A814 PolarHBondContact O-N 3.28Å; L811-A815 WeakPolarHBondContact O-CB 3.38Å; L811-A815 PolarHBondContact O-N 3.23Å |
| 812 | Q | 45.9 | Very low | 39.3 | Very low | 144 Ų | 144 | 121 Ų | 121 | 67% | 0.673 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.7 | -36.5 | 176.6 | -76 | -172.8 | -22.4 | 0 | 0 | 112.8 | T808 A815 A816 | T808-Q812 PolarHBondContact O-N 3.45Å; T808-Q812 VanDerWaalsContact O-N 3.14Å; Q812-A815 PolarHBondContact O-N 2.87Å; Q812-A816 VanDerWaalsContact O-CB 3.29Å; Q812-A816 WeakPolarHBondContact O-CB 3.31Å; Q812-A816 PolarHBondContact O-N 3.07Å |
| 813 | A | 41.8 | Very low | 38.8 | Very low | 52 Ų | 52 | 127 Ų | 127 | 43% | 0.43 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.6 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R809 T810 L811 N817 | R809-A813 VanDerWaalsContact O-CB 3.3Å; R809-A813 WeakPolarHBondContact O-CB 3.38Å; R809-A813 PolarHBondContact O-N 3.44Å; T810-A813 PolarHBondContact O-N 3.13Å; L811-A813 PolarHBondContact O-N 3.25Å; A813-N817 PolarHBondContact O-N 2.91Å; A813-N817 PolarHBondContact O-ND2 3.47Å |
| 814 | A | 39.5 | Very low | 38.8 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.7 | -37.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T810 L811 R818 | T810-A814 WeakPolarHBondContact O-CB 3.45Å; T810-A814 PolarHBondContact O-N 3.11Å; L811-A814 PolarHBondContact O-N 3.28Å; A814-R818 PolarHBondContact O-N 3.14Å |
| 815 | A | 41.1 | Very low | 38.8 | Very low | 42 Ų | 42 | 124.5 Ų | 124.5 | 35% | 0.347 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.2 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L811 Q812 N817 R818 L819 | L811-A815 WeakPolarHBondContact O-CB 3.38Å; L811-A815 PolarHBondContact O-N 3.23Å; Q812-A815 PolarHBondContact O-N 2.87Å; A815-N817 VanDerWaalsContact C-N 3.33Å; A815-N817 PolarHBondContact O-N 3.47Å; A815-R818 CarbonylContact O-C 3.3Å; A815-R818 WeakPolarHBondContact O-CA 3.49Å; A815-R818 PolarHBondContact O-N 3.08Å; A815-L819 HydrophobicContact CB-CD1 4.4Å; A815-L819 WeakPolarHBondContact O-CB 3.44Å; A815-L819 WeakPolarHBondContact O-CG 3.38Å; A815-L819 PolarHBondContact O-N 2.93Å |
| 816 | A | 42.8 | Very low | 38.8 | Very low | 46 Ų | 46 | 129.2 Ų | 129.2 | 38% | 0.38 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -58.7 | -43.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q812 R818 L819 Y820 | Q812-A816 VanDerWaalsContact O-CB 3.29Å; Q812-A816 WeakPolarHBondContact O-CB 3.31Å; Q812-A816 PolarHBondContact O-N 3.07Å; A816-R818 PolarHBondContact O-N 3.25Å; A816-L819 PolarHBondContact O-N 3.37Å; A816-Y820 PolarHBondContact O-N 3.2Å |
| 817 | N | 42.3 | Very low | 38.5 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.7 | -10.3 | 175.7 | -72.4 | -36.3 | 0 | 0 | 0 | 114.1 | A813 A815 | A813-N817 PolarHBondContact O-N 2.91Å; A813-N817 PolarHBondContact O-ND2 3.47Å; A815-N817 VanDerWaalsContact C-N 3.33Å; A815-N817 PolarHBondContact O-N 3.47Å |
| 818 | R | 39.4 | Very low | 38.1 | Very low | 214 Ų | 214 | 125.2 Ų | 125.2 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -97.8 | -17.1 | 168.5 | -77.9 | -177.7 | 166.6 | -171.2 | -3.6 | 113.5 | A814 A815 A816 | A814-R818 PolarHBondContact O-N 3.14Å; A815-R818 CarbonylContact O-C 3.3Å; A815-R818 WeakPolarHBondContact O-CA 3.49Å; A815-R818 PolarHBondContact O-N 3.08Å; A816-R818 PolarHBondContact O-N 3.25Å |
| 819 | L | 35.9 | Very low | 37.5 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 67% | 0.665 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -93.2 | -20.2 | -175.6 | -78.6 | 164.5 | 0 | 0 | 0 | 114.4 | A815 A816 A821 | A815-L819 HydrophobicContact CB-CD1 4.4Å; A815-L819 WeakPolarHBondContact O-CB 3.44Å; A815-L819 WeakPolarHBondContact O-CG 3.38Å; A815-L819 PolarHBondContact O-N 2.93Å; A816-L819 PolarHBondContact O-N 3.37Å; L819-A821 PolarHBondContact O-N 3.47Å |
| 820 | Y | 34.7 | Very low | 37 | Very low | 205 Ų | 205 | 126.6 Ų | 126.6 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 9 | 173.3 | -93.3 | -91.4 | 0 | 0 | 0 | 114.8 | A816 | A816-Y820 PolarHBondContact O-N 3.2Š|
| 821 | A | 34.5 | Very low | 36.9 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 16 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L819 | L819-A821 PolarHBondContact O-N 3.47Š|
| 822 | R | 29.2 | Very low | 36.5 | Very low | 232 Ų | 232 | 127.7 Ų | 127.7 | 88% | 0.875 | 70% | 0.701 | S | S | * | * | trans | -152.2 | 159.6 | 174.4 | -99.8 | -177.7 | 173.6 | -167 | -3 | 111.7 | ||||
| 823 | R | 28.5 | Very low | 35.8 | Very low | 243 Ų | 243 | 124.7 Ų | 124.7 | 92% | 0.917 | 71% | 0.708 | S | S | * | * | trans | 88.6 | 69 | 157.2 | -151.9 | -177.2 | -162.9 | -139.4 | 5.7 | 119.8 | ||||
| 824 | S | 35.9 | Very low | 35.4 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | -85.7 | 151.4 | 122.4 | 54.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 825 | T | 34.8 | Very low | 35 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | cis | -159.1 | 139 | -2.5 | 10.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 826 | I | 32.7 | Very low | 34.6 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | 55 | 129.1 | 98 | -67.6 | -178.4 | 0 | 0 | 0 | 113.6 | |||||
| 827 | V | 31.9 | Very low | 34.2 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -164.4 | 158.5 | -4.2 | 126.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 828 | G | 32.9 | Very low | 33.8 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 153.9 | 86.4 | 160 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 829 | I | 33.6 | Very low | 33.9 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | trans | 12.6 | 119.7 | 135.9 | -51.8 | 152.4 | 0 | 0 | 0 | 116.6 | ||||
| 830 | S | 33.8 | Very low | 33.9 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | 77.1 | 154.9 | 48.7 | -152 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 831 | P | 42.2 | Very low | 33.9 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | cis | -135 | -167.5 | 0.5 | 41.6 | -22 | 0 | 0 | 0 | 116 | ||||
| 832 | T | 33.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | 65.6 | 153.8 | 167.1 | 61.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 833 | G | 31.5 | Very low | 34.2 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | cis | 159.7 | 158.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 834 | G | 32.4 | Very low | 34.5 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | cis | 173.4 | 161.7 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 835 | A | 32.4 | Very low | 34.3 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 93% | 0.934 | 78% | 0.784 | S | S | * | * | trans | 65.8 | 160.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 836 | A | 32.1 | Very low | 34.4 | Very low | 92 Ų | 92 | 122.7 Ų | 122.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -141.7 | 178.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 837 | T | 34.9 | Very low | 34.7 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | cis | -136.2 | 171.6 | 10.1 | 39 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 838 | A | 33.9 | Very low | 35.2 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -121.6 | -161.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 839 | P | 40.3 | Very low | 35.5 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -139.7 | -152.9 | -3 | 42.5 | -21.2 | 0 | 0 | 0 | 114.1 | ||||
| 840 | A | 35.4 | Very low | 35.4 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 80.4 | 135.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 841 | A | 36.1 | Very low | 35.3 | Very low | 89 Ų | 89 | 125.7 Ų | 125.7 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | cis | -157.3 | 169.1 | -11.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 842 | R | 32.2 | Very low | 34.9 | Very low | 242 Ų | 242 | 126 Ų | 126 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | 25.1 | 141.5 | 141.9 | -69.1 | 173.1 | 175.5 | 162.9 | -3.1 | 119.5 | ||||
| 843 | S | 37.3 | Very low | 34.8 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | cis | 179 | 163.6 | 7 | 43.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 844 | L | 34.1 | Very low | 35 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | 67 | 133.6 | 167.1 | -60 | 158.3 | 0 | 0 | 0 | 114.9 | ||||
| 845 | L | 32.4 | Very low | 35.2 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | cis | 84.3 | 99.8 | 38.1 | -167 | 82.4 | 0 | 0 | 0 | 113.6 | ||||
| 846 | E | 37.1 | Very low | 35.4 | Very low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -177.6 | 180 | 134.8 | -131.9 | 98.1 | 161.9 | 0 | 0 | 107.8 | ||||
| 847 | P | 39.4 | Very low | 35.6 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -114.8 | -179.9 | -156.8 | 14.8 | 14.6 | 0 | 0 | 0 | 113.5 | ||||
| 848 | P | 41.4 | Very low | 35.8 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -75 | 128.3 | 178.6 | 29.2 | -34.8 | 0 | 0 | 0 | 113.3 | ||||
| 849 | P | 40.3 | Very low | 36 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -84 | 178 | 172.2 | 35.9 | -36 | 0 | 0 | 0 | 112.3 | ||||
| 850 | S | 30.2 | Very low | 35.9 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -134.9 | 150.7 | -178.4 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 851 | Y | 31.9 | Very low | 36 | Very low | 214 Ų | 214 | 141.4 Ų | 141.4 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 92.1 | 148 | 157.7 | -153.9 | -117.9 | 0 | 0 | 0 | 120.8 | ||||
| 852 | T | 35.3 | Very low | 35.9 | Very low | 107 Ų | 107 | 143 Ų | 143 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | 84.6 | 155.6 | 160.6 | 11.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 853 | E | 31.2 | Very low | 36.1 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -85.4 | 168.8 | -168.8 | -48.6 | 164.1 | 98.7 | 0 | 0 | 115.1 | ||||
| 854 | R | 34 | Very low | 36 | Very low | 234 Ų | 234 | 135.1 Ų | 135.1 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | 155.9 | 168.7 | 106.5 | -165.9 | 159.9 | -177 | 151.3 | 0.4 | 114.4 | |||||
| 855 | A | 36.7 | Very low | 36.4 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 79.8 | 125.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 856 | A | 37.3 | Very low | 36.6 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | cis | 86.7 | 148 | 29.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 857 | N | 37 | Very low | 36.6 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | cis | -114.2 | -133.2 | 17.1 | -47.4 | -53.5 | 0 | 0 | 0 | 112.5 | ||||
| 858 | Q | 38.6 | Very low | 36.5 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | -156.3 | -146.6 | 1.6 | -145.5 | 150.3 | -64.7 | 0 | 0 | 113.9 | ||||
| 859 | S | 37.8 | Very low | 36.4 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | -66.6 | 162.2 | -176.6 | 39.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 860 | Q | 38.4 | Very low | 36.2 | Very low | 164 Ų | 164 | 132 Ų | 132 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -165.6 | 155.2 | 6.2 | -119.4 | 171.5 | 1.4 | 0 | 0 | 111.1 | ||||
| 861 | I | 37 | Very low | 36.7 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | trans | 53.4 | 140.2 | 141.8 | -66.1 | 165.1 | 0 | 0 | 0 | 120.1 | ||||
| 862 | T | 34.5 | Very low | 37 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -167.2 | 173.5 | -15.5 | -84 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 863 | A | 36.2 | Very low | 37.1 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -32.2 | 162.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 864 | G | 35.3 | Very low | 37.4 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | cis | -170.7 | -160.1 | 19.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 865 | P | 43.6 | Very low | 37.6 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -117.4 | 161 | -156 | 41 | -33.5 | 0 | 0 | 0 | 117.7 | ||||
| 866 | S | 36.6 | Very low | 37.6 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 170.1 | 140.8 | 119.7 | 49.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 867 | N | 36.9 | Very low | 37.4 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | 33.8 | 118.2 | 146.3 | -59.3 | -12.6 | 0 | 0 | 0 | 124.4 | ||||
| 868 | A | 36.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -155 | 132.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 869 | P | 38.6 | Very low | 37 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -126.3 | 122.4 | -175.3 | 37.8 | -23.8 | 0 | 0 | 0 | 117.1 | ||||
| 870 | T | 37.1 | Very low | 36.8 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | trans | -172.4 | 157.5 | 163.1 | 25.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 871 | V | 39.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | cis | -179 | 141 | -24.8 | 122.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 872 | Q | 38.5 | Very low | 36.6 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 60.7 | 102.5 | 158.8 | -70 | 173.2 | 25.3 | 0 | 0 | 125.1 | ||||
| 873 | S | 38.2 | Very low | 36.7 | Very low | 97 Ų | 97 | 145.9 Ų | 145.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | 73.4 | 127.2 | 120.9 | 84 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 874 | K | 37 | Very low | 36.8 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | -174.1 | 161.5 | 115.5 | -98.2 | 153.8 | -171.4 | 165.3 | 0 | 113.9 | |||||
| 875 | F | 38.4 | Very low | 36.9 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 77% | 0.772 | 79% | 0.789 | S | S | * | * | trans | -24.2 | 154.1 | 168.9 | -96.8 | -145.9 | 0 | 0 | 0 | 119.1 | ||||
| 876 | R | 36.8 | Very low | 36.5 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 64% | 0.638 | 80% | 0.795 | S | S | * | * | cis | -164.2 | 140 | -0.9 | -144.8 | -173.1 | -168.8 | 177.5 | 2.9 | 111.9 | ||||
| 877 | R | 33 | Very low | 36.5 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 50 | 85.3 | 157.3 | -72.1 | 175 | -177.9 | -173.8 | -1.5 | 118.7 | ||||
| 878 | R | 32.2 | Very low | 36.7 | Very low | 243 Ų | 243 | 153.5 Ų | 153.5 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | -100.5 | 152.2 | 123.6 | -76.7 | -174.7 | 172.8 | -144.7 | 0.9 | 107.9 | |||||
| 879 | F | 34 | Very low | 37.2 | Very low | 182 Ų | 182 | 154 Ų | 154 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -133.9 | 108.3 | 168.8 | -100.4 | -78.3 | 0 | 0 | 0 | 109.9 | V881 | F879-V881 HydrophobicContact CD1-CG2 4.03Å; F879-V881 HydrophobicContact CE1-CG2 4.43Å | ||
| 880 | S | 34.2 | Very low | 37 | Very low | 114 Ų | 114 | 154.5 Ų | 154.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -135.2 | 111.7 | 167.9 | 50.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 881 | V | 36.5 | Very low | 37 | Very low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -125.1 | 134.6 | -177.4 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | F879 | F879-V881 HydrophobicContact CD1-CG2 4.03Å; F879-V881 HydrophobicContact CE1-CG2 4.43Å | ||
| 882 | R | 34.4 | Very low | 36.9 | Very low | 220 Ų | 220 | 154.6 Ų | 154.6 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -50 | 149.4 | -171 | -63.9 | 166 | 169.1 | 149 | -5.8 | 115.3 | ||||
| 883 | P | 36.9 | Very low | 36.7 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -79.6 | 137.4 | 148.8 | 34.7 | -30.3 | 0 | 0 | 0 | 110.6 | ||||
| 884 | T | 38.7 | Very low | 37.2 | Very low | 123 Ų | 123 | 152.1 Ų | 152.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -157.4 | 108.7 | 164.4 | 14.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 885 | A | 36.6 | Very low | 37.5 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 85.1 | 105.4 | 79.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 886 | L | 35.4 | Very low | 37.3 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -147.1 | 137.3 | 155.7 | -123.7 | 163.1 | 0 | 0 | 0 | 106.6 | ||||
| 887 | Q | 36.8 | Very low | 37.3 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -141.2 | 118 | -151.8 | 172.2 | -178.6 | -15.7 | 0 | 0 | 109.2 | ||||
| 888 | I | 42.4 | Very low | 37.4 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -136.2 | 136.7 | 179 | -62.3 | -175.7 | 0 | 0 | 0 | 106.8 | ||||
| 889 | P | 46.1 | Very low | 37.5 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -86.3 | 165.9 | -155.2 | 33.8 | -37.9 | 0 | 0 | 0 | 115.1 | ||||
| 890 | P | 34.6 | Very low | 37.6 | Very low | 135 Ų | 135 | 129 Ų | 129 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -72.6 | 143.5 | 169.2 | 31.8 | -35.1 | 0 | 0 | 0 | 111.9 | ||||
| 891 | G | 36.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -129.9 | 152.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 892 | Q | 37.4 | Very low | 37.4 | Very low | 188 Ų | 188 | 130 Ų | 130 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 154.9 | -173.3 | -64.7 | 109.4 | -41.2 | 0 | 0 | 114.1 | ||
| 893 | A | 35.2 | Very low | 37.3 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 135.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 894 | P | 46.9 | Very low | 37 | Very low | 117 Ų | 117 | 123 Ų | 123 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 159.2 | 165 | 34.5 | -32.2 | 0 | 0 | 0 | 112.1 | ||
| 895 | P | 43.8 | Very low | 36.8 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 165.5 | -178.2 | 32.9 | -36.2 | 0 | 0 | 0 | 114 | ||
| 896 | P | 33.7 | Very low | 36.7 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 153.4 | -170.1 | 35.3 | -36.4 | 0 | 0 | 0 | 115 | ||
| 897 | G | 36.7 | Very low | 36.6 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -176.9 | 155.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 898 | A | 36.9 | Very low | 36.4 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | 62.8 | 100.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 899 | S | 34.4 | Very low | 36 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | 63.9 | 124.4 | 124.5 | 63.6 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 900 | L | 34.4 | Very low | 35.5 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | trans | 76.1 | 120.3 | 136.2 | -65.9 | 166.9 | 0 | 0 | 0 | 122.3 | ||||
| 901 | M | 34.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 65 | 144 | 139.6 | -64.7 | 178.2 | 74.5 | 0 | 0 | 119.8 | ||||
| 902 | E | 32.6 | Very low | 35.2 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 48% | 0.481 | 75% | 0.752 | S | S | . | * | cis | -155 | 173.3 | -18.5 | -143.4 | -162.6 | 125.8 | 0 | 0 | 110.2 | K983 | E902-K983 VanDerWaalsContact CD-NZ 3.26Å; E902-K983 WeakPolarHBondContact OE1-CE 3.47Å; E902-K983 IonicContact OE1-NZ 2.74Å; E902-K983 PolarHBondContact OE1-NZ 3.24Å; E902-K983 IonicContact OE2-NZ 3.35Å; E902-K983 PolarHBondContact OE2-NZ 3.09Å; E902-K983 VanDerWaalsContact OE2-NZ 3.09Å | ||
| 903 | Q | 32.2 | Very low | 35.1 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 57% | 0.57 | 75% | 0.752 | S | S | * | * | trans | 64.6 | 100.7 | 155.4 | -83.3 | 167.4 | -50.3 | 0 | 0 | 123 | ||||
| 904 | S | 32.1 | Very low | 35.2 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | trans | 80.4 | 152.5 | 134.2 | 7.6 | 0 | 0 | 0 | 0 | 119.4 | R982 | S904-R982 VanDerWaalsContact CA-NH2 3.3Š| ||
| 905 | S | 33.8 | Very low | 34.6 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | cis | -166.5 | 174 | -14.2 | 36.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 906 | Q | 34.8 | Very low | 34.1 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 68.3 | 102.6 | 172.2 | -62.8 | 179.3 | 3.9 | 0 | 0 | 115.5 | ||||
| 907 | T | 31.8 | Very low | 34.3 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | 66.5 | 93.6 | 81.6 | 61.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 908 | A | 34.2 | Very low | 34.2 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -166.9 | 109.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 909 | L | 32.6 | Very low | 34.1 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | 20.3 | 110.8 | 131.6 | -79.8 | 170.7 | 0 | 0 | 0 | 120.4 | ||||
| 910 | Q | 35.5 | Very low | 34 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | 160.4 | 151.1 | 104.1 | -93.4 | 163.4 | 39.9 | 0 | 0 | 118 | |||||
| 911 | R | 33.6 | Very low | 34.1 | Very low | 210 Ų | 210 | 141.1 Ų | 141.1 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | 52.4 | 119.7 | 146.7 | -66.8 | -179.4 | -85.9 | 170.3 | -5.5 | 117.9 | ||||
| 912 | R | 33.1 | Very low | 34.1 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | -163.3 | 165.6 | 73.3 | -92.6 | -175.2 | 173.4 | -122 | 0.9 | 113.6 | |||||
| 913 | L | 34 | Very low | 34.1 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -89.4 | 140.6 | 166 | -55.1 | 85.3 | 0 | 0 | 0 | 110.8 | ||||
| 914 | S | 37.3 | Very low | 34.4 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 177.5 | 123.6 | 126.3 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 915 | L | 35.4 | Very low | 34.6 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 31.9 | 122.7 | 136.8 | -56.5 | 169.7 | 0 | 0 | 0 | 121.3 | ||||
| 916 | R | 33.8 | Very low | 35.1 | Very low | 240 Ų | 240 | 149.5 Ų | 149.5 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | 18.5 | 155.6 | 133.1 | -96.7 | -177.8 | 172.3 | 158.8 | -1.9 | 121.4 | ||||
| 917 | P | 36.4 | Very low | 35.5 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -137.5 | -175.2 | 5.9 | 38.9 | -18 | 0 | 0 | 0 | 116.9 | ||||
| 918 | S | 34.7 | Very low | 36.2 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -60.3 | 166.3 | 163.5 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 919 | P | 36.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -149.8 | -154 | 40.9 | 40.4 | -15.6 | 0 | 0 | 0 | 117 | ||||
| 920 | L | 32.3 | Very low | 37.4 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 73.4 | 168.7 | -177.2 | -82.8 | 75.7 | 0 | 0 | 0 | 116.8 | ||||
| 921 | A | 35.4 | Very low | 37.6 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | 175.2 | 140 | -72.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 922 | R | 33.7 | Very low | 37.9 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 80.5 | 161.3 | 162 | -148.2 | -179.5 | 179 | 117.3 | 1.9 | 117.3 | ||||
| 923 | E | 34.2 | Very low | 38.1 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | trans | 75.8 | 141.4 | 175.4 | -50.7 | -113.2 | 114.7 | 0 | 0 | 114.5 | ||||
| 924 | L | 38.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | cis | -151.2 | 167.5 | -6 | -122.1 | 169.3 | 0 | 0 | 0 | 110 | ||||
| 925 | S | 35.5 | Very low | 38.5 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -131.7 | 139.5 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 926 | P | 44.9 | Very low | 38.6 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -90.3 | 133.8 | -169.5 | 34 | -34.9 | 0 | 0 | 0 | 115.6 | ||||
| 927 | T | 41.5 | Very low | 39 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 23.7 | 137.1 | 133.7 | 58.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 928 | S | 46.5 | Very low | 39.5 | Very low | 104 Ų | 104 | 121 Ų | 121 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 168 | 176.8 | 52.4 | 24 | 0 | 0 | 0 | 0 | 110 | |||||
| 929 | P | 46.2 | Very low | 39.7 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -131.4 | -152.3 | -41.6 | 47.3 | -29.1 | 0 | 0 | 0 | 109.5 | ||||
| 930 | P | 47.3 | Very low | 39.8 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -135 | -176.8 | -143.6 | 40.1 | -16.7 | 0 | 0 | 0 | 118.7 | ||||
| 931 | G | 40 | Very low | 40.1 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 120.8 | 134.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 932 | G | 38.1 | Very low | 40.6 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | 148.4 | 136 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 933 | S | 39.3 | Very low | 40.9 | Very low | 126 Ų | 126 | 115 Ų | 115 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -139.6 | 141.9 | -164.8 | 59.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 934 | G | 39.2 | Very low | 41.3 | Very low | 74 Ų | 74 | 115.8 Ų | 115.8 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 93.4 | 159.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 935 | S | 39 | Very low | 41.3 | Very low | 120 Ų | 120 | 114.5 Ų | 114.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | cis | -178.3 | 154.5 | -17.6 | 41.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 936 | A | 38.5 | Very low | 41.4 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 74.5 | 95.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 937 | L | 42 | Very low | 41.1 | Very low | 172 Ų | 172 | 110.6 Ų | 110.6 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | 71.6 | 160.9 | 117.5 | -67.2 | 170.6 | 0 | 0 | 0 | 122.1 | |||||
| 938 | P | 47.6 | Very low | 41.1 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -132.3 | -175.6 | -151.6 | 45.8 | -30.9 | 0 | 0 | 0 | 115.8 | ||||
| 939 | A | 38.2 | Very low | 40.8 | Very low | 101 Ų | 101 | 111.7 Ų | 111.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -167.6 | 142 | 144.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 940 | G | 38.5 | Very low | 40.5 | Very low | 78 Ų | 78 | 110.4 Ų | 110.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 83.4 | 156.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 941 | A | 39.3 | Very low | 40 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | cis | -170.4 | 134.5 | -18 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 942 | I | 44.1 | Very low | 39.8 | Very low | 154 Ų | 154 | 120 Ų | 120 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 67.6 | 139.8 | 142.6 | -60.4 | 169.2 | 0 | 0 | 0 | 115.8 | ||||
| 943 | D | 41.7 | Very low | 39.7 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | cis | -148.7 | -176.5 | 25.5 | -135.7 | -26 | 0 | 0 | 0 | 116 | ||||
| 944 | E | 40.8 | Very low | 39.8 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -24.5 | 159.4 | 165.5 | -73.7 | 179.3 | 172.7 | 0 | 0 | 120.2 | ||||
| 945 | S | 39.8 | Very low | 39.9 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -168.6 | -173.9 | -14.4 | 62.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 946 | G | 37.7 | Very low | 39.7 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | cis | 173.7 | 169 | -0 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 947 | G | 39 | Very low | 39.8 | Very low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | 88.4 | 100.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 948 | T | 40.4 | Very low | 39.5 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | 69.3 | 125.9 | 78.8 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 949 | S | 41.1 | Very low | 38.8 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | -162.9 | 162.8 | 18.1 | -92 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 950 | A | 39.6 | Very low | 38.6 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | 57.5 | 130.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 951 | Q | 36 | Very low | 38.2 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | 114.4 | 99.3 | 10.3 | -76.9 | -167.7 | 0.9 | 0 | 0 | 115.8 | ||||
| 952 | R | 35.4 | Very low | 37.7 | Very low | 240 Ų | 240 | 132.7 Ų | 132.7 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -179.8 | 114 | 140.4 | -101.4 | 172.2 | -175.8 | -173 | 1.4 | 107.1 | ||||
| 953 | L | 37.4 | Very low | 37.2 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | 59.2 | 129.2 | 58.6 | -51.7 | 174 | 0 | 0 | 0 | 112.4 | |||||
| 954 | L | 41.5 | Very low | 36.6 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | cis | -169.6 | 180 | -5.5 | -105.8 | 175.2 | 0 | 0 | 0 | 106.1 | L956 | L954-L956 HydrophobicContact CD2-CD1 4.14Š| ||
| 955 | P | 39.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -131.6 | -174.6 | -3.5 | 35.7 | -13.8 | 0 | 0 | 0 | 116.5 | ||||
| 956 | L | 36.1 | Very low | 36 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -72 | -179.5 | 174.7 | -80.8 | 94.1 | 0 | 0 | 0 | 113.4 | L954 | L954-L956 HydrophobicContact CD2-CD1 4.14Š| ||
| 957 | P | 39.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -150.3 | 171.4 | 25 | 45 | -24 | 0 | 0 | 0 | 122 | ||||
| 958 | A | 34.7 | Very low | 35.8 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 61.3 | 119.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 959 | G | 34.4 | Very low | 35.5 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | 180 | 110.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 960 | T | 32.8 | Very low | 35 | Very low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -109.5 | 123.8 | -172.9 | 44.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 961 | R | 30.3 | Very low | 34.6 | Very low | 215 Ų | 215 | 136.1 Ų | 136.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 170.7 | 152.3 | 134 | -100.8 | 177.4 | 159.5 | -177.6 | -9.1 | 112.9 | ||||
| 962 | P | 29.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -81.4 | 149 | 164.6 | 34.6 | -33.3 | 0 | 0 | 0 | 111.1 | ||||
| 963 | S | 32.8 | Very low | 34.4 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -149.4 | 119.3 | 165.6 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 964 | T | 28.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -51.5 | 141.8 | 167.9 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 965 | S | 33.5 | Very low | 34 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -151.6 | 91 | 155.7 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | T967 | S965-T967 PolarHBondContact O-N 2.9Š| ||
| 966 | S | 34.4 | Very low | 33.7 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -66.1 | 123.1 | 170.6 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | H968 | S966-H968 PolarHBondContact O-N 2.65Å; S966-H968 VanDerWaalsContact O-N 3.12Å | ||
| 967 | T | 34.1 | Very low | 33.7 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 87.6 | 171.7 | 45.7 | 0 | 0 | 0 | 0 | 110.5 | S965 | S965-T967 PolarHBondContact O-N 2.9Š| ||
| 968 | H | 38 | Very low | 33.3 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 65% | 0.648 | 78% | 0.779 | S | S | * | * | trans | -97.6 | 146.4 | 172.4 | -161 | -74.4 | 0 | 0 | 0 | 111.3 | S966 S972 | S966-H968 PolarHBondContact O-N 2.65Å; S966-H968 VanDerWaalsContact O-N 3.12Å; H968-S972 PolarHBondContact CE1-OG 2.86Å | ||
| 969 | S | 35 | Very low | 33.5 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | trans | -64 | 146.9 | -179.5 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | L971 | S969-L971 PolarHBondContact O-N 3.18Š| ||
| 970 | P | 30.1 | Very low | 33.4 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 43 | -171.9 | 37.9 | -38.4 | 0 | 0 | 0 | 114.5 | ||
| 971 | L | 32.1 | Very low | 33.6 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | -3 | 178.2 | -87.6 | 176 | 0 | 0 | 0 | 116.4 | S969 | S969-L971 PolarHBondContact O-N 3.18Š|
| 972 | S | 34.8 | Very low | 33.9 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 45% | 0.448 | 77% | 0.772 | S | S | . | * | trans | -126.9 | 53.2 | -171.8 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | H968 | H968-S972 PolarHBondContact CE1-OG 2.86Š| ||
| 973 | R | 31.5 | Very low | 34.2 | Very low | 241 Ų | 241 | 138.7 Ų | 138.7 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -146.6 | 48.4 | 175 | -125.5 | 173.8 | -165 | 176.8 | 6.2 | 117.4 | ||||
| 974 | I | 34.1 | Very low | 34.4 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | trans | -108.7 | 145.1 | 153.9 | -67.8 | 176.6 | 0 | 0 | 0 | 108.1 | R36 | R36-I974 PolarHBondContact NH1-O 2.83Å; R36-I974 PolarHBondContact NH2-O 3.38Å | ||
| 975 | V | 36.8 | Very low | 34.8 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 78.8 | 84.2 | -169.4 | -168.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 976 | Q | 34.1 | Very low | 34.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -162.7 | 41.5 | 144.8 | -127.3 | -179.6 | 12.6 | 0 | 0 | 115.6 | ||||
| 977 | I | 35.2 | Very low | 35.1 | Very low | 162 Ų | 162 | 141 Ų | 141 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -133.7 | 143.7 | 163.2 | -61.5 | -177.2 | 0 | 0 | 0 | 109.1 | ||
| 978 | S | 32.6 | Very low | 35.3 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 59.2 | 69.4 | 168.4 | 65.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 979 | Q | 37.6 | Very low | 35.2 | Very low | 204 Ų | 204 | 138.6 Ų | 138.6 | 95% | 0.953 | 77% | 0.771 | S | S | * | * | trans | -141.2 | 85.3 | 137.4 | -79.3 | -154 | 2.2 | 0 | 0 | 110.3 | ||||
| 980 | A | 33.4 | Very low | 35.3 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -158.8 | 58.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 981 | Q | 36.8 | Very low | 35.7 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -174.6 | 147 | 154.5 | -109.7 | 177.2 | 24.8 | 0 | 0 | 111.9 | ||||
| 982 | R | 35.7 | Very low | 36 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 59% | 0.589 | 78% | 0.782 | S | S | * | * | trans | 83.7 | 101.5 | -172.3 | -57.8 | 166.4 | -178.2 | -95.1 | -15.8 | 112.6 | S904 | S904-R982 VanDerWaalsContact CA-NH2 3.3Š| ||
| 983 | K | 36.6 | Very low | 36.1 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 57% | 0.565 | 80% | 0.795 | S | S | * | * | 81.2 | 121.5 | 60.6 | -77.7 | -171.6 | 166.2 | 174.8 | 0 | 112.3 | E902 | E902-K983 VanDerWaalsContact CD-NZ 3.26Å; E902-K983 WeakPolarHBondContact OE1-CE 3.47Å; E902-K983 IonicContact OE1-NZ 2.74Å; E902-K983 PolarHBondContact OE1-NZ 3.24Å; E902-K983 IonicContact OE2-NZ 3.35Å; E902-K983 PolarHBondContact OE2-NZ 3.09Å; E902-K983 VanDerWaalsContact OE2-NZ 3.09Å | |||
| 984 | S | 36.3 | Very low | 36.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 58.5 | 139.4 | 159.2 | 47.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 985 | S | 37.2 | Very low | 36.8 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | -176.3 | 140.2 | -5.9 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 986 | M | 36.1 | Very low | 37.1 | Very low | 188 Ų | 188 | 129.2 Ų | 129.2 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -172.9 | 148.3 | 134.3 | -106.7 | 174.2 | 177.4 | 0 | 0 | 110.7 | ||||
| 987 | P | 40 | Very low | 37.8 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -100.1 | 164.5 | -174.3 | 38.6 | -34.6 | 0 | 0 | 0 | 114 | ||||
| 988 | S | 38.2 | Very low | 38.4 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -124.6 | 143.3 | 157.1 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 989 | A | 35.1 | Very low | 38.9 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -130.8 | 145.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 990 | A | 36.2 | Very low | 39.2 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -157.2 | 137 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 991 | A | 38.8 | Very low | 39.6 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 60.2 | 138.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 992 | T | 38.1 | Very low | 39.7 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | cis | -159.3 | 134.2 | -10 | 11.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 993 | G | 37.9 | Very low | 39.9 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | 175.3 | 90.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 994 | S | 38.2 | Very low | 40.1 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | 46.4 | 121.4 | 151.4 | 58.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 995 | S | 41.5 | Very low | 40.3 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | 77.7 | 147.4 | 142 | 76.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 996 | G | 43.1 | Very low | 40.5 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | trans | 103.5 | 102 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 997 | A | 48.4 | Very low | 40.8 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 81% | 0.81 | 84% | 0.844 | S | S | * | * | trans | -128.9 | 179.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 998 | P | 47.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | cis | -136.4 | -161.3 | -2.5 | 40.7 | -20.8 | 0 | 0 | 0 | 114.1 | ||||
| 999 | A | 44.6 | Very low | 41.1 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 67% | 0.669 | 84% | 0.843 | S | S | * | * | trans | 99.7 | 117.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1000 | E | 42.7 | Very low | 41.6 | Very low | 194 Ų | 194 | 125.6 Ų | 125.6 | 91% | 0.907 | 85% | 0.846 | S | S | * | * | trans | 44.7 | 107.8 | 141.1 | -53.9 | -176.2 | 134.7 | 0 | 0 | 118.1 | ||||
| 1001 | K | 42.2 | Very low | 42.1 | Very low | 282 Ų | 282 | 128.2 Ų | 128.2 | 100% | 1.226 | 85% | 0.85 | S | S | * | * | -160.1 | 0 | 58.9 | -156.7 | 172.3 | -171.6 | 174.7 | 0 | 113.6 |
Retrieved 1,001 of 1,001 residues in 263 ms
(Link to these results)