| 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 | 68.3 | Low | 76.9 | Confident | 167 Ų | 167 | 98.9 Ų | 98.9 | 82% | 0.823 | 53% | 0.529 | S | S | * | . | 0 | -60.9 | 0 | -163.5 | 56.4 | 176.6 | 0 | 0 | 111.9 | E3 L4 L5 | M1-E3 PolarHBondContact O-N 3.37Å; M1-L4 WeakPolarHBondContact O-CA 3.49Å; M1-L4 VanDerWaalsContact O-CB 3.28Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.84Å; M1-L5 HydrophobicContact CE-CD1 4.32Å; M1-L5 HydrophobicContact CE-CD2 4.1Å; M1-L5 HydrophobicContact CE-CG 4.21Å; M1-L5 HydrophobicContact CG-CD1 4.14Å; M1-L5 HydrophobicContact CG-CG 4.48Å; M1-L5 PolarHBondContact O-N 3.39Å; M1-L5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | A | 71.3 | Confident | 76.9 | Confident | 28 Ų | 28 | 91.9 Ų | 91.9 | 23% | 0.231 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -49.7 | -49.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L4 L5 V6 T34 L37 | A2-L4 PolarHBondContact O-N 3.07Å; A2-L5 PolarHBondContact O-N 3.22Å; A2-L5 VanDerWaalsContact O-N 3.14Å; A2-V6 WeakPolarHBondContact O-CG2 3.27Å; A2-V6 PolarHBondContact O-N 2.89Å; A2-T34 HydrophobicContact CB-CG2 3.87Å; A2-L37 HydrophobicContact CB-CD2 3.84Å |
| 3 | E | 76.6 | Confident | 77.4 | Confident | 122 Ų | 122 | 97.7 Ų | 97.7 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -54.3 | -35.1 | 175.1 | -62.9 | -178.3 | 169.8 | 0 | 0 | 114 | M1 R7 L37 | M1-E3 PolarHBondContact O-N 3.37Å; E3-R7 WeakPolarHBondContact O-CB 3.15Å; E3-R7 VanDerWaalsContact O-CG 3.26Å; E3-R7 WeakPolarHBondContact O-CG 3.33Å; E3-R7 PolarHBondContact O-N 3.38Å; E3-R7 VanDerWaalsContact O-N 3.13Å; E3-L37 HydrophobicContact CB-CD2 4.29Å; E3-L37 HydrophobicContact CG-CD1 4.06Å; E3-L37 HydrophobicContact CG-CD2 3.57Å; E3-L37 HydrophobicContact CG-CG 4.44Å |
| 4 | L | 80.6 | Confident | 78.2 | Confident | 94 Ų | 94 | 95.8 Ų | 95.8 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.4 | -43.8 | -179.6 | -159.6 | 78.9 | 0 | 0 | 0 | 110.4 | M1 A2 R7 Y8 | M1-L4 WeakPolarHBondContact O-CA 3.49Å; M1-L4 VanDerWaalsContact O-CB 3.28Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 2.84Å; A2-L4 PolarHBondContact O-N 3.07Å; L4-R7 PolarHBondContact O-N 3.49Å; L4-Y8 HydrophobicContact CD1-CE2 4.26Å; L4-Y8 HydrophobicContact CG-CD2 4.22Å; L4-Y8 HydrophobicContact CG-CE2 4.02Å; L4-Y8 WeakPolarHBondContact O-CD2 3.36Å; L4-Y8 PolarHBondContact O-N 3.06Å |
| 5 | L | 80.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177.1 | -68.4 | 171.8 | 0 | 0 | 0 | 111.5 | M1 A2 R7 Y8 G9 A10 | M1-L5 HydrophobicContact CE-CD1 4.32Å; M1-L5 HydrophobicContact CE-CD2 4.1Å; M1-L5 HydrophobicContact CE-CG 4.21Å; M1-L5 HydrophobicContact CG-CD1 4.14Å; M1-L5 HydrophobicContact CG-CG 4.48Å; M1-L5 PolarHBondContact O-N 3.39Å; M1-L5 VanDerWaalsContact O-N 3.14Å; A2-L5 PolarHBondContact O-N 3.22Å; A2-L5 VanDerWaalsContact O-N 3.14Å; L5-R7 PolarHBondContact O-N 2.69Å; L5-Y8 CarbonylContact O-C 3.54Å; L5-Y8 PolarHBondContact O-N 2.99Å; L5-Y8 VanDerWaalsContact O-N 3.1Å; L5-G9 PolarHBondContact O-N 3.14Å; L5-A10 HydrophobicContact CB-CB 3.93Å; L5-A10 VanDerWaalsContact O-CB 3.28Å; L5-A10 WeakPolarHBondContact O-CB 3.49Å; L5-A10 PolarHBondContact O-N 2.95Å |
| 6 | V | 79.3 | Confident | 79.1 | Confident | 39 Ų | 39 | 94.9 Ų | 94.9 | 24% | 0.236 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 173.8 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | A2 Y8 G9 L41 F42 | A2-V6 WeakPolarHBondContact O-CG2 3.27Å; A2-V6 PolarHBondContact O-N 2.89Å; V6-Y8 PolarHBondContact O-N 3.37Å; V6-Y8 VanDerWaalsContact O-N 3.16Å; V6-G9 PolarHBondContact O-N 2.82Å; V6-L41 HydrophobicContact CB-CD1 4.26Å; V6-L41 HydrophobicContact CG1-CD1 3.58Å; V6-L41 HydrophobicContact CG1-CD2 4.22Å; V6-L41 HydrophobicContact CG2-CD1 3.8Å; V6-F42 HydrophobicContact CG2-CE2 4.48Å |
| 7 | R | 77.3 | Confident | 79.5 | Confident | 204 Ų | 204 | 96.2 Ų | 96.2 | 77% | 0.77 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -19.8 | 178.1 | -76.9 | 178 | -174.8 | -162.6 | 5.2 | 114 | E3 L4 L5 | E3-R7 WeakPolarHBondContact O-CB 3.15Å; E3-R7 VanDerWaalsContact O-CG 3.26Å; E3-R7 WeakPolarHBondContact O-CG 3.33Å; E3-R7 PolarHBondContact O-N 3.38Å; E3-R7 VanDerWaalsContact O-N 3.13Å; L4-R7 PolarHBondContact O-N 3.49Å; L5-R7 PolarHBondContact O-N 2.69Å |
| 8 | Y | 83.6 | Confident | 80 | Confident | 195 Ų | 195 | 93.7 Ų | 93.7 | 77% | 0.765 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 15.6 | 172.9 | -71.6 | -65.7 | 0 | 0 | 0 | 113.7 | L4 L5 V6 | L4-Y8 HydrophobicContact CD1-CE2 4.26Å; L4-Y8 HydrophobicContact CG-CD2 4.22Å; L4-Y8 HydrophobicContact CG-CE2 4.02Å; L4-Y8 WeakPolarHBondContact O-CD2 3.36Å; L4-Y8 PolarHBondContact O-N 3.06Å; L5-Y8 CarbonylContact O-C 3.54Å; L5-Y8 PolarHBondContact O-N 2.99Å; L5-Y8 VanDerWaalsContact O-N 3.1Å; V6-Y8 PolarHBondContact O-N 3.37Å; V6-Y8 VanDerWaalsContact O-N 3.16Å |
| 9 | G | 75.8 | Confident | 80.4 | Confident | 67 Ų | 67 | 94.4 Ų | 94.4 | 69% | 0.691 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | 12.9 | 170 | 0 | 0 | 0 | 0 | 0 | 115.9 | L5 V6 G11 | L5-G9 PolarHBondContact O-N 3.14Å; V6-G9 PolarHBondContact O-N 2.82Å; G9-G11 PolarHBondContact O-N 3.35Å |
| 10 | A | 76.4 | Confident | 80.9 | Confident | 46 Ų | 46 | 91.8 Ų | 91.8 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | trans | -67.3 | 113.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L5 | L5-A10 HydrophobicContact CB-CB 3.93Å; L5-A10 VanDerWaalsContact O-CB 3.28Å; L5-A10 WeakPolarHBondContact O-CB 3.49Å; L5-A10 PolarHBondContact O-N 2.95Å | ||
| 11 | G | 75.8 | Confident | 81.4 | Confident | 39 Ų | 39 | 87.4 Ų | 87.4 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | trans | -80.4 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | G9 E13 | G9-G11 PolarHBondContact O-N 3.35Å; G11-E13 PolarHBondContact O-N 2.83Å | ||
| 12 | G | 76.7 | Confident | 82.5 | Confident | 15 Ų | 15 | 81.2 Ų | 81.2 | 16% | 0.155 | 44% | 0.444 | C | S | . | . | trans | -72.6 | 33.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I14 | G12-I14 PolarHBondContact O-N 3.13Š| ||
| 13 | E | 83.9 | Confident | 83.5 | Confident | 167 Ų | 167 | 79.9 Ų | 79.9 | 78% | 0.78 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 131.9 | -170.5 | -68.6 | -175.3 | -172.7 | 0 | 0 | 113.1 | G11 P22 | G11-E13 PolarHBondContact O-N 2.83Å; E13-P22 VanDerWaalsContact O-CD 3.26Å; E13-P22 WeakPolarHBondContact O-CD 3.22Å; E13-P22 WeakPolarHBondContact O-CG 3.28Å |
| 14 | I | 87.9 | Confident | 84.3 | Confident | 71 Ų | 71 | 75.1 Ų | 75.1 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 139.9 | -175.6 | -57.5 | 160.2 | 0 | 0 | 0 | 109.2 | G12 P16 F19 L45 V48 | G12-I14 PolarHBondContact O-N 3.13Å; I14-P16 WeakPolarHBondContact O-CD 3.49Å; I14-F19 HydrophobicContact CG2-CB 4.38Å; I14-F19 WeakPolarHBondContact CG2-O 3.41Å; I14-L45 HydrophobicContact CD1-CD2 4.42Å; I14-L45 HydrophobicContact CG1-CD2 4.2Å; I14-V48 HydrophobicContact CD1-CB 4.45Å; I14-V48 HydrophobicContact CD1-CG1 3.8Å; I14-V48 HydrophobicContact CD1-CG2 3.77Å; I14-V48 HydrophobicContact CG1-CG1 4.16Å; I14-V48 HydrophobicContact CG2-CG1 4.15Å |
| 15 | N | 86.8 | Confident | 84.7 | Confident | 68 Ų | 68 | 75 Ų | 75 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 123 | 175.3 | -175.7 | -69.7 | 0 | 0 | 0 | 111 | V17 T18 F19 N20 | N15-V17 PolarHBondContact O-N 2.75Å; N15-V17 VanDerWaalsContact O-N 3.15Å; N15-V17 PolarHBondContact OD1-N 3.15Å; N15-T18 WeakPolarHBondContact CB-OG1 3.44Å; N15-T18 PolarHBondContact OD1-N 2.78Å; N15-T18 PolarHBondContact OD1-OG1 3.41Å; N15-F19 WeakPolarHBondContact O-CA 2.78Å; N15-F19 PolarHBondContact O-N 3.26Å; N15-N20 HydrophobicContact CB-CB 4.37Å; N15-N20 PolarHBondContact N-O 3.26Å |
| 16 | P | 84.4 | Confident | 85.3 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 71% | 0.714 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -4.1 | -171.7 | 30.2 | -37 | 0 | 0 | 0 | 114.9 | I14 | I14-P16 WeakPolarHBondContact O-CD 3.49Š|
| 17 | V | 86.3 | Confident | 85.9 | Confident | 116 Ų | 116 | 69.4 Ų | 69.4 | 70% | 0.703 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -47.7 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | N15 | N15-V17 PolarHBondContact O-N 2.75Å; N15-V17 VanDerWaalsContact O-N 3.15Å; N15-V17 PolarHBondContact OD1-N 3.15Å |
| 18 | T | 87.1 | Confident | 86.5 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11.1 | -177.4 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | N15 N20 A51 | N15-T18 WeakPolarHBondContact CB-OG1 3.44Å; N15-T18 PolarHBondContact OD1-N 2.78Å; N15-T18 PolarHBondContact OD1-OG1 3.41Å; T18-N20 PolarHBondContact O-N 2.86Å; T18-N20 VanDerWaalsContact O-N 3.14Å; T18-N20 PolarHBondContact O-OD1 3.39Å; T18-N20 WeakPolarHBondContact OG1-CB 3.29Å; T18-N20 PolarHBondContact OG1-N 3.24Å; T18-N20 PolarHBondContact OG1-ND2 3.5Å; T18-N20 PolarHBondContact OG1-OD1 3.2Å; T18-A51 PolarHBondContact O-N 3.12Å |
| 19 | F | 89.4 | Confident | 86.8 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 47% | 0.469 | 35% | 0.35 | S | S | . | . | trans | 56.5 | 18 | -170 | -61.5 | -93.2 | 0 | 0 | 0 | 114.1 | I14 N15 S21 A49 A51 | I14-F19 HydrophobicContact CG2-CB 4.38Å; I14-F19 WeakPolarHBondContact CG2-O 3.41Å; N15-F19 WeakPolarHBondContact O-CA 2.78Å; N15-F19 PolarHBondContact O-N 3.26Å; F19-S21 PolarHBondContact O-N 3.43Å; F19-A49 WeakPolarHBondContact CB-O 3.04Å; F19-A51 HydrophobicContact CD2-CB 4.29Å | ||
| 20 | N | 89.7 | Confident | 87.3 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 23% | 0.225 | 33% | 0.327 | C | S | . | . | trans | -67.1 | 114.5 | 174.2 | -65.9 | -4.7 | 0 | 0 | 0 | 109.7 | N15 T18 Y24 I25 T50 | N15-N20 HydrophobicContact CB-CB 4.37Å; N15-N20 PolarHBondContact N-O 3.26Å; T18-N20 PolarHBondContact O-N 2.86Å; T18-N20 VanDerWaalsContact O-N 3.14Å; T18-N20 PolarHBondContact O-OD1 3.39Å; T18-N20 WeakPolarHBondContact OG1-CB 3.29Å; T18-N20 PolarHBondContact OG1-N 3.24Å; T18-N20 PolarHBondContact OG1-ND2 3.5Å; T18-N20 PolarHBondContact OG1-OD1 3.2Å; N20-Y24 HydrophobicContact CB-CD1 4.11Å; N20-I25 HydrophobicContact CB-CD1 3.98Å; N20-I25 HydrophobicContact CB-CG1 4.01Å; N20-T50 VanDerWaalsContact OD1-CG2 3.23Å; N20-T50 WeakPolarHBondContact OD1-CG2 3.38Å | ||
| 21 | S | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -78.1 | 156.6 | 169.7 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | F19 L23 Y24 I25 | F19-S21 PolarHBondContact O-N 3.43Å; S21-L23 PolarHBondContact O-N 2.86Å; S21-Y24 PolarHBondContact O-N 3.35Å; S21-Y24 VanDerWaalsContact O-N 3.11Å; S21-Y24 WeakPolarHBondContact OG-CB 3.43Å; S21-Y24 PolarHBondContact OG-N 3.49Å; S21-I25 WeakPolarHBondContact O-CG1 3.13Å; S21-I25 PolarHBondContact O-N 2.93Å | ||
| 22 | P | 90 | Very high | 88.7 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.3 | -33.7 | 172.3 | -28.1 | 36.5 | 0 | 0 | 0 | 112.7 | E13 A26 L38 | E13-P22 VanDerWaalsContact O-CD 3.26Å; E13-P22 WeakPolarHBondContact O-CD 3.22Å; E13-P22 WeakPolarHBondContact O-CG 3.28Å; P22-A26 VanDerWaalsContact O-CB 3.29Å; P22-A26 WeakPolarHBondContact O-CB 3.2Å; P22-A26 PolarHBondContact O-N 3.3Å; P22-L38 HydrophobicContact CB-CD1 4.15Å; P22-L38 HydrophobicContact CB-CD2 4.39Å; P22-L38 WeakPolarHBondContact O-CD1 3.45Å |
| 23 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 175.3 | -177.6 | 65.4 | 0 | 0 | 0 | 111.9 | S21 I25 A26 T27 V35 L38 L39 L45 A46 P56 | S21-L23 PolarHBondContact O-N 2.86Å; L23-I25 VanDerWaalsContact C-N 3.33Å; L23-I25 PolarHBondContact O-N 3.41Å; L23-A26 PolarHBondContact O-N 3.03Å; L23-T27 VanDerWaalsContact O-CB 3.31Å; L23-T27 WeakPolarHBondContact O-CB 3.34Å; L23-T27 PolarHBondContact O-N 2.85Å; L23-T27 PolarHBondContact O-OG1 3.22Å; L23-T27 VanDerWaalsContact O-OG1 3.09Å; L23-V35 HydrophobicContact CD1-CB 4.43Å; L23-V35 HydrophobicContact CD1-CG1 3.91Å; L23-L38 HydrophobicContact CD1-CB 3.97Å; L23-L39 HydrophobicContact CD1-CD2 4.2Å; L23-L39 HydrophobicContact CD1-CG 3.98Å; L23-L39 HydrophobicContact CD2-CD2 3.7Å; L23-L39 HydrophobicContact CD2-CG 4.39Å; L23-L45 HydrophobicContact CB-CB 3.74Å; L23-L45 HydrophobicContact CB-CD1 4.15Å; L23-L45 HydrophobicContact CD2-CB 3.9Å; L23-L45 HydrophobicContact CG-CB 4.49Å; L23-A46 HydrophobicContact CD2-CB 4.14Å; L23-P56 HydrophobicContact CD2-CB 4.48Å; L23-P56 HydrophobicContact CD2-CG 4.05Å; L23-P56 HydrophobicContact CG-CB 4.37Å; L23-P56 HydrophobicContact CG-CG 4.12Å |
| 24 | Y | 92.7 | Very high | 89.4 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | 173.8 | 172.5 | -91 | 0 | 0 | 0 | 111.1 | N20 S21 T27 H28 T50 W54 A59 | N20-Y24 HydrophobicContact CB-CD1 4.11Å; S21-Y24 PolarHBondContact O-N 3.35Å; S21-Y24 VanDerWaalsContact O-N 3.11Å; S21-Y24 WeakPolarHBondContact OG-CB 3.43Å; S21-Y24 PolarHBondContact OG-N 3.49Å; Y24-T27 PolarHBondContact O-N 2.87Å; Y24-H28 HydrophobicContact CE1-CB 4.47Å; Y24-H28 VanDerWaalsContact O-CB 3.3Å; Y24-H28 WeakPolarHBondContact O-CB 3.27Å; Y24-H28 PolarHBondContact O-N 3.26Å; Y24-T50 HydrophobicContact CD1-CG2 3.85Å; Y24-T50 HydrophobicContact CD2-CG2 3.72Å; Y24-T50 HydrophobicContact CE1-CG2 3.74Å; Y24-T50 HydrophobicContact CE2-CG2 3.59Å; Y24-T50 HydrophobicContact CG-CG2 3.85Å; Y24-W54 HydrophobicContact CE2-CB 3.74Å; Y24-A59 HydrophobicContact CD2-CB 4.14Å; Y24-A59 HydrophobicContact CE2-CB 3.79Å |
| 25 | I | 90.4 | Very high | 89.6 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | -179.9 | -61.8 | 170.3 | 0 | 0 | 0 | 111.3 | N20 S21 L23 T27 H28 A29 | N20-I25 HydrophobicContact CB-CD1 3.98Å; N20-I25 HydrophobicContact CB-CG1 4.01Å; S21-I25 WeakPolarHBondContact O-CG1 3.13Å; S21-I25 PolarHBondContact O-N 2.93Å; L23-I25 VanDerWaalsContact C-N 3.33Å; L23-I25 PolarHBondContact O-N 3.41Å; I25-T27 VanDerWaalsContact C-N 3.3Å; I25-T27 PolarHBondContact O-N 3.21Å; I25-H28 PolarHBondContact O-N 3.33Å; I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 3.5Å |
| 26 | A | 91.8 | Very high | 89.7 | Confident | 9 Ų | 9 | 56 Ų | 56 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P22 L23 G30 H31 T34 V35 L38 | P22-A26 VanDerWaalsContact O-CB 3.29Å; P22-A26 WeakPolarHBondContact O-CB 3.2Å; P22-A26 PolarHBondContact O-N 3.3Å; L23-A26 PolarHBondContact O-N 3.03Å; A26-G30 PolarHBondContact O-N 3.11Å; A26-H31 PolarHBondContact O-N 2.99Å; A26-T34 HydrophobicContact CB-CG2 3.88Å; A26-V35 HydrophobicContact CB-CG2 3.97Å; A26-L38 HydrophobicContact CB-CD1 3.8Å |
| 27 | T | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 171.9 | -68 | 0 | 0 | 0 | 0 | 111.3 | L23 Y24 I25 A29 G30 V35 P56 A59 A60 I63 I68 | L23-T27 VanDerWaalsContact O-CB 3.31Å; L23-T27 WeakPolarHBondContact O-CB 3.34Å; L23-T27 PolarHBondContact O-N 2.85Å; L23-T27 PolarHBondContact O-OG1 3.22Å; L23-T27 VanDerWaalsContact O-OG1 3.09Å; Y24-T27 PolarHBondContact O-N 2.87Å; I25-T27 VanDerWaalsContact C-N 3.3Å; I25-T27 PolarHBondContact O-N 3.21Å; T27-A29 PolarHBondContact O-N 3.46Å; T27-G30 WeakPolarHBondContact O-CA 3.38Å; T27-G30 PolarHBondContact O-N 2.81Å; T27-V35 WeakPolarHBondContact OG1-CG2 3.43Å; T27-P56 VanDerWaalsContact CG2-O 3.24Å; T27-P56 WeakPolarHBondContact CG2-O 3.34Å; T27-A59 HydrophobicContact CG2-CB 3.94Å; T27-A60 HydrophobicContact CG2-CB 3.82Å; T27-I63 WeakPolarHBondContact O-CD1 3.47Å; T27-I68 HydrophobicContact CG2-CG2 3.74Å |
| 28 | H | 89.7 | Confident | 90.1 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -32.6 | 178.3 | -167 | 76.9 | 0 | 0 | 0 | 112.9 | Y24 I25 G30 A59 I63 | Y24-H28 HydrophobicContact CE1-CB 4.47Å; Y24-H28 VanDerWaalsContact O-CB 3.3Å; Y24-H28 WeakPolarHBondContact O-CB 3.27Å; Y24-H28 PolarHBondContact O-N 3.26Å; I25-H28 PolarHBondContact O-N 3.33Å; H28-G30 VanDerWaalsContact C-N 3.32Å; H28-A59 HydrophobicContact CB-CB 4.44Å; H28-I63 WeakPolarHBondContact O-CD1 3.42Å |
| 29 | A | 89.3 | Confident | 90.3 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 44% | 0.438 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I25 T27 H31 | I25-A29 WeakPolarHBondContact O-CB 3.41Å; I25-A29 PolarHBondContact O-N 3.5Å; T27-A29 PolarHBondContact O-N 3.46Å; A29-H31 VanDerWaalsContact C-N 3.27Å; A29-H31 PolarHBondContact O-CE1 2.83Å; A29-H31 PolarHBondContact O-N 2.99Å; A29-H31 PolarHBondContact O-ND1 3.23Å |
| 30 | G | 87.5 | Confident | 90.2 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 20.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A26 T27 H28 T32 | A26-G30 PolarHBondContact O-N 3.11Å; T27-G30 WeakPolarHBondContact O-CA 3.38Å; T27-G30 PolarHBondContact O-N 2.81Å; H28-G30 VanDerWaalsContact C-N 3.32Å; G30-T32 PolarHBondContact O-N 3.33Å |
| 31 | H | 90.9 | Very high | 90.1 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | trans | -85.9 | 69.5 | -170.7 | -72.2 | 9.5 | 0 | 0 | 0 | 112.6 | A26 A29 S33 T34 V35 | A26-H31 PolarHBondContact O-N 2.99Å; A29-H31 VanDerWaalsContact C-N 3.27Å; A29-H31 PolarHBondContact O-CE1 2.83Å; A29-H31 PolarHBondContact O-N 2.99Å; A29-H31 PolarHBondContact O-ND1 3.23Å; H31-S33 VanDerWaalsContact C-N 3.32Å; H31-S33 PolarHBondContact O-N 3.43Å; H31-S33 VanDerWaalsContact O-N 3.09Å; H31-T34 WeakPolarHBondContact O-CA 3.38Å; H31-T34 WeakPolarHBondContact O-CB 2.83Å; H31-T34 PolarHBondContact O-N 2.92Å; H31-V35 PolarHBondContact O-N 2.98Å | ||
| 32 | T | 89.5 | Confident | 90.1 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 24% | 0.239 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -42.3 | -47.2 | -174.6 | -47.8 | 0 | 0 | 0 | 0 | 114.8 | G30 T34 V35 K36 E67 I68 L71 | G30-T32 PolarHBondContact O-N 3.33Å; T32-T34 VanDerWaalsContact C-N 3.33Å; T32-T34 PolarHBondContact O-N 3.48Å; T32-V35 PolarHBondContact O-N 3.15Å; T32-K36 PolarHBondContact O-N 2.92Å; T32-E67 HydrophobicContact CG2-CB 4.32Å; T32-E67 HydrophobicContact CG2-CG 3.72Å; T32-I68 HydrophobicContact CG2-CG1 4.33Å; T32-L71 HydrophobicContact CG2-CD1 3.53Å |
| 33 | S | 86.6 | Confident | 90.1 | Very high | 107 Ų | 107 | 48.2 Ų | 48.2 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.4 | -33.4 | 178.9 | -45 | 0 | 0 | 0 | 0 | 113.4 | H31 L37 | H31-S33 VanDerWaalsContact C-N 3.32Å; H31-S33 PolarHBondContact O-N 3.43Å; H31-S33 VanDerWaalsContact O-N 3.09Å; S33-L37 WeakPolarHBondContact O-CB 3.5Å; S33-L37 PolarHBondContact O-N 3.3Å |
| 34 | T | 88.6 | Confident | 89.9 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -77.4 | -37.2 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | A2 A26 H31 T32 L37 L38 | A2-T34 HydrophobicContact CB-CG2 3.87Å; A26-T34 HydrophobicContact CB-CG2 3.88Å; H31-T34 WeakPolarHBondContact O-CA 3.38Å; H31-T34 WeakPolarHBondContact O-CB 2.83Å; H31-T34 PolarHBondContact O-N 2.92Å; T32-T34 VanDerWaalsContact C-N 3.33Å; T32-T34 PolarHBondContact O-N 3.48Å; T34-L37 PolarHBondContact O-N 3.39Å; T34-L38 HydrophobicContact CG2-CD1 3.97Å; T34-L38 HydrophobicContact CG2-CG 4.37Å; T34-L38 WeakPolarHBondContact O-CB 3.36Å; T34-L38 VanDerWaalsContact O-CG 3.29Å; T34-L38 WeakPolarHBondContact O-CG 3.45Å; T34-L38 PolarHBondContact O-N 3.14Å |
| 35 | V | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 171.7 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L23 A26 T27 H31 T32 L37 L38 L39 I68 | L23-V35 HydrophobicContact CD1-CB 4.43Å; L23-V35 HydrophobicContact CD1-CG1 3.91Å; A26-V35 HydrophobicContact CB-CG2 3.97Å; T27-V35 WeakPolarHBondContact OG1-CG2 3.43Å; H31-V35 PolarHBondContact O-N 2.98Å; T32-V35 PolarHBondContact O-N 3.15Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 3.42Å; V35-L38 PolarHBondContact O-N 2.98Å; V35-L39 HydrophobicContact CG1-CD1 3.95Å; V35-L39 HydrophobicContact CG1-CG 4.44Å; V35-L39 WeakPolarHBondContact O-CG 3.28Å; V35-L39 PolarHBondContact O-N 3.34Å; V35-I68 HydrophobicContact CG1-CG2 4.12Å; V35-I68 HydrophobicContact CG2-CD1 4.13Å; V35-I68 HydrophobicContact CG2-CG1 4.42Å; V35-I68 HydrophobicContact CG2-CG2 4.49Å |
| 36 | K | 90.2 | Very high | 89.9 | Confident | 115 Ų | 115 | 46.5 Ų | 46.5 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 177.6 | -173.1 | 169.8 | -175.3 | 166.8 | 0 | 112.5 | T32 M40 L71 | T32-K36 PolarHBondContact O-N 2.92Å; K36-M40 WeakPolarHBondContact O-CG 3.18Å; K36-M40 PolarHBondContact O-N 3.25Å; K36-L71 HydrophobicContact CB-CD1 4.12Å; K36-L71 HydrophobicContact CB-CD2 4.33Å; K36-L71 HydrophobicContact CD-CD2 4.08Å; K36-L71 HydrophobicContact CG-CD2 4.16Å |
| 37 | L | 89 | Confident | 89.8 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 174.9 | 178.2 | 70.7 | 0 | 0 | 0 | 111.8 | A2 E3 S33 T34 V35 M40 L41 | A2-L37 HydrophobicContact CB-CD2 3.84Å; E3-L37 HydrophobicContact CB-CD2 4.29Å; E3-L37 HydrophobicContact CG-CD1 4.06Å; E3-L37 HydrophobicContact CG-CD2 3.57Å; E3-L37 HydrophobicContact CG-CG 4.44Å; S33-L37 WeakPolarHBondContact O-CB 3.5Å; S33-L37 PolarHBondContact O-N 3.3Å; T34-L37 PolarHBondContact O-N 3.39Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 3.42Å; L37-M40 PolarHBondContact O-N 3.13Å; L37-L41 HydrophobicContact CD1-CD1 3.82Å; L37-L41 HydrophobicContact CG-CD1 3.84Å; L37-L41 WeakPolarHBondContact O-CD1 3.29Å; L37-L41 VanDerWaalsContact O-CG 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; L37-L41 PolarHBondContact O-N 3.34Å |
| 38 | L | 90.1 | Very high | 89.6 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.3 | -38.8 | -178.1 | -71.9 | 170.9 | 0 | 0 | 0 | 112.3 | P22 L23 A26 T34 V35 M40 L41 F42 | P22-L38 HydrophobicContact CB-CD1 4.15Å; P22-L38 HydrophobicContact CB-CD2 4.39Å; P22-L38 WeakPolarHBondContact O-CD1 3.45Å; L23-L38 HydrophobicContact CD1-CB 3.97Å; A26-L38 HydrophobicContact CB-CD1 3.8Å; T34-L38 HydrophobicContact CG2-CD1 3.97Å; T34-L38 HydrophobicContact CG2-CG 4.37Å; T34-L38 WeakPolarHBondContact O-CB 3.36Å; T34-L38 VanDerWaalsContact O-CG 3.29Å; T34-L38 WeakPolarHBondContact O-CG 3.45Å; T34-L38 PolarHBondContact O-N 3.14Å; V35-L38 PolarHBondContact O-N 2.98Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 3.36Å; L38-L41 PolarHBondContact O-N 3.17Å; L38-F42 HydrophobicContact CD2-CD2 3.96Å; L38-F42 HydrophobicContact CD2-CE2 4.37Å; L38-F42 CarbonylContact O-C 3.6Å; L38-F42 WeakPolarHBondContact O-CA 3.5Å; L38-F42 PolarHBondContact O-N 3.35Å |
| 39 | L | 90.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 174.1 | -74.4 | 170.9 | 0 | 0 | 0 | 112.7 | L23 V35 L41 P43 A46 L71 L72 H75 F77 | L23-L39 HydrophobicContact CD1-CD2 4.2Å; L23-L39 HydrophobicContact CD1-CG 3.98Å; L23-L39 HydrophobicContact CD2-CD2 3.7Å; L23-L39 HydrophobicContact CD2-CG 4.39Å; V35-L39 HydrophobicContact CG1-CD1 3.95Å; V35-L39 HydrophobicContact CG1-CG 4.44Å; V35-L39 WeakPolarHBondContact O-CG 3.28Å; V35-L39 PolarHBondContact O-N 3.34Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.16Å; L39-P43 WeakPolarHBondContact O-CB 3.48Å; L39-A46 HydrophobicContact CD2-CB 4.29Å; L39-L71 HydrophobicContact CD1-CB 4.29Å; L39-L72 HydrophobicContact CD1-CD2 4.32Å; L39-L72 HydrophobicContact CD2-CD2 4.2Å; L39-H75 HydrophobicContact CD1-CB 4.36Å; L39-H75 PolarHBondContact O-CE1 3.03Å; L39-H75 PolarHBondContact O-NE2 3.49Å; L39-F77 HydrophobicContact CD2-CE1 3.96Å; L39-F77 HydrophobicContact CD2-CZ 3.86Å |
| 40 | M | 87.7 | Confident | 89.8 | Confident | 131 Ų | 131 | 45.8 Ų | 45.8 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -71.5 | -19.4 | 177.4 | -75.1 | -178.3 | 58.8 | 0 | 0 | 114.2 | K36 L37 L38 | K36-M40 WeakPolarHBondContact O-CG 3.18Å; K36-M40 PolarHBondContact O-N 3.25Å; L37-M40 PolarHBondContact O-N 3.13Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 3.36Å |
| 41 | L | 88 | Confident | 89.9 | Confident | 73 Ų | 73 | 48 Ų | 48 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -111.2 | -39.2 | -172.3 | -66.8 | 166.1 | 0 | 0 | 0 | 113.3 | V6 L37 L38 L39 P43 | V6-L41 HydrophobicContact CB-CD1 4.26Å; V6-L41 HydrophobicContact CG1-CD1 3.58Å; V6-L41 HydrophobicContact CG1-CD2 4.22Å; V6-L41 HydrophobicContact CG2-CD1 3.8Å; L37-L41 HydrophobicContact CD1-CD1 3.82Å; L37-L41 HydrophobicContact CG-CD1 3.84Å; L37-L41 WeakPolarHBondContact O-CD1 3.29Å; L37-L41 VanDerWaalsContact O-CG 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; L37-L41 PolarHBondContact O-N 3.34Å; L38-L41 PolarHBondContact O-N 3.17Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.16Å; L41-P43 VanDerWaalsContact C-CD 3.46Å |
| 42 | F | 91.1 | Very high | 89.7 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | -134.5 | 57.6 | -173.4 | -52.4 | -66 | 0 | 0 | 0 | 109.8 | V6 L38 E44 L45 | V6-F42 HydrophobicContact CG2-CE2 4.48Å; L38-F42 HydrophobicContact CD2-CD2 3.96Å; L38-F42 HydrophobicContact CD2-CE2 4.37Å; L38-F42 CarbonylContact O-C 3.6Å; L38-F42 WeakPolarHBondContact O-CA 3.5Å; L38-F42 PolarHBondContact O-N 3.35Å; F42-E44 VanDerWaalsContact CA-OE1 3.26Å; F42-E44 WeakPolarHBondContact CA-OE1 3.47Å; F42-E44 WeakPolarHBondContact CA-OE2 3.41Å; F42-E44 WeakPolarHBondContact CB-OE1 3.31Å; F42-E44 PolarHBondContact O-N 3.12Å; F42-L45 HydrophobicContact CB-CD1 3.62Å; F42-L45 HydrophobicContact CB-CG 3.79Å; F42-L45 HydrophobicContact CG-CD1 4.36Å; F42-L45 WeakPolarHBondContact O-CB 3.26Å; F42-L45 WeakPolarHBondContact O-CG 3.4Å; F42-L45 PolarHBondContact O-N 3.26Å | ||
| 43 | P | 90.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 5% | 0.045 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -58.5 | -28.4 | -174.2 | 23.4 | -34 | 0 | 0 | 0 | 113.6 | L39 L41 L45 A46 F77 P78 V81 | L39-P43 WeakPolarHBondContact O-CB 3.48Å; L41-P43 VanDerWaalsContact C-CD 3.46Å; P43-L45 PolarHBondContact O-N 3.43Å; P43-A46 WeakPolarHBondContact O-CB 3.46Å; P43-A46 PolarHBondContact O-N 3.44Å; P43-F77 HydrophobicContact CB-CD1 3.88Å; P43-F77 HydrophobicContact CB-CE1 4.22Å; P43-P78 HydrophobicContact CB-CG 4.47Å; P43-P78 HydrophobicContact CG-CG 3.87Å; P43-V81 HydrophobicContact CB-CG2 4.35Å; P43-V81 HydrophobicContact CG-CG2 4.3Å |
| 44 | E | 88.9 | Confident | 90 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -58.6 | -25.2 | 175 | 67.6 | -70.9 | 163.8 | 0 | 0 | 113.6 | F42 A46 Q47 | F42-E44 VanDerWaalsContact CA-OE1 3.26Å; F42-E44 WeakPolarHBondContact CA-OE1 3.47Å; F42-E44 WeakPolarHBondContact CA-OE2 3.41Å; F42-E44 WeakPolarHBondContact CB-OE1 3.31Å; F42-E44 PolarHBondContact O-N 3.12Å; E44-A46 PolarHBondContact O-N 2.85Å; E44-A46 VanDerWaalsContact O-N 3.07Å; E44-Q47 WeakPolarHBondContact O-CB 3.5Å; E44-Q47 PolarHBondContact O-N 3.03Å |
| 45 | L | 91.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -64.4 | -14.2 | 177.3 | -59.9 | -176.9 | 0 | 0 | 0 | 113.6 | I14 L23 F42 P43 Q47 V48 | I14-L45 HydrophobicContact CD1-CD2 4.42Å; I14-L45 HydrophobicContact CG1-CD2 4.2Å; L23-L45 HydrophobicContact CB-CB 3.74Å; L23-L45 HydrophobicContact CB-CD1 4.15Å; L23-L45 HydrophobicContact CD2-CB 3.9Å; L23-L45 HydrophobicContact CG-CB 4.49Å; F42-L45 HydrophobicContact CB-CD1 3.62Å; F42-L45 HydrophobicContact CB-CG 3.79Å; F42-L45 HydrophobicContact CG-CD1 4.36Å; F42-L45 WeakPolarHBondContact O-CB 3.26Å; F42-L45 WeakPolarHBondContact O-CG 3.4Å; F42-L45 PolarHBondContact O-N 3.26Å; P43-L45 PolarHBondContact O-N 3.43Å; L45-Q47 PolarHBondContact O-N 2.96Å; L45-V48 HydrophobicContact CD2-CG2 4.06Å; L45-V48 PolarHBondContact O-N 3.28Å |
| 46 | A | 90.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -68.9 | -20.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L23 L39 P43 E44 F77 F98 | L23-A46 HydrophobicContact CD2-CB 4.14Å; L39-A46 HydrophobicContact CD2-CB 4.29Å; P43-A46 WeakPolarHBondContact O-CB 3.46Å; P43-A46 PolarHBondContact O-N 3.44Å; E44-A46 PolarHBondContact O-N 2.85Å; E44-A46 VanDerWaalsContact O-N 3.07Å; A46-F77 HydrophobicContact CB-CE1 3.66Å; A46-F77 HydrophobicContact CB-CZ 3.92Å; A46-F98 HydrophobicContact CB-CD1 4Å; A46-F98 HydrophobicContact CB-CE1 4.49Å |
| 47 | Q | 91.1 | Very high | 90.6 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -89.2 | -15.8 | 174.1 | -66.3 | -177.2 | -8.6 | 0 | 0 | 113.6 | E44 L45 A49 L55 V81 N83 A97 | E44-Q47 WeakPolarHBondContact O-CB 3.5Å; E44-Q47 PolarHBondContact O-N 3.03Å; L45-Q47 PolarHBondContact O-N 2.96Å; Q47-A49 PolarHBondContact O-N 3.44Å; Q47-L55 VanDerWaalsContact O-CD2 3.28Å; Q47-L55 WeakPolarHBondContact O-CD2 3.44Å; Q47-V81 HydrophobicContact CG-CG1 4.37Å; Q47-V81 PolarHBondContact NE2-O 2.9Å; Q47-N83 PolarHBondContact NE2-ND2 3.49Å; Q47-N83 VanDerWaalsContact NE2-ND2 3.16Å; Q47-A97 WeakPolarHBondContact CG-O 3.28Å; Q47-A97 PolarHBondContact NE2-O 2.98Å |
| 48 | V | 89.7 | Confident | 90.8 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | trans | -76.5 | 115.1 | -172.8 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | I14 L45 | I14-V48 HydrophobicContact CD1-CB 4.45Å; I14-V48 HydrophobicContact CD1-CG1 3.8Å; I14-V48 HydrophobicContact CD1-CG2 3.77Å; I14-V48 HydrophobicContact CG1-CG1 4.16Å; I14-V48 HydrophobicContact CG2-CG1 4.15Å; L45-V48 HydrophobicContact CD2-CG2 4.06Å; L45-V48 PolarHBondContact O-N 3.28Å | ||
| 49 | A | 90.3 | Very high | 90.9 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 31% | 0.314 | 21% | 0.206 | S | C | . | . | trans | -93.1 | 144.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F19 Q47 W54 L55 | F19-A49 WeakPolarHBondContact CB-O 3.04Å; Q47-A49 PolarHBondContact O-N 3.44Å; A49-W54 CarbonylContact C-O 3.58Å; A49-W54 VanDerWaalsContact CA-O 3.31Å; A49-W54 WeakPolarHBondContact CA-O 3.48Å; A49-L55 HydrophobicContact CB-CD2 3.93Å | ||
| 50 | T | 92.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | trans | -68.2 | 176.4 | 173.1 | 68.7 | 0 | 0 | 0 | 0 | 112.4 | N20 Y24 E52 K53 W54 | N20-T50 VanDerWaalsContact OD1-CG2 3.23Å; N20-T50 WeakPolarHBondContact OD1-CG2 3.38Å; Y24-T50 HydrophobicContact CD1-CG2 3.85Å; Y24-T50 HydrophobicContact CD2-CG2 3.72Å; Y24-T50 HydrophobicContact CE1-CG2 3.74Å; Y24-T50 HydrophobicContact CE2-CG2 3.59Å; Y24-T50 HydrophobicContact CG-CG2 3.85Å; T50-E52 PolarHBondContact O-N 3.35Å; T50-E52 VanDerWaalsContact O-N 3.16Å; T50-E52 PolarHBondContact OG1-N 2.84Å; T50-K53 VanDerWaalsContact O-CA 3.3Å; T50-K53 WeakPolarHBondContact O-CA 3.35Å; T50-K53 PolarHBondContact O-N 2.98Å; T50-W54 HydrophobicContact CG2-CB 4.18Å; T50-W54 PolarHBondContact N-O 3.01Å; T50-W54 WeakPolarHBondContact OG1-CB 3.48Å; T50-W54 PolarHBondContact OG1-N 3.04Å; T50-W54 VanDerWaalsContact OG1-N 3.13Å | ||
| 51 | A | 88.9 | Confident | 91.4 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 56% | 0.562 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | T18 F19 K53 | T18-A51 PolarHBondContact O-N 3.12Å; F19-A51 HydrophobicContact CD2-CB 4.29Å; A51-K53 VanDerWaalsContact C-N 3.26Å |
| 52 | E | 87.1 | Confident | 91.6 | Very high | 118 Ų | 118 | 33.7 Ų | 33.7 | 55% | 0.551 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.1 | 175.4 | -62.9 | 176.2 | 163.3 | 0 | 0 | 112.6 | T50 W54 A105 | T50-E52 PolarHBondContact O-N 3.35Å; T50-E52 VanDerWaalsContact O-N 3.16Å; T50-E52 PolarHBondContact OG1-N 2.84Å; E52-W54 VanDerWaalsContact C-N 3.35Å; E52-A105 WeakPolarHBondContact O-CB 3.42Å; E52-A105 PolarHBondContact O-N 2.92Å |
| 53 | K | 90.9 | Very high | 91.6 | Very high | 119 Ų | 119 | 34.8 Ų | 34.8 | 52% | 0.517 | 18% | 0.182 | S | C | . | . | trans | 67.1 | 19.6 | -173.8 | -53.1 | 175.6 | -176.5 | 171.2 | 0 | 115.9 | T50 A51 L55 | T50-K53 VanDerWaalsContact O-CA 3.3Å; T50-K53 WeakPolarHBondContact O-CA 3.35Å; T50-K53 PolarHBondContact O-N 2.98Å; A51-K53 VanDerWaalsContact C-N 3.26Å; K53-L55 PolarHBondContact O-N 3.26Å | ||
| 54 | W | 91.6 | Very high | 91.6 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | trans | -77.2 | 120.5 | 179.5 | -72.7 | 47.6 | 0 | 0 | 0 | 111.2 | Y24 A49 T50 E52 H58 K62 I113 | Y24-W54 HydrophobicContact CE2-CB 3.74Å; A49-W54 CarbonylContact C-O 3.58Å; A49-W54 VanDerWaalsContact CA-O 3.31Å; A49-W54 WeakPolarHBondContact CA-O 3.48Å; T50-W54 HydrophobicContact CG2-CB 4.18Å; T50-W54 PolarHBondContact N-O 3.01Å; T50-W54 WeakPolarHBondContact OG1-CB 3.48Å; T50-W54 PolarHBondContact OG1-N 3.04Å; T50-W54 VanDerWaalsContact OG1-N 3.13Å; E52-W54 VanDerWaalsContact C-N 3.35Å; W54-H58 HydrophobicContact CB-CB 4.21Å; W54-H58 HydrophobicContact CD2-CB 3.93Å; W54-H58 HydrophobicContact CE3-CB 3.61Å; W54-H58 HydrophobicContact CG-CB 4.23Å; W54-H58 HydrophobicContact CZ3-CB 4.14Å; W54-K62 HydrophobicContact CH2-CB 4.35Å; W54-K62 HydrophobicContact CH2-CD 3.47Å; W54-K62 VanDerWaalsContact CH2-CD 3.47Å; W54-K62 HydrophobicContact CZ3-CB 4Å; W54-K62 HydrophobicContact CZ3-CD 3.72Å; W54-K62 HydrophobicContact CZ3-CG 4.49Å; W54-I113 HydrophobicContact CH2-CD1 3.81Å; W54-I113 HydrophobicContact CZ2-CD1 3.96Å; W54-I113 HydrophobicContact CZ3-CD1 4.3Å | ||
| 55 | L | 93.8 | Very high | 91.7 | Very high | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | trans | -77.1 | 164.5 | 164.5 | -64.1 | 174.7 | 0 | 0 | 0 | 110.1 | Q47 A49 K53 L57 H58 A59 F98 A102 | Q47-L55 VanDerWaalsContact O-CD2 3.28Å; Q47-L55 WeakPolarHBondContact O-CD2 3.44Å; A49-L55 HydrophobicContact CB-CD2 3.93Å; K53-L55 PolarHBondContact O-N 3.26Å; L55-L57 PolarHBondContact O-N 2.56Å; L55-L57 VanDerWaalsContact O-N 3.11Å; L55-H58 WeakPolarHBondContact CB-ND1 3.47Å; L55-H58 PolarHBondContact N-ND1 2.85Å; L55-H58 PolarHBondContact O-N 3.02Å; L55-A59 PolarHBondContact O-N 2.69Å; L55-F98 HydrophobicContact CD1-CB 4.25Å; L55-A102 HydrophobicContact CD1-CB 3.59Å; L55-A102 HydrophobicContact CG-CB 4.43Å | ||
| 56 | P | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.3 | -30.5 | 168.1 | -28.2 | 37.1 | 0 | 0 | 0 | 113.1 | L23 T27 A59 A60 L72 | L23-P56 HydrophobicContact CD2-CB 4.48Å; L23-P56 HydrophobicContact CD2-CG 4.05Å; L23-P56 HydrophobicContact CG-CB 4.37Å; L23-P56 HydrophobicContact CG-CG 4.12Å; T27-P56 VanDerWaalsContact CG2-O 3.24Å; T27-P56 WeakPolarHBondContact CG2-O 3.34Å; P56-A59 PolarHBondContact O-N 3.37Å; P56-A60 WeakPolarHBondContact O-CB 3.37Å; P56-A60 PolarHBondContact O-N 2.87Å; P56-L72 HydrophobicContact CB-CD1 4.3Å; P56-L72 HydrophobicContact CB-CD2 4.25Å |
| 57 | L | 94.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.6 | -176.2 | 60.5 | 0 | 0 | 0 | 113.3 | L55 A59 A60 A61 V69 L72 F73 F98 V100 P110 | L55-L57 PolarHBondContact O-N 2.56Å; L55-L57 VanDerWaalsContact O-N 3.11Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 2.95Å; L57-A60 PolarHBondContact O-N 3.11Å; L57-A61 VanDerWaalsContact O-CB 3.26Å; L57-A61 WeakPolarHBondContact O-CB 3.4Å; L57-A61 PolarHBondContact O-N 3.3Å; L57-V69 HydrophobicContact CD1-CG1 4.3Å; L57-L72 HydrophobicContact CB-CD1 4.34Å; L57-L72 HydrophobicContact CD1-CD1 4.34Å; L57-F73 HydrophobicContact CD1-CE2 3.86Å; L57-F73 HydrophobicContact CD2-CE2 4.24Å; L57-F73 HydrophobicContact CD2-CZ 4.17Å; L57-F98 HydrophobicContact CD2-CD2 4.2Å; L57-F98 HydrophobicContact CD2-CE2 3.79Å; L57-V100 HydrophobicContact CD2-CG1 4.22Å; L57-P110 HydrophobicContact CB-CG 4.43Å; L57-P110 HydrophobicContact CD2-CB 4.13Å; L57-P110 HydrophobicContact CD2-CG 3.87Å; L57-P110 HydrophobicContact CG-CB 3.85Å; L57-P110 HydrophobicContact CG-CG 3.85Å |
| 58 | H | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 174.1 | -61.1 | 82 | 0 | 0 | 0 | 111.3 | W54 L55 A61 K62 A102 I103 D104 M108 I113 | W54-H58 HydrophobicContact CB-CB 4.21Å; W54-H58 HydrophobicContact CD2-CB 3.93Å; W54-H58 HydrophobicContact CE3-CB 3.61Å; W54-H58 HydrophobicContact CG-CB 4.23Å; W54-H58 HydrophobicContact CZ3-CB 4.14Å; L55-H58 WeakPolarHBondContact CB-ND1 3.47Å; L55-H58 PolarHBondContact N-ND1 2.85Å; L55-H58 PolarHBondContact O-N 3.02Å; H58-A61 PolarHBondContact O-N 3.35Å; H58-K62 WeakPolarHBondContact O-CB 3.49Å; H58-K62 PolarHBondContact O-N 2.89Å; H58-A102 VanDerWaalsContact CE1-C 3.47Å; H58-A102 WeakPolarHBondContact CE1-CB 3.48Å; H58-A102 PolarHBondContact CE1-O 3.35Å; H58-A102 VanDerWaalsContact CE1-O 3.29Å; H58-A102 PolarHBondContact NE2-O 3.18Å; H58-I103 VanDerWaalsContact NE2-C 3.35Å; H58-I103 VanDerWaalsContact NE2-CA 3.3Å; H58-I103 WeakPolarHBondContact NE2-CA 3.24Å; H58-I103 PolarHBondContact NE2-N 2.71Å; H58-D104 PolarHBondContact NE2-N 3.33Å; H58-M108 PolarHBondContact NE2-O 2.73Å; H58-I113 HydrophobicContact CB-CD1 4.11Å |
| 59 | A | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y24 T27 H28 L55 P56 L57 A61 K62 I63 | Y24-A59 HydrophobicContact CD2-CB 4.14Å; Y24-A59 HydrophobicContact CE2-CB 3.79Å; T27-A59 HydrophobicContact CG2-CB 3.94Å; H28-A59 HydrophobicContact CB-CB 4.44Å; L55-A59 PolarHBondContact O-N 2.69Å; P56-A59 PolarHBondContact O-N 3.37Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 2.95Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 3.15Å; A59-K62 PolarHBondContact O-N 2.84Å; A59-I63 VanDerWaalsContact O-CD1 3.27Å; A59-I63 WeakPolarHBondContact O-CD1 3.33Å; A59-I63 VanDerWaalsContact O-CG1 3.26Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 3.45Å |
| 60 | A | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | T27 P56 L57 I63 G64 N65 I68 V69 L72 | T27-A60 HydrophobicContact CG2-CB 3.82Å; P56-A60 WeakPolarHBondContact O-CB 3.37Å; P56-A60 PolarHBondContact O-N 2.87Å; L57-A60 PolarHBondContact O-N 3.11Å; A60-I63 PolarHBondContact O-N 3.26Å; A60-G64 PolarHBondContact O-N 3.37Å; A60-G64 VanDerWaalsContact O-N 3.14Å; A60-N65 PolarHBondContact O-N 2.88Å; A60-I68 HydrophobicContact CB-CB 4.48Å; A60-I68 HydrophobicContact CB-CG2 3.85Å; A60-V69 HydrophobicContact CB-CG2 3.76Å; A60-L72 HydrophobicContact CB-CD1 3.99Å |
| 61 | A | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L57 H58 A59 I63 G64 P110 A114 H119 | L57-A61 VanDerWaalsContact O-CB 3.26Å; L57-A61 WeakPolarHBondContact O-CB 3.4Å; L57-A61 PolarHBondContact O-N 3.3Å; H58-A61 PolarHBondContact O-N 3.35Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 3.15Å; A61-I63 VanDerWaalsContact C-N 3.35Å; A61-I63 PolarHBondContact O-N 2.66Å; A61-G64 PolarHBondContact O-N 3.3Å; A61-P110 HydrophobicContact CB-CB 4.04Å; A61-P110 WeakPolarHBondContact CB-O 3.47Å; A61-A114 HydrophobicContact CB-CB 4.18Å; A61-H119 PolarHBondContact O-CD2 2.81Å |
| 62 | K | 92.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 37% | 0.37 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63 | -37.1 | 177.9 | 178.6 | 149.2 | 178 | 119.6 | 0 | 113.7 | W54 H58 A59 I113 E117 H119 | W54-K62 HydrophobicContact CH2-CB 4.35Å; W54-K62 HydrophobicContact CH2-CD 3.47Å; W54-K62 VanDerWaalsContact CH2-CD 3.47Å; W54-K62 HydrophobicContact CZ3-CB 4Å; W54-K62 HydrophobicContact CZ3-CD 3.72Å; W54-K62 HydrophobicContact CZ3-CG 4.49Å; H58-K62 WeakPolarHBondContact O-CB 3.49Å; H58-K62 PolarHBondContact O-N 2.89Å; A59-K62 PolarHBondContact O-N 2.84Å; K62-I113 HydrophobicContact CB-CG2 3.74Å; K62-I113 HydrophobicContact CG-CG2 4.48Å; K62-E117 WeakPolarHBondContact CD-OE1 3.39Å; K62-E117 WeakPolarHBondContact CE-OE1 3.27Å; K62-E117 HydrophobicContact CG-CG 4.24Å; K62-E117 IonicContact NZ-OE1 3.86Å; K62-E117 PolarHBondContact NZ-OE1 3.07Å; K62-H119 PolarHBondContact O-NE2 3.21Å |
| 63 | I | 91.2 | Very high | 92.5 | Very high | 63 Ų | 63 | 31 Ų | 31 | 32% | 0.323 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -77.9 | -26.6 | -179.2 | -60.8 | 158.8 | 0 | 0 | 0 | 111.7 | T27 H28 A59 A60 A61 N65 H119 | T27-I63 WeakPolarHBondContact O-CD1 3.47Å; H28-I63 WeakPolarHBondContact O-CD1 3.42Å; A59-I63 VanDerWaalsContact O-CD1 3.27Å; A59-I63 WeakPolarHBondContact O-CD1 3.33Å; A59-I63 VanDerWaalsContact O-CG1 3.26Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 3.45Å; A60-I63 PolarHBondContact O-N 3.26Å; A61-I63 VanDerWaalsContact C-N 3.35Å; A61-I63 PolarHBondContact O-N 2.66Å; I63-N65 VanDerWaalsContact C-N 3.32Å; I63-N65 HydrophobicContact CB-CB 4.48Å; I63-N65 HydrophobicContact CG2-CB 3.98Å; I63-H119 PolarHBondContact O-CE1 2.86Å |
| 64 | G | 90.2 | Very high | 92.4 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 13.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A60 A61 L66 H119 | A60-G64 PolarHBondContact O-N 3.37Å; A60-G64 VanDerWaalsContact O-N 3.14Å; A61-G64 PolarHBondContact O-N 3.3Å; G64-L66 PolarHBondContact O-N 2.88Å; G64-H119 WeakPolarHBondContact CA-ND1 3.44Å; G64-H119 PolarHBondContact N-NE2 2.96Å |
| 65 | N | 92.3 | Very high | 92.3 | Very high | 38 Ų | 38 | 31.4 Ų | 31.4 | 20% | 0.203 | 16% | 0.155 | C | C | . | . | trans | -79 | 85.9 | -177.8 | -170.5 | -24.6 | 0 | 0 | 0 | 110.9 | A60 I63 E67 I68 V69 | A60-N65 PolarHBondContact O-N 2.88Å; I63-N65 VanDerWaalsContact C-N 3.32Å; I63-N65 HydrophobicContact CB-CB 4.48Å; I63-N65 HydrophobicContact CG2-CB 3.98Å; N65-E67 PolarHBondContact O-N 3Å; N65-E67 VanDerWaalsContact O-N 3.17Å; N65-E67 PolarHBondContact OD1-N 3.01Å; N65-I68 HydrophobicContact CB-CB 4.36Å; N65-I68 HydrophobicContact CB-CD1 4.24Å; N65-I68 HydrophobicContact CB-CG1 4.43Å; N65-I68 VanDerWaalsContact ND2-CD1 3.3Å; N65-I68 WeakPolarHBondContact ND2-CD1 3.41Å; N65-I68 PolarHBondContact O-N 3.27Å; N65-I68 PolarHBondContact OD1-N 3.09Å; N65-V69 PolarHBondContact O-N 2.83Å; N65-V69 VanDerWaalsContact O-N 3.08Å | ||
| 66 | L | 92.1 | Very high | 92 | Very high | 44 Ų | 44 | 36 Ų | 36 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -50.9 | -36.3 | 178.3 | 179.1 | 63.6 | 0 | 0 | 0 | 113.2 | G64 I68 V69 K70 L121 V122 Y125 | G64-L66 PolarHBondContact O-N 2.88Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 2.94Å; L66-V69 PolarHBondContact O-N 3.23Å; L66-K70 HydrophobicContact CD1-CG 4.37Å; L66-K70 HydrophobicContact CG-CD 4.41Å; L66-K70 HydrophobicContact CG-CG 4.46Å; L66-K70 WeakPolarHBondContact O-CB 3.41Å; L66-K70 WeakPolarHBondContact O-CG 3.35Å; L66-K70 PolarHBondContact O-N 3.15Å; L66-L121 HydrophobicContact CD2-CB 4.31Å; L66-V122 HydrophobicContact CB-CG2 4.19Å; L66-V122 HydrophobicContact CD1-CG2 4.49Å; L66-Y125 HydrophobicContact CD1-CD1 4.23Å; L66-Y125 HydrophobicContact CD1-CD2 4.19Å; L66-Y125 HydrophobicContact CD1-CG 3.74Å |
| 67 | E | 90.9 | Very high | 91.8 | Very high | 108 Ų | 108 | 37.2 Ų | 37.2 | 51% | 0.505 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.8 | -33.1 | -178.8 | -166 | 67.2 | -177.5 | 0 | 0 | 111.8 | T32 N65 L71 | T32-E67 HydrophobicContact CG2-CB 4.32Å; T32-E67 HydrophobicContact CG2-CG 3.72Å; N65-E67 PolarHBondContact O-N 3Å; N65-E67 VanDerWaalsContact O-N 3.17Å; N65-E67 PolarHBondContact OD1-N 3.01Å; E67-L71 WeakPolarHBondContact O-CB 3.43Å; E67-L71 VanDerWaalsContact O-CG 3.3Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 3.45Å |
| 68 | I | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.5 | -36.9 | 171.8 | -66.5 | 173.7 | 0 | 0 | 0 | 111.2 | T27 T32 V35 A60 N65 L66 L71 L72 | T27-I68 HydrophobicContact CG2-CG2 3.74Å; T32-I68 HydrophobicContact CG2-CG1 4.33Å; V35-I68 HydrophobicContact CG1-CG2 4.12Å; V35-I68 HydrophobicContact CG2-CD1 4.13Å; V35-I68 HydrophobicContact CG2-CG1 4.42Å; V35-I68 HydrophobicContact CG2-CG2 4.49Å; A60-I68 HydrophobicContact CB-CB 4.48Å; A60-I68 HydrophobicContact CB-CG2 3.85Å; N65-I68 HydrophobicContact CB-CB 4.36Å; N65-I68 HydrophobicContact CB-CD1 4.24Å; N65-I68 HydrophobicContact CB-CG1 4.43Å; N65-I68 VanDerWaalsContact ND2-CD1 3.3Å; N65-I68 WeakPolarHBondContact ND2-CD1 3.41Å; N65-I68 PolarHBondContact O-N 3.27Å; N65-I68 PolarHBondContact OD1-N 3.09Å; L66-I68 VanDerWaalsContact C-N 3.32Å; L66-I68 PolarHBondContact O-N 2.94Å; I68-L71 PolarHBondContact O-N 3.44Å; I68-L72 HydrophobicContact CG2-CD1 4.18Å; I68-L72 HydrophobicContact CG2-CG 4.48Å; I68-L72 WeakPolarHBondContact O-CG 3.46Å; I68-L72 PolarHBondContact O-N 2.89Å |
| 69 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 173.2 | 178.6 | 0 | 0 | 0 | 0 | 110 | L57 A60 N65 L66 L71 L72 F73 V122 Y125 L126 | L57-V69 HydrophobicContact CD1-CG1 4.3Å; A60-V69 HydrophobicContact CB-CG2 3.76Å; N65-V69 PolarHBondContact O-N 2.83Å; N65-V69 VanDerWaalsContact O-N 3.08Å; L66-V69 PolarHBondContact O-N 3.23Å; V69-L71 PolarHBondContact O-N 3.21Å; V69-L72 WeakPolarHBondContact O-CB 3.42Å; V69-L72 PolarHBondContact O-N 3.4Å; V69-F73 HydrophobicContact CG1-CD2 3.9Å; V69-F73 HydrophobicContact CG1-CE2 3.9Å; V69-F73 WeakPolarHBondContact O-CD2 3.48Å; V69-F73 PolarHBondContact O-N 2.82Å; V69-F73 VanDerWaalsContact O-N 3.08Å; V69-V122 HydrophobicContact CG2-CG1 3.98Å; V69-V122 HydrophobicContact CG2-CG2 4.28Å; V69-Y125 HydrophobicContact CG1-CD1 3.83Å; V69-Y125 HydrophobicContact CG1-CE1 4.01Å; V69-L126 HydrophobicContact CG1-CD2 4.45Å |
| 70 | K | 91.9 | Very high | 90.7 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.3 | -49.7 | 173.1 | -74.7 | -176.5 | 174.1 | -169.6 | 0 | 112.3 | L66 L72 F73 E74 Y125 | L66-K70 HydrophobicContact CD1-CG 4.37Å; L66-K70 HydrophobicContact CG-CD 4.41Å; L66-K70 HydrophobicContact CG-CG 4.46Å; L66-K70 WeakPolarHBondContact O-CB 3.41Å; L66-K70 WeakPolarHBondContact O-CG 3.35Å; L66-K70 PolarHBondContact O-N 3.15Å; K70-L72 PolarHBondContact O-N 3.31Å; K70-F73 PolarHBondContact O-N 3.07Å; K70-F73 VanDerWaalsContact O-N 3.09Å; K70-E74 VanDerWaalsContact O-CB 3.27Å; K70-E74 WeakPolarHBondContact O-CB 3.43Å; K70-E74 WeakPolarHBondContact O-CG 3.24Å; K70-E74 PolarHBondContact O-N 3.02Å; K70-Y125 HydrophobicContact CD-CE2 4.31Å; K70-Y125 HydrophobicContact CG-CD2 4.29Å; K70-Y125 HydrophobicContact CG-CE1 4.21Å; K70-Y125 HydrophobicContact CG-CE2 3.68Å |
| 71 | L | 91.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -31.6 | 175.7 | -76.5 | 170.7 | 0 | 0 | 0 | 113.3 | T32 K36 L39 E67 I68 V69 H75 | T32-L71 HydrophobicContact CG2-CD1 3.53Å; K36-L71 HydrophobicContact CB-CD1 4.12Å; K36-L71 HydrophobicContact CB-CD2 4.33Å; K36-L71 HydrophobicContact CD-CD2 4.08Å; K36-L71 HydrophobicContact CG-CD2 4.16Å; L39-L71 HydrophobicContact CD1-CB 4.29Å; E67-L71 WeakPolarHBondContact O-CB 3.43Å; E67-L71 VanDerWaalsContact O-CG 3.3Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 3.45Å; I68-L71 PolarHBondContact O-N 3.44Å; V69-L71 PolarHBondContact O-N 3.21Å; L71-H75 WeakPolarHBondContact O-CB 3.48Å; L71-H75 PolarHBondContact O-N 3.1Å |
| 72 | L | 93.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75 | -31.2 | 175.9 | -71.8 | 169.2 | 0 | 0 | 0 | 113 | L39 P56 L57 A60 I68 V69 K70 F77 F98 | L39-L72 HydrophobicContact CD1-CD2 4.32Å; L39-L72 HydrophobicContact CD2-CD2 4.2Å; P56-L72 HydrophobicContact CB-CD1 4.3Å; P56-L72 HydrophobicContact CB-CD2 4.25Å; L57-L72 HydrophobicContact CB-CD1 4.34Å; L57-L72 HydrophobicContact CD1-CD1 4.34Å; A60-L72 HydrophobicContact CB-CD1 3.99Å; I68-L72 HydrophobicContact CG2-CD1 4.18Å; I68-L72 HydrophobicContact CG2-CG 4.48Å; I68-L72 WeakPolarHBondContact O-CG 3.46Å; I68-L72 PolarHBondContact O-N 2.89Å; V69-L72 WeakPolarHBondContact O-CB 3.42Å; V69-L72 PolarHBondContact O-N 3.4Å; K70-L72 PolarHBondContact O-N 3.31Å; L72-F77 WeakPolarHBondContact O-CE2 3.41Å; L72-F98 HydrophobicContact CB-CE1 4.31Å; L72-F98 HydrophobicContact CB-CZ 4.13Å; L72-F98 VanDerWaalsContact O-CE1 3.22Å; L72-F98 WeakPolarHBondContact O-CE1 3.36Å; L72-F98 VanDerWaalsContact O-CZ 3.23Å; L72-F98 WeakPolarHBondContact O-CZ 3.36Å |
| 73 | F | 90.6 | Very high | 90 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -88.5 | -37.2 | 177.7 | -80.8 | -85.8 | 0 | 0 | 0 | 114 | L57 V69 K70 M96 F98 V100 Y125 L126 V129 | L57-F73 HydrophobicContact CD1-CE2 3.86Å; L57-F73 HydrophobicContact CD2-CE2 4.24Å; L57-F73 HydrophobicContact CD2-CZ 4.17Å; V69-F73 HydrophobicContact CG1-CD2 3.9Å; V69-F73 HydrophobicContact CG1-CE2 3.9Å; V69-F73 WeakPolarHBondContact O-CD2 3.48Å; V69-F73 PolarHBondContact O-N 2.82Å; V69-F73 VanDerWaalsContact O-N 3.08Å; K70-F73 PolarHBondContact O-N 3.07Å; K70-F73 VanDerWaalsContact O-N 3.09Å; F73-M96 HydrophobicContact CD1-CE 3.65Å; F73-M96 HydrophobicContact CE1-CE 3.67Å; F73-M96 HydrophobicContact CE1-SD 4.43Å; F73-F98 HydrophobicContact CZ-CE2 4.48Å; F73-V100 HydrophobicContact CE1-CG1 4.13Å; F73-V100 HydrophobicContact CE1-CG2 3.73Å; F73-V100 HydrophobicContact CZ-CG1 3.69Å; F73-V100 HydrophobicContact CZ-CG2 4.03Å; F73-Y125 HydrophobicContact CB-CE1 4.36Å; F73-Y125 AromaticContact CD2-CE1 3.97Å; F73-Y125 HydrophobicContact CD2-CE1 3.97Å; F73-Y125 HydrophobicContact CG-CE1 4.32Å; F73-L126 HydrophobicContact CE2-CD2 3.66Å; F73-L126 HydrophobicContact CZ-CD2 3.75Å; F73-V129 HydrophobicContact CD1-CG1 3.92Å; F73-V129 HydrophobicContact CD1-CG2 4Å; F73-V129 HydrophobicContact CE1-CB 4.38Å; F73-V129 HydrophobicContact CE1-CG1 3.8Å; F73-V129 HydrophobicContact CE1-CG2 3.79Å; F73-V129 HydrophobicContact CE2-CG2 4.41Å; F73-V129 HydrophobicContact CG-CG2 4.4Å; F73-V129 HydrophobicContact CZ-CG2 4.01Å |
| 74 | E | 89 | Confident | 89.9 | Confident | 124 Ų | 124 | 59.2 Ų | 59.2 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -94.7 | -6.1 | -169.7 | -61.4 | 169.9 | -162.9 | 0 | 0 | 113.2 | K70 Y125 | K70-E74 VanDerWaalsContact O-CB 3.27Å; K70-E74 WeakPolarHBondContact O-CB 3.43Å; K70-E74 WeakPolarHBondContact O-CG 3.24Å; K70-E74 PolarHBondContact O-N 3.02Å; E74-Y125 PolarHBondContact OE1-OH 3.12Å |
| 75 | H | 89.2 | Confident | 89.8 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -70.9 | 133.4 | 177.8 | -177.3 | -93.9 | 0 | 0 | 0 | 111.9 | L39 L71 F77 | L39-H75 HydrophobicContact CD1-CB 4.36Å; L39-H75 PolarHBondContact O-CE1 3.03Å; L39-H75 PolarHBondContact O-NE2 3.49Å; L71-H75 WeakPolarHBondContact O-CB 3.48Å; L71-H75 PolarHBondContact O-N 3.1Å; H75-F77 HydrophobicContact CB-CD2 4.43Å; H75-F77 HydrophobicContact CB-CE2 3.96Å; H75-F77 HydrophobicContact CB-CZ 4.35Å; H75-F77 WeakPolarHBondContact O-CD2 3.34Å; H75-F77 PolarHBondContact O-N 3.47Å |
| 76 | P | 87.3 | Confident | 89.4 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 72% | 0.721 | 31% | 0.306 | S | S | * | . | trans | -76.4 | 82 | -179 | 31.3 | -35.9 | 0 | 0 | 0 | 111.6 | ||||
| 77 | F | 90.2 | Very high | 88.9 | Confident | 26 Ų | 26 | 62 Ų | 62 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | trans | -61.8 | 138.4 | 178.2 | -71.2 | -86.7 | 0 | 0 | 0 | 112.6 | L39 P43 A46 L72 H75 V81 L82 A97 F98 | L39-F77 HydrophobicContact CD2-CE1 3.96Å; L39-F77 HydrophobicContact CD2-CZ 3.86Å; P43-F77 HydrophobicContact CB-CD1 3.88Å; P43-F77 HydrophobicContact CB-CE1 4.22Å; A46-F77 HydrophobicContact CB-CE1 3.66Å; A46-F77 HydrophobicContact CB-CZ 3.92Å; L72-F77 WeakPolarHBondContact O-CE2 3.41Å; H75-F77 HydrophobicContact CB-CD2 4.43Å; H75-F77 HydrophobicContact CB-CE2 3.96Å; H75-F77 HydrophobicContact CB-CZ 4.35Å; H75-F77 WeakPolarHBondContact O-CD2 3.34Å; H75-F77 PolarHBondContact O-N 3.47Å; F77-V81 HydrophobicContact CD1-CG1 4.05Å; F77-L82 HydrophobicContact CB-CD2 4.02Å; F77-A97 HydrophobicContact CB-CB 4.1Å; F77-A97 HydrophobicContact CD1-CB 3.64Å; F77-A97 HydrophobicContact CD2-CB 3.5Å; F77-A97 HydrophobicContact CE1-CB 3.88Å; F77-A97 HydrophobicContact CE2-CB 3.75Å; F77-A97 HydrophobicContact CG-CB 3.45Å; F77-A97 VanDerWaalsContact CG-CB 3.45Å; F77-A97 HydrophobicContact CZ-CB 3.94Å; F77-F98 HydrophobicContact CE2-CE1 4.3Å; F77-F98 HydrophobicContact CZ-CE1 4.2Å | ||
| 78 | P | 85.1 | Confident | 88.1 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 29% | 0.292 | 31% | 0.305 | S | S | . | . | trans | -59.6 | 148.7 | 172.2 | -23.4 | 34.2 | 0 | 0 | 0 | 112.2 | P43 Y80 V81 | P43-P78 HydrophobicContact CB-CG 4.47Å; P43-P78 HydrophobicContact CG-CG 3.87Å; P78-Y80 HydrophobicContact CB-CD1 3.61Å; P78-Y80 HydrophobicContact CB-CE1 3.32Å; P78-Y80 HydrophobicContact CB-CG 4.4Å; P78-Y80 HydrophobicContact CG-CE1 3.88Å; P78-Y80 PolarHBondContact O-N 2.96Å; P78-V81 HydrophobicContact CB-CG2 4.39Å; P78-V81 HydrophobicContact CG-CG2 4.46Å; P78-V81 PolarHBondContact O-N 2.9Å | ||
| 79 | K | 85 | Confident | 87.2 | Confident | 190 Ų | 190 | 66.3 Ų | 66.3 | 83% | 0.826 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -53.7 | -30.4 | -178.6 | -70.8 | -174.2 | 177.7 | -178.8 | 0 | 114.4 | V81 L82 | K79-V81 PolarHBondContact O-N 2.59Å; K79-L82 PolarHBondContact O-N 3.07Å |
| 80 | Y | 87.2 | Confident | 86.4 | Confident | 170 Ų | 170 | 68 Ų | 68 | 67% | 0.667 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -74.2 | -11 | 179 | 69.8 | -100.7 | 0 | 0 | 0 | 114.1 | P78 | P78-Y80 HydrophobicContact CB-CD1 3.61Å; P78-Y80 HydrophobicContact CB-CE1 3.32Å; P78-Y80 HydrophobicContact CB-CG 4.4Å; P78-Y80 HydrophobicContact CG-CE1 3.88Å; P78-Y80 PolarHBondContact O-N 2.96Å |
| 81 | V | 88 | Confident | 85.6 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -98.1 | -7.1 | 175.3 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | P43 Q47 F77 P78 K79 A97 | P43-V81 HydrophobicContact CB-CG2 4.35Å; P43-V81 HydrophobicContact CG-CG2 4.3Å; Q47-V81 HydrophobicContact CG-CG1 4.37Å; Q47-V81 PolarHBondContact NE2-O 2.9Å; F77-V81 HydrophobicContact CD1-CG1 4.05Å; P78-V81 HydrophobicContact CB-CG2 4.39Å; P78-V81 HydrophobicContact CG-CG2 4.46Å; P78-V81 PolarHBondContact O-N 2.9Å; K79-V81 PolarHBondContact O-N 2.59Å; V81-A97 HydrophobicContact CG1-CB 4.35Å; V81-A97 WeakPolarHBondContact O-CA 3.32Å |
| 82 | L | 89.7 | Confident | 85 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 31% | 0.314 | 36% | 0.362 | S | S | . | . | trans | -88.5 | 114.9 | -178.1 | -63 | 179.8 | 0 | 0 | 0 | 111.4 | F77 K79 N95 A97 | F77-L82 HydrophobicContact CB-CD2 4.02Å; K79-L82 PolarHBondContact O-N 3.07Å; L82-N95 HydrophobicContact CB-CB 4.43Å; L82-A97 HydrophobicContact CD2-CB 4.34Å | ||
| 83 | N | 88.5 | Confident | 84.7 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 37% | 0.369 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 148.7 | 172.1 | -65.3 | -32.8 | 0 | 0 | 0 | 110.6 | Q47 Y85 N95 M96 | Q47-N83 PolarHBondContact NE2-ND2 3.49Å; Q47-N83 VanDerWaalsContact NE2-ND2 3.16Å; N83-Y85 HydrophobicContact CB-CE1 4.5Å; N83-Y85 HydrophobicContact CB-CE2 3.88Å; N83-Y85 WeakPolarHBondContact CB-OH 2.89Å; N83-Y85 PolarHBondContact ND2-OH 3.27Å; N83-Y85 WeakPolarHBondContact O-CD2 3.49Å; N83-Y85 WeakPolarHBondContact O-CE2 3.45Å; N83-N95 WeakPolarHBondContact O-CA 3.39Å; N83-M96 PolarHBondContact N-O 2.84Å; N83-M96 PolarHBondContact O-N 2.96Å |
| 84 | T | 88.7 | Confident | 84.6 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.5 | 173.1 | -47.6 | 0 | 0 | 0 | 0 | 110.7 | F86 N95 | T84-F86 HydrophobicContact CG2-CZ 4.43Å; T84-N95 PolarHBondContact OG1-OD1 3.43Å |
| 85 | Y | 87.9 | Confident | 84.6 | Confident | 42 Ų | 42 | 67 Ų | 67 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 165.9 | 174.1 | -58.3 | -75.4 | 0 | 0 | 0 | 110.3 | N83 S93 Y94 M96 N99 | N83-Y85 HydrophobicContact CB-CE1 4.5Å; N83-Y85 HydrophobicContact CB-CE2 3.88Å; N83-Y85 WeakPolarHBondContact CB-OH 2.89Å; N83-Y85 PolarHBondContact ND2-OH 3.27Å; N83-Y85 WeakPolarHBondContact O-CD2 3.49Å; N83-Y85 WeakPolarHBondContact O-CE2 3.45Å; Y85-S93 CarbonylContact O-C 3.48Å; Y85-S93 VanDerWaalsContact O-CA 3.24Å; Y85-S93 WeakPolarHBondContact O-CA 3.44Å; Y85-Y94 HydrophobicContact CD2-CE2 4.15Å; Y85-Y94 HydrophobicContact CG-CE2 4.23Å; Y85-Y94 PolarHBondContact N-O 3.17Å; Y85-Y94 PolarHBondContact O-N 3.29Å; Y85-M96 HydrophobicContact CD2-CB 4.03Å; Y85-M96 HydrophobicContact CE2-CB 3.88Å; Y85-N99 HydrophobicContact CD1-CB 4.43Å; Y85-N99 HydrophobicContact CE1-CB 3.66Å; Y85-N99 PolarHBondContact OH-N 2.85Å; Y85-N99 VanDerWaalsContact OH-N 3.1Å |
| 86 | F | 84.9 | Confident | 84.6 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 161.1 | -175.6 | -60 | -87.1 | 0 | 0 | 0 | 111.6 | T84 F92 Y94 V136 R161 | T84-F86 HydrophobicContact CG2-CZ 4.43Å; F86-F92 VanDerWaalsContact CA-O 3.29Å; F86-F92 WeakPolarHBondContact CA-O 3.49Å; F86-Y94 WeakPolarHBondContact O-CE1 3.45Å; F86-V136 HydrophobicContact CD1-CG2 3.96Å; F86-V136 HydrophobicContact CE1-CG1 4.41Å; F86-V136 HydrophobicContact CE1-CG2 3.89Å; F86-R161 PolarHBondContact O-NH2 3.11Å |
| 87 | D | 81.9 | Confident | 84.7 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | trans | -78 | -171.3 | 171.3 | 80.1 | -62.8 | 0 | 0 | 0 | 112.2 | S89 G90 A91 F92 F157 R161 | D87-S89 PolarHBondContact OD1-OG 3.04Å; D87-S89 WeakPolarHBondContact OD2-CA 3.2Å; D87-S89 VanDerWaalsContact OD2-CB 3.29Å; D87-S89 WeakPolarHBondContact OD2-CB 3.34Å; D87-S89 PolarHBondContact OD2-N 2.76Å; D87-S89 PolarHBondContact OD2-OG 2.94Å; D87-G90 WeakPolarHBondContact OD1-CA 3.49Å; D87-G90 PolarHBondContact OD1-N 3.44Å; D87-A91 PolarHBondContact OD1-N 3.46Å; D87-F92 HydrophobicContact CB-CB 4.17Å; D87-F92 PolarHBondContact N-O 3.13Å; D87-F92 VanDerWaalsContact N-O 3.08Å; D87-F92 PolarHBondContact OD1-N 3.49Å; D87-F157 HydrophobicContact CB-CE1 4.05Å; D87-F157 HydrophobicContact CB-CE2 4.06Å; D87-F157 HydrophobicContact CB-CZ 3.59Å; D87-R161 PolarHBondContact O-NH2 3.46Å | ||
| 88 | D | 72.9 | Confident | 84.7 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 61% | 0.61 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -77.8 | -24.8 | 178.3 | -77.2 | -78.8 | 0 | 0 | 0 | 113.5 | R161 | D88-R161 IonicContact OD1-CZ 3.46Å; D88-R161 IonicContact OD1-NE 2.85Å; D88-R161 IonicContact OD1-NH1 2.91Å; D88-R161 PolarHBondContact OD1-NH1 3.1Å; D88-R161 WeakPolarHBondContact OD2-CD 3.27Å; D88-R161 IonicContact OD2-CZ 2.75Å; D88-R161 IonicContact OD2-NE 3.35Å; D88-R161 PolarHBondContact OD2-NE 2.93Å; D88-R161 IonicContact OD2-NH1 3.95Å |
| 89 | S | 75.5 | Confident | 85 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -86 | -22.6 | 174.7 | 73.4 | 0 | 0 | 0 | 0 | 113.6 | D87 A91 | D87-S89 PolarHBondContact OD1-OG 3.04Å; D87-S89 WeakPolarHBondContact OD2-CA 3.2Å; D87-S89 VanDerWaalsContact OD2-CB 3.29Å; D87-S89 WeakPolarHBondContact OD2-CB 3.34Å; D87-S89 PolarHBondContact OD2-N 2.76Å; D87-S89 PolarHBondContact OD2-OG 2.94Å; S89-A91 WeakPolarHBondContact OG-CB 3.48Å; S89-A91 PolarHBondContact OG-N 2.77Å |
| 90 | G | 76.7 | Confident | 85.2 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 80.8 | -1.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D87 F92 | D87-G90 WeakPolarHBondContact OD1-CA 3.49Å; D87-G90 PolarHBondContact OD1-N 3.44Å; G90-F92 VanDerWaalsContact C-N 3.28Å; G90-F92 PolarHBondContact O-N 3.27Å |
| 91 | A | 74 | Confident | 85.4 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -75.4 | -14.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D87 S89 P135 V136 | D87-A91 PolarHBondContact OD1-N 3.46Å; S89-A91 WeakPolarHBondContact OG-CB 3.48Å; S89-A91 PolarHBondContact OG-N 2.77Å; A91-P135 CarbonylContact O-C 3.44Å; A91-P135 WeakPolarHBondContact O-CA 3.19Å; A91-V136 PolarHBondContact O-N 3.27Å |
| 92 | F | 79 | Confident | 85.6 | Confident | 69 Ų | 69 | 45.4 Ų | 45.4 | 30% | 0.303 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.5 | -175 | -68 | -75.8 | 0 | 0 | 0 | 112.7 | F86 D87 G90 V133 R134 P135 | F86-F92 VanDerWaalsContact CA-O 3.29Å; F86-F92 WeakPolarHBondContact CA-O 3.49Å; D87-F92 HydrophobicContact CB-CB 4.17Å; D87-F92 PolarHBondContact N-O 3.13Å; D87-F92 VanDerWaalsContact N-O 3.08Å; D87-F92 PolarHBondContact OD1-N 3.49Å; G90-F92 VanDerWaalsContact C-N 3.28Å; G90-F92 PolarHBondContact O-N 3.27Å; F92-V133 HydrophobicContact CB-CB 3.96Å; F92-V133 HydrophobicContact CB-CG1 4.02Å; F92-V133 HydrophobicContact CB-CG2 4.31Å; F92-V133 HydrophobicContact CD1-CB 4.05Å; F92-V133 HydrophobicContact CD1-CG2 3.81Å; F92-V133 HydrophobicContact CE1-CG2 4.49Å; F92-V133 HydrophobicContact CG-CB 4.32Å; F92-V133 HydrophobicContact CG-CG2 4.19Å; F92-R134 WeakPolarHBondContact CA-O 3.36Å; F92-P135 HydrophobicContact CD1-CB 4.43Å; F92-P135 HydrophobicContact CE1-CB 4.19Å |
| 93 | S | 87 | Confident | 85.7 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.7 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 112 | Y85 V133 R134 | Y85-S93 CarbonylContact O-C 3.48Å; Y85-S93 VanDerWaalsContact O-CA 3.24Å; Y85-S93 WeakPolarHBondContact O-CA 3.44Å; S93-V133 WeakPolarHBondContact O-CA 3.44Å; S93-R134 PolarHBondContact N-O 3.18Å; S93-R134 PolarHBondContact O-N 3.06Å; S93-R134 PolarHBondContact OG-O 3.44Å |
| 94 | Y | 88.6 | Confident | 85.8 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 153.4 | 177.1 | 58.8 | -84.3 | 0 | 0 | 0 | 110.8 | Y85 F86 M96 V131 V133 F157 P159 | Y85-Y94 HydrophobicContact CD2-CE2 4.15Å; Y85-Y94 HydrophobicContact CG-CE2 4.23Å; Y85-Y94 PolarHBondContact N-O 3.17Å; Y85-Y94 PolarHBondContact O-N 3.29Å; F86-Y94 WeakPolarHBondContact O-CE1 3.45Å; Y94-M96 HydrophobicContact CD2-CG 4.31Å; Y94-V131 HydrophobicContact CD1-CG2 4.26Å; Y94-V131 HydrophobicContact CD2-CB 4.33Å; Y94-V131 HydrophobicContact CD2-CG1 4.32Å; Y94-V131 HydrophobicContact CD2-CG2 3.8Å; Y94-V131 HydrophobicContact CE2-CG2 4.39Å; Y94-V131 HydrophobicContact CG-CB 4.44Å; Y94-V131 HydrophobicContact CG-CG2 3.72Å; Y94-V133 HydrophobicContact CD1-CG1 4Å; Y94-V133 HydrophobicContact CG-CG1 4.42Å; Y94-F157 HydrophobicContact CD1-CD1 4.4Å; Y94-F157 HydrophobicContact CD1-CE1 4.49Å; Y94-F157 HydrophobicContact CE1-CD1 4.36Å; Y94-F157 HydrophobicContact CE1-CE1 4.04Å; Y94-P159 HydrophobicContact CD2-CB 4.48Å; Y94-P159 HydrophobicContact CE2-CB 3.74Å |
| 95 | N | 88.4 | Confident | 85.8 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.7 | -177.6 | -67.9 | 10.1 | 0 | 0 | 0 | 110.7 | L82 N83 T84 | L82-N95 HydrophobicContact CB-CB 4.43Å; N83-N95 WeakPolarHBondContact O-CA 3.39Å; T84-N95 PolarHBondContact OG1-OD1 3.43Å |
| 96 | M | 89.6 | Confident | 85.7 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.7 | 174.7 | -84.8 | -158 | 70.4 | 0 | 0 | 112 | F73 N83 Y85 Y94 F98 V100 V131 | F73-M96 HydrophobicContact CD1-CE 3.65Å; F73-M96 HydrophobicContact CE1-CE 3.67Å; F73-M96 HydrophobicContact CE1-SD 4.43Å; N83-M96 PolarHBondContact N-O 2.84Å; N83-M96 PolarHBondContact O-N 2.96Å; Y85-M96 HydrophobicContact CD2-CB 4.03Å; Y85-M96 HydrophobicContact CE2-CB 3.88Å; Y94-M96 HydrophobicContact CD2-CG 4.31Å; M96-F98 VanDerWaalsContact C-N 3.31Å; M96-F98 HydrophobicContact CE-CE2 3.9Å; M96-F98 HydrophobicContact CE-CZ 4.13Å; M96-F98 PolarHBondContact O-N 3.13Å; M96-V100 HydrophobicContact CE-CG2 3.65Å; M96-V100 HydrophobicContact SD-CG2 3.45Å; M96-V100 WeakPolarHBondContact SD-CG2 3.39Å; M96-V131 HydrophobicContact CG-CG1 4.21Å; M96-V131 HydrophobicContact SD-CG1 3.98Å |
| 97 | A | 89.8 | Confident | 85.9 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -65.9 | -33.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q47 F77 V81 L82 | Q47-A97 WeakPolarHBondContact CG-O 3.28Å; Q47-A97 PolarHBondContact NE2-O 2.98Å; F77-A97 HydrophobicContact CB-CB 4.1Å; F77-A97 HydrophobicContact CD1-CB 3.64Å; F77-A97 HydrophobicContact CD2-CB 3.5Å; F77-A97 HydrophobicContact CE1-CB 3.88Å; F77-A97 HydrophobicContact CE2-CB 3.75Å; F77-A97 HydrophobicContact CG-CB 3.45Å; F77-A97 VanDerWaalsContact CG-CB 3.45Å; F77-A97 HydrophobicContact CZ-CB 3.94Å; V81-A97 HydrophobicContact CG1-CB 4.35Å; V81-A97 WeakPolarHBondContact O-CA 3.32Å; L82-A97 HydrophobicContact CD2-CB 4.34Å |
| 98 | F | 91 | Very high | 86.4 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -145.3 | 161.8 | -176.7 | 47.5 | -100.7 | 0 | 0 | 0 | 110.4 | A46 L55 L57 L72 F73 F77 M96 V100 | A46-F98 HydrophobicContact CB-CD1 4Å; A46-F98 HydrophobicContact CB-CE1 4.49Å; L55-F98 HydrophobicContact CD1-CB 4.25Å; L57-F98 HydrophobicContact CD2-CD2 4.2Å; L57-F98 HydrophobicContact CD2-CE2 3.79Å; L72-F98 HydrophobicContact CB-CE1 4.31Å; L72-F98 HydrophobicContact CB-CZ 4.13Å; L72-F98 VanDerWaalsContact O-CE1 3.22Å; L72-F98 WeakPolarHBondContact O-CE1 3.36Å; L72-F98 VanDerWaalsContact O-CZ 3.23Å; L72-F98 WeakPolarHBondContact O-CZ 3.36Å; F73-F98 HydrophobicContact CZ-CE2 4.48Å; F77-F98 HydrophobicContact CE2-CE1 4.3Å; F77-F98 HydrophobicContact CZ-CE1 4.2Å; M96-F98 VanDerWaalsContact C-N 3.31Å; M96-F98 HydrophobicContact CE-CE2 3.9Å; M96-F98 HydrophobicContact CE-CZ 4.13Å; M96-F98 PolarHBondContact O-N 3.13Å; F98-V100 HydrophobicContact CD2-CG2 4.47Å; F98-V100 HydrophobicContact CE2-CG2 4.23Å; F98-V100 PolarHBondContact O-N 3.02Å |
| 99 | N | 89.9 | Confident | 87.4 | Confident | 57 Ų | 57 | 36.8 Ų | 36.8 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | trans | -78.5 | 112.1 | 176.3 | 178.5 | 7.1 | 0 | 0 | 0 | 109.6 | Y85 N101 A102 | Y85-N99 HydrophobicContact CD1-CB 4.43Å; Y85-N99 HydrophobicContact CE1-CB 3.66Å; Y85-N99 PolarHBondContact OH-N 2.85Å; Y85-N99 VanDerWaalsContact OH-N 3.1Å; N99-N101 PolarHBondContact O-N 3.4Å; N99-N101 WeakPolarHBondContact OD1-CA 3.2Å; N99-N101 PolarHBondContact OD1-N 3.3Å; N99-A102 HydrophobicContact CB-CB 4.12Å; N99-A102 WeakPolarHBondContact O-CB 3.45Å; N99-A102 PolarHBondContact O-N 2.69Å; N99-A102 VanDerWaalsContact O-N 3.08Å; N99-A102 PolarHBondContact OD1-N 2.91Å | ||
| 100 | V | 90.5 | Very high | 88.2 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.9 | 178.6 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | L57 F73 M96 F98 P110 V160 | L57-V100 HydrophobicContact CD2-CG1 4.22Å; F73-V100 HydrophobicContact CE1-CG1 4.13Å; F73-V100 HydrophobicContact CE1-CG2 3.73Å; F73-V100 HydrophobicContact CZ-CG1 3.69Å; F73-V100 HydrophobicContact CZ-CG2 4.03Å; M96-V100 HydrophobicContact CE-CG2 3.65Å; M96-V100 HydrophobicContact SD-CG2 3.45Å; M96-V100 WeakPolarHBondContact SD-CG2 3.39Å; F98-V100 HydrophobicContact CD2-CG2 4.47Å; F98-V100 HydrophobicContact CE2-CG2 4.23Å; F98-V100 PolarHBondContact O-N 3.02Å; V100-P110 WeakPolarHBondContact O-CD 3.39Å; V100-V160 HydrophobicContact CG1-CG2 3.66Å |
| 101 | N | 91.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 25.4 | 175.8 | -51.7 | -71.2 | 0 | 0 | 0 | 112 | N99 P159 R161 L164 | N99-N101 PolarHBondContact O-N 3.4Å; N99-N101 WeakPolarHBondContact OD1-CA 3.2Å; N99-N101 PolarHBondContact OD1-N 3.3Å; N101-P159 PolarHBondContact ND2-O 2.65Å; N101-R161 PolarHBondContact OD1-N 2.78Å; N101-L164 HydrophobicContact CB-CD1 3.81Å |
| 102 | A | 90.9 | Very high | 90.1 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 13% | 0.132 | 17% | 0.165 | C | C | . | . | trans | -59.9 | 139.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L55 H58 N99 P110 | L55-A102 HydrophobicContact CD1-CB 3.59Å; L55-A102 HydrophobicContact CG-CB 4.43Å; H58-A102 VanDerWaalsContact CE1-C 3.47Å; H58-A102 WeakPolarHBondContact CE1-CB 3.48Å; H58-A102 PolarHBondContact CE1-O 3.35Å; H58-A102 VanDerWaalsContact CE1-O 3.29Å; H58-A102 PolarHBondContact NE2-O 3.18Å; N99-A102 HydrophobicContact CB-CB 4.12Å; N99-A102 WeakPolarHBondContact O-CB 3.45Å; N99-A102 PolarHBondContact O-N 2.69Å; N99-A102 VanDerWaalsContact O-N 3.08Å; N99-A102 PolarHBondContact OD1-N 2.91Å; A102-P110 WeakPolarHBondContact O-CD 3.42Å | ||
| 103 | I | 92.2 | Very high | 90.7 | Very high | 88 Ų | 88 | 26.3 Ų | 26.3 | 45% | 0.451 | 15% | 0.151 | S | C | . | . | trans | -106.3 | 140.5 | 178.9 | 57.5 | 172.3 | 0 | 0 | 0 | 111.4 | H58 G107 M108 T109 | H58-I103 VanDerWaalsContact NE2-C 3.35Å; H58-I103 VanDerWaalsContact NE2-CA 3.3Å; H58-I103 WeakPolarHBondContact NE2-CA 3.24Å; H58-I103 PolarHBondContact NE2-N 2.71Å; I103-G107 VanDerWaalsContact CG2-O 3.29Å; I103-G107 WeakPolarHBondContact CG2-O 3.28Å; I103-M108 WeakPolarHBondContact CA-O 3.45Å; I103-T109 HydrophobicContact CG2-CG2 3.85Å | ||
| 104 | D | 91.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | trans | -76.3 | -169.2 | 173.1 | 73.4 | 2 | 0 | 0 | 0 | 112.4 | H58 E106 G107 M108 | H58-D104 PolarHBondContact NE2-N 3.33Å; D104-E106 VanDerWaalsContact C-N 3.28Å; D104-E106 PolarHBondContact O-N 3.36Å; D104-E106 WeakPolarHBondContact OD1-CA 3.49Å; D104-E106 PolarHBondContact OD1-N 3.11Å; D104-G107 PolarHBondContact O-N 3.31Å; D104-G107 PolarHBondContact OD1-N 3.35Å; D104-M108 PolarHBondContact N-O 2.79Å; D104-M108 PolarHBondContact OD1-N 3.18Å | ||
| 105 | A | 88.2 | Confident | 91.4 | Very high | 70 Ų | 70 | 25 Ų | 25 | 58% | 0.579 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E52 | E52-A105 WeakPolarHBondContact O-CB 3.42Å; E52-A105 PolarHBondContact O-N 2.92Å |
| 106 | E | 85.9 | Confident | 91.5 | Very high | 99 Ų | 99 | 23 Ų | 23 | 46% | 0.463 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 2 | 174.1 | -66.5 | -162.8 | -144.9 | 0 | 0 | 113 | D104 M108 A167 K168 | D104-E106 VanDerWaalsContact C-N 3.28Å; D104-E106 PolarHBondContact O-N 3.36Å; D104-E106 WeakPolarHBondContact OD1-CA 3.49Å; D104-E106 PolarHBondContact OD1-N 3.11Å; E106-M108 VanDerWaalsContact C-N 3.34Å; E106-M108 HydrophobicContact CB-CG 4.43Å; E106-A167 WeakPolarHBondContact O-CB 3.49Å; E106-A167 PolarHBondContact O-N 2.94Å; E106-K168 WeakPolarHBondContact OE2-CE 3.25Å; E106-K168 IonicContact OE2-NZ 3.18Å; E106-K168 PolarHBondContact OE2-NZ 3.13Å |
| 107 | G | 89.2 | Confident | 91.6 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 82.5 | 7.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I103 D104 | I103-G107 VanDerWaalsContact CG2-O 3.29Å; I103-G107 WeakPolarHBondContact CG2-O 3.28Å; D104-G107 PolarHBondContact O-N 3.31Å; D104-G107 PolarHBondContact OD1-N 3.35Å |
| 108 | M | 92.1 | Very high | 91.7 | Very high | 26 Ų | 26 | 25.8 Ų | 25.8 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | trans | -82.6 | 136.5 | -176.6 | -63.7 | -163.7 | -66.9 | 0 | 0 | 112.4 | H58 I103 D104 E106 M112 I113 D166 M175 | H58-M108 PolarHBondContact NE2-O 2.73Å; I103-M108 WeakPolarHBondContact CA-O 3.45Å; D104-M108 PolarHBondContact N-O 2.79Å; D104-M108 PolarHBondContact OD1-N 3.18Å; E106-M108 VanDerWaalsContact C-N 3.34Å; E106-M108 HydrophobicContact CB-CG 4.43Å; M108-M112 HydrophobicContact CB-CB 4.19Å; M108-M112 HydrophobicContact CB-SD 4.41Å; M108-I113 HydrophobicContact CB-CD1 4.45Å; M108-I113 HydrophobicContact CB-CG1 4.02Å; M108-I113 HydrophobicContact CE-CG1 4.12Å; M108-D166 HydrophobicContact CG-CB 4.11Å; M108-M175 HydrophobicContact CG-CE 4.33Å; M108-M175 HydrophobicContact SD-CE 4.2Å | ||
| 109 | T | 94 | Very high | 91.8 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | trans | -85.7 | 163.8 | 171.1 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | I103 L111 M112 I113 L164 | I103-T109 HydrophobicContact CG2-CG2 3.85Å; T109-L111 PolarHBondContact O-N 2.74Å; T109-M112 HydrophobicContact CG2-SD 4.3Å; T109-M112 PolarHBondContact N-SD 3.03Å; T109-M112 WeakPolarHBondContact O-CB 3.15Å; T109-M112 PolarHBondContact O-N 2.84Å; T109-M112 WeakPolarHBondContact OG1-CG 3.4Å; T109-M112 PolarHBondContact OG1-N 2.87Å; T109-I113 PolarHBondContact O-N 2.97Å; T109-L164 HydrophobicContact CG2-CD1 3.95Å | ||
| 110 | P | 93.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.2 | -33 | 172.1 | -26 | 35 | 0 | 0 | 0 | 113.4 | L57 A61 V100 A102 A114 | L57-P110 HydrophobicContact CB-CG 4.43Å; L57-P110 HydrophobicContact CD2-CB 4.13Å; L57-P110 HydrophobicContact CD2-CG 3.87Å; L57-P110 HydrophobicContact CG-CB 3.85Å; L57-P110 HydrophobicContact CG-CG 3.85Å; A61-P110 HydrophobicContact CB-CB 4.04Å; A61-P110 WeakPolarHBondContact CB-O 3.47Å; V100-P110 WeakPolarHBondContact O-CD 3.39Å; A102-P110 WeakPolarHBondContact O-CD 3.42Å; P110-A114 VanDerWaalsContact O-CB 3.26Å; P110-A114 WeakPolarHBondContact O-CB 3.37Å; P110-A114 PolarHBondContact O-N 3.24Å |
| 111 | L | 94.8 | Very high | 92 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 172.8 | -179.5 | 69.8 | 0 | 0 | 0 | 111.5 | T109 A114 V115 V123 L126 L127 V160 A172 L188 | T109-L111 PolarHBondContact O-N 2.74Å; L111-A114 PolarHBondContact O-N 2.98Å; L111-V115 HydrophobicContact CD1-CG2 4.48Å; L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 2.98Å; L111-V123 HydrophobicContact CD1-CG1 3.92Å; L111-L126 HydrophobicContact CD1-CB 4.38Å; L111-L126 HydrophobicContact CD1-CD1 4.43Å; L111-L127 HydrophobicContact CD1-CD2 4.2Å; L111-L127 HydrophobicContact CD1-CG 4.22Å; L111-L127 HydrophobicContact CD2-CD2 4.18Å; L111-V160 HydrophobicContact CB-CG1 4.18Å; L111-V160 HydrophobicContact CD2-CG1 3.86Å; L111-V160 HydrophobicContact CG-CG1 4.41Å; L111-A172 HydrophobicContact CD2-CB 4.14Å; L111-A172 HydrophobicContact CG-CB 4.34Å; L111-L188 HydrophobicContact CD2-CD2 4.38Å |
| 112 | M | 94.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 177.2 | -72.5 | 166 | 178.1 | 0 | 0 | 111.5 | M108 T109 V115 D116 L164 D166 A172 M175 | M108-M112 HydrophobicContact CB-CB 4.19Å; M108-M112 HydrophobicContact CB-SD 4.41Å; T109-M112 HydrophobicContact CG2-SD 4.3Å; T109-M112 PolarHBondContact N-SD 3.03Å; T109-M112 WeakPolarHBondContact O-CB 3.15Å; T109-M112 PolarHBondContact O-N 2.84Å; T109-M112 WeakPolarHBondContact OG1-CG 3.4Å; T109-M112 PolarHBondContact OG1-N 2.87Å; M112-V115 PolarHBondContact O-N 2.97Å; M112-V115 VanDerWaalsContact O-N 3.15Å; M112-D116 WeakPolarHBondContact O-CB 3.49Å; M112-D116 PolarHBondContact O-N 2.76Å; M112-L164 HydrophobicContact CE-CB 4.06Å; M112-L164 WeakPolarHBondContact CE-O 3.49Å; M112-D166 HydrophobicContact SD-CB 4.21Å; M112-A172 HydrophobicContact CG-CB 4.43Å; M112-M175 HydrophobicContact CB-CE 4.17Å; M112-M175 HydrophobicContact CB-SD 3.68Å; M112-M175 HydrophobicContact CG-CE 4.15Å; M112-M175 HydrophobicContact CG-SD 3.82Å; M112-M175 HydrophobicContact SD-CE 4.21Å |
| 113 | I | 93.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.2 | -64.7 | 175.6 | 0 | 0 | 0 | 110.8 | W54 H58 K62 M108 T109 V115 D116 E117 | W54-I113 HydrophobicContact CH2-CD1 3.81Å; W54-I113 HydrophobicContact CZ2-CD1 3.96Å; W54-I113 HydrophobicContact CZ3-CD1 4.3Å; H58-I113 HydrophobicContact CB-CD1 4.11Å; K62-I113 HydrophobicContact CB-CG2 3.74Å; K62-I113 HydrophobicContact CG-CG2 4.48Å; M108-I113 HydrophobicContact CB-CD1 4.45Å; M108-I113 HydrophobicContact CB-CG1 4.02Å; M108-I113 HydrophobicContact CE-CG1 4.12Å; T109-I113 PolarHBondContact O-N 2.97Å; I113-V115 PolarHBondContact O-N 2.82Å; I113-D116 PolarHBondContact O-N 3.27Å; I113-E117 HydrophobicContact CG2-CG 4.32Å; I113-E117 WeakPolarHBondContact O-CB 3.33Å; I113-E117 WeakPolarHBondContact O-CG 3.41Å; I113-E117 PolarHBondContact O-N 3.27Å |
| 114 | A | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -63.6 | -26.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A61 P110 L111 G118 H119 V122 V123 L126 | A61-A114 HydrophobicContact CB-CB 4.18Å; P110-A114 VanDerWaalsContact O-CB 3.26Å; P110-A114 WeakPolarHBondContact O-CB 3.37Å; P110-A114 PolarHBondContact O-N 3.24Å; L111-A114 PolarHBondContact O-N 2.98Å; A114-G118 CarbonylContact O-C 3.58Å; A114-G118 WeakPolarHBondContact O-CA 3.32Å; A114-G118 PolarHBondContact O-N 2.55Å; A114-H119 PolarHBondContact O-N 2.91Å; A114-V122 HydrophobicContact CB-CG1 3.98Å; A114-V123 HydrophobicContact CB-CG2 3.67Å; A114-V123 WeakPolarHBondContact O-CG2 3.07Å; A114-L126 HydrophobicContact CB-CD1 4.26Å |
| 115 | V | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -82.5 | -37.2 | 174.8 | 167 | 0 | 0 | 0 | 0 | 112.6 | L111 M112 I113 G118 V123 A172 M175 A176 L184 L188 | L111-V115 HydrophobicContact CD1-CG2 4.48Å; L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 2.98Å; M112-V115 PolarHBondContact O-N 2.97Å; M112-V115 VanDerWaalsContact O-N 3.15Å; I113-V115 PolarHBondContact O-N 2.82Å; V115-G118 VanDerWaalsContact O-CA 3.28Å; V115-G118 WeakPolarHBondContact O-CA 3.48Å; V115-G118 PolarHBondContact O-N 2.79Å; V115-V123 HydrophobicContact CG2-CB 4.49Å; V115-V123 HydrophobicContact CG2-CG1 3.92Å; V115-V123 HydrophobicContact CG2-CG2 3.67Å; V115-A172 WeakPolarHBondContact CG1-O 3.37Å; V115-A172 HydrophobicContact CG2-CB 4.45Å; V115-M175 HydrophobicContact CG1-CB 4.18Å; V115-A176 HydrophobicContact CG1-CB 3.75Å; V115-L184 HydrophobicContact CG1-CD1 4.25Å; V115-L184 WeakPolarHBondContact O-CD1 3.47Å; V115-L188 HydrophobicContact CG1-CD1 4.47Å; V115-L188 HydrophobicContact CG2-CD1 4.18Å |
| 116 | D | 91.6 | Very high | 92.5 | Very high | 48 Ų | 48 | 28.9 Ų | 28.9 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -74.3 | -43.8 | -176.9 | -163.9 | 59.8 | 0 | 0 | 0 | 112.5 | M112 I113 G118 R179 | M112-D116 WeakPolarHBondContact O-CB 3.49Å; M112-D116 PolarHBondContact O-N 2.76Å; I113-D116 PolarHBondContact O-N 3.27Å; D116-G118 VanDerWaalsContact C-N 3.27Å; D116-R179 IonicContact OD1-CZ 2.63Å; D116-R179 VanDerWaalsContact OD1-CZ 3.23Å; D116-R179 IonicContact OD1-NE 2.67Å; D116-R179 PolarHBondContact OD1-NE 2.81Å; D116-R179 IonicContact OD1-NH2 3.45Å; D116-R179 PolarHBondContact OD1-NH2 3.26Å; D116-R179 IonicContact OD2-CZ 2.63Å; D116-R179 IonicContact OD2-NE 3.03Å; D116-R179 IonicContact OD2-NH2 2.91Å; D116-R179 PolarHBondContact OD2-NH2 3Å |
| 117 | E | 92.2 | Very high | 92.7 | Very high | 75 Ų | 75 | 24.5 Ų | 24.5 | 35% | 0.35 | 13% | 0.126 | S | C | . | . | I | π-helix | trans | -70.9 | -29.7 | 165.3 | -54.1 | -76.3 | -176.7 | 0 | 0 | 110.2 | K62 I113 R181 | K62-E117 WeakPolarHBondContact CD-OE1 3.39Å; K62-E117 WeakPolarHBondContact CE-OE1 3.27Å; K62-E117 HydrophobicContact CG-CG 4.24Å; K62-E117 IonicContact NZ-OE1 3.86Å; K62-E117 PolarHBondContact NZ-OE1 3.07Å; I113-E117 HydrophobicContact CG2-CG 4.32Å; I113-E117 WeakPolarHBondContact O-CB 3.33Å; I113-E117 WeakPolarHBondContact O-CG 3.41Å; I113-E117 PolarHBondContact O-N 3.27Å; E117-R181 PolarHBondContact O-NH2 2.98Å |
| 118 | G | 90.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 29 Ų | 29 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | 74.7 | 57 | 170 | 0 | 0 | 0 | 0 | 0 | 114.7 | A114 V115 D116 L120 R181 | A114-G118 CarbonylContact O-C 3.58Å; A114-G118 WeakPolarHBondContact O-CA 3.32Å; A114-G118 PolarHBondContact O-N 2.55Å; V115-G118 VanDerWaalsContact O-CA 3.28Å; V115-G118 WeakPolarHBondContact O-CA 3.48Å; V115-G118 PolarHBondContact O-N 2.79Å; D116-G118 VanDerWaalsContact C-N 3.27Å; G118-L120 PolarHBondContact O-N 3.19Å; G118-R181 VanDerWaalsContact CA-NH2 3.32Å; G118-R181 VanDerWaalsContact O-CZ 3.23Å; G118-R181 PolarHBondContact O-NH1 2.89Å; G118-R181 PolarHBondContact O-NH2 3.27Å |
| 119 | H | 93.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 28.5 Ų | 28.5 | 25% | 0.25 | 14% | 0.143 | C | C | . | . | trans | -91.3 | 81.2 | 176.7 | -63.9 | -64.9 | 0 | 0 | 0 | 110.7 | A61 K62 I63 G64 A114 L121 V122 V123 | A61-H119 PolarHBondContact O-CD2 2.81Å; K62-H119 PolarHBondContact O-NE2 3.21Å; I63-H119 PolarHBondContact O-CE1 2.86Å; G64-H119 WeakPolarHBondContact CA-ND1 3.44Å; G64-H119 PolarHBondContact N-NE2 2.96Å; A114-H119 PolarHBondContact O-N 2.91Å; H119-L121 VanDerWaalsContact C-N 3.3Å; H119-L121 PolarHBondContact O-N 2.92Å; H119-L121 VanDerWaalsContact O-N 3.11Å; H119-V122 HydrophobicContact CB-CB 4.08Å; H119-V122 HydrophobicContact CB-CG2 4.3Å; H119-V122 WeakPolarHBondContact O-CA 3.34Å; H119-V122 PolarHBondContact O-N 3.21Å; H119-V123 PolarHBondContact O-N 3.4Å | ||
| 120 | L | 91.4 | Very high | 92 | Very high | 68 Ų | 68 | 31.7 Ų | 31.7 | 36% | 0.356 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -44.5 | -47.9 | -172.1 | -175.5 | 64.8 | 0 | 0 | 0 | 114.1 | G118 V122 V123 D124 D183 L184 L187 | G118-L120 PolarHBondContact O-N 3.19Å; L120-V122 VanDerWaalsContact C-N 3.33Å; L120-V122 PolarHBondContact O-N 2.98Å; L120-V123 PolarHBondContact O-N 3.39Å; L120-D124 WeakPolarHBondContact O-CB 3.42Å; L120-D124 PolarHBondContact O-N 2.99Å; L120-D183 HydrophobicContact CD1-CB 4.06Å; L120-D183 HydrophobicContact CD2-CB 4.29Å; L120-L184 HydrophobicContact CB-CD2 4.5Å; L120-L184 HydrophobicContact CD1-CD2 3.72Å; L120-L184 HydrophobicContact CD1-CG 4.34Å; L120-L187 HydrophobicContact CD1-CD2 3.75Å |
| 121 | L | 91.8 | Very high | 91.7 | Very high | 116 Ų | 116 | 32.5 Ų | 32.5 | 61% | 0.607 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -68.5 | -27.2 | -179 | -60.8 | 176.9 | 0 | 0 | 0 | 113.9 | L66 H119 Y125 | L66-L121 HydrophobicContact CD2-CB 4.31Å; H119-L121 VanDerWaalsContact C-N 3.3Å; H119-L121 PolarHBondContact O-N 2.92Å; H119-L121 VanDerWaalsContact O-N 3.11Å; L121-Y125 WeakPolarHBondContact O-CB 3.1Å; L121-Y125 PolarHBondContact O-N 3.42Å |
| 122 | V | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.5 | -39.2 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110.5 | L66 V69 A114 H119 L120 L126 | L66-V122 HydrophobicContact CB-CG2 4.19Å; L66-V122 HydrophobicContact CD1-CG2 4.49Å; V69-V122 HydrophobicContact CG2-CG1 3.98Å; V69-V122 HydrophobicContact CG2-CG2 4.28Å; A114-V122 HydrophobicContact CB-CG1 3.98Å; H119-V122 HydrophobicContact CB-CB 4.08Å; H119-V122 HydrophobicContact CB-CG2 4.3Å; H119-V122 WeakPolarHBondContact O-CA 3.34Å; H119-V122 PolarHBondContact O-N 3.21Å; L120-V122 VanDerWaalsContact C-N 3.33Å; L120-V122 PolarHBondContact O-N 2.98Å; V122-L126 HydrophobicContact CG1-CD1 3.92Å; V122-L126 HydrophobicContact CG1-CG 4.29Å; V122-L126 VanDerWaalsContact O-CB 3.3Å; V122-L126 WeakPolarHBondContact O-CB 3.48Å; V122-L126 WeakPolarHBondContact O-CG 3.46Å; V122-L126 PolarHBondContact O-N 2.77Å |
| 123 | V | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | L111 A114 V115 H119 L120 L126 L127 L184 L187 | L111-V123 HydrophobicContact CD1-CG1 3.92Å; A114-V123 HydrophobicContact CB-CG2 3.67Å; A114-V123 WeakPolarHBondContact O-CG2 3.07Å; V115-V123 HydrophobicContact CG2-CB 4.49Å; V115-V123 HydrophobicContact CG2-CG1 3.92Å; V115-V123 HydrophobicContact CG2-CG2 3.67Å; H119-V123 PolarHBondContact O-N 3.4Å; L120-V123 PolarHBondContact O-N 3.39Å; V123-L126 PolarHBondContact O-N 3.08Å; V123-L127 HydrophobicContact CG1-CD1 3.83Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 2.83Å; V123-L184 HydrophobicContact CB-CD2 3.87Å; V123-L184 HydrophobicContact CG1-CD2 3.95Å; V123-L184 HydrophobicContact CG2-CD2 3.82Å; V123-L187 HydrophobicContact CB-CD2 4.18Å; V123-L187 HydrophobicContact CG1-CD2 3.81Å |
| 124 | D | 92.4 | Very high | 90.1 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.4 | -53 | 176.8 | -175.1 | 43.5 | 0 | 0 | 0 | 111.5 | L120 L126 L127 Q128 L187 | L120-D124 WeakPolarHBondContact O-CB 3.42Å; L120-D124 PolarHBondContact O-N 2.99Å; D124-L126 VanDerWaalsContact C-N 3.34Å; D124-L126 PolarHBondContact O-N 3.02Å; D124-L127 PolarHBondContact O-N 2.94Å; D124-Q128 WeakPolarHBondContact O-CB 3.4Å; D124-Q128 WeakPolarHBondContact O-CG 3.28Å; D124-Q128 PolarHBondContact O-N 3.13Å; D124-Q128 PolarHBondContact OD1-NE2 2.97Å; D124-Q128 PolarHBondContact OD2-NE2 3.26Å; D124-L187 HydrophobicContact CB-CD1 4.28Å; D124-L187 HydrophobicContact CB-CD2 3.89Å; D124-L187 WeakPolarHBondContact OD1-CD1 2.97Å |
| 125 | Y | 93.2 | Very high | 89.1 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 176.9 | -178 | -90.9 | 0 | 0 | 0 | 112.7 | L66 V69 K70 F73 E74 L121 Q128 V129 | L66-Y125 HydrophobicContact CD1-CD1 4.23Å; L66-Y125 HydrophobicContact CD1-CD2 4.19Å; L66-Y125 HydrophobicContact CD1-CG 3.74Å; V69-Y125 HydrophobicContact CG1-CD1 3.83Å; V69-Y125 HydrophobicContact CG1-CE1 4.01Å; K70-Y125 HydrophobicContact CD-CE2 4.31Å; K70-Y125 HydrophobicContact CG-CD2 4.29Å; K70-Y125 HydrophobicContact CG-CE1 4.21Å; K70-Y125 HydrophobicContact CG-CE2 3.68Å; F73-Y125 HydrophobicContact CB-CE1 4.36Å; F73-Y125 AromaticContact CD2-CE1 3.97Å; F73-Y125 HydrophobicContact CD2-CE1 3.97Å; F73-Y125 HydrophobicContact CG-CE1 4.32Å; E74-Y125 PolarHBondContact OE1-OH 3.12Å; L121-Y125 WeakPolarHBondContact O-CB 3.1Å; L121-Y125 PolarHBondContact O-N 3.42Å; Y125-Q128 PolarHBondContact O-N 2.83Å; Y125-V129 HydrophobicContact CD1-CG2 4.45Å; Y125-V129 HydrophobicContact CE1-CG2 4.27Å; Y125-V129 WeakPolarHBondContact O-CG2 3.31Å; Y125-V129 PolarHBondContact O-N 2.88Å; Y125-V129 VanDerWaalsContact O-N 3.12Å |
| 126 | L | 92.8 | Very high | 88 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 177 | -78.3 | 172 | 0 | 0 | 0 | 112.1 | V69 F73 L111 A114 V122 V123 D124 Q128 V129 V160 | V69-L126 HydrophobicContact CG1-CD2 4.45Å; F73-L126 HydrophobicContact CE2-CD2 3.66Å; F73-L126 HydrophobicContact CZ-CD2 3.75Å; L111-L126 HydrophobicContact CD1-CB 4.38Å; L111-L126 HydrophobicContact CD1-CD1 4.43Å; A114-L126 HydrophobicContact CB-CD1 4.26Å; V122-L126 HydrophobicContact CG1-CD1 3.92Å; V122-L126 HydrophobicContact CG1-CG 4.29Å; V122-L126 VanDerWaalsContact O-CB 3.3Å; V122-L126 WeakPolarHBondContact O-CB 3.48Å; V122-L126 WeakPolarHBondContact O-CG 3.46Å; V122-L126 PolarHBondContact O-N 2.77Å; V123-L126 PolarHBondContact O-N 3.08Å; D124-L126 VanDerWaalsContact C-N 3.34Å; D124-L126 PolarHBondContact O-N 3.02Å; L126-Q128 VanDerWaalsContact C-N 3.33Å; L126-V129 PolarHBondContact O-N 3.36Å; L126-V160 WeakPolarHBondContact O-CG2 3.46Å |
| 127 | L | 89.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -33.6 | 178.4 | -66 | 166 | 0 | 0 | 0 | 111.7 | L111 V123 D124 V129 H158 L187 L188 H191 | L111-L127 HydrophobicContact CD1-CD2 4.2Å; L111-L127 HydrophobicContact CD1-CG 4.22Å; L111-L127 HydrophobicContact CD2-CD2 4.18Å; V123-L127 HydrophobicContact CG1-CD1 3.83Å; V123-L127 VanDerWaalsContact O-CG 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 2.83Å; D124-L127 PolarHBondContact O-N 2.94Å; L127-V129 VanDerWaalsContact C-N 3.31Å; L127-V129 PolarHBondContact O-N 3.37Å; L127-H158 PolarHBondContact O-ND1 2.91Å; L127-L187 HydrophobicContact CD1-CD2 4.43Å; L127-L187 HydrophobicContact CD1-CG 4.04Å; L127-L188 HydrophobicContact CD1-CD2 4.05Å; L127-L188 HydrophobicContact CD2-CD2 4.35Å; L127-H191 HydrophobicContact CB-CB 4.06Å; L127-H191 HydrophobicContact CD1-CB 4.08Å; L127-H191 HydrophobicContact CD2-CB 4.15Å; L127-H191 HydrophobicContact CG-CB 4.32Å |
| 128 | Q | 89.1 | Confident | 84.4 | Confident | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75.9 | -7 | 174.9 | -69.1 | -179.7 | 28.1 | 0 | 0 | 114.7 | D124 Y125 L126 V130 | D124-Q128 WeakPolarHBondContact O-CB 3.4Å; D124-Q128 WeakPolarHBondContact O-CG 3.28Å; D124-Q128 PolarHBondContact O-N 3.13Å; D124-Q128 PolarHBondContact OD1-NE2 2.97Å; D124-Q128 PolarHBondContact OD2-NE2 3.26Å; Y125-Q128 PolarHBondContact O-N 2.83Å; L126-Q128 VanDerWaalsContact C-N 3.33Å; Q128-V130 PolarHBondContact O-N 3.45Å |
| 129 | V | 87.7 | Confident | 82.1 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | trans | -60.2 | 127.8 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | F73 Y125 L126 L127 H158 P159 | F73-V129 HydrophobicContact CD1-CG1 3.92Å; F73-V129 HydrophobicContact CD1-CG2 4Å; F73-V129 HydrophobicContact CE1-CB 4.38Å; F73-V129 HydrophobicContact CE1-CG1 3.8Å; F73-V129 HydrophobicContact CE1-CG2 3.79Å; F73-V129 HydrophobicContact CE2-CG2 4.41Å; F73-V129 HydrophobicContact CG-CG2 4.4Å; F73-V129 HydrophobicContact CZ-CG2 4.01Å; Y125-V129 HydrophobicContact CD1-CG2 4.45Å; Y125-V129 HydrophobicContact CE1-CG2 4.27Å; Y125-V129 WeakPolarHBondContact O-CG2 3.31Å; Y125-V129 PolarHBondContact O-N 2.88Å; Y125-V129 VanDerWaalsContact O-N 3.12Å; L126-V129 PolarHBondContact O-N 3.36Å; L127-V129 VanDerWaalsContact C-N 3.31Å; L127-V129 PolarHBondContact O-N 3.37Å; V129-H158 WeakPolarHBondContact O-CA 3.43Å; V129-H158 PolarHBondContact O-ND1 3.34Å; V129-P159 HydrophobicContact CB-CG 4.41Å; V129-P159 HydrophobicContact CG1-CG 3.8Å; V129-P159 WeakPolarHBondContact O-CD 3.38Å | ||
| 130 | V | 85.7 | Confident | 79.7 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | trans | -119.6 | 131.5 | 174 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | Q128 P156 F157 | Q128-V130 PolarHBondContact O-N 3.45Å; V130-P156 HydrophobicContact CG1-CB 3.38Å; V130-F157 WeakPolarHBondContact CA-O 3.37Å | ||
| 131 | V | 85.9 | Confident | 77 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 147.8 | 167.8 | -67.3 | 0 | 0 | 0 | 0 | 110 | Y94 M96 V133 F157 P159 | Y94-V131 HydrophobicContact CD1-CG2 4.26Å; Y94-V131 HydrophobicContact CD2-CB 4.33Å; Y94-V131 HydrophobicContact CD2-CG1 4.32Å; Y94-V131 HydrophobicContact CD2-CG2 3.8Å; Y94-V131 HydrophobicContact CE2-CG2 4.39Å; Y94-V131 HydrophobicContact CG-CB 4.44Å; Y94-V131 HydrophobicContact CG-CG2 3.72Å; M96-V131 HydrophobicContact CG-CG1 4.21Å; M96-V131 HydrophobicContact SD-CG1 3.98Å; V131-V133 PolarHBondContact O-N 3.35Å; V131-F157 HydrophobicContact CG2-CD1 4.08Å; V131-F157 WeakPolarHBondContact CG2-O 3.46Å; V131-F157 PolarHBondContact N-O 2.9Å; V131-F157 PolarHBondContact O-N 2.91Å; V131-P159 HydrophobicContact CG1-CB 4.44Å; V131-P159 HydrophobicContact CG1-CG 4.02Å; V131-P159 HydrophobicContact CG2-CB 3.95Å; V131-P159 HydrophobicContact CG2-CG 4.13Å |
| 132 | M | 84.3 | Confident | 74 | Confident | 112 Ų | 112 | 70.4 Ų | 70.4 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.5 | 173.7 | -59.3 | -55.3 | -66.7 | 0 | 0 | 109.2 | C154 | M132-C154 HydrophobicContact CB-CB 4.47Å; M132-C154 HydrophobicContact CE-CB 3.9Å; M132-C154 WeakPolarHBondContact CE-O 3.49Å |
| 133 | V | 83.2 | Confident | 71.1 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.03 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 151.8 | 178.6 | -77.9 | 0 | 0 | 0 | 0 | 112.8 | F92 S93 Y94 V131 K155 F157 | F92-V133 HydrophobicContact CB-CB 3.96Å; F92-V133 HydrophobicContact CB-CG1 4.02Å; F92-V133 HydrophobicContact CB-CG2 4.31Å; F92-V133 HydrophobicContact CD1-CB 4.05Å; F92-V133 HydrophobicContact CD1-CG2 3.81Å; F92-V133 HydrophobicContact CE1-CG2 4.49Å; F92-V133 HydrophobicContact CG-CB 4.32Å; F92-V133 HydrophobicContact CG-CG2 4.19Å; S93-V133 WeakPolarHBondContact O-CA 3.44Å; Y94-V133 HydrophobicContact CD1-CG1 4Å; Y94-V133 HydrophobicContact CG-CG1 4.42Å; V131-V133 PolarHBondContact O-N 3.35Å; V133-K155 HydrophobicContact CG2-CB 4.28Å; V133-K155 VanDerWaalsContact CG2-O 3.25Å; V133-K155 WeakPolarHBondContact CG2-O 3.38Å; V133-K155 PolarHBondContact N-O 3.11Å; V133-F157 HydrophobicContact CB-CB 4.31Å; V133-F157 HydrophobicContact CG1-CB 3.6Å; V133-F157 HydrophobicContact CG1-CD1 3.81Å; V133-F157 HydrophobicContact CG1-CG 3.87Å; V133-F157 HydrophobicContact CG2-CB 3.78Å |
| 134 | R | 80.2 | Confident | 68.3 | Low | 169 Ų | 169 | 85 Ų | 85 | 64% | 0.638 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136 | 168.4 | -63.6 | 178.1 | 177.4 | -174 | -3.2 | 109.6 | F92 S93 | F92-R134 WeakPolarHBondContact CA-O 3.36Å; S93-R134 PolarHBondContact N-O 3.18Å; S93-R134 PolarHBondContact O-N 3.06Å; S93-R134 PolarHBondContact OG-O 3.44Å |
| 135 | P | 74 | Confident | 65.6 | Low | 57 Ų | 57 | 86.5 Ų | 86.5 | 37% | 0.37 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 142.2 | 173.9 | 27.4 | -34.1 | 0 | 0 | 0 | 110.6 | A91 F92 T137 F152 | A91-P135 CarbonylContact O-C 3.44Å; A91-P135 WeakPolarHBondContact O-CA 3.19Å; F92-P135 HydrophobicContact CD1-CB 4.43Å; F92-P135 HydrophobicContact CE1-CB 4.19Å; P135-T137 PolarHBondContact O-N 3.43Å; P135-F152 HydrophobicContact CG-CD1 4.24Å |
| 136 | V | 72.4 | Confident | 62.8 | Low | 36 Ų | 36 | 92.4 Ų | 92.4 | 22% | 0.218 | 49% | 0.491 | C | S | . | . | trans | -91.8 | 98.4 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | F86 A91 | F86-V136 HydrophobicContact CD1-CG2 3.96Å; F86-V136 HydrophobicContact CE1-CG1 4.41Å; F86-V136 HydrophobicContact CE1-CG2 3.89Å; A91-V136 PolarHBondContact O-N 3.27Å | ||
| 137 | T | 58.6 | Low | 59.8 | Low | 101 Ų | 101 | 97.4 Ų | 97.4 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | trans | -68.1 | 140 | 164.2 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | P135 R139 | P135-T137 PolarHBondContact O-N 3.43Å; T137-R139 PolarHBondContact O-N 3.45Å | ||
| 138 | V | 48.6 | Very low | 57.2 | Low | 63 Ų | 63 | 102.2 Ų | 102.2 | 38% | 0.382 | 57% | 0.567 | S | S | . | * | trans | -90.5 | 97.7 | -159.6 | -177.2 | 0 | 0 | 0 | 0 | 112 | L1648 | V138-L1648 HydrophobicContact CG2-CD2 4.45Š| ||
| 139 | R | 42.5 | Very low | 54.8 | Low | 199 Ų | 199 | 103.7 Ų | 103.7 | 75% | 0.751 | 59% | 0.585 | S | S | * | * | trans | 68.1 | 160.5 | 161 | -64.2 | -171.3 | 156.1 | 136.4 | 3.4 | 117.2 | T137 | T137-R139 PolarHBondContact O-N 3.45Š| ||
| 140 | E | 42.7 | Very low | 52.3 | Low | 146 Ų | 146 | 107.1 Ų | 107.1 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | cis | -164.7 | 179.5 | -22.9 | -104.7 | 161.1 | -158.5 | 0 | 0 | 105.8 | ||||
| 141 | V | 34.6 | Very low | 50.1 | Low | 137 Ų | 137 | 112.5 Ų | 112.5 | 83% | 0.83 | 64% | 0.635 | S | S | * | * | trans | 82 | 149.2 | 169 | -166.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 142 | D | 30.6 | Very low | 48.4 | Very low | 149 Ų | 149 | 118.5 Ų | 118.5 | 80% | 0.797 | 66% | 0.66 | S | S | * | * | trans | -77.4 | 169.8 | -172.9 | -54.2 | -85.5 | 0 | 0 | 0 | 115.7 | ||||
| 143 | D | 32.9 | Very low | 46.8 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | trans | 58.9 | 99.2 | 171.3 | -77.6 | -22.7 | 0 | 0 | 0 | 118.8 | ||||
| 144 | V | 33.1 | Very low | 45.6 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 90% | 0.897 | 69% | 0.687 | S | S | * | * | -176.2 | 150.3 | 113.4 | 147.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 145 | A | 35 | Very low | 45 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 65% | 0.653 | 68% | 0.68 | S | S | * | * | trans | -93.3 | 169 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 146 | D | 34.6 | Very low | 45.2 | Very low | 165 Ų | 165 | 122.3 Ų | 122.3 | 88% | 0.882 | 69% | 0.691 | S | S | * | * | trans | 66.8 | 83.4 | 166.1 | -62.9 | -19.5 | 0 | 0 | 0 | 119.1 | ||||
| 147 | A | 31.1 | Very low | 45.7 | Very low | 106 Ų | 106 | 123 Ų | 123 | 88% | 0.876 | 69% | 0.691 | S | S | * | * | trans | -139.6 | 152 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 148 | S | 35.3 | Very low | 47 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 150 | -166.8 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | S150 | S148-S150 PolarHBondContact O-N 3.12Š|
| 149 | P | 37.7 | Very low | 48.7 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 86% | 0.864 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 116.3 | -179.4 | 31.5 | -33.7 | 0 | 0 | 0 | 112.3 | ||
| 150 | S | 35.6 | Very low | 50.9 | Low | 89 Ų | 89 | 111 Ų | 111 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 163.1 | 164.7 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | S148 F152 | S148-S150 PolarHBondContact O-N 3.12Å; S150-F152 PolarHBondContact O-N 3.28Å; S150-F152 VanDerWaalsContact O-N 3.12Å |
| 151 | L | 38.7 | Very low | 53.1 | Low | 183 Ų | 183 | 107.2 Ų | 107.2 | 96% | 0.958 | 61% | 0.613 | S | S | * | * | trans | -73.5 | 100.5 | -169.4 | -72.8 | 139.9 | 0 | 0 | 0 | 112.6 | ||||
| 152 | F | 50.5 | Low | 55.6 | Low | 144 Ų | 144 | 101.3 Ų | 101.3 | 63% | 0.632 | 58% | 0.577 | S | S | * | * | trans | -93.8 | 116.3 | 163.2 | -73.8 | -82.5 | 0 | 0 | 0 | 110.7 | P135 S150 C154 | P135-F152 HydrophobicContact CG-CD1 4.24Å; S150-F152 PolarHBondContact O-N 3.28Å; S150-F152 VanDerWaalsContact O-N 3.12Å; F152-C154 PolarHBondContact O-N 3.08Å; F152-C154 VanDerWaalsContact O-N 3.12Å | ||
| 153 | E | 51.7 | Low | 58.4 | Low | 157 Ų | 157 | 97.1 Ų | 97.1 | 73% | 0.734 | 56% | 0.555 | S | S | * | * | trans | -71 | 103.1 | -177.5 | -167 | 177.2 | -113.2 | 0 | 0 | 110.6 | K155 | E153-K155 PolarHBondContact O-N 3.18Š| ||
| 154 | C | 57.3 | Low | 61.1 | Low | 59 Ų | 59 | 92.2 Ų | 92.2 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 120.5 | 177.3 | -64 | 0 | 0 | 0 | 0 | 109.2 | M132 F152 | M132-C154 HydrophobicContact CB-CB 4.47Å; M132-C154 HydrophobicContact CE-CB 3.9Å; M132-C154 WeakPolarHBondContact CE-O 3.49Å; F152-C154 PolarHBondContact O-N 3.08Å; F152-C154 VanDerWaalsContact O-N 3.12Å |
| 155 | K | 68.1 | Low | 63.8 | Low | 115 Ų | 115 | 89 Ų | 89 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 148 | -178.6 | -68.2 | -173.7 | 178.4 | -178 | 0 | 111.6 | V133 E153 | V133-K155 HydrophobicContact CG2-CB 4.28Å; V133-K155 VanDerWaalsContact CG2-O 3.25Å; V133-K155 WeakPolarHBondContact CG2-O 3.38Å; V133-K155 PolarHBondContact N-O 3.11Å; E153-K155 PolarHBondContact O-N 3.18Å |
| 156 | P | 77.9 | Confident | 66.4 | Low | 92 Ų | 92 | 85.7 Ų | 85.7 | 60% | 0.597 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 137.1 | 167.3 | 29.7 | -33.8 | 0 | 0 | 0 | 110.1 | V130 | V130-P156 HydrophobicContact CG1-CB 3.38Å |
| 157 | F | 81.7 | Confident | 68.9 | Low | 51 Ų | 51 | 81.7 Ų | 81.7 | 22% | 0.224 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.3 | 177.3 | 174.7 | -104.4 | 0 | 0 | 0 | 110.2 | D87 Y94 V130 V131 V133 | D87-F157 HydrophobicContact CB-CE1 4.05Å; D87-F157 HydrophobicContact CB-CE2 4.06Å; D87-F157 HydrophobicContact CB-CZ 3.59Å; Y94-F157 HydrophobicContact CD1-CD1 4.4Å; Y94-F157 HydrophobicContact CD1-CE1 4.49Å; Y94-F157 HydrophobicContact CE1-CD1 4.36Å; Y94-F157 HydrophobicContact CE1-CE1 4.04Å; V130-F157 WeakPolarHBondContact CA-O 3.37Å; V131-F157 HydrophobicContact CG2-CD1 4.08Å; V131-F157 WeakPolarHBondContact CG2-O 3.46Å; V131-F157 PolarHBondContact N-O 2.9Å; V131-F157 PolarHBondContact O-N 2.91Å; V133-F157 HydrophobicContact CB-CB 4.31Å; V133-F157 HydrophobicContact CG1-CB 3.6Å; V133-F157 HydrophobicContact CG1-CD1 3.81Å; V133-F157 HydrophobicContact CG1-CG 3.87Å; V133-F157 HydrophobicContact CG2-CB 3.78Å |
| 158 | H | 86 | Confident | 71.3 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 44% | 0.44 | 44% | 0.437 | S | S | . | . | trans | -87.1 | 114.3 | 176.2 | -65.5 | -95.7 | 0 | 0 | 0 | 109 | L127 V129 V160 | L127-H158 PolarHBondContact O-ND1 2.91Å; V129-H158 WeakPolarHBondContact O-CA 3.43Å; V129-H158 PolarHBondContact O-ND1 3.34Å; H158-V160 VanDerWaalsContact C-N 3.27Å; H158-V160 PolarHBondContact O-N 2.97Å | ||
| 159 | P | 85.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | trans | -77.9 | -13.2 | -174 | 33.6 | -34.5 | 0 | 0 | 0 | 112.7 | Y94 N101 V129 V131 | Y94-P159 HydrophobicContact CD2-CB 4.48Å; Y94-P159 HydrophobicContact CE2-CB 3.74Å; N101-P159 PolarHBondContact ND2-O 2.65Å; V129-P159 HydrophobicContact CB-CG 4.41Å; V129-P159 HydrophobicContact CG1-CG 3.8Å; V129-P159 WeakPolarHBondContact O-CD 3.38Å; V131-P159 HydrophobicContact CG1-CB 4.44Å; V131-P159 HydrophobicContact CG1-CG 4.02Å; V131-P159 HydrophobicContact CG2-CB 3.95Å; V131-P159 HydrophobicContact CG2-CG 4.13Å | ||
| 160 | V | 88.4 | Confident | 76.3 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | trans | -85.6 | 116.4 | -173.8 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | V100 L111 L126 H158 S162 | V100-V160 HydrophobicContact CG1-CG2 3.66Å; L111-V160 HydrophobicContact CB-CG1 4.18Å; L111-V160 HydrophobicContact CD2-CG1 3.86Å; L111-V160 HydrophobicContact CG-CG1 4.41Å; L126-V160 WeakPolarHBondContact O-CG2 3.46Å; H158-V160 VanDerWaalsContact C-N 3.27Å; H158-V160 PolarHBondContact O-N 2.97Å; V160-S162 PolarHBondContact O-N 3.24Å | ||
| 161 | R | 87.6 | Confident | 79 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 25% | 0.249 | 34% | 0.335 | C | S | . | . | trans | -91.8 | 94.4 | -176.2 | -60 | -176.4 | -168.8 | -162.9 | 3.2 | 110.7 | F86 D87 D88 N101 N163 L164 | F86-R161 PolarHBondContact O-NH2 3.11Å; D87-R161 PolarHBondContact O-NH2 3.46Å; D88-R161 IonicContact OD1-CZ 3.46Å; D88-R161 IonicContact OD1-NE 2.85Å; D88-R161 IonicContact OD1-NH1 2.91Å; D88-R161 PolarHBondContact OD1-NH1 3.1Å; D88-R161 WeakPolarHBondContact OD2-CD 3.27Å; D88-R161 IonicContact OD2-CZ 2.75Å; D88-R161 IonicContact OD2-NE 3.35Å; D88-R161 PolarHBondContact OD2-NE 2.93Å; D88-R161 IonicContact OD2-NH1 3.95Å; N101-R161 PolarHBondContact OD1-N 2.78Å; R161-N163 PolarHBondContact O-N 3.24Å; R161-L164 HydrophobicContact CB-CD1 3.78Å; R161-L164 HydrophobicContact CB-CD2 4.5Å; R161-L164 HydrophobicContact CB-CG 3.75Å | ||
| 162 | S | 87.2 | Confident | 81.5 | Confident | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.3 | -179.9 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | V160 | V160-S162 PolarHBondContact O-N 3.24Š|
| 163 | N | 90.5 | Very high | 83.5 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 5.7 | -170.6 | -68.6 | -32.6 | 0 | 0 | 0 | 115.2 | R161 A193 D194 L197 | R161-N163 PolarHBondContact O-N 3.24Å; N163-A193 WeakPolarHBondContact OD1-CA 3.33Å; N163-D194 PolarHBondContact OD1-N 2.85Å; N163-L197 HydrophobicContact CB-CD1 3.87Å |
| 164 | L | 89.4 | Confident | 85.5 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | trans | -63.8 | 162.1 | 172.5 | -69.3 | 174.6 | 0 | 0 | 0 | 112 | N101 T109 M112 R161 T171 | N101-L164 HydrophobicContact CB-CD1 3.81Å; T109-L164 HydrophobicContact CG2-CD1 3.95Å; M112-L164 HydrophobicContact CE-CB 4.06Å; M112-L164 WeakPolarHBondContact CE-O 3.49Å; R161-L164 HydrophobicContact CB-CD1 3.78Å; R161-L164 HydrophobicContact CB-CD2 4.5Å; R161-L164 HydrophobicContact CB-CG 3.75Å; L164-T171 VanDerWaalsContact O-CA 3.27Å; L164-T171 WeakPolarHBondContact O-CA 3.4Å; L164-T171 VanDerWaalsContact O-CB 3.31Å; L164-T171 WeakPolarHBondContact O-CB 3.43Å; L164-T171 WeakPolarHBondContact O-CG2 3.21Å | ||
| 165 | R | 89.7 | Confident | 87.2 | Confident | 80 Ų | 80 | 40.4 Ų | 40.4 | 30% | 0.302 | 21% | 0.208 | S | C | . | . | trans | -120 | 143.2 | 178.5 | -66.5 | 178.3 | -170.8 | -102.9 | 5.3 | 112.6 | G169 F170 T171 P198 | R165-G169 WeakPolarHBondContact CD-O 3.38Å; R165-G169 PolarHBondContact NH1-O 3.44Å; R165-F170 CarbonylContact C-O 3.53Å; R165-F170 VanDerWaalsContact CA-O 3.22Å; R165-F170 WeakPolarHBondContact CA-O 3.31Å; R165-T171 HydrophobicContact CG-CG2 3.79Å; R165-P198 VanDerWaalsContact CZ-O 3.27Å; R165-P198 PolarHBondContact NH1-O 3.4Å; R165-P198 PolarHBondContact NH2-O 3.04Å | ||
| 166 | D | 90 | Very high | 88.3 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | trans | -73.3 | 176.5 | 168.9 | 82.2 | -22.9 | 0 | 0 | 0 | 112 | M108 M112 K168 G169 F170 M175 | M108-D166 HydrophobicContact CG-CB 4.11Å; M112-D166 HydrophobicContact SD-CB 4.21Å; D166-K168 PolarHBondContact O-N 3.06Å; D166-K168 VanDerWaalsContact O-N 3.17Å; D166-K168 PolarHBondContact OD1-N 3.11Å; D166-K168 VanDerWaalsContact OD1-N 3.14Å; D166-K168 WeakPolarHBondContact OD2-CD 3.21Å; D166-K168 IonicContact OD2-NZ 2.87Å; D166-G169 PolarHBondContact O-N 3.08Å; D166-G169 PolarHBondContact OD1-N 3.34Å; D166-F170 PolarHBondContact N-O 2.87Å; D166-F170 PolarHBondContact OD1-N 3.15Å; D166-M175 HydrophobicContact CB-CE 3.82Å | ||
| 167 | A | 85.8 | Confident | 89 | Confident | 81 Ų | 81 | 30.6 Ų | 30.6 | 67% | 0.669 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -67.1 | -14.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E106 | E106-A167 WeakPolarHBondContact O-CB 3.49Å; E106-A167 PolarHBondContact O-N 2.94Å |
| 168 | K | 83 | Confident | 89.4 | Confident | 86 Ų | 86 | 31.6 Ų | 31.6 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -87.1 | -34.7 | 176.4 | -59.3 | 160.6 | -163.1 | 132.4 | 0 | 110.3 | E106 D166 F170 V203 | E106-K168 WeakPolarHBondContact OE2-CE 3.25Å; E106-K168 IonicContact OE2-NZ 3.18Å; E106-K168 PolarHBondContact OE2-NZ 3.13Å; D166-K168 PolarHBondContact O-N 3.06Å; D166-K168 VanDerWaalsContact O-N 3.17Å; D166-K168 PolarHBondContact OD1-N 3.11Å; D166-K168 VanDerWaalsContact OD1-N 3.14Å; D166-K168 WeakPolarHBondContact OD2-CD 3.21Å; D166-K168 IonicContact OD2-NZ 2.87Å; K168-F170 HydrophobicContact CB-CD2 3.8Å; K168-F170 HydrophobicContact CB-CE2 3.89Å; K168-V203 WeakPolarHBondContact O-CG2 3.5Å |
| 169 | G | 86.9 | Confident | 89.6 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 125.4 | 7.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R165 D166 | R165-G169 WeakPolarHBondContact CD-O 3.38Å; R165-G169 PolarHBondContact NH1-O 3.44Å; D166-G169 PolarHBondContact O-N 3.08Å; D166-G169 PolarHBondContact OD1-N 3.34Å |
| 170 | F | 89.7 | Confident | 89.8 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | trans | -86.7 | 145.4 | -178.3 | -61 | -76.9 | 0 | 0 | 0 | 112.1 | R165 D166 K168 H174 M175 M178 V203 F207 L223 | R165-F170 CarbonylContact C-O 3.53Å; R165-F170 VanDerWaalsContact CA-O 3.22Å; R165-F170 WeakPolarHBondContact CA-O 3.31Å; D166-F170 PolarHBondContact N-O 2.87Å; D166-F170 PolarHBondContact OD1-N 3.15Å; K168-F170 HydrophobicContact CB-CD2 3.8Å; K168-F170 HydrophobicContact CB-CE2 3.89Å; F170-H174 HydrophobicContact CB-CB 4.17Å; F170-H174 HydrophobicContact CD1-CB 3.98Å; F170-M175 HydrophobicContact CB-CE 4.21Å; F170-M175 HydrophobicContact CB-CG 4.26Å; F170-M178 HydrophobicContact CD1-SD 3.92Å; F170-M178 HydrophobicContact CE1-SD 3.39Å; F170-M178 WeakPolarHBondContact CE1-SD 3.45Å; F170-M178 HydrophobicContact CE2-SD 4.48Å; F170-M178 HydrophobicContact CZ-CE 4.4Å; F170-M178 HydrophobicContact CZ-SD 3.73Å; F170-V203 HydrophobicContact CD1-CG1 4.19Å; F170-V203 HydrophobicContact CD1-CG2 4.39Å; F170-V203 HydrophobicContact CD2-CG2 4.38Å; F170-V203 HydrophobicContact CE1-CB 4.49Å; F170-V203 HydrophobicContact CE1-CG1 3.42Å; F170-V203 VanDerWaalsContact CE1-CG1 3.42Å; F170-V203 HydrophobicContact CE1-CG2 4.18Å; F170-V203 HydrophobicContact CE2-CG1 4.47Å; F170-V203 HydrophobicContact CE2-CG2 4.14Å; F170-V203 HydrophobicContact CG-CG2 4.5Å; F170-V203 HydrophobicContact CZ-CB 4.46Å; F170-V203 HydrophobicContact CZ-CG1 3.59Å; F170-V203 HydrophobicContact CZ-CG2 4.04Å; F170-F207 AromaticContact CE1-CE2 3.8Å; F170-F207 HydrophobicContact CE1-CE2 3.8Å; F170-F207 HydrophobicContact CE1-CZ 4.19Å; F170-F207 AromaticContact CZ-CE2 3.71Å; F170-F207 HydrophobicContact CZ-CE2 3.71Å; F170-F207 AromaticContact CZ-CZ 3.93Å; F170-F207 HydrophobicContact CZ-CZ 3.93Å; F170-L223 HydrophobicContact CD1-CD1 4.25Å; F170-L223 HydrophobicContact CE1-CD1 4.16Å; F170-L223 HydrophobicContact CE1-CD2 4.4Å | ||
| 171 | T | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -96.8 | 170.6 | 167.5 | 74.3 | 0 | 0 | 0 | 0 | 111 | L164 R165 L173 H174 M175 L197 | L164-T171 VanDerWaalsContact O-CA 3.27Å; L164-T171 WeakPolarHBondContact O-CA 3.4Å; L164-T171 VanDerWaalsContact O-CB 3.31Å; L164-T171 WeakPolarHBondContact O-CB 3.43Å; L164-T171 WeakPolarHBondContact O-CG2 3.21Å; R165-T171 HydrophobicContact CG-CG2 3.79Å; T171-L173 PolarHBondContact O-N 2.79Å; T171-L173 PolarHBondContact OG1-N 3.23Å; T171-H174 PolarHBondContact N-ND1 3.04Å; T171-H174 WeakPolarHBondContact O-CB 3.34Å; T171-H174 PolarHBondContact O-N 2.7Å; T171-H174 PolarHBondContact OG1-ND1 3.26Å; T171-M175 PolarHBondContact O-N 3.16Å; T171-L197 HydrophobicContact CG2-CD1 4Å | ||
| 172 | A | 92.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.8 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L111 M112 V115 H174 M175 A176 L188 | L111-A172 HydrophobicContact CD2-CB 4.14Å; L111-A172 HydrophobicContact CG-CB 4.34Å; M112-A172 HydrophobicContact CG-CB 4.43Å; V115-A172 WeakPolarHBondContact CG1-O 3.37Å; V115-A172 HydrophobicContact CG2-CB 4.45Å; A172-H174 PolarHBondContact O-N 2.76Å; A172-M175 PolarHBondContact O-N 2.86Å; A172-A176 PolarHBondContact O-N 2.88Å; A172-L188 HydrophobicContact CB-CD1 4.26Å; A172-L188 HydrophobicContact CB-CD2 4.15Å |
| 173 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.1 | -176.8 | 63.5 | 0 | 0 | 0 | 112.3 | T171 A176 V177 I185 L188 L189 A193 I195 A220 | T171-L173 PolarHBondContact O-N 2.79Å; T171-L173 PolarHBondContact OG1-N 3.23Å; L173-A176 PolarHBondContact O-N 3.45Å; L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.36Å; L173-I185 HydrophobicContact CD1-CG2 4.07Å; L173-L188 HydrophobicContact CD1-CB 4.29Å; L173-L189 HydrophobicContact CD1-CD2 4.2Å; L173-L189 HydrophobicContact CD1-CG 4.07Å; L173-L189 HydrophobicContact CD2-CD2 3.77Å; L173-A193 HydrophobicContact CB-CB 4.36Å; L173-A193 HydrophobicContact CD2-CB 4.4Å; L173-I195 HydrophobicContact CD2-CB 4.36Å; L173-I195 HydrophobicContact CD2-CG1 4.44Å; L173-A220 HydrophobicContact CD2-CB 4.41Å |
| 174 | H | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 175.8 | -65.6 | 100.7 | 0 | 0 | 0 | 112.1 | F170 T171 A172 V177 M178 L197 L199 G219 A220 L223 | F170-H174 HydrophobicContact CB-CB 4.17Å; F170-H174 HydrophobicContact CD1-CB 3.98Å; T171-H174 PolarHBondContact N-ND1 3.04Å; T171-H174 WeakPolarHBondContact O-CB 3.34Å; T171-H174 PolarHBondContact O-N 2.7Å; T171-H174 PolarHBondContact OG1-ND1 3.26Å; A172-H174 PolarHBondContact O-N 2.76Å; H174-V177 PolarHBondContact O-N 3.43Å; H174-M178 WeakPolarHBondContact O-CG 3.4Å; H174-M178 PolarHBondContact O-N 2.95Å; H174-L197 PolarHBondContact NE2-O 2.73Å; H174-L199 WeakPolarHBondContact CD2-CD2 3.39Å; H174-L199 WeakPolarHBondContact NE2-CD2 3.33Å; H174-G219 VanDerWaalsContact CD2-C 3.42Å; H174-G219 VanDerWaalsContact NE2-CA 3.33Å; H174-G219 WeakPolarHBondContact NE2-CA 3.46Å; H174-A220 PolarHBondContact NE2-N 2.97Å; H174-L223 HydrophobicContact CB-CD1 3.76Å |
| 175 | M | 91.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.5 | -67 | 171.5 | 174.6 | 0 | 0 | 111.2 | M108 M112 V115 D166 F170 T171 A172 V177 M178 R179 | M108-M175 HydrophobicContact CG-CE 4.33Å; M108-M175 HydrophobicContact SD-CE 4.2Å; M112-M175 HydrophobicContact CB-CE 4.17Å; M112-M175 HydrophobicContact CB-SD 3.68Å; M112-M175 HydrophobicContact CG-CE 4.15Å; M112-M175 HydrophobicContact CG-SD 3.82Å; M112-M175 HydrophobicContact SD-CE 4.21Å; V115-M175 HydrophobicContact CG1-CB 4.18Å; D166-M175 HydrophobicContact CB-CE 3.82Å; F170-M175 HydrophobicContact CB-CE 4.21Å; F170-M175 HydrophobicContact CB-CG 4.26Å; T171-M175 PolarHBondContact O-N 3.16Å; A172-M175 PolarHBondContact O-N 2.86Å; M175-V177 VanDerWaalsContact C-N 3.3Å; M175-V177 PolarHBondContact O-N 3.02Å; M175-M178 PolarHBondContact O-N 3.42Å; M175-M178 VanDerWaalsContact O-N 3.12Å; M175-R179 WeakPolarHBondContact O-CG 3.2Å; M175-R179 PolarHBondContact O-N 3.42Å |
| 176 | A | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V115 A172 L173 R179 R180 R181 L184 I185 L188 | V115-A176 HydrophobicContact CG1-CB 3.75Å; A172-A176 PolarHBondContact O-N 2.88Å; L173-A176 PolarHBondContact O-N 3.45Å; A176-R179 CarbonylContact O-C 3.53Å; A176-R179 PolarHBondContact O-N 3.26Å; A176-R180 PolarHBondContact O-N 3.3Å; A176-R180 VanDerWaalsContact O-N 3.11Å; A176-R181 PolarHBondContact O-N 3.38Å; A176-L184 HydrophobicContact CB-CB 4.04Å; A176-I185 HydrophobicContact CB-CD1 4.47Å; A176-I185 HydrophobicContact CB-CG1 3.57Å; A176-L188 HydrophobicContact CB-CD1 3.91Å |
| 177 | V | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 171.6 | 166.3 | 0 | 0 | 0 | 0 | 111.7 | L173 H174 M175 R179 R180 I185 A220 L223 A224 L227 L232 L236 | L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.36Å; H174-V177 PolarHBondContact O-N 3.43Å; M175-V177 VanDerWaalsContact C-N 3.3Å; M175-V177 PolarHBondContact O-N 3.02Å; V177-R179 VanDerWaalsContact C-N 3.28Å; V177-R179 PolarHBondContact O-N 3.3Å; V177-R180 PolarHBondContact O-N 3.2Å; V177-I185 HydrophobicContact CB-CD1 4.42Å; V177-I185 HydrophobicContact CG2-CD1 3.88Å; V177-I185 HydrophobicContact CG2-CG1 4.23Å; V177-A220 HydrophobicContact CG2-CB 4.2Å; V177-L223 HydrophobicContact CG1-CB 3.68Å; V177-A224 HydrophobicContact CG1-CB 4.3Å; V177-L227 HydrophobicContact CG1-CD1 4.17Å; V177-L227 WeakPolarHBondContact O-CD1 3.27Å; V177-L232 HydrophobicContact CB-CD2 4.34Å; V177-L232 HydrophobicContact CG1-CD2 3.92Å; V177-L232 HydrophobicContact CG2-CD2 4.33Å; V177-L236 HydrophobicContact CG2-CD1 4.43Å |
| 178 | M | 90.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 36% | 0.355 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.1 | -34.5 | 177.4 | -74.6 | -176.5 | 64.8 | 0 | 0 | 113.5 | F170 H174 M175 R180 F207 L223 | F170-M178 HydrophobicContact CD1-SD 3.92Å; F170-M178 HydrophobicContact CE1-SD 3.39Å; F170-M178 WeakPolarHBondContact CE1-SD 3.45Å; F170-M178 HydrophobicContact CE2-SD 4.48Å; F170-M178 HydrophobicContact CZ-CE 4.4Å; F170-M178 HydrophobicContact CZ-SD 3.73Å; H174-M178 WeakPolarHBondContact O-CG 3.4Å; H174-M178 PolarHBondContact O-N 2.95Å; M175-M178 PolarHBondContact O-N 3.42Å; M175-M178 VanDerWaalsContact O-N 3.12Å; M178-R180 VanDerWaalsContact C-N 3.29Å; M178-F207 HydrophobicContact CE-CE1 4.49Å; M178-F207 HydrophobicContact CE-CZ 3.87Å; M178-F207 HydrophobicContact SD-CZ 4.1Å; M178-L223 HydrophobicContact CG-CD1 3.97Å; M178-L223 HydrophobicContact SD-CD1 4.3Å |
| 179 | R | 89.5 | Confident | 90.4 | Very high | 137 Ų | 137 | 36.7 Ų | 36.7 | 52% | 0.517 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.1 | 175.5 | -59.8 | -58 | -175.5 | 170.3 | 6.1 | 113.6 | D116 M175 A176 V177 R181 | D116-R179 IonicContact OD1-CZ 2.63Å; D116-R179 VanDerWaalsContact OD1-CZ 3.23Å; D116-R179 IonicContact OD1-NE 2.67Å; D116-R179 PolarHBondContact OD1-NE 2.81Å; D116-R179 IonicContact OD1-NH2 3.45Å; D116-R179 PolarHBondContact OD1-NH2 3.26Å; D116-R179 IonicContact OD2-CZ 2.63Å; D116-R179 IonicContact OD2-NE 3.03Å; D116-R179 IonicContact OD2-NH2 2.91Å; D116-R179 PolarHBondContact OD2-NH2 3Å; M175-R179 WeakPolarHBondContact O-CG 3.2Å; M175-R179 PolarHBondContact O-N 3.42Å; A176-R179 CarbonylContact O-C 3.53Å; A176-R179 PolarHBondContact O-N 3.26Å; V177-R179 VanDerWaalsContact C-N 3.28Å; V177-R179 PolarHBondContact O-N 3.3Å; R179-R181 HydrophobicContact CB-CG 3.86Å; R179-R181 PolarHBondContact O-N 3.39Å |
| 180 | R | 90.7 | Very high | 90.4 | Very high | 117 Ų | 117 | 41.2 Ų | 41.2 | 44% | 0.442 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 35.9 | -176.7 | -54.5 | -176.3 | -169.8 | -120 | 2.9 | 113.6 | A176 V177 M178 S182 L227 D229 | A176-R180 PolarHBondContact O-N 3.3Å; A176-R180 VanDerWaalsContact O-N 3.11Å; V177-R180 PolarHBondContact O-N 3.2Å; M178-R180 VanDerWaalsContact C-N 3.29Å; R180-S182 PolarHBondContact O-N 3.48Å; R180-L227 PolarHBondContact NH1-O 2.84Å; R180-L227 PolarHBondContact NH2-O 2.94Å; R180-D229 WeakPolarHBondContact CD-OD2 3.38Å; R180-D229 IonicContact CZ-OD2 3.51Å; R180-D229 IonicContact NE-OD2 3.56Å; R180-D229 IonicContact NH1-OD2 2.74Å; R180-D229 PolarHBondContact NH1-OD2 3.36Å |
| 181 | R | 88.5 | Confident | 90.3 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 30% | 0.302 | 20% | 0.198 | S | C | . | . | trans | -89.2 | 78.1 | -176.1 | -74.3 | -77.4 | -160 | 132.4 | 8.6 | 111.3 | E117 G118 A176 R179 D183 L184 I185 | E117-R181 PolarHBondContact O-NH2 2.98Å; G118-R181 VanDerWaalsContact CA-NH2 3.32Å; G118-R181 VanDerWaalsContact O-CZ 3.23Å; G118-R181 PolarHBondContact O-NH1 2.89Å; G118-R181 PolarHBondContact O-NH2 3.27Å; A176-R181 PolarHBondContact O-N 3.38Å; R179-R181 HydrophobicContact CB-CG 3.86Å; R179-R181 PolarHBondContact O-N 3.39Å; R181-D183 WeakPolarHBondContact CA-OD1 3.46Å; R181-D183 WeakPolarHBondContact CB-OD1 3.37Å; R181-D183 IonicContact NH1-OD2 3.12Å; R181-D183 PolarHBondContact O-N 3.06Å; R181-D183 VanDerWaalsContact O-N 3.11Å; R181-L184 HydrophobicContact CB-CB 3.89Å; R181-L184 HydrophobicContact CB-CD1 3.69Å; R181-L184 HydrophobicContact CB-CG 4Å; R181-L184 HydrophobicContact CG-CD1 3.81Å; R181-L184 PolarHBondContact O-N 3.48Å; R181-I185 VanDerWaalsContact O-CG1 3.24Å; R181-I185 WeakPolarHBondContact O-CG1 3.25Å; R181-I185 PolarHBondContact O-N 3.3Å | ||
| 182 | S | 85 | Confident | 89.9 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.5 | -24.4 | -176.8 | -49.7 | 0 | 0 | 0 | 0 | 114.6 | R180 R186 | R180-S182 PolarHBondContact O-N 3.48Å; S182-R186 WeakPolarHBondContact O-CG 3.21Å; S182-R186 PolarHBondContact O-N 3.16Å |
| 183 | D | 89.4 | Confident | 89.7 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.5 | -55.4 | 170.2 | 55.5 | -27.2 | 0 | 0 | 0 | 111.7 | L120 R181 I185 R186 L187 | L120-D183 HydrophobicContact CD1-CB 4.06Å; L120-D183 HydrophobicContact CD2-CB 4.29Å; R181-D183 WeakPolarHBondContact CA-OD1 3.46Å; R181-D183 WeakPolarHBondContact CB-OD1 3.37Å; R181-D183 IonicContact NH1-OD2 3.12Å; R181-D183 PolarHBondContact O-N 3.06Å; R181-D183 VanDerWaalsContact O-N 3.11Å; D183-I185 VanDerWaalsContact C-N 3.33Å; D183-I185 PolarHBondContact O-N 3.1Å; D183-R186 PolarHBondContact O-N 3.41Å; D183-L187 WeakPolarHBondContact O-CB 3.49Å; D183-L187 PolarHBondContact O-N 2.83Å; D183-L187 VanDerWaalsContact O-N 3.09Å |
| 184 | L | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 178.9 | -65.7 | 173.3 | 0 | 0 | 0 | 112.5 | V115 L120 V123 A176 R181 L187 L188 | V115-L184 HydrophobicContact CG1-CD1 4.25Å; V115-L184 WeakPolarHBondContact O-CD1 3.47Å; L120-L184 HydrophobicContact CB-CD2 4.5Å; L120-L184 HydrophobicContact CD1-CD2 3.72Å; L120-L184 HydrophobicContact CD1-CG 4.34Å; V123-L184 HydrophobicContact CB-CD2 3.87Å; V123-L184 HydrophobicContact CG1-CD2 3.95Å; V123-L184 HydrophobicContact CG2-CD2 3.82Å; A176-L184 HydrophobicContact CB-CB 4.04Å; R181-L184 HydrophobicContact CB-CB 3.89Å; R181-L184 HydrophobicContact CB-CD1 3.69Å; R181-L184 HydrophobicContact CB-CG 4Å; R181-L184 HydrophobicContact CG-CD1 3.81Å; R181-L184 PolarHBondContact O-N 3.48Å; L184-L187 PolarHBondContact O-N 3.39Å; L184-L188 WeakPolarHBondContact O-CB 3.45Å; L184-L188 WeakPolarHBondContact O-CD1 3.35Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.34Å; L184-L188 PolarHBondContact O-N 3.07Å |
| 185 | I | 90.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 179.7 | -66.4 | 165.3 | 0 | 0 | 0 | 110.8 | L173 A176 V177 R181 D183 L189 L232 L236 | L173-I185 HydrophobicContact CD1-CG2 4.07Å; A176-I185 HydrophobicContact CB-CD1 4.47Å; A176-I185 HydrophobicContact CB-CG1 3.57Å; V177-I185 HydrophobicContact CB-CD1 4.42Å; V177-I185 HydrophobicContact CG2-CD1 3.88Å; V177-I185 HydrophobicContact CG2-CG1 4.23Å; R181-I185 VanDerWaalsContact O-CG1 3.24Å; R181-I185 WeakPolarHBondContact O-CG1 3.25Å; R181-I185 PolarHBondContact O-N 3.3Å; D183-I185 VanDerWaalsContact C-N 3.33Å; D183-I185 PolarHBondContact O-N 3.1Å; I185-L189 HydrophobicContact CG2-CD1 4.07Å; I185-L189 WeakPolarHBondContact O-CB 3.36Å; I185-L189 WeakPolarHBondContact O-CD1 3.44Å; I185-L189 WeakPolarHBondContact O-CG 3.35Å; I185-L189 PolarHBondContact O-N 3Å; I185-L232 HydrophobicContact CD1-CD1 3.45Å; I185-L232 VanDerWaalsContact CD1-CD1 3.45Å; I185-L232 HydrophobicContact CD1-CD2 4.05Å; I185-L232 HydrophobicContact CD1-CG 4.39Å; I185-L232 HydrophobicContact CG2-CD1 4.39Å; I185-L236 HydrophobicContact CG2-CD2 4.35Å |
| 186 | R | 88.8 | Confident | 89.4 | Confident | 157 Ų | 157 | 52.1 Ų | 52.1 | 59% | 0.592 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.6 | -52.1 | 172.6 | -73.8 | 172.8 | -179.6 | 150.8 | 2.1 | 110.7 | S182 D183 L188 L189 D190 | S182-R186 WeakPolarHBondContact O-CG 3.21Å; S182-R186 PolarHBondContact O-N 3.16Å; D183-R186 PolarHBondContact O-N 3.41Å; R186-L188 VanDerWaalsContact C-N 3.31Å; R186-L188 PolarHBondContact O-N 3.41Å; R186-L189 PolarHBondContact O-N 3.28Å; R186-L189 VanDerWaalsContact O-N 3.08Å; R186-D190 WeakPolarHBondContact O-CB 3.49Å; R186-D190 PolarHBondContact O-N 3.04Å; R186-D190 VanDerWaalsContact O-OD2 3.13Å |
| 187 | L | 90.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -41.4 | -177.4 | -176.7 | 66.6 | 0 | 0 | 0 | 113.3 | L120 V123 D124 L127 D183 L184 H191 | L120-L187 HydrophobicContact CD1-CD2 3.75Å; V123-L187 HydrophobicContact CB-CD2 4.18Å; V123-L187 HydrophobicContact CG1-CD2 3.81Å; D124-L187 HydrophobicContact CB-CD1 4.28Å; D124-L187 HydrophobicContact CB-CD2 3.89Å; D124-L187 WeakPolarHBondContact OD1-CD1 2.97Å; L127-L187 HydrophobicContact CD1-CD2 4.43Å; L127-L187 HydrophobicContact CD1-CG 4.04Å; D183-L187 WeakPolarHBondContact O-CB 3.49Å; D183-L187 PolarHBondContact O-N 2.83Å; D183-L187 VanDerWaalsContact O-N 3.09Å; L184-L187 PolarHBondContact O-N 3.39Å; L187-H191 PolarHBondContact O-N 3.36Å; L187-H191 PolarHBondContact O-ND1 3.33Å |
| 188 | L | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 176.4 | -75.5 | 164.6 | 0 | 0 | 0 | 112.3 | L111 V115 L127 A172 L173 A176 L184 R186 H191 G192 A193 | L111-L188 HydrophobicContact CD2-CD2 4.38Å; V115-L188 HydrophobicContact CG1-CD1 4.47Å; V115-L188 HydrophobicContact CG2-CD1 4.18Å; L127-L188 HydrophobicContact CD1-CD2 4.05Å; L127-L188 HydrophobicContact CD2-CD2 4.35Å; A172-L188 HydrophobicContact CB-CD1 4.26Å; A172-L188 HydrophobicContact CB-CD2 4.15Å; L173-L188 HydrophobicContact CD1-CB 4.29Å; A176-L188 HydrophobicContact CB-CD1 3.91Å; L184-L188 WeakPolarHBondContact O-CB 3.45Å; L184-L188 WeakPolarHBondContact O-CD1 3.35Å; L184-L188 VanDerWaalsContact O-CG 3.28Å; L184-L188 WeakPolarHBondContact O-CG 3.34Å; L184-L188 PolarHBondContact O-N 3.07Å; R186-L188 VanDerWaalsContact C-N 3.31Å; R186-L188 PolarHBondContact O-N 3.41Å; L188-H191 CarbonylContact O-C 3.54Å; L188-H191 PolarHBondContact O-N 3.1Å; L188-G192 PolarHBondContact O-N 3.03Å; L188-A193 HydrophobicContact CB-CB 3.97Å; L188-A193 WeakPolarHBondContact O-CB 3.45Å; L188-A193 PolarHBondContact O-N 2.8Å |
| 189 | L | 88.7 | Confident | 88.7 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.5 | -68.9 | 171.2 | 0 | 0 | 0 | 112.1 | L173 I185 R186 H191 G192 I195 R239 | L173-L189 HydrophobicContact CD1-CD2 4.2Å; L173-L189 HydrophobicContact CD1-CG 4.07Å; L173-L189 HydrophobicContact CD2-CD2 3.77Å; I185-L189 HydrophobicContact CG2-CD1 4.07Å; I185-L189 WeakPolarHBondContact O-CB 3.36Å; I185-L189 WeakPolarHBondContact O-CD1 3.44Å; I185-L189 WeakPolarHBondContact O-CG 3.35Å; I185-L189 PolarHBondContact O-N 3Å; R186-L189 PolarHBondContact O-N 3.28Å; R186-L189 VanDerWaalsContact O-N 3.08Å; L189-H191 PolarHBondContact O-N 3.31Å; L189-G192 PolarHBondContact O-N 3.03Å; L189-I195 HydrophobicContact CD1-CD1 4.21Å; L189-I195 HydrophobicContact CD2-CB 3.77Å; L189-I195 HydrophobicContact CD2-CD1 4.05Å; L189-I195 HydrophobicContact CD2-CG1 4.06Å; L189-R239 HydrophobicContact CD1-CB 4.21Å; L189-R239 HydrophobicContact CD1-CG 4.06Å |
| 190 | D | 87.1 | Confident | 88.4 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 53% | 0.529 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.3 | -25.5 | 175.8 | -66 | -29.6 | 0 | 0 | 0 | 112.2 | R186 R239 | R186-D190 WeakPolarHBondContact O-CB 3.49Å; R186-D190 PolarHBondContact O-N 3.04Å; R186-D190 VanDerWaalsContact O-OD2 3.13Å; D190-R239 IonicContact OD1-CZ 3.04Å; D190-R239 IonicContact OD1-NH1 3.44Å; D190-R239 PolarHBondContact OD1-NH1 3.33Å; D190-R239 IonicContact OD1-NH2 3.88Å; D190-R239 PolarHBondContact OD1-NH2 3.06Å; D190-R239 IonicContact OD2-NH2 2.82Å |
| 191 | H | 86 | Confident | 87.8 | Confident | 64 Ų | 64 | 48 Ų | 48 | 30% | 0.296 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 26.9 | 172.3 | -65.8 | 90.8 | 0 | 0 | 0 | 113.4 | L127 L187 L188 L189 A193 | L127-H191 HydrophobicContact CB-CB 4.06Å; L127-H191 HydrophobicContact CD1-CB 4.08Å; L127-H191 HydrophobicContact CD2-CB 4.15Å; L127-H191 HydrophobicContact CG-CB 4.32Å; L187-H191 PolarHBondContact O-N 3.36Å; L187-H191 PolarHBondContact O-ND1 3.33Å; L188-H191 CarbonylContact O-C 3.54Å; L188-H191 PolarHBondContact O-N 3.1Å; L189-H191 PolarHBondContact O-N 3.31Å; H191-A193 PolarHBondContact O-N 2.96Å |
| 192 | G | 84.2 | Confident | 87.3 | Confident | 53 Ų | 53 | 47 Ų | 47 | 55% | 0.546 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 24 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | L188 L189 | L188-G192 PolarHBondContact O-N 3.03Å; L189-G192 PolarHBondContact O-N 3.03Å |
| 193 | A | 88.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 44 Ų | 44 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | trans | -64.4 | 132.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N163 L173 L188 H191 I195 | N163-A193 WeakPolarHBondContact OD1-CA 3.33Å; L173-A193 HydrophobicContact CB-CB 4.36Å; L173-A193 HydrophobicContact CD2-CB 4.4Å; L188-A193 HydrophobicContact CB-CB 3.97Å; L188-A193 WeakPolarHBondContact O-CB 3.45Å; L188-A193 PolarHBondContact O-N 2.8Å; H191-A193 PolarHBondContact O-N 2.96Å; A193-I195 PolarHBondContact O-N 3.05Å | ||
| 194 | D | 88.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | trans | -79.7 | 110.8 | -177.5 | 178.5 | 2.4 | 0 | 0 | 0 | 110.6 | N163 N196 L197 | N163-D194 PolarHBondContact OD1-N 2.85Å; D194-N196 PolarHBondContact O-N 3.11Å; D194-N196 WeakPolarHBondContact OD1-CA 3.49Å; D194-N196 PolarHBondContact OD1-N 2.99Å; D194-L197 HydrophobicContact CB-CD1 3.94Å; D194-L197 HydrophobicContact CB-CG 3.86Å; D194-L197 WeakPolarHBondContact OD2-CG 3.27Å | ||
| 195 | I | 91.8 | Very high | 85.9 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -21.9 | 179.3 | -160.7 | 169.5 | 0 | 0 | 0 | 113.4 | L173 L189 A193 S218 L236 R239 A241 | L173-I195 HydrophobicContact CD2-CB 4.36Å; L173-I195 HydrophobicContact CD2-CG1 4.44Å; L189-I195 HydrophobicContact CD1-CD1 4.21Å; L189-I195 HydrophobicContact CD2-CB 3.77Å; L189-I195 HydrophobicContact CD2-CD1 4.05Å; L189-I195 HydrophobicContact CD2-CG1 4.06Å; A193-I195 PolarHBondContact O-N 3.05Å; I195-S218 WeakPolarHBondContact O-CB 3.29Å; I195-S218 PolarHBondContact O-OG 3.16Å; I195-L236 HydrophobicContact CD1-CB 4.23Å; I195-L236 HydrophobicContact CD1-CD2 3.71Å; I195-L236 WeakPolarHBondContact CD1-O 3.48Å; I195-L236 HydrophobicContact CG1-CD2 3.99Å; I195-R239 HydrophobicContact CD1-CB 3.61Å; I195-R239 WeakPolarHBondContact CD1-O 3.34Å; I195-A241 HydrophobicContact CD1-CB 3.83Å; I195-A241 HydrophobicContact CG1-CB 4.01Å |
| 196 | N | 91.1 | Very high | 85.5 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 5.5 | -171.3 | -71.6 | -42.8 | 0 | 0 | 0 | 113.7 | D194 P198 E240 A241 V242 | D194-N196 PolarHBondContact O-N 3.11Å; D194-N196 WeakPolarHBondContact OD1-CA 3.49Å; D194-N196 PolarHBondContact OD1-N 2.99Å; N196-P198 WeakPolarHBondContact O-CD 3.4Å; N196-E240 PolarHBondContact ND2-O 2.84Å; N196-E240 PolarHBondContact OD1-O 3.15Å; N196-A241 WeakPolarHBondContact OD1-CA 3.44Å; N196-V242 HydrophobicContact CB-CG2 4.5Å; N196-V242 PolarHBondContact OD1-N 3.46Å |
| 197 | L | 88.6 | Confident | 85.2 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 123 | 168.4 | -75.3 | 171.3 | 0 | 0 | 0 | 110.8 | N163 T171 H174 D194 G219 | N163-L197 HydrophobicContact CB-CD1 3.87Å; T171-L197 HydrophobicContact CG2-CD1 4Å; H174-L197 PolarHBondContact NE2-O 2.73Å; D194-L197 HydrophobicContact CB-CD1 3.94Å; D194-L197 HydrophobicContact CB-CG 3.86Å; D194-L197 WeakPolarHBondContact OD2-CG 3.27Å; L197-G219 WeakPolarHBondContact O-CA 3.34Å; L197-G219 PolarHBondContact O-N 2.93Å |
| 198 | P | 87 | Confident | 84.7 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 160.6 | 179.7 | 30.8 | -35.9 | 0 | 0 | 0 | 111.7 | R165 N196 C214 | R165-P198 VanDerWaalsContact CZ-O 3.27Å; R165-P198 PolarHBondContact NH1-O 3.4Å; R165-P198 PolarHBondContact NH2-O 3.04Å; N196-P198 WeakPolarHBondContact O-CD 3.4Å; P198-C214 HydrophobicContact CB-CB 4.44Å; P198-C214 WeakPolarHBondContact CB-O 3.21Å |
| 199 | L | 85.7 | Confident | 84.3 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -71 | 146.6 | 169.5 | -58.5 | 171.6 | 0 | 0 | 0 | 110.1 | H174 V203 F209 C214 L222 L223 | H174-L199 WeakPolarHBondContact CD2-CD2 3.39Å; H174-L199 WeakPolarHBondContact NE2-CD2 3.33Å; L199-V203 HydrophobicContact CB-CB 4.21Å; L199-V203 HydrophobicContact CB-CG1 4.14Å; L199-V203 HydrophobicContact CD1-CG1 4.27Å; L199-V203 HydrophobicContact CD2-CG1 4Å; L199-V203 HydrophobicContact CG-CG1 4.34Å; L199-F209 HydrophobicContact CD1-CE2 3.54Å; L199-F209 HydrophobicContact CD1-CZ 4.03Å; L199-C214 HydrophobicContact CB-CB 4.36Å; L199-L222 HydrophobicContact CD1-CB 3.91Å; L199-L222 HydrophobicContact CD1-CD1 4.35Å; L199-L223 HydrophobicContact CD1-CD2 3.99Å; L199-L223 HydrophobicContact CD1-CG 4.05Å; L199-L223 HydrophobicContact CD2-CD1 3.98Å; L199-L223 HydrophobicContact CD2-CD2 4.42Å; L199-L223 HydrophobicContact CD2-CG 4.08Å |
| 200 | T | 83.6 | Confident | 83.7 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 160.1 | 175 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | A202 V203 S204 | T200-A202 PolarHBondContact O-N 2.91Å; T200-V203 PolarHBondContact O-N 2.85Å; T200-V203 VanDerWaalsContact O-N 3.11Å; T200-V203 PolarHBondContact OG1-N 3.21Å; T200-S204 PolarHBondContact O-N 3.08Å |
| 201 | K | 77.4 | Confident | 83.3 | Confident | 115 Ų | 115 | 53.2 Ų | 53.2 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.5 | -34.3 | 173.7 | -81.4 | -146 | 170 | -163.1 | 0 | 112.8 | S204 S205 E212 | K201-S204 PolarHBondContact O-N 2.84Å; K201-S205 WeakPolarHBondContact O-CB 3.45Å; K201-S205 PolarHBondContact O-N 3.22Å; K201-S205 PolarHBondContact O-OG 2.91Å; K201-E212 WeakPolarHBondContact CE-O 3.42Å; K201-E212 WeakPolarHBondContact CG-O 3.14Å; K201-E212 IonicContact NZ-OE2 2.69Å; K201-E212 PolarHBondContact NZ-OE2 3.04Å |
| 202 | A | 77.8 | Confident | 82.5 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -53.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | T200 S204 S205 M206 | T200-A202 PolarHBondContact O-N 2.91Å; A202-S204 PolarHBondContact O-N 2.82Å; A202-S205 PolarHBondContact O-N 3.37Å; A202-S205 PolarHBondContact O-OG 3.43Å; A202-M206 PolarHBondContact O-N 3Å |
| 203 | V | 80.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | K168 F170 L199 T200 S205 M206 F207 | K168-V203 WeakPolarHBondContact O-CG2 3.5Å; F170-V203 HydrophobicContact CD1-CG1 4.19Å; F170-V203 HydrophobicContact CD1-CG2 4.39Å; F170-V203 HydrophobicContact CD2-CG2 4.38Å; F170-V203 HydrophobicContact CE1-CB 4.49Å; F170-V203 HydrophobicContact CE1-CG1 3.42Å; F170-V203 VanDerWaalsContact CE1-CG1 3.42Å; F170-V203 HydrophobicContact CE1-CG2 4.18Å; F170-V203 HydrophobicContact CE2-CG1 4.47Å; F170-V203 HydrophobicContact CE2-CG2 4.14Å; F170-V203 HydrophobicContact CG-CG2 4.5Å; F170-V203 HydrophobicContact CZ-CB 4.46Å; F170-V203 HydrophobicContact CZ-CG1 3.59Å; F170-V203 HydrophobicContact CZ-CG2 4.04Å; L199-V203 HydrophobicContact CB-CB 4.21Å; L199-V203 HydrophobicContact CB-CG1 4.14Å; L199-V203 HydrophobicContact CD1-CG1 4.27Å; L199-V203 HydrophobicContact CD2-CG1 4Å; L199-V203 HydrophobicContact CG-CG1 4.34Å; T200-V203 PolarHBondContact O-N 2.85Å; T200-V203 VanDerWaalsContact O-N 3.11Å; T200-V203 PolarHBondContact OG1-N 3.21Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 3.28Å; V203-M206 WeakPolarHBondContact O-CB 3.37Å; V203-M206 PolarHBondContact O-N 2.91Å; V203-M206 VanDerWaalsContact O-N 3.14Å; V203-F207 HydrophobicContact CG1-CD2 3.8Å; V203-F207 HydrophobicContact CG1-CE2 3.57Å; V203-F207 WeakPolarHBondContact O-CD2 3.47Å; V203-F207 PolarHBondContact O-N 2.7Å |
| 204 | S | 76.6 | Confident | 81.5 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 176 | -174.1 | 0 | 0 | 0 | 0 | 112 | T200 K201 A202 M206 F207 Q208 F209 F211 C214 | T200-S204 PolarHBondContact O-N 3.08Å; K201-S204 PolarHBondContact O-N 2.84Å; A202-S204 PolarHBondContact O-N 2.82Å; S204-M206 VanDerWaalsContact C-N 3.31Å; S204-M206 PolarHBondContact O-N 2.76Å; S204-F207 PolarHBondContact O-N 3.1Å; S204-Q208 PolarHBondContact O-N 3.45Å; S204-F209 PolarHBondContact O-N 3.46Å; S204-F209 WeakPolarHBondContact OG-CD2 3.29Å; S204-F211 PolarHBondContact OG-O 3.25Å; S204-C214 PolarHBondContact OG-SG 3.46Å |
| 205 | S | 79 | Confident | 80.8 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 60% | 0.601 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.5 | -30.6 | 176.7 | 71.8 | 0 | 0 | 0 | 0 | 113.3 | K201 A202 V203 F207 Q208 | K201-S205 WeakPolarHBondContact O-CB 3.45Å; K201-S205 PolarHBondContact O-N 3.22Å; K201-S205 PolarHBondContact O-OG 2.91Å; A202-S205 PolarHBondContact O-N 3.37Å; A202-S205 PolarHBondContact O-OG 3.43Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 3.28Å; S205-F207 VanDerWaalsContact C-N 3.35Å; S205-F207 PolarHBondContact O-N 2.83Å; S205-Q208 PolarHBondContact O-N 3.04Å |
| 206 | M | 83.9 | Confident | 80 | Confident | 128 Ų | 128 | 59 Ų | 59 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.6 | -34.2 | 179.3 | -168.3 | 177.1 | -174.1 | 0 | 0 | 112.7 | A202 V203 S204 | A202-M206 PolarHBondContact O-N 3Å; V203-M206 WeakPolarHBondContact O-CB 3.37Å; V203-M206 PolarHBondContact O-N 2.91Å; V203-M206 VanDerWaalsContact O-N 3.14Å; S204-M206 VanDerWaalsContact C-N 3.31Å; S204-M206 PolarHBondContact O-N 2.76Å |
| 207 | F | 81.9 | Confident | 79.7 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 18% | 0.18 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 4.2 | 178.5 | -64.6 | -65.7 | 0 | 0 | 0 | 114.6 | F170 M178 V203 S204 S205 F209 L223 H226 | F170-F207 AromaticContact CE1-CE2 3.8Å; F170-F207 HydrophobicContact CE1-CE2 3.8Å; F170-F207 HydrophobicContact CE1-CZ 4.19Å; F170-F207 AromaticContact CZ-CE2 3.71Å; F170-F207 HydrophobicContact CZ-CE2 3.71Å; F170-F207 AromaticContact CZ-CZ 3.93Å; F170-F207 HydrophobicContact CZ-CZ 3.93Å; M178-F207 HydrophobicContact CE-CE1 4.49Å; M178-F207 HydrophobicContact CE-CZ 3.87Å; M178-F207 HydrophobicContact SD-CZ 4.1Å; V203-F207 HydrophobicContact CG1-CD2 3.8Å; V203-F207 HydrophobicContact CG1-CE2 3.57Å; V203-F207 WeakPolarHBondContact O-CD2 3.47Å; V203-F207 PolarHBondContact O-N 2.7Å; S204-F207 PolarHBondContact O-N 3.1Å; S205-F207 VanDerWaalsContact C-N 3.35Å; S205-F207 PolarHBondContact O-N 2.83Å; F207-F209 VanDerWaalsContact C-N 3.34Å; F207-F209 HydrophobicContact CB-CD1 3.86Å; F207-F209 HydrophobicContact CB-CE1 3.33Å; F207-F209 HydrophobicContact CB-CE2 4.11Å; F207-F209 HydrophobicContact CB-CG 4.48Å; F207-F209 HydrophobicContact CB-CZ 3.48Å; F207-F209 VanDerWaalsContact CB-CZ 3.48Å; F207-F209 HydrophobicContact CD2-CE1 4.48Å; F207-F209 HydrophobicContact CD2-CE2 4.28Å; F207-F209 AromaticContact CD2-CZ 3.81Å; F207-F209 HydrophobicContact CD2-CZ 3.81Å; F207-F209 HydrophobicContact CG-CE1 4.15Å; F207-F209 AromaticContact CG-CZ 3.93Å; F207-F209 HydrophobicContact CG-CZ 3.93Å; F207-F209 PolarHBondContact O-N 2.84Å; F207-L223 HydrophobicContact CD2-CD2 3.97Å; F207-L223 HydrophobicContact CE2-CD2 3.44Å; F207-L223 VanDerWaalsContact CE2-CD2 3.44Å; F207-L223 HydrophobicContact CZ-CD2 3.93Å; F207-H226 AromaticContact CD1-CD2 3.72Å; F207-H226 AromaticContact CD1-NE2 3.39Å; F207-H226 WeakPolarHBondContact CD1-NE2 3.47Å |
| 208 | Q | 80.3 | Confident | 79.8 | Confident | 177 Ų | 177 | 55.1 Ų | 55.1 | 83% | 0.827 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 42.9 | 178 | -55.9 | -175.2 | 2 | 0 | 0 | 114.1 | S204 S205 | S204-Q208 PolarHBondContact O-N 3.45Å; S205-Q208 PolarHBondContact O-N 3.04Å |
| 209 | F | 82.7 | Confident | 79.9 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | trans | -63.8 | 149.6 | 176.4 | -58.6 | -32.5 | 0 | 0 | 0 | 112.1 | L199 S204 F207 F211 H226 L251 | L199-F209 HydrophobicContact CD1-CE2 3.54Å; L199-F209 HydrophobicContact CD1-CZ 4.03Å; S204-F209 PolarHBondContact O-N 3.46Å; S204-F209 WeakPolarHBondContact OG-CD2 3.29Å; F207-F209 VanDerWaalsContact C-N 3.34Å; F207-F209 HydrophobicContact CB-CD1 3.86Å; F207-F209 HydrophobicContact CB-CE1 3.33Å; F207-F209 HydrophobicContact CB-CE2 4.11Å; F207-F209 HydrophobicContact CB-CG 4.48Å; F207-F209 HydrophobicContact CB-CZ 3.48Å; F207-F209 VanDerWaalsContact CB-CZ 3.48Å; F207-F209 HydrophobicContact CD2-CE1 4.48Å; F207-F209 HydrophobicContact CD2-CE2 4.28Å; F207-F209 AromaticContact CD2-CZ 3.81Å; F207-F209 HydrophobicContact CD2-CZ 3.81Å; F207-F209 HydrophobicContact CG-CE1 4.15Å; F207-F209 AromaticContact CG-CZ 3.93Å; F207-F209 HydrophobicContact CG-CZ 3.93Å; F207-F209 PolarHBondContact O-N 2.84Å; F209-F211 HydrophobicContact CB-CD2 4.2Å; F209-F211 HydrophobicContact CB-CE2 3.81Å; F209-F211 HydrophobicContact CB-CZ 4.06Å; F209-F211 HydrophobicContact CD2-CE2 4.28Å; F209-F211 HydrophobicContact CG-CE2 4.3Å; F209-F211 PolarHBondContact O-N 3.08Å; F209-H226 HydrophobicContact CE1-CB 4.07Å; F209-H226 AromaticContact CE1-CG 3.99Å; F209-H226 AromaticContact CE1-ND1 3.81Å; F209-L251 HydrophobicContact CB-CD1 4.45Å; F209-L251 HydrophobicContact CD1-CD1 3.5Å; F209-L251 HydrophobicContact CD1-CD2 3.77Å; F209-L251 HydrophobicContact CD1-CG 4.31Å; F209-L251 HydrophobicContact CE1-CD1 4.14Å; F209-L251 HydrophobicContact CE1-CD2 3.7Å; F209-L251 HydrophobicContact CG-CD1 4.28Å; F209-L251 HydrophobicContact CG-CD2 4.5Å; F209-L251 HydrophobicContact CZ-CD2 4.41Å | ||
| 210 | P | 75.1 | Confident | 80.1 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -74.7 | 15.7 | -174.8 | 30.6 | -34.8 | 0 | 0 | 0 | 114.6 | ||
| 211 | F | 79.8 | Confident | 80.5 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -147.4 | 136.6 | -179.2 | 36.6 | -98.1 | 0 | 0 | 0 | 110.6 | S204 F209 D213 L222 K247 L251 | S204-F211 PolarHBondContact OG-O 3.25Å; F209-F211 HydrophobicContact CB-CD2 4.2Å; F209-F211 HydrophobicContact CB-CE2 3.81Å; F209-F211 HydrophobicContact CB-CZ 4.06Å; F209-F211 HydrophobicContact CD2-CE2 4.28Å; F209-F211 HydrophobicContact CG-CE2 4.3Å; F209-F211 PolarHBondContact O-N 3.08Å; F211-D213 VanDerWaalsContact C-N 3.32Å; F211-D213 PolarHBondContact O-N 2.86Å; F211-L222 HydrophobicContact CE2-CD2 4.01Å; F211-L222 HydrophobicContact CZ-CD2 3.68Å; F211-K247 HydrophobicContact CD1-CB 4.36Å; F211-K247 HydrophobicContact CD1-CG 4.47Å; F211-K247 HydrophobicContact CD2-CD 4.43Å; F211-K247 HydrophobicContact CE1-CB 3.92Å; F211-K247 WeakPolarHBondContact CE1-O 3.39Å; F211-K247 HydrophobicContact CE2-CB 4.08Å; F211-K247 HydrophobicContact CZ-CB 3.78Å; F211-K247 VanDerWaalsContact CZ-O 3.32Å; F211-K247 WeakPolarHBondContact CZ-O 3.4Å; F211-L251 HydrophobicContact CE1-CB 4.22Å; F211-L251 HydrophobicContact CZ-CB 4.14Å |
| 212 | E | 68.4 | Low | 81.1 | Confident | 153 Ų | 153 | 45.3 Ų | 45.3 | 72% | 0.715 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -72.4 | -20.1 | -176.9 | -71.1 | -165.5 | -170.8 | 0 | 0 | 115 | K201 | K201-E212 WeakPolarHBondContact CE-O 3.42Å; K201-E212 WeakPolarHBondContact CG-O 3.14Å; K201-E212 IonicContact NZ-OE2 2.69Å; K201-E212 PolarHBondContact NZ-OE2 3.04Å |
| 213 | D | 76.3 | Confident | 81.7 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | trans | -133.6 | 113.2 | -171.1 | -173 | 14.2 | 0 | 0 | 0 | 112.6 | F211 S215 K247 | F211-D213 VanDerWaalsContact C-N 3.32Å; F211-D213 PolarHBondContact O-N 2.86Å; D213-S215 VanDerWaalsContact C-N 3.26Å; D213-S215 PolarHBondContact O-N 3.25Å; D213-S215 VanDerWaalsContact OD1-CB 3.3Å; D213-S215 WeakPolarHBondContact OD1-CB 3.3Å; D213-S215 PolarHBondContact OD1-N 3.23Å; D213-S215 PolarHBondContact OD1-OG 3.46Å; D213-S215 WeakPolarHBondContact OD2-CB 3.48Å; D213-S215 PolarHBondContact OD2-OG 3.33Å; D213-K247 WeakPolarHBondContact O-CE 3.36Å; D213-K247 PolarHBondContact O-NZ 3.45Å | ||
| 214 | C | 75.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | trans | -82.6 | 4.1 | 177.4 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | P198 L199 S204 G216 T217 L222 | P198-C214 HydrophobicContact CB-CB 4.44Å; P198-C214 WeakPolarHBondContact CB-O 3.21Å; L199-C214 HydrophobicContact CB-CB 4.36Å; S204-C214 PolarHBondContact OG-SG 3.46Å; C214-G216 PolarHBondContact O-N 2.98Å; C214-T217 PolarHBondContact O-N 3.33Å; C214-L222 HydrophobicContact CB-CD1 3.87Å | ||
| 215 | S | 74.2 | Confident | 82.9 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 36% | 0.357 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 136.6 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | D213 T217 K247 | D213-S215 VanDerWaalsContact C-N 3.26Å; D213-S215 PolarHBondContact O-N 3.25Å; D213-S215 VanDerWaalsContact OD1-CB 3.3Å; D213-S215 WeakPolarHBondContact OD1-CB 3.3Å; D213-S215 PolarHBondContact OD1-N 3.23Å; D213-S215 PolarHBondContact OD1-OG 3.46Å; D213-S215 WeakPolarHBondContact OD2-CB 3.48Å; D213-S215 PolarHBondContact OD2-OG 3.33Å; S215-T217 VanDerWaalsContact C-N 3.29Å; S215-T217 PolarHBondContact O-N 2.82Å; S215-K247 PolarHBondContact O-NZ 3.03Å |
| 216 | G | 75.5 | Confident | 83.4 | Confident | 44 Ų | 44 | 41 Ų | 41 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -21.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | C214 P244 | C214-G216 PolarHBondContact O-N 2.98Å; G216-P244 WeakPolarHBondContact O-CD 3.37Å; G216-P244 WeakPolarHBondContact O-CG 3.12Å |
| 217 | T | 84.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -100.4 | 139.2 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 111 | C214 S215 G219 L222 D243 K247 A248 | C214-T217 PolarHBondContact O-N 3.33Å; S215-T217 VanDerWaalsContact C-N 3.29Å; S215-T217 PolarHBondContact O-N 2.82Å; T217-G219 PolarHBondContact O-N 3.16Å; T217-L222 HydrophobicContact CG2-CD1 3.78Å; T217-L222 HydrophobicContact CG2-CD2 4.39Å; T217-L222 HydrophobicContact CG2-CG 3.8Å; T217-D243 WeakPolarHBondContact CB-OD1 3.32Å; T217-D243 HydrophobicContact CG2-CB 4.05Å; T217-D243 WeakPolarHBondContact CG2-OD1 3.41Å; T217-D243 PolarHBondContact OG1-OD1 3.22Å; T217-K247 HydrophobicContact CG2-CB 4.37Å; T217-A248 HydrophobicContact CG2-CB 4.34Å |
| 218 | S | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -53 | 121.9 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | I195 A220 L221 L222 V242 | I195-S218 WeakPolarHBondContact O-CB 3.29Å; I195-S218 PolarHBondContact O-OG 3.16Å; S218-A220 VanDerWaalsContact C-N 3.34Å; S218-A220 PolarHBondContact OG-N 3.05Å; S218-L221 PolarHBondContact O-N 3.33Å; S218-L221 WeakPolarHBondContact OG-CB 3.29Å; S218-L221 PolarHBondContact OG-N 3.44Å; S218-L221 VanDerWaalsContact OG-N 3.08Å; S218-L222 PolarHBondContact O-N 3.39Å; S218-L222 VanDerWaalsContact O-N 3.08Å; S218-V242 PolarHBondContact N-O 3.46Å | ||
| 219 | G | 88.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.2 | -31.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | H174 L197 T217 L222 L223 | H174-G219 VanDerWaalsContact CD2-C 3.42Å; H174-G219 VanDerWaalsContact NE2-CA 3.33Å; H174-G219 WeakPolarHBondContact NE2-CA 3.46Å; L197-G219 WeakPolarHBondContact O-CA 3.34Å; L197-G219 PolarHBondContact O-N 2.93Å; T217-G219 PolarHBondContact O-N 3.16Å; G219-L222 PolarHBondContact O-N 3.05Å; G219-L223 WeakPolarHBondContact O-CG 3.49Å; G219-L223 PolarHBondContact O-N 2.72Å; G219-L223 VanDerWaalsContact O-N 3.09Å |
| 220 | A | 90.7 | Very high | 84.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L173 H174 V177 S218 L223 A224 L236 | L173-A220 HydrophobicContact CD2-CB 4.41Å; H174-A220 PolarHBondContact NE2-N 2.97Å; V177-A220 HydrophobicContact CG2-CB 4.2Å; S218-A220 VanDerWaalsContact C-N 3.34Å; S218-A220 PolarHBondContact OG-N 3.05Å; A220-L223 PolarHBondContact O-N 3.45Å; A220-A224 WeakPolarHBondContact O-CB 3.46Å; A220-A224 PolarHBondContact O-N 2.72Å; A220-L236 HydrophobicContact CB-CD1 4.14Å; A220-L236 HydrophobicContact CB-CD2 4.12Å |
| 221 | L | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 177.6 | -172.9 | 62.4 | 0 | 0 | 0 | 111.9 | S218 L223 A224 C225 V233 L237 A241 D243 A248 L264 | S218-L221 PolarHBondContact O-N 3.33Å; S218-L221 WeakPolarHBondContact OG-CB 3.29Å; S218-L221 PolarHBondContact OG-N 3.44Å; S218-L221 VanDerWaalsContact OG-N 3.08Å; L221-L223 PolarHBondContact O-N 3.15Å; L221-A224 PolarHBondContact O-N 3.15Å; L221-C225 WeakPolarHBondContact O-CB 3.22Å; L221-C225 PolarHBondContact O-N 3.47Å; L221-C225 PolarHBondContact O-SG 3.36Å; L221-V233 HydrophobicContact CD1-CG1 3.97Å; L221-V233 HydrophobicContact CD1-CG2 4.5Å; L221-L237 HydrophobicContact CD1-CD2 4.02Å; L221-L237 HydrophobicContact CD1-CG 4.04Å; L221-L237 HydrophobicContact CD2-CD2 3.98Å; L221-A241 HydrophobicContact CB-CB 4.27Å; L221-A241 HydrophobicContact CD2-CB 4.33Å; L221-D243 HydrophobicContact CD2-CB 4.03Å; L221-A248 HydrophobicContact CD2-CB 4.22Å; L221-A248 HydrophobicContact CG-CB 4.11Å; L221-L264 HydrophobicContact CD1-CD2 4.49Å; L221-L264 HydrophobicContact CD2-CD2 4.43Å |
| 222 | L | 91 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 175.3 | -80.9 | 164 | 0 | 0 | 0 | 112.6 | L199 F211 C214 T217 S218 G219 C225 H226 A248 L251 | L199-L222 HydrophobicContact CD1-CB 3.91Å; L199-L222 HydrophobicContact CD1-CD1 4.35Å; F211-L222 HydrophobicContact CE2-CD2 4.01Å; F211-L222 HydrophobicContact CZ-CD2 3.68Å; C214-L222 HydrophobicContact CB-CD1 3.87Å; T217-L222 HydrophobicContact CG2-CD1 3.78Å; T217-L222 HydrophobicContact CG2-CD2 4.39Å; T217-L222 HydrophobicContact CG2-CG 3.8Å; S218-L222 PolarHBondContact O-N 3.39Å; S218-L222 VanDerWaalsContact O-N 3.08Å; G219-L222 PolarHBondContact O-N 3.05Å; L222-C225 PolarHBondContact O-N 2.78Å; L222-H226 WeakPolarHBondContact O-CB 3.4Å; L222-H226 PolarHBondContact O-N 2.89Å; L222-A248 HydrophobicContact CD2-CB 4.06Å; L222-A248 HydrophobicContact CG-CB 4.41Å; L222-L251 HydrophobicContact CD2-CD2 3.86Å |
| 223 | L | 90.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 176.2 | -66.6 | 177.6 | 0 | 0 | 0 | 111.9 | F170 H174 V177 M178 L199 F207 G219 A220 L221 C225 H226 L227 | F170-L223 HydrophobicContact CD1-CD1 4.25Å; F170-L223 HydrophobicContact CE1-CD1 4.16Å; F170-L223 HydrophobicContact CE1-CD2 4.4Å; H174-L223 HydrophobicContact CB-CD1 3.76Å; V177-L223 HydrophobicContact CG1-CB 3.68Å; M178-L223 HydrophobicContact CG-CD1 3.97Å; M178-L223 HydrophobicContact SD-CD1 4.3Å; L199-L223 HydrophobicContact CD1-CD2 3.99Å; L199-L223 HydrophobicContact CD1-CG 4.05Å; L199-L223 HydrophobicContact CD2-CD1 3.98Å; L199-L223 HydrophobicContact CD2-CD2 4.42Å; L199-L223 HydrophobicContact CD2-CG 4.08Å; F207-L223 HydrophobicContact CD2-CD2 3.97Å; F207-L223 HydrophobicContact CE2-CD2 3.44Å; F207-L223 VanDerWaalsContact CE2-CD2 3.44Å; F207-L223 HydrophobicContact CZ-CD2 3.93Å; G219-L223 WeakPolarHBondContact O-CG 3.49Å; G219-L223 PolarHBondContact O-N 2.72Å; G219-L223 VanDerWaalsContact O-N 3.09Å; A220-L223 PolarHBondContact O-N 3.45Å; L221-L223 PolarHBondContact O-N 3.15Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 2.79Å; L223-H226 PolarHBondContact O-N 3.35Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CD1 3.2Å; L223-L227 WeakPolarHBondContact O-CG 3.33Å; L223-L227 PolarHBondContact O-N 2.98Å |
| 224 | A | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V177 A220 L221 N228 D229 L232 V233 L236 | V177-A224 HydrophobicContact CG1-CB 4.3Å; A220-A224 WeakPolarHBondContact O-CB 3.46Å; A220-A224 PolarHBondContact O-N 2.72Å; L221-A224 PolarHBondContact O-N 3.15Å; A224-N228 PolarHBondContact O-N 2.72Å; A224-D229 PolarHBondContact O-N 3.11Å; A224-D229 VanDerWaalsContact O-N 3.15Å; A224-L232 HydrophobicContact CB-CB 4.39Å; A224-L232 HydrophobicContact CB-CD2 4.12Å; A224-L232 HydrophobicContact CB-CG 4.08Å; A224-V233 HydrophobicContact CB-CG2 3.69Å; A224-L236 HydrophobicContact CB-CD1 3.67Å |
| 225 | C | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -46.4 | 172.5 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | L221 L222 L223 L227 N228 L251 F257 I260 | L221-C225 WeakPolarHBondContact O-CB 3.22Å; L221-C225 PolarHBondContact O-N 3.47Å; L221-C225 PolarHBondContact O-SG 3.36Å; L222-C225 PolarHBondContact O-N 2.78Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 2.79Å; C225-L227 VanDerWaalsContact C-N 3.28Å; C225-L227 PolarHBondContact O-N 2.89Å; C225-N228 PolarHBondContact O-N 2.87Å; C225-L251 HydrophobicContact CB-CD2 4.49Å; C225-F257 VanDerWaalsContact O-CD2 3.25Å; C225-F257 WeakPolarHBondContact O-CD2 3.44Å; C225-F257 WeakPolarHBondContact O-CE2 3.35Å; C225-I260 HydrophobicContact CB-CG2 4.37Å |
| 226 | H | 90 | Very high | 88.5 | Confident | 60 Ų | 60 | 27.8 Ų | 27.8 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.7 | -35.9 | 177.4 | -176.4 | 73.5 | 0 | 0 | 0 | 112.9 | F207 F209 L222 L223 N228 L251 | F207-H226 AromaticContact CD1-CD2 3.72Å; F207-H226 AromaticContact CD1-NE2 3.39Å; F207-H226 WeakPolarHBondContact CD1-NE2 3.47Å; F209-H226 HydrophobicContact CE1-CB 4.07Å; F209-H226 AromaticContact CE1-CG 3.99Å; F209-H226 AromaticContact CE1-ND1 3.81Å; L222-H226 WeakPolarHBondContact O-CB 3.4Å; L222-H226 PolarHBondContact O-N 2.89Å; L223-H226 PolarHBondContact O-N 3.35Å; H226-N228 PolarHBondContact O-N 2.98Å; H226-L251 HydrophobicContact CB-CD2 4.31Å |
| 227 | L | 89.2 | Confident | 89 | Confident | 43 Ų | 43 | 26.7 Ų | 26.7 | 23% | 0.225 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.1 | 177.1 | -69 | 163.6 | 0 | 0 | 0 | 113.8 | V177 R180 L223 C225 D229 | V177-L227 HydrophobicContact CG1-CD1 4.17Å; V177-L227 WeakPolarHBondContact O-CD1 3.27Å; R180-L227 PolarHBondContact NH1-O 2.84Å; R180-L227 PolarHBondContact NH2-O 2.94Å; L223-L227 WeakPolarHBondContact O-CB 3.37Å; L223-L227 WeakPolarHBondContact O-CD1 3.2Å; L223-L227 WeakPolarHBondContact O-CG 3.33Å; L223-L227 PolarHBondContact O-N 2.98Å; C225-L227 VanDerWaalsContact C-N 3.28Å; C225-L227 PolarHBondContact O-N 2.89Å; L227-D229 VanDerWaalsContact C-N 3.33Å; L227-D229 PolarHBondContact O-N 3.31Å |
| 228 | N | 90.7 | Very high | 89 | Confident | 73 Ų | 73 | 33.6 Ų | 33.6 | 39% | 0.39 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 47.7 | -171 | -166 | 35.6 | 0 | 0 | 0 | 112.9 | A224 C225 H226 F257 I260 | A224-N228 PolarHBondContact O-N 2.72Å; C225-N228 PolarHBondContact O-N 2.87Å; H226-N228 PolarHBondContact O-N 2.98Å; N228-F257 HydrophobicContact CB-CD1 4.13Å; N228-F257 HydrophobicContact CB-CD2 4.16Å; N228-F257 HydrophobicContact CB-CE1 3.93Å; N228-F257 HydrophobicContact CB-CE2 3.96Å; N228-F257 HydrophobicContact CB-CG 4.25Å; N228-F257 HydrophobicContact CB-CZ 3.84Å; N228-F257 WeakPolarHBondContact OD1-CG 3.25Å; N228-I260 WeakPolarHBondContact OD1-CD1 3.46Å |
| 229 | D | 90 | Very high | 88.8 | Confident | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | trans | -107.4 | 90.1 | -178.8 | -157 | -52.9 | 0 | 0 | 0 | 112 | R180 A224 L227 Q231 L232 V233 | R180-D229 WeakPolarHBondContact CD-OD2 3.38Å; R180-D229 IonicContact CZ-OD2 3.51Å; R180-D229 IonicContact NE-OD2 3.56Å; R180-D229 IonicContact NH1-OD2 2.74Å; R180-D229 PolarHBondContact NH1-OD2 3.36Å; A224-D229 PolarHBondContact O-N 3.11Å; A224-D229 VanDerWaalsContact O-N 3.15Å; L227-D229 VanDerWaalsContact C-N 3.33Å; L227-D229 PolarHBondContact O-N 3.31Å; D229-Q231 VanDerWaalsContact C-N 3.35Å; D229-Q231 PolarHBondContact O-N 2.87Å; D229-L232 HydrophobicContact CB-CB 3.88Å; D229-L232 PolarHBondContact O-N 3.32Å; D229-L232 WeakPolarHBondContact OD1-CB 3.06Å; D229-L232 PolarHBondContact OD1-N 3.03Å; D229-V233 WeakPolarHBondContact O-CG2 3.37Å; D229-V233 PolarHBondContact O-N 2.8Å | ||
| 230 | V | 88 | Confident | 88.6 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -41.4 | -174.6 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | L232 E234 D259 I260 | V230-L232 VanDerWaalsContact C-N 3.34Å; V230-E234 PolarHBondContact O-N 2.83Å; V230-D259 HydrophobicContact CG1-CB 4.44Å; V230-D259 HydrophobicContact CG2-CB 3.82Å; V230-I260 HydrophobicContact CG2-CD1 4.48Å; V230-I260 HydrophobicContact CG2-CG1 3.85Å |
| 231 | Q | 86.8 | Confident | 88.3 | Confident | 169 Ų | 169 | 46.2 Ų | 46.2 | 79% | 0.79 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.2 | -37.4 | 179.7 | -68.6 | -168.5 | 6.7 | 0 | 0 | 111.3 | D229 A235 | D229-Q231 VanDerWaalsContact C-N 3.35Å; D229-Q231 PolarHBondContact O-N 2.87Å; Q231-A235 WeakPolarHBondContact O-CB 3.46Å; Q231-A235 PolarHBondContact O-N 3.47Å |
| 232 | L | 88.9 | Confident | 88 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.3 | -39.3 | 178.5 | -170.2 | 60.6 | 0 | 0 | 0 | 112.4 | V177 I185 A224 D229 V230 A235 L236 | V177-L232 HydrophobicContact CB-CD2 4.34Å; V177-L232 HydrophobicContact CG1-CD2 3.92Å; V177-L232 HydrophobicContact CG2-CD2 4.33Å; I185-L232 HydrophobicContact CD1-CD1 3.45Å; I185-L232 VanDerWaalsContact CD1-CD1 3.45Å; I185-L232 HydrophobicContact CD1-CD2 4.05Å; I185-L232 HydrophobicContact CD1-CG 4.39Å; I185-L232 HydrophobicContact CG2-CD1 4.39Å; A224-L232 HydrophobicContact CB-CB 4.39Å; A224-L232 HydrophobicContact CB-CD2 4.12Å; A224-L232 HydrophobicContact CB-CG 4.08Å; D229-L232 HydrophobicContact CB-CB 3.88Å; D229-L232 PolarHBondContact O-N 3.32Å; D229-L232 WeakPolarHBondContact OD1-CB 3.06Å; D229-L232 PolarHBondContact OD1-N 3.03Å; V230-L232 VanDerWaalsContact C-N 3.34Å; L232-A235 PolarHBondContact O-N 3.05Å; L232-L236 HydrophobicContact CG-CD1 4.3Å; L232-L236 VanDerWaalsContact O-CG 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.5Å; L232-L236 PolarHBondContact O-N 3.18Å |
| 233 | V | 88.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 170.9 | 168 | 0 | 0 | 0 | 0 | 110.7 | L221 A224 D229 A235 L236 L237 I260 L264 | L221-V233 HydrophobicContact CD1-CG1 3.97Å; L221-V233 HydrophobicContact CD1-CG2 4.5Å; A224-V233 HydrophobicContact CB-CG2 3.69Å; D229-V233 WeakPolarHBondContact O-CG2 3.37Å; D229-V233 PolarHBondContact O-N 2.8Å; V233-A235 VanDerWaalsContact C-N 3.3Å; V233-A235 PolarHBondContact O-N 3.48Å; V233-L236 PolarHBondContact O-N 3.36Å; V233-L237 HydrophobicContact CG1-CD1 3.66Å; V233-L237 HydrophobicContact CG1-CG 4.33Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 3.02Å; V233-I260 HydrophobicContact CG1-CG2 4.33Å; V233-I260 HydrophobicContact CG2-CD1 4.24Å; V233-I260 HydrophobicContact CG2-CG2 4.23Å; V233-L264 HydrophobicContact CG1-CD2 4.48Å |
| 234 | E | 86.3 | Confident | 87.3 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -33.6 | 179.9 | -156.1 | -170 | -103.7 | 0 | 0 | 112.4 | V230 K238 | V230-E234 PolarHBondContact O-N 2.83Å; E234-K238 HydrophobicContact CG-CD 4.48Å; E234-K238 WeakPolarHBondContact O-CB 3.26Å; E234-K238 WeakPolarHBondContact O-CD 3.35Å; E234-K238 VanDerWaalsContact O-CG 3.27Å; E234-K238 WeakPolarHBondContact O-CG 3.32Å; E234-K238 PolarHBondContact O-N 3.39Å; E234-K238 VanDerWaalsContact O-N 3.12Å; E234-K238 IonicContact OE2-NZ 2.77Å; E234-K238 PolarHBondContact OE2-NZ 3.35Å |
| 235 | A | 85.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 58 Ų | 58 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q231 L232 V233 | Q231-A235 WeakPolarHBondContact O-CB 3.46Å; Q231-A235 PolarHBondContact O-N 3.47Å; L232-A235 PolarHBondContact O-N 3.05Å; V233-A235 VanDerWaalsContact C-N 3.3Å; V233-A235 PolarHBondContact O-N 3.48Å |
| 236 | L | 89.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.2 | -41.7 | 176 | -69.2 | 169 | 0 | 0 | 0 | 111.6 | V177 I185 I195 A220 A224 L232 V233 K238 R239 E240 A241 | V177-L236 HydrophobicContact CG2-CD1 4.43Å; I185-L236 HydrophobicContact CG2-CD2 4.35Å; I195-L236 HydrophobicContact CD1-CB 4.23Å; I195-L236 HydrophobicContact CD1-CD2 3.71Å; I195-L236 WeakPolarHBondContact CD1-O 3.48Å; I195-L236 HydrophobicContact CG1-CD2 3.99Å; A220-L236 HydrophobicContact CB-CD1 4.14Å; A220-L236 HydrophobicContact CB-CD2 4.12Å; A224-L236 HydrophobicContact CB-CD1 3.67Å; L232-L236 HydrophobicContact CG-CD1 4.3Å; L232-L236 VanDerWaalsContact O-CG 3.28Å; L232-L236 WeakPolarHBondContact O-CG 3.5Å; L232-L236 PolarHBondContact O-N 3.18Å; V233-L236 PolarHBondContact O-N 3.36Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.34Å; L236-R239 CarbonylContact O-C 3.22Å; L236-R239 WeakPolarHBondContact O-CA 3.44Å; L236-R239 PolarHBondContact O-N 2.89Å; L236-E240 PolarHBondContact O-N 2.99Å; L236-A241 HydrophobicContact CB-CB 4Å; L236-A241 VanDerWaalsContact O-CB 3.26Å; L236-A241 WeakPolarHBondContact O-CB 3.39Å; L236-A241 PolarHBondContact O-N 3.35Å; L236-A241 VanDerWaalsContact O-N 3.17Å |
| 237 | L | 86.4 | Confident | 86.2 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 175.9 | -68 | 167.3 | 0 | 0 | 0 | 111.8 | L221 V233 R239 E240 L264 | L221-L237 HydrophobicContact CD1-CD2 4.02Å; L221-L237 HydrophobicContact CD1-CG 4.04Å; L221-L237 HydrophobicContact CD2-CD2 3.98Å; V233-L237 HydrophobicContact CG1-CD1 3.66Å; V233-L237 HydrophobicContact CG1-CG 4.33Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.44Å; V233-L237 PolarHBondContact O-N 3.02Å; L237-R239 PolarHBondContact O-N 3.38Å; L237-E240 PolarHBondContact O-N 3.05Å; L237-L264 HydrophobicContact CD1-CD2 3.99Å; L237-L264 HydrophobicContact CD2-CD2 4.19Å |
| 238 | K | 85.2 | Confident | 86.2 | Confident | 144 Ų | 144 | 54.7 Ų | 54.7 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -3.8 | 170.8 | -75.1 | 169.5 | 178.3 | 167.4 | 0 | 114.6 | E234 L236 | E234-K238 HydrophobicContact CG-CD 4.48Å; E234-K238 WeakPolarHBondContact O-CB 3.26Å; E234-K238 WeakPolarHBondContact O-CD 3.35Å; E234-K238 VanDerWaalsContact O-CG 3.27Å; E234-K238 WeakPolarHBondContact O-CG 3.32Å; E234-K238 PolarHBondContact O-N 3.39Å; E234-K238 VanDerWaalsContact O-N 3.12Å; E234-K238 IonicContact OE2-NZ 2.77Å; E234-K238 PolarHBondContact OE2-NZ 3.35Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.34Å |
| 239 | R | 84.7 | Confident | 86 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 25.9 | 175.9 | -75 | -78.1 | -171.9 | 131.1 | 1.7 | 111.7 | L189 D190 I195 L236 L237 A241 | L189-R239 HydrophobicContact CD1-CB 4.21Å; L189-R239 HydrophobicContact CD1-CG 4.06Å; D190-R239 IonicContact OD1-CZ 3.04Å; D190-R239 IonicContact OD1-NH1 3.44Å; D190-R239 PolarHBondContact OD1-NH1 3.33Å; D190-R239 IonicContact OD1-NH2 3.88Å; D190-R239 PolarHBondContact OD1-NH2 3.06Å; D190-R239 IonicContact OD2-NH2 2.82Å; I195-R239 HydrophobicContact CD1-CB 3.61Å; I195-R239 WeakPolarHBondContact CD1-O 3.34Å; L236-R239 CarbonylContact O-C 3.22Å; L236-R239 WeakPolarHBondContact O-CA 3.44Å; L236-R239 PolarHBondContact O-N 2.89Å; L237-R239 PolarHBondContact O-N 3.38Å; R239-A241 PolarHBondContact O-N 2.96Å |
| 240 | E | 85.1 | Confident | 85.9 | Confident | 160 Ų | 160 | 50.7 Ų | 50.7 | 75% | 0.748 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 33.1 | 176 | -53.3 | -173.8 | 167.1 | 0 | 0 | 114.9 | N196 L236 L237 V242 | N196-E240 PolarHBondContact ND2-O 2.84Å; N196-E240 PolarHBondContact OD1-O 3.15Å; L236-E240 PolarHBondContact O-N 2.99Å; L237-E240 PolarHBondContact O-N 3.05Å; E240-V242 PolarHBondContact O-N 2.97Å |
| 241 | A | 84.8 | Confident | 85.9 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | trans | -66.3 | 123.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111 | I195 N196 L221 L236 R239 | I195-A241 HydrophobicContact CD1-CB 3.83Å; I195-A241 HydrophobicContact CG1-CB 4.01Å; N196-A241 WeakPolarHBondContact OD1-CA 3.44Å; L221-A241 HydrophobicContact CB-CB 4.27Å; L221-A241 HydrophobicContact CD2-CB 4.33Å; L236-A241 HydrophobicContact CB-CB 4Å; L236-A241 VanDerWaalsContact O-CB 3.26Å; L236-A241 WeakPolarHBondContact O-CB 3.39Å; L236-A241 PolarHBondContact O-N 3.35Å; L236-A241 VanDerWaalsContact O-N 3.17Å; R239-A241 PolarHBondContact O-N 2.96Å | ||
| 242 | V | 84.8 | Confident | 86 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 39% | 0.394 | 21% | 0.21 | S | C | . | . | trans | -103.8 | 147.7 | -175.9 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | N196 S218 E240 | N196-V242 HydrophobicContact CB-CG2 4.5Å; N196-V242 PolarHBondContact OD1-N 3.46Å; S218-V242 PolarHBondContact N-O 3.46Å; E240-V242 PolarHBondContact O-N 2.97Å | ||
| 243 | D | 87.2 | Confident | 85.9 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | trans | -136.7 | 65.2 | 170 | -172 | 27.2 | 0 | 0 | 0 | 111.3 | T217 L221 D245 N246 K247 A248 L249 | T217-D243 WeakPolarHBondContact CB-OD1 3.32Å; T217-D243 HydrophobicContact CG2-CB 4.05Å; T217-D243 WeakPolarHBondContact CG2-OD1 3.41Å; T217-D243 PolarHBondContact OG1-OD1 3.22Å; L221-D243 HydrophobicContact CD2-CB 4.03Å; D243-D245 PolarHBondContact O-N 3.18Å; D243-N246 PolarHBondContact O-N 3.17Å; D243-N246 VanDerWaalsContact OD2-CA 3.25Å; D243-N246 WeakPolarHBondContact OD2-CA 3.45Å; D243-K247 VanDerWaalsContact CG-N 3.25Å; D243-K247 PolarHBondContact OD1-N 3.31Å; D243-K247 PolarHBondContact OD2-N 3.08Å; D243-A248 HydrophobicContact CB-CB 4.37Å; D243-A248 VanDerWaalsContact CG-N 3.32Å; D243-A248 PolarHBondContact OD1-N 2.94Å; D243-A248 WeakPolarHBondContact OD2-CA 3.44Å; D243-A248 VanDerWaalsContact OD2-CB 3.3Å; D243-A248 WeakPolarHBondContact OD2-CB 3.36Å; D243-A248 PolarHBondContact OD2-N 2.8Å; D243-L249 PolarHBondContact OD2-N 2.92Å; D243-L249 VanDerWaalsContact OD2-N 3.15Å | ||
| 244 | P | 78.4 | Confident | 85.7 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 57% | 0.571 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.9 | -169.2 | 29 | -36.5 | 0 | 0 | 0 | 113.9 | G216 | G216-P244 WeakPolarHBondContact O-CD 3.37Å; G216-P244 WeakPolarHBondContact O-CG 3.12Å |
| 245 | D | 77.3 | Confident | 85.7 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 8.9 | 176.8 | -76.5 | -20 | 0 | 0 | 0 | 112.4 | D243 K247 Y315 | D243-D245 PolarHBondContact O-N 3.18Å; D245-K247 VanDerWaalsContact C-N 3.26Å; D245-K247 HydrophobicContact CB-CD 4.04Å; D245-K247 VanDerWaalsContact CB-CE 3.47Å; D245-K247 HydrophobicContact CB-CG 3.87Å; D245-K247 PolarHBondContact O-N 2.99Å; D245-K247 WeakPolarHBondContact OD2-CE 3.48Å; D245-K247 IonicContact OD2-NZ 3.73Å; D245-K247 PolarHBondContact OD2-NZ 3.28Å; D245-Y315 WeakPolarHBondContact O-CE2 3.19Å |
| 246 | N | 87.2 | Confident | 85.7 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | trans | 53.2 | 33.4 | -176.6 | -65.5 | -41.2 | 0 | 0 | 0 | 114.7 | D243 L249 S250 H312 N313 Y315 | D243-N246 PolarHBondContact O-N 3.17Å; D243-N246 VanDerWaalsContact OD2-CA 3.25Å; D243-N246 WeakPolarHBondContact OD2-CA 3.45Å; N246-L249 HydrophobicContact CB-CB 4.28Å; N246-L249 HydrophobicContact CB-CD2 4.32Å; N246-S250 VanDerWaalsContact O-CB 3.24Å; N246-S250 WeakPolarHBondContact O-CB 3.35Å; N246-S250 PolarHBondContact O-N 3.04Å; N246-H312 PolarHBondContact ND2-O 3.4Å; N246-N313 WeakPolarHBondContact CB-O 3.27Å; N246-N313 PolarHBondContact ND2-O 3.3Å; N246-Y315 HydrophobicContact CB-CD2 4.03Å; N246-Y315 HydrophobicContact CB-CE2 4.03Å | ||
| 247 | K | 86 | Confident | 85.7 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.7 | -41.7 | -177.5 | -67.5 | 174.6 | -174.7 | 158.7 | 0 | 112.7 | F211 D213 S215 T217 D243 D245 L249 S250 L251 | F211-K247 HydrophobicContact CD1-CB 4.36Å; F211-K247 HydrophobicContact CD1-CG 4.47Å; F211-K247 HydrophobicContact CD2-CD 4.43Å; F211-K247 HydrophobicContact CE1-CB 3.92Å; F211-K247 WeakPolarHBondContact CE1-O 3.39Å; F211-K247 HydrophobicContact CE2-CB 4.08Å; F211-K247 HydrophobicContact CZ-CB 3.78Å; F211-K247 VanDerWaalsContact CZ-O 3.32Å; F211-K247 WeakPolarHBondContact CZ-O 3.4Å; D213-K247 WeakPolarHBondContact O-CE 3.36Å; D213-K247 PolarHBondContact O-NZ 3.45Å; S215-K247 PolarHBondContact O-NZ 3.03Å; T217-K247 HydrophobicContact CG2-CB 4.37Å; D243-K247 VanDerWaalsContact CG-N 3.25Å; D243-K247 PolarHBondContact OD1-N 3.31Å; D243-K247 PolarHBondContact OD2-N 3.08Å; D245-K247 VanDerWaalsContact C-N 3.26Å; D245-K247 HydrophobicContact CB-CD 4.04Å; D245-K247 VanDerWaalsContact CB-CE 3.47Å; D245-K247 HydrophobicContact CB-CG 3.87Å; D245-K247 PolarHBondContact O-N 2.99Å; D245-K247 WeakPolarHBondContact OD2-CE 3.48Å; D245-K247 IonicContact OD2-NZ 3.73Å; D245-K247 PolarHBondContact OD2-NZ 3.28Å; K247-L249 VanDerWaalsContact C-N 3.31Å; K247-S250 PolarHBondContact O-N 3.32Å; K247-L251 WeakPolarHBondContact O-CB 3.13Å; K247-L251 PolarHBondContact O-N 3.39Å |
| 248 | A | 87.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T217 L221 L222 D243 S252 L264 | T217-A248 HydrophobicContact CG2-CB 4.34Å; L221-A248 HydrophobicContact CD2-CB 4.22Å; L221-A248 HydrophobicContact CG-CB 4.11Å; L222-A248 HydrophobicContact CD2-CB 4.06Å; L222-A248 HydrophobicContact CG-CB 4.41Å; D243-A248 HydrophobicContact CB-CB 4.37Å; D243-A248 VanDerWaalsContact CG-N 3.32Å; D243-A248 PolarHBondContact OD1-N 2.94Å; D243-A248 WeakPolarHBondContact OD2-CA 3.44Å; D243-A248 VanDerWaalsContact OD2-CB 3.3Å; D243-A248 WeakPolarHBondContact OD2-CB 3.36Å; D243-A248 PolarHBondContact OD2-N 2.8Å; A248-S252 WeakPolarHBondContact O-CB 3.32Å; A248-S252 PolarHBondContact O-N 3.47Å; A248-S252 PolarHBondContact O-OG 2.65Å; A248-L264 HydrophobicContact CB-CD1 4.46Å |
| 249 | L | 87.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 170.7 | -179.8 | 61.2 | 0 | 0 | 0 | 111.9 | D243 N246 K247 L251 S252 F253 V261 L264 L265 L268 A314 | D243-L249 PolarHBondContact OD2-N 2.92Å; D243-L249 VanDerWaalsContact OD2-N 3.15Å; N246-L249 HydrophobicContact CB-CB 4.28Å; N246-L249 HydrophobicContact CB-CD2 4.32Å; K247-L249 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 3.44Å; L249-S252 WeakPolarHBondContact O-CB 3.46Å; L249-S252 PolarHBondContact O-N 3.19Å; L249-S252 VanDerWaalsContact O-N 3.11Å; L249-F253 HydrophobicContact CD1-CD2 4.06Å; L249-F253 HydrophobicContact CD1-CE2 3.76Å; L249-F253 HydrophobicContact CD2-CE2 4.42Å; L249-F253 HydrophobicContact CG-CD2 4.03Å; L249-F253 HydrophobicContact CG-CE2 3.91Å; L249-F253 WeakPolarHBondContact O-CD2 3.31Å; L249-F253 PolarHBondContact O-N 3.03Å; L249-V261 HydrophobicContact CD1-CB 4.45Å; L249-V261 HydrophobicContact CD1-CG1 4.2Å; L249-V261 HydrophobicContact CD1-CG2 4.43Å; L249-L264 HydrophobicContact CB-CB 4.43Å; L249-L264 HydrophobicContact CB-CD1 4.19Å; L249-L264 HydrophobicContact CD1-CB 3.85Å; L249-L264 HydrophobicContact CD1-CD1 4.36Å; L249-L265 HydrophobicContact CD1-CD2 4.2Å; L249-L265 HydrophobicContact CD1-CG 4.06Å; L249-L265 HydrophobicContact CD2-CD2 3.75Å; L249-L265 HydrophobicContact CD2-CG 4.46Å; L249-L268 HydrophobicContact CD2-CD1 4.05Å; L249-A314 HydrophobicContact CD2-CB 3.73Å |
| 250 | S | 86.7 | Confident | 85.9 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.5 | -167.4 | 0 | 0 | 0 | 0 | 112.5 | N246 K247 S252 F253 S254 | N246-S250 VanDerWaalsContact O-CB 3.24Å; N246-S250 WeakPolarHBondContact O-CB 3.35Å; N246-S250 PolarHBondContact O-N 3.04Å; K247-S250 PolarHBondContact O-N 3.32Å; S250-S252 VanDerWaalsContact C-N 3.35Å; S250-F253 PolarHBondContact O-N 3.35Å; S250-S254 PolarHBondContact O-N 3.41Å |
| 251 | L | 88.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 173.1 | 179.8 | 66 | 0 | 0 | 0 | 112.3 | F209 F211 L222 C225 H226 K247 L249 S254 N255 | F209-L251 HydrophobicContact CB-CD1 4.45Å; F209-L251 HydrophobicContact CD1-CD1 3.5Å; F209-L251 HydrophobicContact CD1-CD2 3.77Å; F209-L251 HydrophobicContact CD1-CG 4.31Å; F209-L251 HydrophobicContact CE1-CD1 4.14Å; F209-L251 HydrophobicContact CE1-CD2 3.7Å; F209-L251 HydrophobicContact CG-CD1 4.28Å; F209-L251 HydrophobicContact CG-CD2 4.5Å; F209-L251 HydrophobicContact CZ-CD2 4.41Å; F211-L251 HydrophobicContact CE1-CB 4.22Å; F211-L251 HydrophobicContact CZ-CB 4.14Å; L222-L251 HydrophobicContact CD2-CD2 3.86Å; C225-L251 HydrophobicContact CB-CD2 4.49Å; H226-L251 HydrophobicContact CB-CD2 4.31Å; K247-L251 WeakPolarHBondContact O-CB 3.13Å; K247-L251 PolarHBondContact O-N 3.39Å; L249-L251 PolarHBondContact O-N 3.44Å; L251-S254 PolarHBondContact O-N 3.17Å; L251-S254 PolarHBondContact O-OG 3.01Å; L251-N255 WeakPolarHBondContact CD1-ND2 3.36Å; L251-N255 PolarHBondContact O-N 3.2Å; L251-N255 PolarHBondContact O-ND2 3.4Å |
| 252 | S | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -36.6 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | A248 L249 S250 K256 F257 I260 | A248-S252 WeakPolarHBondContact O-CB 3.32Å; A248-S252 PolarHBondContact O-N 3.47Å; A248-S252 PolarHBondContact O-OG 2.65Å; L249-S252 WeakPolarHBondContact O-CB 3.46Å; L249-S252 PolarHBondContact O-N 3.19Å; L249-S252 VanDerWaalsContact O-N 3.11Å; S250-S252 VanDerWaalsContact C-N 3.35Å; S252-K256 PolarHBondContact O-N 3.26Å; S252-F257 PolarHBondContact O-N 2.75Å; S252-I260 WeakPolarHBondContact OG-CG2 3.38Å |
| 253 | F | 86.7 | Confident | 86.5 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -47.2 | 170.5 | -88.8 | -59.5 | 0 | 0 | 0 | 112.8 | L249 S250 N255 K256 V261 L265 A314 M316 P317 W323 | L249-F253 HydrophobicContact CD1-CD2 4.06Å; L249-F253 HydrophobicContact CD1-CE2 3.76Å; L249-F253 HydrophobicContact CD2-CE2 4.42Å; L249-F253 HydrophobicContact CG-CD2 4.03Å; L249-F253 HydrophobicContact CG-CE2 3.91Å; L249-F253 WeakPolarHBondContact O-CD2 3.31Å; L249-F253 PolarHBondContact O-N 3.03Å; S250-F253 PolarHBondContact O-N 3.35Å; F253-N255 PolarHBondContact O-N 2.99Å; F253-K256 PolarHBondContact O-N 2.9Å; F253-K256 VanDerWaalsContact O-N 3.09Å; F253-V261 HydrophobicContact CD1-CG1 4.3Å; F253-V261 HydrophobicContact CD1-CG2 4.12Å; F253-V261 HydrophobicContact CD2-CG2 4.46Å; F253-V261 HydrophobicContact CE1-CG1 3.64Å; F253-V261 HydrophobicContact CE1-CG2 4.28Å; F253-V261 HydrophobicContact CE2-CG1 4.02Å; F253-V261 HydrophobicContact CG-CG2 4.19Å; F253-V261 HydrophobicContact CZ-CG1 3.47Å; F253-V261 VanDerWaalsContact CZ-CG1 3.47Å; F253-L265 HydrophobicContact CZ-CD1 4.42Å; F253-A314 WeakPolarHBondContact CE2-O 3.16Å; F253-M316 HydrophobicContact CE2-CG 3.8Å; F253-M316 HydrophobicContact CZ-CB 4.37Å; F253-M316 HydrophobicContact CZ-CG 3.77Å; F253-P317 HydrophobicContact CD1-CG 4.48Å; F253-W323 AromaticContact CE1-CH2 3.57Å; F253-W323 HydrophobicContact CE1-CH2 3.57Å; F253-W323 HydrophobicContact CE1-CZ2 4.09Å; F253-W323 HydrophobicContact CE1-CZ3 4.22Å; F253-W323 AromaticContact CZ-CH2 3.82Å; F253-W323 HydrophobicContact CZ-CH2 3.82Å; F253-W323 HydrophobicContact CZ-CZ2 4.47Å; F253-W323 HydrophobicContact CZ-CZ3 4.01Å |
| 254 | S | 85.1 | Confident | 86.6 | Confident | 67 Ų | 67 | 41 Ų | 41 | 47% | 0.469 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -32.8 | -179.2 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | S250 L251 | S250-S254 PolarHBondContact O-N 3.41Å; L251-S254 PolarHBondContact O-N 3.17Å; L251-S254 PolarHBondContact O-OG 3.01Å |
| 255 | N | 85.2 | Confident | 87.1 | Confident | 67 Ų | 67 | 36.9 Ų | 36.9 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -0.5 | 177.5 | -65.4 | -70.5 | 0 | 0 | 0 | 114.3 | L251 F253 F257 | L251-N255 WeakPolarHBondContact CD1-ND2 3.36Å; L251-N255 PolarHBondContact O-N 3.2Å; L251-N255 PolarHBondContact O-ND2 3.4Å; F253-N255 PolarHBondContact O-N 2.99Å; N255-F257 VanDerWaalsContact C-N 3.34Å; N255-F257 HydrophobicContact CB-CD1 4.13Å; N255-F257 HydrophobicContact CB-CD2 3.81Å; N255-F257 HydrophobicContact CB-CE1 3.85Å; N255-F257 HydrophobicContact CB-CE2 3.51Å; N255-F257 HydrophobicContact CB-CG 4.12Å; N255-F257 HydrophobicContact CB-CZ 3.54Å; N255-F257 WeakPolarHBondContact O-CD1 3.5Å; N255-F257 PolarHBondContact O-N 2.68Å |
| 256 | K | 85.7 | Confident | 87.6 | Confident | 186 Ų | 186 | 33.6 Ų | 33.6 | 81% | 0.809 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 32 | 179.7 | -51.6 | 178.4 | -178.6 | 177.4 | 0 | 114.8 | S252 F253 S258 | S252-K256 PolarHBondContact O-N 3.26Å; F253-K256 PolarHBondContact O-N 2.9Å; F253-K256 VanDerWaalsContact O-N 3.09Å; K256-S258 VanDerWaalsContact C-N 3.34Å; K256-S258 PolarHBondContact O-N 2.87Å |
| 257 | F | 90 | Very high | 87.6 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 18% | 0.184 | 19% | 0.186 | C | C | . | . | trans | -79.2 | 77.6 | 180 | -60.8 | -27.4 | 0 | 0 | 0 | 111.8 | C225 N228 S252 N255 D259 I260 V261 | C225-F257 VanDerWaalsContact O-CD2 3.25Å; C225-F257 WeakPolarHBondContact O-CD2 3.44Å; C225-F257 WeakPolarHBondContact O-CE2 3.35Å; N228-F257 HydrophobicContact CB-CD1 4.13Å; N228-F257 HydrophobicContact CB-CD2 4.16Å; N228-F257 HydrophobicContact CB-CE1 3.93Å; N228-F257 HydrophobicContact CB-CE2 3.96Å; N228-F257 HydrophobicContact CB-CG 4.25Å; N228-F257 HydrophobicContact CB-CZ 3.84Å; N228-F257 WeakPolarHBondContact OD1-CG 3.25Å; S252-F257 PolarHBondContact O-N 2.75Å; N255-F257 VanDerWaalsContact C-N 3.34Å; N255-F257 HydrophobicContact CB-CD1 4.13Å; N255-F257 HydrophobicContact CB-CD2 3.81Å; N255-F257 HydrophobicContact CB-CE1 3.85Å; N255-F257 HydrophobicContact CB-CE2 3.51Å; N255-F257 HydrophobicContact CB-CG 4.12Å; N255-F257 HydrophobicContact CB-CZ 3.54Å; N255-F257 WeakPolarHBondContact O-CD1 3.5Å; N255-F257 PolarHBondContact O-N 2.68Å; F257-D259 VanDerWaalsContact C-N 3.33Å; F257-D259 PolarHBondContact O-N 2.86Å; F257-I260 HydrophobicContact CB-CB 4.18Å; F257-I260 HydrophobicContact CB-CD1 4.41Å; F257-I260 HydrophobicContact CB-CG1 4.44Å; F257-I260 PolarHBondContact O-N 3.33Å; F257-I260 VanDerWaalsContact O-N 3.17Å; F257-V261 WeakPolarHBondContact O-CG2 3.31Å; F257-V261 PolarHBondContact O-N 2.8Å | ||
| 258 | S | 85 | Confident | 87.5 | Confident | 62 Ų | 62 | 36.6 Ų | 36.6 | 43% | 0.434 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -45.1 | -49 | -174.9 | -177.8 | 0 | 0 | 0 | 0 | 114.5 | K256 V261 T262 | K256-S258 VanDerWaalsContact C-N 3.34Å; K256-S258 PolarHBondContact O-N 2.87Å; S258-V261 PolarHBondContact O-N 3.26Å; S258-T262 WeakPolarHBondContact O-CB 3.4Å; S258-T262 PolarHBondContact O-N 2.79Å; S258-T262 PolarHBondContact O-OG1 3.07Å |
| 259 | D | 86.4 | Confident | 87.5 | Confident | 101 Ų | 101 | 36.9 Ų | 36.9 | 54% | 0.54 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71 | -36.6 | -173.2 | -53 | -32.3 | 0 | 0 | 0 | 111.7 | V230 F257 T262 K263 | V230-D259 HydrophobicContact CG1-CB 4.44Å; V230-D259 HydrophobicContact CG2-CB 3.82Å; F257-D259 VanDerWaalsContact C-N 3.33Å; F257-D259 PolarHBondContact O-N 2.86Å; D259-T262 PolarHBondContact O-N 3.48Å; D259-K263 PolarHBondContact O-N 2.76Å |
| 260 | I | 89.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.9 | -44.6 | 176.3 | -60.8 | -173.8 | 0 | 0 | 0 | 110.7 | C225 N228 V230 V233 S252 F257 T262 K263 L264 | C225-I260 HydrophobicContact CB-CG2 4.37Å; N228-I260 WeakPolarHBondContact OD1-CD1 3.46Å; V230-I260 HydrophobicContact CG2-CD1 4.48Å; V230-I260 HydrophobicContact CG2-CG1 3.85Å; V233-I260 HydrophobicContact CG1-CG2 4.33Å; V233-I260 HydrophobicContact CG2-CD1 4.24Å; V233-I260 HydrophobicContact CG2-CG2 4.23Å; S252-I260 WeakPolarHBondContact OG-CG2 3.38Å; F257-I260 HydrophobicContact CB-CB 4.18Å; F257-I260 HydrophobicContact CB-CD1 4.41Å; F257-I260 HydrophobicContact CB-CG1 4.44Å; F257-I260 PolarHBondContact O-N 3.33Å; F257-I260 VanDerWaalsContact O-N 3.17Å; I260-T262 VanDerWaalsContact C-N 3.26Å; I260-T262 PolarHBondContact O-N 3.44Å; I260-K263 PolarHBondContact O-N 3.34Å; I260-L264 HydrophobicContact CG2-CD1 3.81Å; I260-L264 HydrophobicContact CG2-CG 4.31Å; I260-L264 WeakPolarHBondContact O-CB 3.46Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.12Å |
| 261 | V | 89.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.2 | -47.5 | 170.8 | 166.2 | 0 | 0 | 0 | 0 | 110 | L249 F253 F257 S258 K263 L264 L265 W323 | L249-V261 HydrophobicContact CD1-CB 4.45Å; L249-V261 HydrophobicContact CD1-CG1 4.2Å; L249-V261 HydrophobicContact CD1-CG2 4.43Å; F253-V261 HydrophobicContact CD1-CG1 4.3Å; F253-V261 HydrophobicContact CD1-CG2 4.12Å; F253-V261 HydrophobicContact CD2-CG2 4.46Å; F253-V261 HydrophobicContact CE1-CG1 3.64Å; F253-V261 HydrophobicContact CE1-CG2 4.28Å; F253-V261 HydrophobicContact CE2-CG1 4.02Å; F253-V261 HydrophobicContact CG-CG2 4.19Å; F253-V261 HydrophobicContact CZ-CG1 3.47Å; F253-V261 VanDerWaalsContact CZ-CG1 3.47Å; F257-V261 WeakPolarHBondContact O-CG2 3.31Å; F257-V261 PolarHBondContact O-N 2.8Å; S258-V261 PolarHBondContact O-N 3.26Å; V261-K263 PolarHBondContact O-N 3.14Å; V261-L264 PolarHBondContact O-N 2.93Å; V261-L265 HydrophobicContact CG1-CD1 3.72Å; V261-L265 HydrophobicContact CG1-CG 4.26Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 VanDerWaalsContact O-CG 3.24Å; V261-L265 WeakPolarHBondContact O-CG 3.43Å; V261-L265 PolarHBondContact O-N 2.83Å; V261-W323 HydrophobicContact CG1-CZ2 4.14Å |
| 262 | T | 88.8 | Confident | 86.9 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | -178.6 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | S258 D259 I260 S266 E326 | S258-T262 WeakPolarHBondContact O-CB 3.4Å; S258-T262 PolarHBondContact O-N 2.79Å; S258-T262 PolarHBondContact O-OG1 3.07Å; D259-T262 PolarHBondContact O-N 3.48Å; I260-T262 VanDerWaalsContact C-N 3.26Å; I260-T262 PolarHBondContact O-N 3.44Å; T262-S266 PolarHBondContact O-N 3.31Å; T262-S266 PolarHBondContact O-OG 2.87Å; T262-E326 HydrophobicContact CG2-CB 3.82Å; T262-E326 HydrophobicContact CG2-CG 3.81Å |
| 263 | K | 87.9 | Confident | 86.2 | Confident | 48 Ų | 48 | 46.5 Ų | 46.5 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.5 | -36.7 | 177.6 | -69.7 | -48.4 | -165.2 | -172.8 | 0 | 114.2 | D259 I260 V261 S266 H267 E326 | D259-K263 PolarHBondContact O-N 2.76Å; I260-K263 PolarHBondContact O-N 3.34Å; V261-K263 PolarHBondContact O-N 3.14Å; K263-S266 WeakPolarHBondContact O-CB 3.49Å; K263-S266 PolarHBondContact O-N 3.27Å; K263-H267 PolarHBondContact O-CD2 2.9Å; K263-H267 PolarHBondContact O-N 3.23Å; K263-E326 IonicContact NZ-OE1 3.78Å; K263-E326 PolarHBondContact NZ-OE1 3.28Å |
| 264 | L | 89.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 172.6 | -72.2 | 170.4 | 0 | 0 | 0 | 111 | L221 V233 L237 A248 L249 I260 V261 S266 H267 | L221-L264 HydrophobicContact CD1-CD2 4.49Å; L221-L264 HydrophobicContact CD2-CD2 4.43Å; V233-L264 HydrophobicContact CG1-CD2 4.48Å; L237-L264 HydrophobicContact CD1-CD2 3.99Å; L237-L264 HydrophobicContact CD2-CD2 4.19Å; A248-L264 HydrophobicContact CB-CD1 4.46Å; L249-L264 HydrophobicContact CB-CB 4.43Å; L249-L264 HydrophobicContact CB-CD1 4.19Å; L249-L264 HydrophobicContact CD1-CB 3.85Å; L249-L264 HydrophobicContact CD1-CD1 4.36Å; I260-L264 HydrophobicContact CG2-CD1 3.81Å; I260-L264 HydrophobicContact CG2-CG 4.31Å; I260-L264 WeakPolarHBondContact O-CB 3.46Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.12Å; V261-L264 PolarHBondContact O-N 2.93Å; L264-S266 VanDerWaalsContact C-N 3.27Å; L264-S266 PolarHBondContact O-N 3.35Å; L264-H267 PolarHBondContact O-N 3.03Å; L264-H267 VanDerWaalsContact O-N 3.16Å |
| 265 | L | 89.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -31.6 | 173.3 | -71.5 | 175.6 | 0 | 0 | 0 | 112.9 | L249 F253 V261 H267 L268 V269 W311 A314 M316 W323 | L249-L265 HydrophobicContact CD1-CD2 4.2Å; L249-L265 HydrophobicContact CD1-CG 4.06Å; L249-L265 HydrophobicContact CD2-CD2 3.75Å; L249-L265 HydrophobicContact CD2-CG 4.46Å; F253-L265 HydrophobicContact CZ-CD1 4.42Å; V261-L265 HydrophobicContact CG1-CD1 3.72Å; V261-L265 HydrophobicContact CG1-CG 4.26Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 VanDerWaalsContact O-CG 3.24Å; V261-L265 WeakPolarHBondContact O-CG 3.43Å; V261-L265 PolarHBondContact O-N 2.83Å; L265-H267 VanDerWaalsContact C-N 3.33Å; L265-L268 PolarHBondContact O-N 3.03Å; L265-V269 VanDerWaalsContact O-CG2 3.32Å; L265-V269 WeakPolarHBondContact O-CG2 3.27Å; L265-W311 HydrophobicContact CB-CZ2 3.97Å; L265-W311 HydrophobicContact CD1-CZ2 4.36Å; L265-W311 HydrophobicContact CD2-CD2 3.89Å; L265-W311 HydrophobicContact CD2-CG 3.84Å; L265-W311 PolarHBondContact O-NE1 2.94Å; L265-A314 HydrophobicContact CD2-CB 4.39Å; L265-M316 HydrophobicContact CD2-SD 4.18Å; L265-W323 HydrophobicContact CD1-CB 4.12Å; L265-W323 HydrophobicContact CD1-CD2 3.55Å; L265-W323 HydrophobicContact CD1-CE3 3.45Å; L265-W323 VanDerWaalsContact CD1-CE3 3.45Å; L265-W323 HydrophobicContact CD1-CG 3.84Å; L265-W323 HydrophobicContact CD1-CZ3 4.11Å |
| 266 | S | 87.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -31.5 | 175.2 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | T262 K263 L264 L268 V269 Y330 | T262-S266 PolarHBondContact O-N 3.31Å; T262-S266 PolarHBondContact O-OG 2.87Å; K263-S266 WeakPolarHBondContact O-CB 3.49Å; K263-S266 PolarHBondContact O-N 3.27Å; L264-S266 VanDerWaalsContact C-N 3.27Å; L264-S266 PolarHBondContact O-N 3.35Å; S266-L268 PolarHBondContact O-N 3.01Å; S266-V269 WeakPolarHBondContact O-CB 3.42Å; S266-V269 WeakPolarHBondContact O-CG2 3.39Å; S266-Y330 VanDerWaalsContact O-CD1 3.23Å; S266-Y330 WeakPolarHBondContact O-CD1 3.47Å; S266-Y330 WeakPolarHBondContact O-CE1 3.39Å |
| 267 | H | 86 | Confident | 84.7 | Confident | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -7.3 | 176.4 | -88.3 | -95.9 | 0 | 0 | 0 | 113.7 | K263 L264 L265 V269 Y330 | K263-H267 PolarHBondContact O-CD2 2.9Å; K263-H267 PolarHBondContact O-N 3.23Å; L264-H267 PolarHBondContact O-N 3.03Å; L264-H267 VanDerWaalsContact O-N 3.16Å; L265-H267 VanDerWaalsContact C-N 3.33Å; H267-V269 VanDerWaalsContact C-N 3.31Å; H267-Y330 PolarHBondContact CE1-OH 3.45Å |
| 268 | L | 85.8 | Confident | 84.2 | Confident | 36 Ų | 36 | 37.9 Ų | 37.9 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 31 | 175.3 | -61.7 | 178.1 | 0 | 0 | 0 | 112.2 | L249 L265 S266 N310 | L249-L268 HydrophobicContact CD2-CD1 4.05Å; L265-L268 PolarHBondContact O-N 3.03Å; S266-L268 PolarHBondContact O-N 3.01Å; L268-N310 PolarHBondContact O-N 2.83Å |
| 269 | V | 86.6 | Confident | 83.6 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132 | -170.5 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | L265 S266 H267 V307 I308 A327 L331 | L265-V269 VanDerWaalsContact O-CG2 3.32Å; L265-V269 WeakPolarHBondContact O-CG2 3.27Å; S266-V269 WeakPolarHBondContact O-CB 3.42Å; S266-V269 WeakPolarHBondContact O-CG2 3.39Å; H267-V269 VanDerWaalsContact C-N 3.31Å; V269-V307 HydrophobicContact CG1-CG1 3.27Å; V269-I308 WeakPolarHBondContact CA-O 3.3Å; V269-A327 HydrophobicContact CG1-CB 4.29Å; V269-A327 HydrophobicContact CG2-CB 3.66Å; V269-L331 HydrophobicContact CG1-CD1 3.9Å; V269-L331 HydrophobicContact CG1-CG 4.4Å |
| 270 | F | 85.6 | Confident | 82.6 | Confident | 74 Ų | 74 | 41 Ų | 41 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 159.3 | -169.9 | -52.7 | -87.1 | 0 | 0 | 0 | 110.7 | V307 I308 N310 L331 F1793 | F270-V307 WeakPolarHBondContact O-CA 3.32Å; F270-I308 HydrophobicContact CB-CB 4.37Å; F270-I308 PolarHBondContact N-O 2.91Å; F270-I308 PolarHBondContact O-N 2.98Å; F270-N310 HydrophobicContact CD2-CB 4.32Å; F270-N310 HydrophobicContact CE2-CB 4.11Å; F270-L331 WeakPolarHBondContact O-CD1 3.34Å; F270-F1793 HydrophobicContact CB-CE2 4.5Å; F270-F1793 HydrophobicContact CD1-CD2 4.42Å; F270-F1793 HydrophobicContact CG-CE2 4.48Å |
| 271 | V | 84 | Confident | 81.4 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 42% | 0.418 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 142.7 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | P273 T305 S306 L331 | V271-P273 WeakPolarHBondContact O-CD 3.41Å; V271-T305 HydrophobicContact CB-CG2 4.34Å; V271-T305 HydrophobicContact CG1-CG2 3.87Å; V271-T305 HydrophobicContact CG2-CG2 3.71Å; V271-S306 WeakPolarHBondContact CA-O 3.3Å; V271-L331 HydrophobicContact CG2-CD1 4.09Å; V271-L331 HydrophobicContact CG2-CD2 4.4Å |
| 272 | D | 80.4 | Confident | 80.2 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -94.3 | 107.9 | 175.6 | -160.7 | -16.9 | 0 | 0 | 0 | 111.9 | E274 Y275 S306 I308 T351 R352 | D272-E274 PolarHBondContact OD1-N 2.76Å; D272-Y275 WeakPolarHBondContact OD2-CD2 3.42Å; D272-S306 PolarHBondContact N-O 3.49Å; D272-S306 VanDerWaalsContact N-O 3.09Å; D272-S306 PolarHBondContact O-OG 2.81Å; D272-I308 HydrophobicContact CB-CD1 4.09Å; D272-I308 HydrophobicContact CB-CG1 3.52Å; D272-T351 WeakPolarHBondContact CB-OG1 3.34Å; D272-T351 VanDerWaalsContact CG-OG1 3.3Å; D272-T351 VanDerWaalsContact OD2-CB 3.28Å; D272-T351 WeakPolarHBondContact OD2-CB 3.45Å; D272-T351 PolarHBondContact OD2-OG1 3.19Å; D272-R352 IonicContact OD1-CZ 2.85Å; D272-R352 IonicContact OD1-NH1 3.76Å; D272-R352 PolarHBondContact OD1-NH1 2.99Å; D272-R352 VanDerWaalsContact OD2-CD 3.26Å; D272-R352 WeakPolarHBondContact OD2-CD 3.32Å; D272-R352 VanDerWaalsContact OD2-CG 3.3Å; D272-R352 WeakPolarHBondContact OD2-CG 3.1Å; D272-R352 IonicContact OD2-NH1 2.75Å | ||
| 273 | P | 74.8 | Confident | 78.7 | Confident | 78 Ų | 78 | 47 Ų | 47 | 51% | 0.506 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -78.9 | -16.3 | -177.3 | 33.5 | -36.8 | 0 | 0 | 0 | 113.7 | V271 F1793 | V271-P273 WeakPolarHBondContact O-CD 3.41Å; P273-F1793 HydrophobicContact CG-CD1 4.44Å; P273-F1793 HydrophobicContact CG-CE1 4.07Å |
| 274 | E | 70.6 | Confident | 77.3 | Confident | 103 Ų | 103 | 45.5 Ų | 45.5 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -95.4 | -18.3 | -177.2 | -67.7 | -170.8 | 121.8 | 0 | 0 | 113.6 | D272 R352 | D272-E274 PolarHBondContact OD1-N 2.76Å; E274-R352 IonicContact OE2-CZ 3.23Å; E274-R352 IonicContact OE2-NH1 3.54Å; E274-R352 PolarHBondContact OE2-NH1 3.14Å; E274-R352 IonicContact OE2-NH2 2.69Å; E274-R352 PolarHBondContact OE2-NH2 3.43Å |
| 275 | Y | 78.5 | Confident | 75.6 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | trans | -137.7 | 125.6 | -169.1 | -63.4 | -51.6 | 0 | 0 | 0 | 112.1 | D272 S306 R352 R374 I375 E407 | D272-Y275 WeakPolarHBondContact OD2-CD2 3.42Å; Y275-S306 WeakPolarHBondContact O-CB 3.44Å; Y275-S306 PolarHBondContact O-OG 2.88Å; Y275-R352 HydrophobicContact CD2-CG 4.34Å; Y275-R374 HydrophobicContact CD2-CB 4.23Å; Y275-R374 VanDerWaalsContact CE1-NH1 3.26Å; Y275-R374 HydrophobicContact CE2-CB 3.96Å; Y275-I375 HydrophobicContact CE2-CD1 4.47Å; Y275-I375 HydrophobicContact CE2-CG1 4.5Å; Y275-E407 PolarHBondContact OH-OE2 3.28Å | ||
| 276 | S | 80.5 | Confident | 73.7 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | trans | -83.3 | 162.9 | 172.8 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 277 | V | 82.2 | Confident | 72.1 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | trans | -67.4 | 127.4 | 173.3 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | K279 M282 P303 | V277-K279 VanDerWaalsContact C-N 3.33Å; V277-K279 HydrophobicContact CG1-CG 4.22Å; V277-K279 PolarHBondContact O-N 2.86Å; V277-M282 HydrophobicContact CG1-CE 3.17Å; V277-P303 HydrophobicContact CG1-CG 4.25Å | ||
| 278 | N | 78.5 | Confident | 70.5 | Confident | 33 Ų | 33 | 60 Ų | 60 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | trans | -79 | 74.4 | 178.4 | -177.5 | 17.2 | 0 | 0 | 0 | 112 | R280 A281 S371 S372 C404 C405 | N278-R280 VanDerWaalsContact C-N 3.3Å; N278-R280 PolarHBondContact O-N 3.41Å; N278-A281 WeakPolarHBondContact ND2-CB 3.4Å; N278-A281 PolarHBondContact O-N 3.23Å; N278-S371 PolarHBondContact ND2-O 3.4Å; N278-S371 VanDerWaalsContact ND2-O 3.12Å; N278-S372 WeakPolarHBondContact CB-OG 3.45Å; N278-S372 PolarHBondContact N-OG 3.36Å; N278-C404 PolarHBondContact ND2-SG 3.27Å; N278-C405 PolarHBondContact ND2-SG 3.36Å | ||
| 279 | K | 73.3 | Confident | 68.7 | Low | 12 Ų | 12 | 65.7 Ų | 65.7 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -59.4 | -37.5 | -179 | -66.4 | 173 | -177.5 | 174.5 | 0 | 113.3 | V277 A281 M282 Y302 E1953 D1954 | V277-K279 VanDerWaalsContact C-N 3.33Å; V277-K279 HydrophobicContact CG1-CG 4.22Å; V277-K279 PolarHBondContact O-N 2.86Å; K279-A281 PolarHBondContact O-N 3.29Å; K279-M282 HydrophobicContact CG-CE 4.34Å; K279-M282 WeakPolarHBondContact O-CB 3.37Å; K279-M282 PolarHBondContact O-N 3.18Å; K279-Y302 HydrophobicContact CB-CD1 4.04Å; K279-Y302 HydrophobicContact CB-CE1 4.24Å; K279-Y302 HydrophobicContact CB-CG 4.48Å; K279-Y302 HydrophobicContact CD-CD1 4.5Å; K279-Y302 HydrophobicContact CD-CD2 4.46Å; K279-Y302 HydrophobicContact CD-CG 4.12Å; K279-Y302 HydrophobicContact CG-CD1 3.98Å; K279-Y302 HydrophobicContact CG-CG 4.05Å; K279-E1953 HydrophobicContact CB-CG 4.33Å; K279-E1953 WeakPolarHBondContact CB-OE1 3.42Å; K279-E1953 HydrophobicContact CD-CB 4.01Å; K279-E1953 HydrophobicContact CD-CG 3.88Å; K279-D1954 IonicContact NZ-OD1 2.7Å; K279-D1954 IonicContact NZ-OD2 2.74Å; K279-D1954 PolarHBondContact NZ-OD2 2.83Å |
| 280 | R | 66.1 | Low | 66.7 | Low | 218 Ų | 218 | 73 Ų | 73 | 82% | 0.823 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -59.3 | -17.1 | 177.4 | -63.2 | -175.9 | -177.4 | -176.7 | -1.8 | 115.1 | N278 E1953 | N278-R280 VanDerWaalsContact C-N 3.3Å; N278-R280 PolarHBondContact O-N 3.41Å; R280-E1953 WeakPolarHBondContact CG-OE2 3.2Å; R280-E1953 IonicContact NE-OE2 2.72Å; R280-E1953 PolarHBondContact NE-OE2 2.73Å |
| 281 | A | 63.7 | Low | 64.4 | Low | 37 Ų | 37 | 72.2 Ų | 72.2 | 31% | 0.306 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -98.3 | 5.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N278 K279 | N278-A281 WeakPolarHBondContact ND2-CB 3.4Å; N278-A281 PolarHBondContact O-N 3.23Å; K279-A281 PolarHBondContact O-N 3.29Å |
| 282 | M | 65.5 | Low | 62 | Low | 18 Ų | 18 | 72.9 Ų | 72.9 | 9% | 0.089 | 40% | 0.403 | C | S | . | . | trans | -99.3 | 101.9 | 176.3 | -55.2 | -165.6 | -143.8 | 0 | 0 | 111 | V277 K279 L284 Y302 P303 V345 S348 | V277-M282 HydrophobicContact CG1-CE 3.17Å; K279-M282 HydrophobicContact CG-CE 4.34Å; K279-M282 WeakPolarHBondContact O-CB 3.37Å; K279-M282 PolarHBondContact O-N 3.18Å; M282-L284 PolarHBondContact O-N 3.49Å; M282-L284 VanDerWaalsContact O-N 3.16Å; M282-Y302 HydrophobicContact CB-CE1 4.39Å; M282-Y302 HydrophobicContact SD-CD1 4.1Å; M282-P303 HydrophobicContact CE-CG 4.08Å; M282-V345 HydrophobicContact SD-CG1 3.81Å; M282-S348 VanDerWaalsContact CE-CB 3.45Å; M282-S348 VanDerWaalsContact SD-CB 3.57Å | ||
| 283 | N | 56.7 | Low | 59.8 | Low | 97 Ų | 97 | 76.6 Ų | 76.6 | 52% | 0.519 | 44% | 0.442 | S | S | . | . | trans | -75.1 | 105.7 | 175.2 | -172.3 | -23.1 | 0 | 0 | 0 | 111.3 | E285 | N283-E285 WeakPolarHBondContact OD1-CB 3.14Å; N283-E285 WeakPolarHBondContact OD1-CG 3.31Å; N283-E285 PolarHBondContact OD1-N 3.29Å | ||
| 284 | L | 58.5 | Low | 58.2 | Low | 15 Ų | 15 | 83.7 Ų | 83.7 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | trans | -87.5 | -5.6 | 178.4 | -68.3 | -174 | 0 | 0 | 0 | 115.4 | M282 S286 I287 F288 L301 Y302 V345 | M282-L284 PolarHBondContact O-N 3.49Å; M282-L284 VanDerWaalsContact O-N 3.16Å; L284-S286 PolarHBondContact O-N 2.77Å; L284-S286 VanDerWaalsContact O-N 3.16Å; L284-I287 HydrophobicContact CD2-CD1 4.02Å; L284-I287 PolarHBondContact O-N 3.36Å; L284-F288 HydrophobicContact CB-CD2 4.25Å; L284-F288 HydrophobicContact CB-CE2 4.18Å; L284-F288 HydrophobicContact CD1-CE2 4.39Å; L284-F288 PolarHBondContact O-N 3.13Å; L284-L301 HydrophobicContact CD1-CB 4.07Å; L284-Y302 HydrophobicContact CD1-CD1 4.37Å; L284-Y302 HydrophobicContact CD1-CE1 3.62Å; L284-Y302 HydrophobicContact CD1-CE2 4.12Å; L284-Y302 VanDerWaalsContact CD1-CZ 3.47Å; L284-Y302 WeakPolarHBondContact CD1-OH 3.22Å; L284-Y302 HydrophobicContact CG-CE1 4.08Å; L284-V345 HydrophobicContact CD2-CG1 4.35Å; L284-V345 HydrophobicContact CD2-CG2 4.41Å | ||
| 285 | E | 53 | Low | 56.8 | Low | 141 Ų | 141 | 85 Ų | 85 | 66% | 0.659 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.7 | -37.8 | -176.2 | -66.7 | -173.3 | 119.1 | 0 | 0 | 112 | N283 I287 F288 L289 | N283-E285 WeakPolarHBondContact OD1-CB 3.14Å; N283-E285 WeakPolarHBondContact OD1-CG 3.31Å; N283-E285 PolarHBondContact OD1-N 3.29Å; E285-I287 PolarHBondContact O-N 2.92Å; E285-F288 PolarHBondContact O-N 2.88Å; E285-L289 WeakPolarHBondContact O-CG 3.31Å; E285-L289 PolarHBondContact O-N 2.67Å |
| 286 | S | 50.2 | Low | 55.2 | Low | 60 Ų | 60 | 87.6 Ų | 87.6 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -22.1 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | L284 | L284-S286 PolarHBondContact O-N 2.77Å; L284-S286 VanDerWaalsContact O-N 3.16Å |
| 287 | I | 54.5 | Low | 53.5 | Low | 44 Ų | 44 | 90.1 Ų | 90.1 | 23% | 0.226 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -87.4 | -41.5 | 177.3 | -63.3 | -172 | 0 | 0 | 0 | 110.8 | L284 E285 L289 M290 L301 V345 | L284-I287 HydrophobicContact CD2-CD1 4.02Å; L284-I287 PolarHBondContact O-N 3.36Å; E285-I287 PolarHBondContact O-N 2.92Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 PolarHBondContact O-N 2.76Å; I287-M290 PolarHBondContact O-N 2.91Å; I287-L301 HydrophobicContact CG2-CD2 4.47Å; I287-V345 HydrophobicContact CD1-CG2 3.9Å |
| 288 | F | 50.8 | Low | 51.8 | Low | 135 Ų | 135 | 92.6 Ų | 92.6 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.8 | -34.1 | 177.5 | -79.2 | -79.3 | 0 | 0 | 0 | 112.9 | L284 E285 M290 G291 L301 | L284-F288 HydrophobicContact CB-CD2 4.25Å; L284-F288 HydrophobicContact CB-CE2 4.18Å; L284-F288 HydrophobicContact CD1-CE2 4.39Å; L284-F288 PolarHBondContact O-N 3.13Å; E285-F288 PolarHBondContact O-N 2.88Å; F288-M290 PolarHBondContact O-N 2.88Å; F288-G291 PolarHBondContact O-N 2.89Å; F288-L301 HydrophobicContact CE1-CD1 4.34Å; F288-L301 HydrophobicContact CE2-CD1 4.21Å; F288-L301 HydrophobicContact CZ-CD1 3.62Å |
| 289 | L | 48.7 | Very low | 50.3 | Low | 155 Ų | 155 | 95.5 Ų | 95.5 | 81% | 0.812 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -14.3 | 176.5 | -74.4 | 166.6 | 0 | 0 | 0 | 114.6 | E285 I287 | E285-L289 WeakPolarHBondContact O-CG 3.31Å; E285-L289 PolarHBondContact O-N 2.67Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 PolarHBondContact O-N 2.76Å |
| 290 | M | 43.8 | Very low | 49.5 | Very low | 161 Ų | 161 | 97.6 Ų | 97.6 | 79% | 0.793 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -10.9 | -178.9 | -72.9 | -80.7 | -165.5 | 0 | 0 | 113.9 | I287 F288 | I287-M290 PolarHBondContact O-N 2.91Å; F288-M290 PolarHBondContact O-N 2.88Å |
| 291 | G | 38.7 | Very low | 49.3 | Very low | 57 Ų | 57 | 88.4 Ų | 88.4 | 59% | 0.588 | 54% | 0.537 | S | S | * | . | trans | -106.9 | 96.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115 | F288 G293 | F288-G291 PolarHBondContact O-N 2.89Å; G291-G293 PolarHBondContact O-N 3.33Å; G291-G293 VanDerWaalsContact O-N 3.08Å | ||
| 292 | G | 34 | Very low | 49.5 | Very low | 83 Ų | 83 | 89 Ų | 89 | 86% | 0.856 | 53% | 0.532 | S | S | * | . | trans | -68.2 | 102 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R294 | G292-R294 PolarHBondContact O-N 3.33Š| ||
| 293 | G | 33.7 | Very low | 49.9 | Very low | 82 Ų | 82 | 88.1 Ų | 88.1 | 85% | 0.845 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 73.4 | 31.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | G291 | G291-G293 PolarHBondContact O-N 3.33Å; G291-G293 VanDerWaalsContact O-N 3.08Å |
| 294 | R | 40 | Very low | 50.8 | Low | 227 Ų | 227 | 86.7 Ų | 86.7 | 86% | 0.857 | 53% | 0.525 | S | S | * | . | trans | -127.2 | 134.6 | 166.8 | -71.3 | -171.3 | 175.1 | -168.4 | -1.9 | 111.4 | G292 V296 | G292-R294 PolarHBondContact O-N 3.33Å; R294-V296 PolarHBondContact O-N 3.12Å | ||
| 295 | S | 41 | Very low | 52 | Low | 131 Ų | 131 | 88 Ų | 88 | 92% | 0.916 | 53% | 0.533 | S | S | * | . | trans | -66.8 | 127.6 | 171 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 296 | V | 46 | Very low | 53.7 | Low | 81 Ų | 81 | 81.8 Ų | 81.8 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | trans | -126.5 | 130.8 | 176.2 | -177 | 0 | 0 | 0 | 0 | 107.3 | R294 A300 L301 | R294-V296 PolarHBondContact O-N 3.12Å; V296-A300 HydrophobicContact CG1-CB 4.26Å; V296-L301 HydrophobicContact CB-CD1 4.42Å; V296-L301 HydrophobicContact CG1-CD1 4.22Å; V296-L301 HydrophobicContact CG1-CG 4.14Å | ||
| 297 | V | 44.1 | Very low | 55.6 | Low | 95 Ų | 95 | 79 Ų | 79 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | trans | -67.6 | 134.7 | -177.3 | -149.4 | 0 | 0 | 0 | 0 | 109.5 | S299 A300 | V297-S299 PolarHBondContact O-N 3.11Å; V297-S299 VanDerWaalsContact O-N 3.14Å; V297-A300 WeakPolarHBondContact O-CB 3.43Å; V297-A300 PolarHBondContact O-N 3.25Å | ||
| 298 | P | 47.2 | Very low | 57.3 | Low | 62 Ų | 62 | 77.5 Ų | 77.5 | 40% | 0.403 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -55.9 | -32.5 | -178.4 | -29.5 | 36.4 | 0 | 0 | 0 | 114.5 | A300 L301 Y302 | P298-A300 PolarHBondContact O-N 3.22Å; P298-A300 VanDerWaalsContact O-N 3.15Å; P298-L301 PolarHBondContact O-N 3.3Å; P298-Y302 WeakPolarHBondContact O-CD2 3.47Å |
| 299 | S | 47.8 | Very low | 59.2 | Low | 95 Ų | 95 | 71.1 Ų | 71.1 | 66% | 0.664 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -65.9 | -8.8 | 174.9 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | V297 | V297-S299 PolarHBondContact O-N 3.11Å; V297-S299 VanDerWaalsContact O-N 3.14Å |
| 300 | A | 56.3 | Low | 61.1 | Low | 56 Ų | 56 | 66.4 Ų | 66.4 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -97.9 | -3.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V296 V297 P298 W335 | V296-A300 HydrophobicContact CG1-CB 4.26Å; V297-A300 WeakPolarHBondContact O-CB 3.43Å; V297-A300 PolarHBondContact O-N 3.25Å; P298-A300 PolarHBondContact O-N 3.22Å; P298-A300 VanDerWaalsContact O-N 3.15Å; A300-W335 WeakPolarHBondContact O-CZ2 3.31Å |
| 301 | L | 61.3 | Low | 63.4 | Low | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -1.5 | -176.4 | -77.4 | 165.9 | 0 | 0 | 0 | 114.3 | L284 I287 F288 V296 P298 W335 | L284-L301 HydrophobicContact CD1-CB 4.07Å; I287-L301 HydrophobicContact CG2-CD2 4.47Å; F288-L301 HydrophobicContact CE1-CD1 4.34Å; F288-L301 HydrophobicContact CE2-CD1 4.21Å; F288-L301 HydrophobicContact CZ-CD1 3.62Å; V296-L301 HydrophobicContact CB-CD1 4.42Å; V296-L301 HydrophobicContact CG1-CD1 4.22Å; V296-L301 HydrophobicContact CG1-CG 4.14Å; P298-L301 PolarHBondContact O-N 3.3Å; L301-W335 WeakPolarHBondContact O-CH2 3.49Å |
| 302 | Y | 68.4 | Low | 65.7 | Low | 49 Ų | 49 | 60 Ų | 60 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -123.6 | 146.9 | 164.1 | -54.4 | -80.9 | 0 | 0 | 0 | 110.7 | K279 M282 L284 P298 | K279-Y302 HydrophobicContact CB-CD1 4.04Å; K279-Y302 HydrophobicContact CB-CE1 4.24Å; K279-Y302 HydrophobicContact CB-CG 4.48Å; K279-Y302 HydrophobicContact CD-CD1 4.5Å; K279-Y302 HydrophobicContact CD-CD2 4.46Å; K279-Y302 HydrophobicContact CD-CG 4.12Å; K279-Y302 HydrophobicContact CG-CD1 3.98Å; K279-Y302 HydrophobicContact CG-CG 4.05Å; M282-Y302 HydrophobicContact CB-CE1 4.39Å; M282-Y302 HydrophobicContact SD-CD1 4.1Å; L284-Y302 HydrophobicContact CD1-CD1 4.37Å; L284-Y302 HydrophobicContact CD1-CE1 3.62Å; L284-Y302 HydrophobicContact CD1-CE2 4.12Å; L284-Y302 VanDerWaalsContact CD1-CZ 3.47Å; L284-Y302 WeakPolarHBondContact CD1-OH 3.22Å; L284-Y302 HydrophobicContact CG-CE1 4.08Å; P298-Y302 WeakPolarHBondContact O-CD2 3.47Å |
| 303 | P | 73.4 | Confident | 68.2 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -68.4 | 132.1 | 161 | 28.9 | -31.1 | 0 | 0 | 0 | 109.2 | V277 M282 N332 A349 | V277-P303 HydrophobicContact CG1-CG 4.25Å; M282-P303 HydrophobicContact CE-CG 4.08Å; P303-N332 HydrophobicContact CB-CB 4.36Å; P303-N332 WeakPolarHBondContact CB-OD1 3.38Å; P303-A349 HydrophobicContact CB-CB 3.85Å; P303-A349 HydrophobicContact CG-CB 3.93Å | ||
| 304 | S | 75.1 | Confident | 70.7 | Confident | 67 Ų | 67 | 54.3 Ų | 54.3 | 47% | 0.469 | 31% | 0.31 | S | S | . | . | trans | -95.1 | -29.9 | -179 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | N332 D1954 | S304-N332 PolarHBondContact N-OD1 3.35Å; S304-D1954 WeakPolarHBondContact CB-OD2 3.14Å | ||
| 305 | T | 84.7 | Confident | 72.7 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -90.9 | 114.5 | -177.4 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | V271 V307 L331 N332 | V271-T305 HydrophobicContact CB-CG2 4.34Å; V271-T305 HydrophobicContact CG1-CG2 3.87Å; V271-T305 HydrophobicContact CG2-CG2 3.71Å; T305-V307 WeakPolarHBondContact O-CG2 3.48Å; T305-L331 HydrophobicContact CG2-CB 4.09Å; T305-N332 PolarHBondContact N-OD1 3.16Å; T305-N332 VanDerWaalsContact N-OD1 3.11Å; T305-N332 PolarHBondContact O-ND2 2.9Å |
| 306 | S | 87.8 | Confident | 74.8 | Confident | 12 Ų | 12 | 41 Ų | 41 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -69.7 | 149.2 | 173.2 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | V271 D272 Y275 A349 | V271-S306 WeakPolarHBondContact CA-O 3.3Å; D272-S306 PolarHBondContact N-O 3.49Å; D272-S306 VanDerWaalsContact N-O 3.09Å; D272-S306 PolarHBondContact O-OG 2.81Å; Y275-S306 WeakPolarHBondContact O-CB 3.44Å; Y275-S306 PolarHBondContact O-OG 2.88Å; S306-A349 CarbonylContact C-O 3.51Å; S306-A349 WeakPolarHBondContact CA-O 3.33Å | ||
| 307 | V | 89.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 122.6 | -163.2 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | V269 F270 T305 V309 L331 A349 I350 T351 R352 | V269-V307 HydrophobicContact CG1-CG1 3.27Å; F270-V307 WeakPolarHBondContact O-CA 3.32Å; T305-V307 WeakPolarHBondContact O-CG2 3.48Å; V307-V309 HydrophobicContact CG1-CG2 4.11Å; V307-L331 HydrophobicContact CG1-CD1 4.28Å; V307-L331 HydrophobicContact CG2-CB 4.27Å; V307-L331 HydrophobicContact CG2-CD1 4.11Å; V307-A349 HydrophobicContact CG2-CB 3.91Å; V307-A349 PolarHBondContact N-O 2.92Å; V307-I350 HydrophobicContact CB-CG1 4.27Å; V307-I350 HydrophobicContact CG1-CG1 4.29Å; V307-I350 WeakPolarHBondContact O-CA 3.49Å; V307-T351 PolarHBondContact O-N 2.8Å; V307-T351 PolarHBondContact O-OG1 2.82Å; V307-R352 PolarHBondContact O-N 3.12Å |
| 308 | I | 90.5 | Very high | 78.8 | Confident | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.3 | 163.6 | -51.6 | -173.4 | 0 | 0 | 0 | 109 | V269 F270 D272 R352 F1793 | V269-I308 WeakPolarHBondContact CA-O 3.3Å; F270-I308 HydrophobicContact CB-CB 4.37Å; F270-I308 PolarHBondContact N-O 2.91Å; F270-I308 PolarHBondContact O-N 2.98Å; D272-I308 HydrophobicContact CB-CD1 4.09Å; D272-I308 HydrophobicContact CB-CG1 3.52Å; I308-R352 HydrophobicContact CB-CB 4.27Å; I308-R352 HydrophobicContact CG1-CB 4.11Å; I308-R352 HydrophobicContact CG2-CB 3.96Å; I308-F1793 HydrophobicContact CD1-CZ 4.32Å |
| 309 | V | 91.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.7 | 170.1 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | V307 W311 A327 I350 R352 I353 D354 | V307-V309 HydrophobicContact CG1-CG2 4.11Å; V309-W311 HydrophobicContact CG1-CD2 3.38Å; V309-W311 HydrophobicContact CG1-CE3 3.86Å; V309-W311 HydrophobicContact CG1-CG 3.77Å; V309-W311 HydrophobicContact CG1-CH2 4.08Å; V309-W311 HydrophobicContact CG1-CZ2 3.64Å; V309-W311 HydrophobicContact CG1-CZ3 4.18Å; V309-A327 HydrophobicContact CG2-CB 4.21Å; V309-I350 HydrophobicContact CG2-CD1 4.22Å; V309-I350 HydrophobicContact CG2-CG1 4.33Å; V309-I350 HydrophobicContact CG2-CG2 3.95Å; V309-R352 PolarHBondContact N-O 3.18Å; V309-I353 HydrophobicContact CB-CG1 4.18Å; V309-I353 HydrophobicContact CG2-CG1 4.49Å; V309-I353 WeakPolarHBondContact O-CA 3.28Å; V309-D354 PolarHBondContact O-N 3.47Å |
| 310 | N | 89.4 | Confident | 82.6 | Confident | 56 Ų | 56 | 34.4 Ų | 34.4 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 81.7 | -179 | -177.3 | 6.4 | 0 | 0 | 0 | 110.8 | L268 F270 H312 | L268-N310 PolarHBondContact O-N 2.83Å; F270-N310 HydrophobicContact CD2-CB 4.32Å; F270-N310 HydrophobicContact CE2-CB 4.11Å; N310-H312 VanDerWaalsContact C-N 3.32Å; N310-H312 VanDerWaalsContact OD1-CB 3.32Å; N310-H312 WeakPolarHBondContact OD1-CB 3.23Å; N310-H312 PolarHBondContact OD1-N 2.72Å |
| 311 | W | 91.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -98.3 | 31.9 | 176.7 | -60.6 | -20.7 | 0 | 0 | 0 | 111.8 | L265 V309 N313 A314 M316 V319 W323 L324 A327 D354 L355 N358 | L265-W311 HydrophobicContact CB-CZ2 3.97Å; L265-W311 HydrophobicContact CD1-CZ2 4.36Å; L265-W311 HydrophobicContact CD2-CD2 3.89Å; L265-W311 HydrophobicContact CD2-CG 3.84Å; L265-W311 PolarHBondContact O-NE1 2.94Å; V309-W311 HydrophobicContact CG1-CD2 3.38Å; V309-W311 HydrophobicContact CG1-CE3 3.86Å; V309-W311 HydrophobicContact CG1-CG 3.77Å; V309-W311 HydrophobicContact CG1-CH2 4.08Å; V309-W311 HydrophobicContact CG1-CZ2 3.64Å; V309-W311 HydrophobicContact CG1-CZ3 4.18Å; W311-N313 PolarHBondContact O-N 3.41Å; W311-A314 HydrophobicContact CB-CB 3.95Å; W311-A314 WeakPolarHBondContact O-CB 3.3Å; W311-A314 PolarHBondContact O-N 3.48Å; W311-M316 HydrophobicContact CB-CE 3.45Å; W311-M316 VanDerWaalsContact CB-CE 3.45Å; W311-M316 HydrophobicContact CB-SD 4Å; W311-M316 HydrophobicContact CD2-CE 4.4Å; W311-M316 HydrophobicContact CD2-SD 4.06Å; W311-M316 HydrophobicContact CE3-CE 3.97Å; W311-M316 HydrophobicContact CE3-SD 3.63Å; W311-M316 HydrophobicContact CG-CE 4.27Å; W311-M316 HydrophobicContact CG-SD 4.27Å; W311-M316 HydrophobicContact CZ3-SD 4.42Å; W311-V319 HydrophobicContact CZ3-CG1 4.25Å; W311-W323 HydrophobicContact CH2-CB 3.61Å; W311-W323 HydrophobicContact CZ2-CB 4.17Å; W311-W323 HydrophobicContact CZ3-CB 4.44Å; W311-L324 HydrophobicContact CH2-CD2 3.79Å; W311-L324 HydrophobicContact CH2-CG 4.29Å; W311-L324 HydrophobicContact CZ3-CD2 3.82Å; W311-L324 HydrophobicContact CZ3-CG 4.44Å; W311-A327 HydrophobicContact CZ2-CB 4.15Å; W311-D354 CarbonylContact C-O 3.54Å; W311-D354 WeakPolarHBondContact CA-O 3.47Å; W311-D354 PolarHBondContact N-O 2.88Å; W311-L355 HydrophobicContact CB-CD2 4.44Å; W311-L355 HydrophobicContact CE3-CD2 3.87Å; W311-N358 PolarHBondContact O-ND2 3.18Å | ||
| 312 | H | 86.9 | Confident | 84.9 | Confident | 83 Ų | 83 | 37.4 Ų | 37.4 | 38% | 0.384 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 130.1 | 171.5 | 176 | 81.8 | 0 | 0 | 0 | 111 | N246 N310 A314 D354 S356 | N246-H312 PolarHBondContact ND2-O 3.4Å; N310-H312 VanDerWaalsContact C-N 3.32Å; N310-H312 VanDerWaalsContact OD1-CB 3.32Å; N310-H312 WeakPolarHBondContact OD1-CB 3.23Å; N310-H312 PolarHBondContact OD1-N 2.72Å; H312-A314 PolarHBondContact O-N 2.75Å; H312-A314 VanDerWaalsContact O-N 3.17Å; H312-D354 PolarHBondContact N-O 3.24Å; H312-S356 WeakPolarHBondContact CA-O 3.11Å; H312-S356 PolarHBondContact ND1-OG 2.85Å |
| 313 | N | 87.3 | Confident | 86 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37 | 179.7 | -170.1 | 54 | 0 | 0 | 0 | 113.6 | N246 W311 Y315 S356 M357 | N246-N313 WeakPolarHBondContact CB-O 3.27Å; N246-N313 PolarHBondContact ND2-O 3.3Å; W311-N313 PolarHBondContact O-N 3.41Å; N313-Y315 WeakPolarHBondContact O-CD2 3.46Å; N313-Y315 WeakPolarHBondContact O-CE2 3.14Å; N313-Y315 PolarHBondContact O-N 3.01Å; N313-S356 PolarHBondContact N-O 3.43Å; N313-M357 HydrophobicContact CB-CB 4.12Å |
| 314 | A | 85.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -83.7 | 9.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | L249 F253 L265 W311 H312 M316 N358 | L249-A314 HydrophobicContact CD2-CB 3.73Å; F253-A314 WeakPolarHBondContact CE2-O 3.16Å; L265-A314 HydrophobicContact CD2-CB 4.39Å; W311-A314 HydrophobicContact CB-CB 3.95Å; W311-A314 WeakPolarHBondContact O-CB 3.3Å; W311-A314 PolarHBondContact O-N 3.48Å; H312-A314 PolarHBondContact O-N 2.75Å; H312-A314 VanDerWaalsContact O-N 3.17Å; A314-M316 HydrophobicContact CB-CE 4.2Å; A314-M316 HydrophobicContact CB-CG 3.86Å; A314-M316 HydrophobicContact CB-SD 4.28Å; A314-M316 PolarHBondContact O-N 3.31Å; A314-M316 VanDerWaalsContact O-N 3.12Å; A314-N358 VanDerWaalsContact C-OD1 3.31Å; A314-N358 WeakPolarHBondContact CA-OD1 3.41Å; A314-N358 PolarHBondContact N-OD1 3.31Å | ||
| 315 | Y | 82.6 | Confident | 87.2 | Confident | 77 Ų | 77 | 34.3 Ų | 34.3 | 30% | 0.302 | 18% | 0.184 | S | C | . | . | trans | 56 | 19.7 | -176.1 | -59.7 | -95.8 | 0 | 0 | 0 | 115.1 | D245 N246 N313 N358 | D245-Y315 WeakPolarHBondContact O-CE2 3.19Å; N246-Y315 HydrophobicContact CB-CD2 4.03Å; N246-Y315 HydrophobicContact CB-CE2 4.03Å; N313-Y315 WeakPolarHBondContact O-CD2 3.46Å; N313-Y315 WeakPolarHBondContact O-CE2 3.14Å; N313-Y315 PolarHBondContact O-N 3.01Å; Y315-N358 PolarHBondContact N-OD1 3.06Å | ||
| 316 | M | 85.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -66.2 | 130.2 | -174.7 | -63.6 | -176.3 | -63.7 | 0 | 0 | 111.9 | F253 L265 W311 A314 V319 W323 L355 N358 K359 L360 | F253-M316 HydrophobicContact CE2-CG 3.8Å; F253-M316 HydrophobicContact CZ-CB 4.37Å; F253-M316 HydrophobicContact CZ-CG 3.77Å; L265-M316 HydrophobicContact CD2-SD 4.18Å; W311-M316 HydrophobicContact CB-CE 3.45Å; W311-M316 VanDerWaalsContact CB-CE 3.45Å; W311-M316 HydrophobicContact CB-SD 4Å; W311-M316 HydrophobicContact CD2-CE 4.4Å; W311-M316 HydrophobicContact CD2-SD 4.06Å; W311-M316 HydrophobicContact CE3-CE 3.97Å; W311-M316 HydrophobicContact CE3-SD 3.63Å; W311-M316 HydrophobicContact CG-CE 4.27Å; W311-M316 HydrophobicContact CG-SD 4.27Å; W311-M316 HydrophobicContact CZ3-SD 4.42Å; A314-M316 HydrophobicContact CB-CE 4.2Å; A314-M316 HydrophobicContact CB-CG 3.86Å; A314-M316 HydrophobicContact CB-SD 4.28Å; A314-M316 PolarHBondContact O-N 3.31Å; A314-M316 VanDerWaalsContact O-N 3.12Å; M316-V319 HydrophobicContact CE-CG2 4.48Å; M316-W323 HydrophobicContact SD-CZ3 4.4Å; M316-L355 HydrophobicContact CE-CD2 3.64Å; M316-N358 HydrophobicContact CB-CB 4.44Å; M316-N358 PolarHBondContact N-OD1 3.28Å; M316-K359 CarbonylContact O-C 3.42Å; M316-K359 PolarHBondContact O-N 3.44Å; M316-K359 VanDerWaalsContact O-N 3.09Å; M316-L360 HydrophobicContact CB-CD2 4.09Å | ||
| 317 | P | 84.5 | Confident | 87.3 | Confident | 71 Ų | 71 | 33 Ų | 33 | 46% | 0.461 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -87.1 | -24.9 | 173.1 | 33.4 | -33.7 | 0 | 0 | 0 | 113.1 | F253 | F253-P317 HydrophobicContact CD1-CG 4.48Š|
| 318 | A | 88.3 | Confident | 87.2 | Confident | 22 Ų | 22 | 33 Ų | 33 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -156.1 | 162.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | W323 Y362 | A318-W323 WeakPolarHBondContact O-CZ3 3.46Å; A318-Y362 HydrophobicContact CB-CE1 4.35Å |
| 319 | V | 87.7 | Confident | 87 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | trans | -104.3 | 135 | 172.7 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | W311 M316 L324 L355 L360 P364 | W311-V319 HydrophobicContact CZ3-CG1 4.25Å; M316-V319 HydrophobicContact CE-CG2 4.48Å; V319-L324 HydrophobicContact CG1-CD1 4.31Å; V319-L324 HydrophobicContact CG1-CG 4.47Å; V319-L355 HydrophobicContact CG2-CD1 4.12Å; V319-L355 HydrophobicContact CG2-CD2 3.98Å; V319-L360 HydrophobicContact CG2-CD1 4.12Å; V319-L360 HydrophobicContact CG2-CD2 4.02Å; V319-P364 HydrophobicContact CB-CG 4.16Å; V319-P364 HydrophobicContact CG1-CG 4.42Å | ||
| 320 | Q | 86.6 | Confident | 86.8 | Confident | 94 Ų | 94 | 41.1 Ų | 41.1 | 44% | 0.439 | 21% | 0.205 | S | C | . | . | trans | -107.9 | 141.6 | 171.6 | -61.5 | -171.4 | -3.8 | 0 | 0 | 111.9 | S322 W323 | Q320-S322 VanDerWaalsContact C-N 3.27Å; Q320-S322 WeakPolarHBondContact CB-OG 3.33Å; Q320-S322 PolarHBondContact O-N 3.42Å; Q320-S322 PolarHBondContact OE1-OG 3.05Å; Q320-W323 HydrophobicContact CB-CD2 3.83Å; Q320-W323 HydrophobicContact CB-CE3 4.21Å; Q320-W323 HydrophobicContact CB-CG 4.2Å; Q320-W323 HydrophobicContact CB-CH2 4.38Å; Q320-W323 HydrophobicContact CB-CZ2 4.04Å; Q320-W323 HydrophobicContact CB-CZ3 4.48Å; Q320-W323 HydrophobicContact CG-CD2 4.36Å; Q320-W323 HydrophobicContact CG-CH2 3.91Å; Q320-W323 HydrophobicContact CG-CZ2 3.63Å; Q320-W323 HydrophobicContact CG-CZ3 4.42Å; Q320-W323 PolarHBondContact O-N 3.27Å | ||
| 321 | E | 82.6 | Confident | 86.6 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -31.2 | 178.6 | -168.6 | 168 | -126.5 | 0 | 0 | 112.5 | W323 L324 V325 S366 | E321-W323 VanDerWaalsContact C-N 3.29Å; E321-W323 PolarHBondContact O-N 3.03Å; E321-L324 PolarHBondContact O-N 2.7Å; E321-V325 WeakPolarHBondContact O-CG2 3.42Å; E321-V325 PolarHBondContact O-N 3.27Å; E321-S366 WeakPolarHBondContact OE1-CB 3.45Å |
| 322 | S | 84.9 | Confident | 86.2 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 45% | 0.448 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.2 | -38 | 171.8 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | Q320 E326 | Q320-S322 VanDerWaalsContact C-N 3.27Å; Q320-S322 WeakPolarHBondContact CB-OG 3.33Å; Q320-S322 PolarHBondContact O-N 3.42Å; Q320-S322 PolarHBondContact OE1-OG 3.05Å; S322-E326 PolarHBondContact O-N 3.02Å |
| 323 | W | 89.8 | Confident | 85.6 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.3 | -33.8 | 178.4 | -50.4 | -25.3 | 0 | 0 | 0 | 111.8 | F253 V261 L265 W311 M316 A318 Q320 E321 E326 A327 | F253-W323 AromaticContact CE1-CH2 3.57Å; F253-W323 HydrophobicContact CE1-CH2 3.57Å; F253-W323 HydrophobicContact CE1-CZ2 4.09Å; F253-W323 HydrophobicContact CE1-CZ3 4.22Å; F253-W323 AromaticContact CZ-CH2 3.82Å; F253-W323 HydrophobicContact CZ-CH2 3.82Å; F253-W323 HydrophobicContact CZ-CZ2 4.47Å; F253-W323 HydrophobicContact CZ-CZ3 4.01Å; V261-W323 HydrophobicContact CG1-CZ2 4.14Å; L265-W323 HydrophobicContact CD1-CB 4.12Å; L265-W323 HydrophobicContact CD1-CD2 3.55Å; L265-W323 HydrophobicContact CD1-CE3 3.45Å; L265-W323 VanDerWaalsContact CD1-CE3 3.45Å; L265-W323 HydrophobicContact CD1-CG 3.84Å; L265-W323 HydrophobicContact CD1-CZ3 4.11Å; W311-W323 HydrophobicContact CH2-CB 3.61Å; W311-W323 HydrophobicContact CZ2-CB 4.17Å; W311-W323 HydrophobicContact CZ3-CB 4.44Å; M316-W323 HydrophobicContact SD-CZ3 4.4Å; A318-W323 WeakPolarHBondContact O-CZ3 3.46Å; Q320-W323 HydrophobicContact CB-CD2 3.83Å; Q320-W323 HydrophobicContact CB-CE3 4.21Å; Q320-W323 HydrophobicContact CB-CG 4.2Å; Q320-W323 HydrophobicContact CB-CH2 4.38Å; Q320-W323 HydrophobicContact CB-CZ2 4.04Å; Q320-W323 HydrophobicContact CB-CZ3 4.48Å; Q320-W323 HydrophobicContact CG-CD2 4.36Å; Q320-W323 HydrophobicContact CG-CH2 3.91Å; Q320-W323 HydrophobicContact CG-CZ2 3.63Å; Q320-W323 HydrophobicContact CG-CZ3 4.42Å; Q320-W323 PolarHBondContact O-N 3.27Å; E321-W323 VanDerWaalsContact C-N 3.29Å; E321-W323 PolarHBondContact O-N 3.03Å; W323-E326 PolarHBondContact O-N 3.23Å; W323-A327 WeakPolarHBondContact O-CB 3.34Å; W323-A327 PolarHBondContact O-N 2.81Å |
| 324 | L | 87.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 174 | -63.9 | 170.9 | 0 | 0 | 0 | 110.9 | W311 V319 E321 A327 A328 T347 I350 I353 L367 | W311-L324 HydrophobicContact CH2-CD2 3.79Å; W311-L324 HydrophobicContact CH2-CG 4.29Å; W311-L324 HydrophobicContact CZ3-CD2 3.82Å; W311-L324 HydrophobicContact CZ3-CG 4.44Å; V319-L324 HydrophobicContact CG1-CD1 4.31Å; V319-L324 HydrophobicContact CG1-CG 4.47Å; E321-L324 PolarHBondContact O-N 2.7Å; L324-A327 PolarHBondContact O-N 3.26Å; L324-A328 WeakPolarHBondContact O-CB 3.43Å; L324-A328 PolarHBondContact O-N 3.42Å; L324-T347 HydrophobicContact CB-CG2 4.27Å; L324-I350 HydrophobicContact CB-CD1 4.1Å; L324-I350 HydrophobicContact CD2-CD1 4.18Å; L324-I353 HydrophobicContact CD2-CD1 4.15Å; L324-L367 HydrophobicContact CD1-CD2 3.74Å; L324-L367 HydrophobicContact CD1-CG 4.47Å; L324-L367 HydrophobicContact CD2-CD2 4.31Å |
| 325 | V | 86.7 | Confident | 83.6 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 173.4 | 172.6 | 0 | 0 | 0 | 0 | 111 | E321 A328 R329 I346 T347 | E321-V325 WeakPolarHBondContact O-CG2 3.42Å; E321-V325 PolarHBondContact O-N 3.27Å; V325-A328 PolarHBondContact O-N 2.89Å; V325-R329 VanDerWaalsContact O-CB 3.3Å; V325-R329 WeakPolarHBondContact O-CB 3.18Å; V325-R329 PolarHBondContact O-N 3Å; V325-I346 HydrophobicContact CG1-CG2 4.07Å; V325-T347 HydrophobicContact CB-CG2 4.29Å; V325-T347 HydrophobicContact CG2-CG2 3.6Å |
| 326 | E | 86.8 | Confident | 82.4 | Confident | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.6 | -34.7 | -180 | -168.7 | 72.2 | 162.9 | 0 | 0 | 112.6 | T262 K263 S322 W323 R329 Y330 | T262-E326 HydrophobicContact CG2-CB 3.82Å; T262-E326 HydrophobicContact CG2-CG 3.81Å; K263-E326 IonicContact NZ-OE1 3.78Å; K263-E326 PolarHBondContact NZ-OE1 3.28Å; S322-E326 PolarHBondContact O-N 3.02Å; W323-E326 PolarHBondContact O-N 3.23Å; E326-R329 VanDerWaalsContact CD-NH2 3.29Å; E326-R329 CarbonylContact O-C 3.5Å; E326-R329 PolarHBondContact O-N 3.2Å; E326-R329 IonicContact OE1-CZ 2.69Å; E326-R329 IonicContact OE1-NH2 2.74Å; E326-R329 PolarHBondContact OE1-NH2 2.7Å; E326-R329 IonicContact OE2-CZ 2.68Å; E326-R329 IonicContact OE2-NE 2.86Å; E326-R329 PolarHBondContact OE2-NE 3.49Å; E326-R329 IonicContact OE2-NH2 3.62Å; E326-R329 PolarHBondContact OE2-NH2 3.42Å; E326-Y330 WeakPolarHBondContact O-CB 3.36Å; E326-Y330 PolarHBondContact O-N 2.92Å |
| 327 | A | 87.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V269 V309 W311 W323 L324 R329 Y330 | V269-A327 HydrophobicContact CG1-CB 4.29Å; V269-A327 HydrophobicContact CG2-CB 3.66Å; V309-A327 HydrophobicContact CG2-CB 4.21Å; W311-A327 HydrophobicContact CZ2-CB 4.15Å; W323-A327 WeakPolarHBondContact O-CB 3.34Å; W323-A327 PolarHBondContact O-N 2.81Å; L324-A327 PolarHBondContact O-N 3.26Å; A327-R329 VanDerWaalsContact C-N 3.28Å; A327-R329 PolarHBondContact O-N 3.11Å; A327-Y330 WeakPolarHBondContact O-CB 3.48Å; A327-Y330 PolarHBondContact O-N 3.41Å |
| 328 | A | 87.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L324 V325 N332 I346 A349 I350 | L324-A328 WeakPolarHBondContact O-CB 3.43Å; L324-A328 PolarHBondContact O-N 3.42Å; V325-A328 PolarHBondContact O-N 2.89Å; A328-N332 WeakPolarHBondContact O-CB 3.26Å; A328-N332 PolarHBondContact O-N 3.05Å; A328-N332 PolarHBondContact O-ND2 3.16Å; A328-I346 HydrophobicContact CB-CG1 4.2Å; A328-I346 VanDerWaalsContact CB-O 3.31Å; A328-I346 WeakPolarHBondContact CB-O 3.29Å; A328-A349 HydrophobicContact CB-CB 4.26Å; A328-I350 HydrophobicContact CB-CD1 4.31Å; A328-I350 HydrophobicContact CB-CG1 4.13Å |
| 329 | R | 85.9 | Confident | 77.7 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72 | -28.6 | 178.8 | -159.8 | 171.1 | 71.1 | 133.4 | 2.6 | 114.1 | V325 E326 A327 L331 N332 P333 W335 I346 | V325-R329 VanDerWaalsContact O-CB 3.3Å; V325-R329 WeakPolarHBondContact O-CB 3.18Å; V325-R329 PolarHBondContact O-N 3Å; E326-R329 VanDerWaalsContact CD-NH2 3.29Å; E326-R329 CarbonylContact O-C 3.5Å; E326-R329 PolarHBondContact O-N 3.2Å; E326-R329 IonicContact OE1-CZ 2.69Å; E326-R329 IonicContact OE1-NH2 2.74Å; E326-R329 PolarHBondContact OE1-NH2 2.7Å; E326-R329 IonicContact OE2-CZ 2.68Å; E326-R329 IonicContact OE2-NE 2.86Å; E326-R329 PolarHBondContact OE2-NE 3.49Å; E326-R329 IonicContact OE2-NH2 3.62Å; E326-R329 PolarHBondContact OE2-NH2 3.42Å; A327-R329 VanDerWaalsContact C-N 3.28Å; A327-R329 PolarHBondContact O-N 3.11Å; R329-L331 VanDerWaalsContact C-N 3.27Å; R329-L331 PolarHBondContact O-N 3.4Å; R329-N332 CarbonylContact O-C 3.56Å; R329-N332 VanDerWaalsContact O-C 3.23Å; R329-N332 PolarHBondContact O-N 3.04Å; R329-P333 WeakPolarHBondContact O-CA 3.49Å; R329-W335 VanDerWaalsContact CD-O 3.23Å; R329-W335 WeakPolarHBondContact CD-O 3.48Å; R329-I346 HydrophobicContact CB-CD1 3.63Å; R329-I346 HydrophobicContact CG-CD1 3.72Å |
| 330 | Y | 86.6 | Confident | 76.1 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 37% | 0.373 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 179.4 | -177.8 | -107.9 | 0 | 0 | 0 | 111.6 | S266 H267 E326 A327 | S266-Y330 VanDerWaalsContact O-CD1 3.23Å; S266-Y330 WeakPolarHBondContact O-CD1 3.47Å; S266-Y330 WeakPolarHBondContact O-CE1 3.39Å; H267-Y330 PolarHBondContact CE1-OH 3.45Å; E326-Y330 WeakPolarHBondContact O-CB 3.36Å; E326-Y330 PolarHBondContact O-N 2.92Å; A327-Y330 WeakPolarHBondContact O-CB 3.48Å; A327-Y330 PolarHBondContact O-N 3.41Å |
| 331 | L | 85.4 | Confident | 74.6 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -92.4 | -13.4 | 175.4 | -62.2 | 177.2 | 0 | 0 | 0 | 114 | V269 F270 V271 T305 V307 R329 P333 | V269-L331 HydrophobicContact CG1-CD1 3.9Å; V269-L331 HydrophobicContact CG1-CG 4.4Å; F270-L331 WeakPolarHBondContact O-CD1 3.34Å; V271-L331 HydrophobicContact CG2-CD1 4.09Å; V271-L331 HydrophobicContact CG2-CD2 4.4Å; T305-L331 HydrophobicContact CG2-CB 4.09Å; V307-L331 HydrophobicContact CG1-CD1 4.28Å; V307-L331 HydrophobicContact CG2-CB 4.27Å; V307-L331 HydrophobicContact CG2-CD1 4.11Å; R329-L331 VanDerWaalsContact C-N 3.27Å; R329-L331 PolarHBondContact O-N 3.4Å; L331-P333 VanDerWaalsContact O-CD 3.26Å; L331-P333 WeakPolarHBondContact O-CD 3.45Å |
| 332 | N | 83.6 | Confident | 73.7 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | trans | -117.4 | 60.1 | 175.3 | -66.5 | -88.9 | 0 | 0 | 0 | 112.2 | P303 S304 T305 A328 R329 C334 W335 | P303-N332 HydrophobicContact CB-CB 4.36Å; P303-N332 WeakPolarHBondContact CB-OD1 3.38Å; S304-N332 PolarHBondContact N-OD1 3.35Å; T305-N332 PolarHBondContact N-OD1 3.16Å; T305-N332 VanDerWaalsContact N-OD1 3.11Å; T305-N332 PolarHBondContact O-ND2 2.9Å; A328-N332 WeakPolarHBondContact O-CB 3.26Å; A328-N332 PolarHBondContact O-N 3.05Å; A328-N332 PolarHBondContact O-ND2 3.16Å; R329-N332 CarbonylContact O-C 3.56Å; R329-N332 VanDerWaalsContact O-C 3.23Å; R329-N332 PolarHBondContact O-N 3.04Å; N332-C334 VanDerWaalsContact C-N 3.26Å; N332-C334 PolarHBondContact O-N 3.08Å; N332-W335 PolarHBondContact O-N 3.17Å | ||
| 333 | P | 74.9 | Confident | 73 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 54% | 0.539 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.9 | -163.3 | 28.2 | -38.2 | 0 | 0 | 0 | 116.3 | R329 L331 W335 | R329-P333 WeakPolarHBondContact O-CA 3.49Å; L331-P333 VanDerWaalsContact O-CD 3.26Å; L331-P333 WeakPolarHBondContact O-CD 3.45Å; P333-W335 PolarHBondContact O-N 2.74Å |
| 334 | C | 67.9 | Low | 72 | Confident | 120 Ų | 120 | 69.6 Ų | 69.6 | 81% | 0.811 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.4 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | N332 K336 | N332-C334 VanDerWaalsContact C-N 3.26Å; N332-C334 PolarHBondContact O-N 3.08Å; C334-K336 PolarHBondContact O-N 2.64Å |
| 335 | W | 62.8 | Low | 71.5 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | trans | -81.6 | 81.5 | -173.4 | -76.6 | 71.5 | 0 | 0 | 0 | 113 | A300 L301 R329 N332 P333 V342 V345 I346 | A300-W335 WeakPolarHBondContact O-CZ2 3.31Å; L301-W335 WeakPolarHBondContact O-CH2 3.49Å; R329-W335 VanDerWaalsContact CD-O 3.23Å; R329-W335 WeakPolarHBondContact CD-O 3.48Å; N332-W335 PolarHBondContact O-N 3.17Å; P333-W335 PolarHBondContact O-N 2.74Å; W335-V342 HydrophobicContact CE3-CG1 3.69Å; W335-V342 HydrophobicContact CZ3-CG1 3.88Å; W335-V345 HydrophobicContact CH2-CB 4.38Å; W335-V345 HydrophobicContact CH2-CG1 3.55Å; W335-V345 HydrophobicContact CZ3-CB 4.18Å; W335-V345 HydrophobicContact CZ3-CG1 3.85Å; W335-I346 HydrophobicContact CB-CD1 3.47Å; W335-I346 VanDerWaalsContact CB-CD1 3.47Å; W335-I346 HydrophobicContact CB-CG1 4.39Å; W335-I346 HydrophobicContact CD2-CD1 4.44Å; W335-I346 HydrophobicContact CD2-CG1 4.48Å; W335-I346 HydrophobicContact CE3-CB 4.32Å; W335-I346 HydrophobicContact CG-CD1 3.93Å; W335-I346 HydrophobicContact CG-CG1 4.36Å | ||
| 336 | K | 56.5 | Low | 71.2 | Confident | 169 Ų | 169 | 68.6 Ų | 68.6 | 74% | 0.735 | 36% | 0.361 | S | S | * | . | trans | -99 | 7.8 | -178.2 | -67.8 | -176.9 | 179.2 | 175.4 | 0 | 115.6 | C334 S338 | C334-K336 PolarHBondContact O-N 2.64Å; K336-S338 PolarHBondContact O-N 2.85Å | ||
| 337 | L | 52.8 | Low | 71.1 | Confident | 137 Ų | 137 | 67.6 Ų | 67.6 | 72% | 0.717 | 36% | 0.356 | S | S | * | . | trans | -82.4 | 108.1 | -176.2 | -80.2 | 160.7 | 0 | 0 | 0 | 112.6 | S339 V342 | L337-S339 PolarHBondContact O-N 3.3Å; L337-V342 HydrophobicContact CB-CG2 4.4Å | ||
| 338 | S | 52.4 | Low | 70.9 | Confident | 132 Ų | 132 | 68.1 Ų | 68.1 | 92% | 0.923 | 36% | 0.36 | S | S | * | . | trans | -79 | 42.6 | -174.8 | -171.7 | 0 | 0 | 0 | 0 | 114.6 | K336 | K336-S338 PolarHBondContact O-N 2.85Š| ||
| 339 | S | 55.4 | Low | 71 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 44% | 0.441 | 36% | 0.36 | S | S | . | . | trans | -96.5 | 141.9 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | L337 F341 V342 | L337-S339 PolarHBondContact O-N 3.3Å; S339-F341 PolarHBondContact O-N 3.41Å; S339-V342 WeakPolarHBondContact O-CB 3.48Å; S339-V342 PolarHBondContact O-N 3.34Å | ||
| 340 | M | 54 | Low | 71.2 | Confident | 171 Ų | 171 | 63.9 Ų | 63.9 | 84% | 0.842 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -21.7 | 179.5 | -172.5 | 173.1 | 174.2 | 0 | 0 | 113.7 | S343 | M340-S343 PolarHBondContact O-OG 3.47Š|
| 341 | F | 54.5 | Low | 71.4 | Confident | 138 Ų | 138 | 59.4 Ų | 59.4 | 61% | 0.605 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -16.1 | 174.1 | -76.5 | -90.1 | 0 | 0 | 0 | 113.7 | S339 | S339-F341 PolarHBondContact O-N 3.41Š|
| 342 | V | 64.3 | Low | 71.8 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.1 | -21.9 | -177.5 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | W335 L337 S339 H344 V345 I346 | W335-V342 HydrophobicContact CE3-CG1 3.69Å; W335-V342 HydrophobicContact CZ3-CG1 3.88Å; L337-V342 HydrophobicContact CB-CG2 4.4Å; S339-V342 WeakPolarHBondContact O-CB 3.48Å; S339-V342 PolarHBondContact O-N 3.34Å; V342-H344 PolarHBondContact O-N 3.41Å; V342-V345 PolarHBondContact O-N 3.17Å; V342-I346 PolarHBondContact O-N 3.29Å; V342-I346 VanDerWaalsContact O-N 3.07Å |
| 343 | S | 69.2 | Low | 72.2 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 178 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | M340 V345 I346 T347 | M340-S343 PolarHBondContact O-OG 3.47Å; S343-V345 PolarHBondContact O-N 3.1Å; S343-I346 WeakPolarHBondContact O-CG2 3.33Å; S343-I346 PolarHBondContact O-N 3.18Å; S343-T347 WeakPolarHBondContact O-CB 3.46Å; S343-T347 WeakPolarHBondContact O-CG2 3.4Å; S343-T347 PolarHBondContact O-N 3.43Å; S343-T347 PolarHBondContact O-OG1 2.87Å |
| 344 | H | 69.6 | Low | 73 | Confident | 72 Ų | 72 | 56.6 Ų | 56.6 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 179.2 | -80.1 | -53.8 | 0 | 0 | 0 | 112.2 | V342 I346 T347 S348 | V342-H344 PolarHBondContact O-N 3.41Å; H344-I346 PolarHBondContact O-N 2.97Å; H344-T347 PolarHBondContact O-N 2.93Å; H344-T347 PolarHBondContact O-OG1 2.93Å; H344-T347 VanDerWaalsContact O-OG1 3.08Å; H344-S348 PolarHBondContact O-N 2.96Å; H344-S348 PolarHBondContact O-OG 3.26Å |
| 345 | V | 76.8 | Confident | 74.2 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | M282 L284 I287 W335 V342 S343 S348 | M282-V345 HydrophobicContact SD-CG1 3.81Å; L284-V345 HydrophobicContact CD2-CG1 4.35Å; L284-V345 HydrophobicContact CD2-CG2 4.41Å; I287-V345 HydrophobicContact CD1-CG2 3.9Å; W335-V345 HydrophobicContact CH2-CB 4.38Å; W335-V345 HydrophobicContact CH2-CG1 3.55Å; W335-V345 HydrophobicContact CZ3-CB 4.18Å; W335-V345 HydrophobicContact CZ3-CG1 3.85Å; V342-V345 PolarHBondContact O-N 3.17Å; S343-V345 PolarHBondContact O-N 3.1Å; V345-S348 VanDerWaalsContact O-CB 3.25Å; V345-S348 WeakPolarHBondContact O-CB 3.32Å; V345-S348 PolarHBondContact O-N 3.02Å |
| 346 | I | 81.5 | Confident | 75.5 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 179.5 | -157.8 | 177.3 | 0 | 0 | 0 | 112.7 | V325 A328 R329 W335 V342 S343 H344 S348 A349 | V325-I346 HydrophobicContact CG1-CG2 4.07Å; A328-I346 HydrophobicContact CB-CG1 4.2Å; A328-I346 VanDerWaalsContact CB-O 3.31Å; A328-I346 WeakPolarHBondContact CB-O 3.29Å; R329-I346 HydrophobicContact CB-CD1 3.63Å; R329-I346 HydrophobicContact CG-CD1 3.72Å; W335-I346 HydrophobicContact CB-CD1 3.47Å; W335-I346 VanDerWaalsContact CB-CD1 3.47Å; W335-I346 HydrophobicContact CB-CG1 4.39Å; W335-I346 HydrophobicContact CD2-CD1 4.44Å; W335-I346 HydrophobicContact CD2-CG1 4.48Å; W335-I346 HydrophobicContact CE3-CB 4.32Å; W335-I346 HydrophobicContact CG-CD1 3.93Å; W335-I346 HydrophobicContact CG-CG1 4.36Å; V342-I346 PolarHBondContact O-N 3.29Å; V342-I346 VanDerWaalsContact O-N 3.07Å; S343-I346 WeakPolarHBondContact O-CG2 3.33Å; S343-I346 PolarHBondContact O-N 3.18Å; H344-I346 PolarHBondContact O-N 2.97Å; I346-S348 PolarHBondContact O-N 3.21Å; I346-A349 WeakPolarHBondContact O-CB 3.31Å; I346-A349 PolarHBondContact O-N 3.28Å |
| 347 | T | 84.6 | Confident | 77.1 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -17.9 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | L324 V325 S343 H344 A349 I350 | L324-T347 HydrophobicContact CB-CG2 4.27Å; V325-T347 HydrophobicContact CB-CG2 4.29Å; V325-T347 HydrophobicContact CG2-CG2 3.6Å; S343-T347 WeakPolarHBondContact O-CB 3.46Å; S343-T347 WeakPolarHBondContact O-CG2 3.4Å; S343-T347 PolarHBondContact O-N 3.43Å; S343-T347 PolarHBondContact O-OG1 2.87Å; H344-T347 PolarHBondContact O-N 2.93Å; H344-T347 PolarHBondContact O-OG1 2.93Å; H344-T347 VanDerWaalsContact O-OG1 3.08Å; T347-A349 PolarHBondContact O-N 3.5Å; T347-A349 VanDerWaalsContact O-N 3.1Å; T347-I350 WeakPolarHBondContact O-CB 3.36Å; T347-I350 WeakPolarHBondContact O-CG1 3.42Å; T347-I350 PolarHBondContact O-N 3.49Å |
| 348 | S | 83.2 | Confident | 78.8 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.3 | 169.4 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | M282 H344 V345 I346 I350 S371 S372 | M282-S348 VanDerWaalsContact CE-CB 3.45Å; M282-S348 VanDerWaalsContact SD-CB 3.57Å; H344-S348 PolarHBondContact O-N 2.96Å; H344-S348 PolarHBondContact O-OG 3.26Å; V345-S348 VanDerWaalsContact O-CB 3.25Å; V345-S348 WeakPolarHBondContact O-CB 3.32Å; V345-S348 PolarHBondContact O-N 3.02Å; I346-S348 PolarHBondContact O-N 3.21Å; S348-I350 PolarHBondContact O-N 3.36Å; S348-S371 WeakPolarHBondContact CB-OG 3.14Å; S348-S371 PolarHBondContact OG-OG 3.46Å; S348-S372 WeakPolarHBondContact O-CB 3.22Å; S348-S372 PolarHBondContact O-OG 3.28Å |
| 349 | A | 88.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P303 S306 V307 A328 I346 T347 T351 | P303-A349 HydrophobicContact CB-CB 3.85Å; P303-A349 HydrophobicContact CG-CB 3.93Å; S306-A349 CarbonylContact C-O 3.51Å; S306-A349 WeakPolarHBondContact CA-O 3.33Å; V307-A349 HydrophobicContact CG2-CB 3.91Å; V307-A349 PolarHBondContact N-O 2.92Å; A328-A349 HydrophobicContact CB-CB 4.26Å; I346-A349 WeakPolarHBondContact O-CB 3.31Å; I346-A349 PolarHBondContact O-N 3.28Å; T347-A349 PolarHBondContact O-N 3.5Å; T347-A349 VanDerWaalsContact O-N 3.1Å; A349-T351 PolarHBondContact O-N 2.67Å |
| 350 | I | 90.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.8 | -171.6 | -55.8 | 169.2 | 0 | 0 | 0 | 110.8 | V307 V309 L324 A328 T347 S348 I353 S372 L373 | V307-I350 HydrophobicContact CB-CG1 4.27Å; V307-I350 HydrophobicContact CG1-CG1 4.29Å; V307-I350 WeakPolarHBondContact O-CA 3.49Å; V309-I350 HydrophobicContact CG2-CD1 4.22Å; V309-I350 HydrophobicContact CG2-CG1 4.33Å; V309-I350 HydrophobicContact CG2-CG2 3.95Å; L324-I350 HydrophobicContact CB-CD1 4.1Å; L324-I350 HydrophobicContact CD2-CD1 4.18Å; A328-I350 HydrophobicContact CB-CD1 4.31Å; A328-I350 HydrophobicContact CB-CG1 4.13Å; T347-I350 WeakPolarHBondContact O-CB 3.36Å; T347-I350 WeakPolarHBondContact O-CG1 3.42Å; T347-I350 PolarHBondContact O-N 3.49Å; S348-I350 PolarHBondContact O-N 3.36Å; I350-I353 HydrophobicContact CG2-CD1 3.85Å; I350-I353 HydrophobicContact CG2-CG1 3.57Å; I350-S372 CarbonylContact O-C 3.42Å; I350-L373 HydrophobicContact CG2-CD1 4.23Å; I350-L373 WeakPolarHBondContact O-CA 3.41Å; I350-L373 PolarHBondContact O-N 2.84Å |
| 351 | T | 91.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -26.4 | -178.3 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | D272 V307 A349 R374 I375 | D272-T351 WeakPolarHBondContact CB-OG1 3.34Å; D272-T351 VanDerWaalsContact CG-OG1 3.3Å; D272-T351 VanDerWaalsContact OD2-CB 3.28Å; D272-T351 WeakPolarHBondContact OD2-CB 3.45Å; D272-T351 PolarHBondContact OD2-OG1 3.19Å; V307-T351 PolarHBondContact O-N 2.8Å; V307-T351 PolarHBondContact O-OG1 2.82Å; A349-T351 PolarHBondContact O-N 2.67Å; T351-R374 PolarHBondContact O-N 3.4Å; T351-I375 PolarHBondContact O-N 3.46Å |
| 352 | R | 93.1 | Very high | 85.7 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 11% | 0.113 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 139.9 | 179.2 | -71.4 | 177.5 | 149 | 139.6 | -10.1 | 112 | D272 E274 Y275 V307 I308 V309 I375 | D272-R352 IonicContact OD1-CZ 2.85Å; D272-R352 IonicContact OD1-NH1 3.76Å; D272-R352 PolarHBondContact OD1-NH1 2.99Å; D272-R352 VanDerWaalsContact OD2-CD 3.26Å; D272-R352 WeakPolarHBondContact OD2-CD 3.32Å; D272-R352 VanDerWaalsContact OD2-CG 3.3Å; D272-R352 WeakPolarHBondContact OD2-CG 3.1Å; D272-R352 IonicContact OD2-NH1 2.75Å; E274-R352 IonicContact OE2-CZ 3.23Å; E274-R352 IonicContact OE2-NH1 3.54Å; E274-R352 PolarHBondContact OE2-NH1 3.14Å; E274-R352 IonicContact OE2-NH2 2.69Å; E274-R352 PolarHBondContact OE2-NH2 3.43Å; Y275-R352 HydrophobicContact CD2-CG 4.34Å; V307-R352 PolarHBondContact O-N 3.12Å; I308-R352 HydrophobicContact CB-CB 4.27Å; I308-R352 HydrophobicContact CG1-CB 4.11Å; I308-R352 HydrophobicContact CG2-CB 3.96Å; V309-R352 PolarHBondContact N-O 3.18Å; R352-I375 HydrophobicContact CG-CB 4.2Å; R352-I375 HydrophobicContact CG-CG1 4.43Å |
| 353 | I | 93.2 | Very high | 86.8 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 125.5 | 176.4 | -67.9 | 178.7 | 0 | 0 | 0 | 110.1 | V309 L324 I350 L355 L367 L370 L373 I375 L376 N377 | V309-I353 HydrophobicContact CB-CG1 4.18Å; V309-I353 HydrophobicContact CG2-CG1 4.49Å; V309-I353 WeakPolarHBondContact O-CA 3.28Å; L324-I353 HydrophobicContact CD2-CD1 4.15Å; I350-I353 HydrophobicContact CG2-CD1 3.85Å; I350-I353 HydrophobicContact CG2-CG1 3.57Å; I353-L355 HydrophobicContact CG2-CD1 4.05Å; I353-L355 HydrophobicContact CG2-CD2 3.82Å; I353-L355 HydrophobicContact CG2-CG 3.61Å; I353-L367 HydrophobicContact CD1-CD2 3.49Å; I353-L367 VanDerWaalsContact CD1-CD2 3.49Å; I353-L370 HydrophobicContact CD1-CD1 3.48Å; I353-L370 VanDerWaalsContact CD1-CD1 3.48Å; I353-L373 HydrophobicContact CB-CD1 4.03Å; I353-L373 HydrophobicContact CD1-CD1 3.77Å; I353-L373 HydrophobicContact CD1-CD2 4.31Å; I353-L373 HydrophobicContact CG1-CD1 3.61Å; I353-I375 PolarHBondContact N-O 2.97Å; I353-L376 HydrophobicContact CB-CD1 3.98Å; I353-L376 HydrophobicContact CG2-CD1 3.73Å; I353-L376 WeakPolarHBondContact O-CA 3.17Å; I353-N377 PolarHBondContact O-N 2.85Å |
| 354 | D | 91.7 | Very high | 87.6 | Confident | 38 Ų | 38 | 28.1 Ų | 28.1 | 20% | 0.203 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.3 | 165.2 | -158.9 | -44.2 | 0 | 0 | 0 | 111 | V309 W311 H312 S356 N377 | V309-D354 PolarHBondContact O-N 3.47Å; W311-D354 CarbonylContact C-O 3.54Å; W311-D354 WeakPolarHBondContact CA-O 3.47Å; W311-D354 PolarHBondContact N-O 2.88Å; H312-D354 PolarHBondContact N-O 3.24Å; D354-S356 VanDerWaalsContact OD1-CB 3.25Å; D354-S356 WeakPolarHBondContact OD1-CB 3.14Å; D354-S356 PolarHBondContact OD1-N 3.08Å; D354-S356 PolarHBondContact OD1-OG 2.7Å; D354-N377 HydrophobicContact CB-CB 4.42Å; D354-N377 VanDerWaalsContact CG-ND2 3.33Å; D354-N377 PolarHBondContact OD1-ND2 3.12Å; D354-N377 PolarHBondContact OD2-ND2 2.91Å |
| 355 | L | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -121.8 | 11.1 | 177.7 | -53.1 | 173.5 | 0 | 0 | 0 | 111.4 | W311 M316 V319 I353 N358 L360 L363 L367 L376 N377 A378 N381 | W311-L355 HydrophobicContact CB-CD2 4.44Å; W311-L355 HydrophobicContact CE3-CD2 3.87Å; M316-L355 HydrophobicContact CE-CD2 3.64Å; V319-L355 HydrophobicContact CG2-CD1 4.12Å; V319-L355 HydrophobicContact CG2-CD2 3.98Å; I353-L355 HydrophobicContact CG2-CD1 4.05Å; I353-L355 HydrophobicContact CG2-CD2 3.82Å; I353-L355 HydrophobicContact CG2-CG 3.61Å; L355-N358 VanDerWaalsContact C-ND2 3.28Å; L355-N358 PolarHBondContact O-ND2 3.34Å; L355-L360 HydrophobicContact CB-CD1 3.87Å; L355-L360 HydrophobicContact CD1-CD1 4.03Å; L355-L360 HydrophobicContact CG-CD1 4.44Å; L355-L363 HydrophobicContact CD1-CD2 3.96Å; L355-L367 HydrophobicContact CD1-CD1 3.93Å; L355-L376 HydrophobicContact CD1-CD1 4.28Å; L355-N377 WeakPolarHBondContact CA-O 3.39Å; L355-N377 PolarHBondContact N-O 3.45Å; L355-A378 HydrophobicContact CB-CB 4.38Å; L355-N381 PolarHBondContact O-ND2 2.97Å | ||
| 356 | S | 90.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 157.7 | -174.2 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | H312 N313 D354 N358 N377 S379 | H312-S356 WeakPolarHBondContact CA-O 3.11Å; H312-S356 PolarHBondContact ND1-OG 2.85Å; N313-S356 PolarHBondContact N-O 3.43Å; D354-S356 VanDerWaalsContact OD1-CB 3.25Å; D354-S356 WeakPolarHBondContact OD1-CB 3.14Å; D354-S356 PolarHBondContact OD1-N 3.08Å; D354-S356 PolarHBondContact OD1-OG 2.7Å; S356-N358 PolarHBondContact O-N 2.93Å; S356-N358 PolarHBondContact O-ND2 3.19Å; S356-N358 VanDerWaalsContact O-ND2 3.17Å; S356-N377 WeakPolarHBondContact CB-ND2 3.42Å; S356-N377 PolarHBondContact OG-ND2 3.24Å; S356-S379 WeakPolarHBondContact CA-O 3.32Å; S356-S379 VanDerWaalsContact CB-O 3.27Å; S356-S379 WeakPolarHBondContact CB-O 3.42Å; S356-S379 WeakPolarHBondContact CB-OG 3.34Å |
| 357 | M | 89.2 | Confident | 88.5 | Confident | 100 Ų | 100 | 25.7 Ų | 25.7 | 49% | 0.493 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 27.7 | -177.8 | -65.9 | -71.4 | -65.5 | 0 | 0 | 114.5 | N313 S379 S380 | N313-M357 HydrophobicContact CB-CB 4.12Å; M357-S379 PolarHBondContact N-O 2.96Å; M357-S380 WeakPolarHBondContact CA-O 3.32Å; M357-S380 PolarHBondContact N-O 3.32Å |
| 358 | N | 90.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -99 | -168 | 173.6 | -77.5 | -78.8 | 0 | 0 | 0 | 111.4 | W311 A314 Y315 M316 L355 S356 L360 N381 | W311-N358 PolarHBondContact O-ND2 3.18Å; A314-N358 VanDerWaalsContact C-OD1 3.31Å; A314-N358 WeakPolarHBondContact CA-OD1 3.41Å; A314-N358 PolarHBondContact N-OD1 3.31Å; Y315-N358 PolarHBondContact N-OD1 3.06Å; M316-N358 HydrophobicContact CB-CB 4.44Å; M316-N358 PolarHBondContact N-OD1 3.28Å; L355-N358 VanDerWaalsContact C-ND2 3.28Å; L355-N358 PolarHBondContact O-ND2 3.34Å; S356-N358 PolarHBondContact O-N 2.93Å; S356-N358 PolarHBondContact O-ND2 3.19Å; S356-N358 VanDerWaalsContact O-ND2 3.17Å; N358-L360 HydrophobicContact CB-CG 4.08Å; N358-N381 WeakPolarHBondContact CA-OD1 3.43Å; N358-N381 WeakPolarHBondContact CB-OD1 3.4Å; N358-N381 PolarHBondContact N-OD1 3.4Å; N358-N381 PolarHBondContact O-OD1 3.18Å |
| 359 | K | 87.8 | Confident | 88.2 | Confident | 137 Ų | 137 | 28.4 Ų | 28.4 | 60% | 0.596 | 14% | 0.137 | S | C | * | . | trans | -116.8 | 31.4 | 177.4 | -62.3 | -175.7 | -178.9 | 177.8 | 0 | 111.6 | M316 T361 N381 | M316-K359 CarbonylContact O-C 3.42Å; M316-K359 PolarHBondContact O-N 3.44Å; M316-K359 VanDerWaalsContact O-N 3.09Å; K359-T361 PolarHBondContact O-N 2.91Å; K359-N381 PolarHBondContact N-OD1 3.45Å | ||
| 360 | L | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -65.3 | 132.7 | -179.6 | -58.5 | 178.2 | 0 | 0 | 0 | 110 | M316 V319 L355 N358 N381 C382 I383 | M316-L360 HydrophobicContact CB-CD2 4.09Å; V319-L360 HydrophobicContact CG2-CD1 4.12Å; V319-L360 HydrophobicContact CG2-CD2 4.02Å; L355-L360 HydrophobicContact CB-CD1 3.87Å; L355-L360 HydrophobicContact CD1-CD1 4.03Å; L355-L360 HydrophobicContact CG-CD1 4.44Å; N358-L360 HydrophobicContact CB-CG 4.08Å; L360-N381 HydrophobicContact CB-CB 4.45Å; L360-N381 WeakPolarHBondContact CB-OD1 3.23Å; L360-N381 WeakPolarHBondContact CG-OD1 3.49Å; L360-N381 PolarHBondContact N-OD1 2.75Å; L360-C382 CarbonylContact O-C 3.41Å; L360-C382 VanDerWaalsContact O-CA 3.31Å; L360-C382 WeakPolarHBondContact O-CA 3.46Å; L360-C382 PolarHBondContact O-N 3.46Å; L360-I383 HydrophobicContact CB-CG1 4.15Å; L360-I383 PolarHBondContact O-N 3.38Å | ||
| 361 | T | 90.5 | Very high | 87.7 | Confident | 69 Ų | 69 | 28.9 Ų | 28.9 | 42% | 0.423 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -103.9 | -19.7 | 178.5 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | K359 C382 I383 T384 | K359-T361 PolarHBondContact O-N 2.91Å; T361-C382 HydrophobicContact CG2-CB 4.44Å; T361-I383 WeakPolarHBondContact O-CA 3.21Å; T361-T384 PolarHBondContact O-N 3.37Å; T361-T384 PolarHBondContact O-OG1 2.73Å |
| 362 | Y | 90.9 | Very high | 87.6 | Confident | 77 Ų | 77 | 28.9 Ų | 28.9 | 30% | 0.302 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 155.9 | 172.4 | 65.1 | -83 | 0 | 0 | 0 | 110.1 | A318 S385 M387 | A318-Y362 HydrophobicContact CB-CE1 4.35Å; Y362-S385 VanDerWaalsContact CA-O 3.28Å; Y362-S385 WeakPolarHBondContact CA-O 3.41Å; Y362-M387 HydrophobicContact CD2-CE 4.01Å; Y362-M387 HydrophobicContact CD2-CG 4.27Å; Y362-M387 HydrophobicContact CD2-SD 3.89Å; Y362-M387 HydrophobicContact CE2-SD 4.27Å; Y362-M387 HydrophobicContact CG-CE 4.14Å |
| 363 | L | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.4 | 167.8 | -87.1 | 163.7 | 0 | 0 | 0 | 110 | L355 L367 F368 A378 I383 S385 I386 M387 L411 | L355-L363 HydrophobicContact CD1-CD2 3.96Å; L363-L367 HydrophobicContact CD2-CD1 3.51Å; L363-F368 HydrophobicContact CB-CE2 4.45Å; L363-A378 HydrophobicContact CD1-CB 4.16Å; L363-A378 HydrophobicContact CD2-CB 4.33Å; L363-I383 HydrophobicContact CD1-CD1 3.9Å; L363-I383 HydrophobicContact CG-CD1 3.93Å; L363-S385 PolarHBondContact N-O 3.24Å; L363-I386 HydrophobicContact CB-CG2 4.17Å; L363-I386 HydrophobicContact CD1-CG1 4.36Å; L363-M387 WeakPolarHBondContact O-CB 3.39Å; L363-M387 PolarHBondContact O-N 2.97Å; L363-L411 HydrophobicContact CD1-CD2 3.46Å; L363-L411 VanDerWaalsContact CD1-CD2 3.46Å |
| 364 | P | 86.3 | Confident | 87.3 | Confident | 16 Ų | 16 | 29.9 Ų | 29.9 | 10% | 0.104 | 14% | 0.144 | C | C | . | . | trans | -76.3 | 151.2 | 176 | 31.1 | -35.6 | 0 | 0 | 0 | 112.7 | V319 S366 L367 | V319-P364 HydrophobicContact CB-CG 4.16Å; V319-P364 HydrophobicContact CG1-CG 4.42Å; P364-S366 VanDerWaalsContact C-N 3.27Å; P364-S366 PolarHBondContact O-N 3.42Å; P364-L367 HydrophobicContact CG-CD1 3.9Å; P364-L367 HydrophobicContact CG-CG 4.2Å | ||
| 365 | S | 79 | Confident | 87.4 | Confident | 27 Ų | 27 | 29.4 Ų | 29.4 | 19% | 0.189 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -65.3 | -25 | -178.6 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | L367 F368 M387 | S365-L367 VanDerWaalsContact C-N 3.33Å; S365-L367 PolarHBondContact O-N 3.01Å; S365-F368 PolarHBondContact O-N 2.88Å; S365-F368 VanDerWaalsContact O-N 3.16Å; S365-M387 WeakPolarHBondContact CA-O 3.3Å; S365-M387 VanDerWaalsContact CB-O 3.29Å; S365-M387 WeakPolarHBondContact CB-O 3.49Å; S365-M387 PolarHBondContact N-O 2.95Å |
| 366 | S | 79.5 | Confident | 87.4 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 8% | 0.077 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -63.3 | -33.5 | -178.2 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | E321 P364 F368 R369 | E321-S366 WeakPolarHBondContact OE1-CB 3.45Å; P364-S366 VanDerWaalsContact C-N 3.27Å; P364-S366 PolarHBondContact O-N 3.42Å; S366-F368 PolarHBondContact O-N 3.2Å; S366-R369 WeakPolarHBondContact O-CB 3.45Å; S366-R369 PolarHBondContact O-N 2.88Å |
| 367 | L | 87.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -58.5 | -31.9 | 175 | -70 | 167.4 | 0 | 0 | 0 | 112.3 | L324 I353 L355 L363 P364 S365 R369 L370 L373 | L324-L367 HydrophobicContact CD1-CD2 3.74Å; L324-L367 HydrophobicContact CD1-CG 4.47Å; L324-L367 HydrophobicContact CD2-CD2 4.31Å; I353-L367 HydrophobicContact CD1-CD2 3.49Å; I353-L367 VanDerWaalsContact CD1-CD2 3.49Å; L355-L367 HydrophobicContact CD1-CD1 3.93Å; L363-L367 HydrophobicContact CD2-CD1 3.51Å; P364-L367 HydrophobicContact CG-CD1 3.9Å; P364-L367 HydrophobicContact CG-CG 4.2Å; S365-L367 VanDerWaalsContact C-N 3.33Å; S365-L367 PolarHBondContact O-N 3.01Å; L367-R369 VanDerWaalsContact C-N 3.3Å; L367-R369 PolarHBondContact O-N 3.17Å; L367-L370 HydrophobicContact CD2-CD1 4.27Å; L367-L370 WeakPolarHBondContact O-CG 3.45Å; L367-L373 WeakPolarHBondContact O-CD2 3.23Å |
| 368 | F | 83.6 | Confident | 87.7 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -85.9 | 1.6 | -179.6 | -61.7 | -74 | 0 | 0 | 0 | 113.9 | L363 S365 S366 L376 I386 A403 L406 L423 F426 | L363-F368 HydrophobicContact CB-CE2 4.45Å; S365-F368 PolarHBondContact O-N 2.88Å; S365-F368 VanDerWaalsContact O-N 3.16Å; S366-F368 PolarHBondContact O-N 3.2Å; F368-L376 HydrophobicContact CE1-CD2 3.86Å; F368-L376 HydrophobicContact CZ-CD2 3.99Å; F368-I386 HydrophobicContact CE2-CG2 3.58Å; F368-I386 HydrophobicContact CZ-CG2 3.88Å; F368-A403 WeakPolarHBondContact O-CB 3.5Å; F368-A403 PolarHBondContact O-N 3.39Å; F368-L406 HydrophobicContact CD1-CD2 4.33Å; F368-L423 HydrophobicContact CE1-CD2 4.02Å; F368-F426 HydrophobicContact CB-CZ 4.01Å; F368-F426 AromaticContact CD1-CE2 3.96Å; F368-F426 HydrophobicContact CD1-CE2 3.96Å; F368-F426 AromaticContact CD1-CZ 3.71Å; F368-F426 HydrophobicContact CD1-CZ 3.71Å; F368-F426 HydrophobicContact CG-CZ 4.23Å |
| 369 | R | 79.3 | Confident | 87.8 | Confident | 66 Ų | 66 | 25.9 Ų | 25.9 | 25% | 0.249 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -101.6 | 0.6 | 172 | -60.4 | 179 | 177.8 | 158.7 | 2.7 | 113.1 | S366 L367 S371 E389 | S366-R369 WeakPolarHBondContact O-CB 3.45Å; S366-R369 PolarHBondContact O-N 2.88Å; L367-R369 VanDerWaalsContact C-N 3.3Å; L367-R369 PolarHBondContact O-N 3.17Å; R369-S371 PolarHBondContact O-N 3.21Å; R369-S371 VanDerWaalsContact O-N 3.1Å; R369-E389 IonicContact CZ-OE2 3.42Å; R369-E389 IonicContact NH1-OE2 3.25Å; R369-E389 IonicContact NH2-OE2 3.68Å; R369-E389 PolarHBondContact NH2-OE2 3.33Å |
| 370 | L | 85.8 | Confident | 88 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | trans | -76.9 | 99 | -178.8 | -62.3 | -179.8 | 0 | 0 | 0 | 109.5 | I353 L367 S372 L373 A403 | I353-L370 HydrophobicContact CD1-CD1 3.48Å; I353-L370 VanDerWaalsContact CD1-CD1 3.48Å; L367-L370 HydrophobicContact CD2-CD1 4.27Å; L367-L370 WeakPolarHBondContact O-CG 3.45Å; L370-S372 VanDerWaalsContact C-N 3.26Å; L370-S372 PolarHBondContact O-N 2.83Å; L370-L373 HydrophobicContact CB-CB 3.65Å; L370-L373 HydrophobicContact CB-CD2 4.33Å; L370-L373 HydrophobicContact CD1-CD2 4.28Å; L370-L373 WeakPolarHBondContact O-CB 3.47Å; L370-L373 PolarHBondContact O-N 3.21Å; L370-A403 WeakPolarHBondContact O-CA 3.46Å; L370-A403 VanDerWaalsContact O-CB 3.32Å; L370-A403 WeakPolarHBondContact O-CB 3.25Å | ||
| 371 | S | 81.1 | Confident | 88.1 | Confident | 6 Ų | 6 | 22.2 Ų | 22.2 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.8 | -170.4 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | N278 S348 R369 | N278-S371 PolarHBondContact ND2-O 3.4Å; N278-S371 VanDerWaalsContact ND2-O 3.12Å; S348-S371 WeakPolarHBondContact CB-OG 3.14Å; S348-S371 PolarHBondContact OG-OG 3.46Å; R369-S371 PolarHBondContact O-N 3.21Å; R369-S371 VanDerWaalsContact O-N 3.1Å |
| 372 | S | 88.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -6.7 | 176.6 | -52.2 | 0 | 0 | 0 | 0 | 114.5 | N278 S348 I350 L370 R374 | N278-S372 WeakPolarHBondContact CB-OG 3.45Å; N278-S372 PolarHBondContact N-OG 3.36Å; S348-S372 WeakPolarHBondContact O-CB 3.22Å; S348-S372 PolarHBondContact O-OG 3.28Å; I350-S372 CarbonylContact O-C 3.42Å; L370-S372 VanDerWaalsContact C-N 3.26Å; L370-S372 PolarHBondContact O-N 2.83Å; S372-R374 PolarHBondContact O-N 3.49Å |
| 373 | L | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -64.5 | 127.6 | -174.1 | -174.9 | 72 | 0 | 0 | 0 | 109.9 | I350 I353 L367 L370 L376 C405 L406 | I350-L373 HydrophobicContact CG2-CD1 4.23Å; I350-L373 WeakPolarHBondContact O-CA 3.41Å; I350-L373 PolarHBondContact O-N 2.84Å; I353-L373 HydrophobicContact CB-CD1 4.03Å; I353-L373 HydrophobicContact CD1-CD1 3.77Å; I353-L373 HydrophobicContact CD1-CD2 4.31Å; I353-L373 HydrophobicContact CG1-CD1 3.61Å; L367-L373 WeakPolarHBondContact O-CD2 3.23Å; L370-L373 HydrophobicContact CB-CB 3.65Å; L370-L373 HydrophobicContact CB-CD2 4.33Å; L370-L373 HydrophobicContact CD1-CD2 4.28Å; L370-L373 WeakPolarHBondContact O-CB 3.47Å; L370-L373 PolarHBondContact O-N 3.21Å; L373-L376 HydrophobicContact CD2-CB 4.28Å; L373-C405 CarbonylContact O-C 3.58Å; L373-L406 HydrophobicContact CD2-CD1 3.98Å; L373-L406 HydrophobicContact CG-CD1 3.91Å; L373-L406 WeakPolarHBondContact O-CA 3.44Å; L373-L406 PolarHBondContact O-N 3.35Å | ||
| 374 | R | 90.4 | Very high | 88.4 | Confident | 54 Ų | 54 | 22 Ų | 22 | 20% | 0.204 | 13% | 0.125 | C | C | . | . | trans | -115.6 | -37.1 | -176.7 | -75.4 | 164.8 | 166 | -81.3 | 0.2 | 113.1 | Y275 T351 S372 C405 E407 E408 | Y275-R374 HydrophobicContact CD2-CB 4.23Å; Y275-R374 VanDerWaalsContact CE1-NH1 3.26Å; Y275-R374 HydrophobicContact CE2-CB 3.96Å; T351-R374 PolarHBondContact O-N 3.4Å; S372-R374 PolarHBondContact O-N 3.49Å; R374-C405 WeakPolarHBondContact CA-O 3.41Å; R374-C405 HydrophobicContact CG-CB 3.78Å; R374-C405 VanDerWaalsContact CG-O 3.28Å; R374-C405 WeakPolarHBondContact CG-O 3.25Å; R374-E407 IonicContact CZ-OE1 3.79Å; R374-E407 IonicContact NH1-OE1 3.77Å; R374-E407 PolarHBondContact NH1-OE1 3.21Å; R374-E407 IonicContact NH1-OE2 2.63Å; R374-E407 PolarHBondContact NH1-OE2 2.77Å; R374-E407 WeakPolarHBondContact O-CA 3.1Å; R374-E407 PolarHBondContact O-N 2.93Å; R374-E408 PolarHBondContact O-N 3.1Å | ||
| 375 | I | 93 | Very high | 88.4 | Confident | 28 Ų | 28 | 23.6 Ų | 23.6 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.9 | 176.7 | -53.3 | -170.9 | 0 | 0 | 0 | 110.1 | Y275 T351 R352 I353 E408 Y410 | Y275-I375 HydrophobicContact CE2-CD1 4.47Å; Y275-I375 HydrophobicContact CE2-CG1 4.5Å; T351-I375 PolarHBondContact O-N 3.46Å; R352-I375 HydrophobicContact CG-CB 4.2Å; R352-I375 HydrophobicContact CG-CG1 4.43Å; I353-I375 PolarHBondContact N-O 2.97Å; I375-E408 WeakPolarHBondContact CA-O 3.42Å; I375-E408 HydrophobicContact CG1-CB 4.21Å; I375-E408 HydrophobicContact CG1-CG 4.46Å; I375-E408 HydrophobicContact CG2-CB 4.24Å; I375-Y410 HydrophobicContact CG2-CE2 4.41Å |
| 376 | L | 93.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 107.5 | 171.8 | 178.8 | 60.3 | 0 | 0 | 0 | 110.1 | I353 L355 F368 L373 L406 E408 I409 Y410 | I353-L376 HydrophobicContact CB-CD1 3.98Å; I353-L376 HydrophobicContact CG2-CD1 3.73Å; I353-L376 WeakPolarHBondContact O-CA 3.17Å; L355-L376 HydrophobicContact CD1-CD1 4.28Å; F368-L376 HydrophobicContact CE1-CD2 3.86Å; F368-L376 HydrophobicContact CZ-CD2 3.99Å; L373-L376 HydrophobicContact CD2-CB 4.28Å; L376-L406 HydrophobicContact CB-CD1 4.18Å; L376-E408 PolarHBondContact N-O 3.16Å; L376-I409 WeakPolarHBondContact O-CA 3.41Å; L376-Y410 PolarHBondContact O-N 3.36Å |
| 377 | N | 93 | Very high | 88.5 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.2 | 170.8 | -178.2 | 14.3 | 0 | 0 | 0 | 110.5 | I353 D354 L355 S356 S379 Y410 | I353-N377 PolarHBondContact O-N 2.85Å; D354-N377 HydrophobicContact CB-CB 4.42Å; D354-N377 VanDerWaalsContact CG-ND2 3.33Å; D354-N377 PolarHBondContact OD1-ND2 3.12Å; D354-N377 PolarHBondContact OD2-ND2 2.91Å; L355-N377 WeakPolarHBondContact CA-O 3.39Å; L355-N377 PolarHBondContact N-O 3.45Å; S356-N377 WeakPolarHBondContact CB-ND2 3.42Å; S356-N377 PolarHBondContact OG-ND2 3.24Å; N377-S379 WeakPolarHBondContact OD1-CB 3.49Å; N377-S379 PolarHBondContact OD1-N 3.12Å; N377-S379 VanDerWaalsContact OD1-N 3.1Å; N377-S379 PolarHBondContact OD1-OG 3.32Å; N377-Y410 HydrophobicContact CB-CD2 4.45Å |
| 378 | A | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -133.4 | 24.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L355 L363 N381 I383 Y410 L411 N414 | L355-A378 HydrophobicContact CB-CB 4.38Å; L363-A378 HydrophobicContact CD1-CB 4.16Å; L363-A378 HydrophobicContact CD2-CB 4.33Å; A378-N381 PolarHBondContact O-ND2 3.26Å; A378-I383 HydrophobicContact CB-CD1 4.01Å; A378-Y410 CarbonylContact C-O 3.07Å; A378-Y410 PolarHBondContact N-O 3.17Å; A378-L411 HydrophobicContact CB-CD2 4.14Å; A378-N414 PolarHBondContact O-ND2 2.98Å; A378-N414 VanDerWaalsContact O-ND2 3.09Å | ||
| 379 | S | 91.6 | Very high | 86.1 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | trans | -61.2 | 158.4 | 177.3 | 59.7 | 0 | 0 | 0 | 0 | 113 | S356 M357 N377 N381 Y410 D412 | S356-S379 WeakPolarHBondContact CA-O 3.32Å; S356-S379 VanDerWaalsContact CB-O 3.27Å; S356-S379 WeakPolarHBondContact CB-O 3.42Å; S356-S379 WeakPolarHBondContact CB-OG 3.34Å; M357-S379 PolarHBondContact N-O 2.96Å; N377-S379 WeakPolarHBondContact OD1-CB 3.49Å; N377-S379 PolarHBondContact OD1-N 3.12Å; N377-S379 VanDerWaalsContact OD1-N 3.1Å; N377-S379 PolarHBondContact OD1-OG 3.32Å; S379-N381 PolarHBondContact O-N 3.32Å; S379-N381 PolarHBondContact O-ND2 3.21Å; S379-N381 VanDerWaalsContact O-ND2 3.13Å; S379-Y410 PolarHBondContact N-O 3.49Å; S379-D412 CarbonylContact C-O 3.56Å; S379-D412 VanDerWaalsContact CA-O 3.22Å; S379-D412 WeakPolarHBondContact CA-O 3.3Å; S379-D412 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 380 | S | 93 | Very high | 84.5 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 52.9 | 56 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | M357 D412 H413 | M357-S380 WeakPolarHBondContact CA-O 3.32Å; M357-S380 PolarHBondContact N-O 3.32Å; S380-D412 PolarHBondContact N-O 2.91Å; S380-H413 VanDerWaalsContact CA-O 3.31Å; S380-H413 WeakPolarHBondContact CA-O 3.43Å; S380-H413 PolarHBondContact N-O 3.07Å |
| 381 | N | 92.1 | Very high | 82.6 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -126.2 | -165.1 | 176.7 | -91 | -87.7 | 0 | 0 | 0 | 109.8 | L355 N358 K359 L360 A378 S379 I383 H413 N414 | L355-N381 PolarHBondContact O-ND2 2.97Å; N358-N381 WeakPolarHBondContact CA-OD1 3.43Å; N358-N381 WeakPolarHBondContact CB-OD1 3.4Å; N358-N381 PolarHBondContact N-OD1 3.4Å; N358-N381 PolarHBondContact O-OD1 3.18Å; K359-N381 PolarHBondContact N-OD1 3.45Å; L360-N381 HydrophobicContact CB-CB 4.45Å; L360-N381 WeakPolarHBondContact CB-OD1 3.23Å; L360-N381 WeakPolarHBondContact CG-OD1 3.49Å; L360-N381 PolarHBondContact N-OD1 2.75Å; A378-N381 PolarHBondContact O-ND2 3.26Å; S379-N381 PolarHBondContact O-N 3.32Å; S379-N381 PolarHBondContact O-ND2 3.21Å; S379-N381 VanDerWaalsContact O-ND2 3.13Å; N381-I383 HydrophobicContact CB-CD1 3.93Å; N381-I383 HydrophobicContact CB-CG1 3.89Å; N381-H413 PolarHBondContact N-O 3.06Å; N381-N414 WeakPolarHBondContact CA-OD1 3.4Å; N381-N414 WeakPolarHBondContact CB-OD1 3.44Å; N381-N414 PolarHBondContact N-OD1 2.92Å; N381-N414 PolarHBondContact O-OD1 3.3Å |
| 382 | C | 92.2 | Very high | 80.8 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 46% | 0.459 | 27% | 0.268 | S | S | . | . | trans | -115.4 | 29.7 | 176.2 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | L360 T361 T384 | L360-C382 CarbonylContact O-C 3.41Å; L360-C382 VanDerWaalsContact O-CA 3.31Å; L360-C382 WeakPolarHBondContact O-CA 3.46Å; L360-C382 PolarHBondContact O-N 3.46Å; T361-C382 HydrophobicContact CG2-CB 4.44Å; C382-T384 PolarHBondContact O-N 2.8Å | ||
| 383 | I | 92.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -70.1 | 122.9 | -168.9 | -60 | 162 | 0 | 0 | 0 | 109.8 | L360 T361 L363 A378 N381 S385 I386 N414 S415 L416 | L360-I383 HydrophobicContact CB-CG1 4.15Å; L360-I383 PolarHBondContact O-N 3.38Å; T361-I383 WeakPolarHBondContact O-CA 3.21Å; L363-I383 HydrophobicContact CD1-CD1 3.9Å; L363-I383 HydrophobicContact CG-CD1 3.93Å; A378-I383 HydrophobicContact CB-CD1 4.01Å; N381-I383 HydrophobicContact CB-CD1 3.93Å; N381-I383 HydrophobicContact CB-CG1 3.89Å; I383-S385 VanDerWaalsContact CG2-O 3.31Å; I383-S385 WeakPolarHBondContact CG2-O 3.32Å; I383-I386 HydrophobicContact CG2-CG1 4.48Å; I383-N414 HydrophobicContact CB-CB 4.36Å; I383-N414 VanDerWaalsContact CB-OD1 3.28Å; I383-N414 WeakPolarHBondContact CB-OD1 3.41Å; I383-N414 WeakPolarHBondContact CG1-OD1 3.46Å; I383-N414 PolarHBondContact N-OD1 2.84Å; I383-S415 CarbonylContact O-C 3.37Å; I383-S415 WeakPolarHBondContact O-CA 3.35Å; I383-S415 PolarHBondContact O-N 3.34Å; I383-L416 HydrophobicContact CG2-CD2 3.82Å; I383-L416 PolarHBondContact O-N 3.43Å | ||
| 384 | T | 90.3 | Very high | 76 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | trans | -106.3 | -23 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 113 | T361 C382 | T361-T384 PolarHBondContact O-N 3.37Å; T361-T384 PolarHBondContact O-OG1 2.73Å; C382-T384 PolarHBondContact O-N 2.8Å | ||
| 385 | S | 86.9 | Confident | 73.4 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 154.1 | 176.1 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | Y362 L363 I383 | Y362-S385 VanDerWaalsContact CA-O 3.28Å; Y362-S385 WeakPolarHBondContact CA-O 3.41Å; L363-S385 PolarHBondContact N-O 3.24Å; I383-S385 VanDerWaalsContact CG2-O 3.31Å; I383-S385 WeakPolarHBondContact CG2-O 3.32Å |
| 386 | I | 85.7 | Confident | 70.6 | Confident | 15 Ų | 15 | 76.7 Ų | 76.7 | 8% | 0.077 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.6 | 173.5 | -56.9 | 179 | 0 | 0 | 0 | 106 | L363 F368 I383 V388 L411 L416 P420 L423 | L363-I386 HydrophobicContact CB-CG2 4.17Å; L363-I386 HydrophobicContact CD1-CG1 4.36Å; F368-I386 HydrophobicContact CE2-CG2 3.58Å; F368-I386 HydrophobicContact CZ-CG2 3.88Å; I383-I386 HydrophobicContact CG2-CG1 4.48Å; I386-V388 HydrophobicContact CG2-CG2 4.38Å; I386-L411 HydrophobicContact CD1-CD1 3.8Å; I386-L411 HydrophobicContact CD1-CD2 4.32Å; I386-L416 HydrophobicContact CD1-CD1 4.2Å; I386-L416 HydrophobicContact CD1-CD2 4.25Å; I386-L416 HydrophobicContact CG1-CD2 3.91Å; I386-P420 HydrophobicContact CB-CG 4.07Å; I386-P420 HydrophobicContact CG2-CG 4.24Å; I386-L423 HydrophobicContact CD1-CD1 3.67Å |
| 387 | M | 75.4 | Confident | 67.9 | Low | 97 Ų | 97 | 82 Ų | 82 | 48% | 0.478 | 43% | 0.431 | S | S | . | . | trans | -80 | 125.8 | -178.9 | -64.9 | -167.9 | 176.4 | 0 | 0 | 109.9 | Y362 L363 S365 | Y362-M387 HydrophobicContact CD2-CE 4.01Å; Y362-M387 HydrophobicContact CD2-CG 4.27Å; Y362-M387 HydrophobicContact CD2-SD 3.89Å; Y362-M387 HydrophobicContact CE2-SD 4.27Å; Y362-M387 HydrophobicContact CG-CE 4.14Å; L363-M387 WeakPolarHBondContact O-CB 3.39Å; L363-M387 PolarHBondContact O-N 2.97Å; S365-M387 WeakPolarHBondContact CA-O 3.3Å; S365-M387 VanDerWaalsContact CB-O 3.29Å; S365-M387 WeakPolarHBondContact CB-O 3.49Å; S365-M387 PolarHBondContact N-O 2.95Å | ||
| 388 | V | 63.6 | Low | 65.2 | Low | 50 Ų | 50 | 84 Ų | 84 | 30% | 0.303 | 46% | 0.458 | S | S | . | . | trans | -134.7 | 129.3 | 175 | 179.8 | 0 | 0 | 0 | 0 | 106 | I386 P420 I422 | I386-V388 HydrophobicContact CG2-CG2 4.38Å; V388-P420 HydrophobicContact CG2-CB 4.12Å; V388-P420 HydrophobicContact CG2-CG 3.88Å; V388-I422 HydrophobicContact CB-CG2 4.41Å; V388-I422 HydrophobicContact CG1-CB 4.16Å; V388-I422 HydrophobicContact CG1-CD1 3.68Å; V388-I422 HydrophobicContact CG1-CG2 3.77Å; V388-I422 HydrophobicContact CG2-CG2 3.77Å | ||
| 389 | E | 56.7 | Low | 62.7 | Low | 117 Ų | 117 | 91.5 Ų | 91.5 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | trans | -79 | 129.6 | 174.1 | -68.5 | -170.4 | 125.5 | 0 | 0 | 109.7 | R369 T391 | R369-E389 IonicContact CZ-OE2 3.42Å; R369-E389 IonicContact NH1-OE2 3.25Å; R369-E389 IonicContact NH2-OE2 3.68Å; R369-E389 PolarHBondContact NH2-OE2 3.33Å; E389-T391 PolarHBondContact O-N 3.2Å | ||
| 390 | D | 46.5 | Very low | 60.5 | Low | 111 Ų | 111 | 94.9 Ų | 94.9 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | trans | -77.8 | 89.4 | -173.8 | -157.3 | -5.8 | 0 | 0 | 0 | 109.6 | R392 | D390-R392 PolarHBondContact O-N 3.04Š| ||
| 391 | T | 45.6 | Very low | 58.5 | Low | 106 Ų | 106 | 94.4 Ų | 94.4 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | trans | -61.7 | -6.5 | -170.8 | 50.3 | 0 | 0 | 0 | 0 | 114.8 | E389 R393 | E389-T391 PolarHBondContact O-N 3.2Å; T391-R393 PolarHBondContact O-N 2.79Å | ||
| 392 | R | 43.1 | Very low | 57 | Low | 193 Ų | 193 | 97.2 Ų | 97.2 | 73% | 0.728 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 22.9 | 179.2 | -57 | 177.8 | -179.2 | 157.2 | 4.2 | 114.3 | D390 | D390-R392 PolarHBondContact O-N 3.04Š|
| 393 | R | 39.6 | Very low | 55.8 | Low | 217 Ų | 217 | 94 Ų | 94 | 82% | 0.819 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.8 | 7.7 | -172.8 | -79.7 | -169.4 | 170.4 | -178.9 | -1.2 | 116.3 | T391 | T391-R393 PolarHBondContact O-N 2.79Š|
| 394 | T | 38.3 | Very low | 55 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 60% | 0.595 | 53% | 0.528 | S | S | * | . | trans | -135.9 | 80.2 | -177.1 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | N396 | T394-N396 PolarHBondContact O-N 2.98Š| ||
| 395 | D | 36.6 | Very low | 54.7 | Low | 159 Ų | 159 | 93.4 Ų | 93.4 | 85% | 0.85 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 25.1 | -171.6 | -52.6 | -55.7 | 0 | 0 | 0 | 115.5 | ||
| 396 | N | 34.6 | Very low | 54.8 | Low | 157 Ų | 157 | 91.1 Ų | 91.1 | 84% | 0.84 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153 | 21.9 | -167.9 | -113.2 | -38 | 0 | 0 | 0 | 116.9 | T394 | T394-N396 PolarHBondContact O-N 2.98Š|
| 397 | V | 35.2 | Very low | 55.1 | Low | 112 Ų | 112 | 92.4 Ų | 92.4 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -131.7 | 126.4 | 166.7 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | V400 | V397-V400 HydrophobicContact CG1-CG2 4.37Š|
| 398 | G | 36.5 | Very low | 56 | Low | 68 Ų | 68 | 90.5 Ų | 90.5 | 70% | 0.701 | 49% | 0.491 | S | S | * | . | trans | -71.7 | 135 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V400 | G398-V400 PolarHBondContact O-N 2.96Å; G398-V400 VanDerWaalsContact O-N 3.1Å | ||
| 399 | D | 41.5 | Very low | 57.4 | Low | 158 Ų | 158 | 88.1 Ų | 88.1 | 85% | 0.845 | 48% | 0.476 | S | S | * | . | trans | 35.5 | 58.7 | 152.8 | -137.6 | 9.9 | 0 | 0 | 0 | 116.9 | G401 | D399-G401 PolarHBondContact O-N 3.28Š| ||
| 400 | V | 45.9 | Very low | 59.2 | Low | 85 Ų | 85 | 85.7 Ų | 85.7 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | trans | -71.9 | 93.1 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V397 G398 L402 | V397-V400 HydrophobicContact CG1-CG2 4.37Å; G398-V400 PolarHBondContact O-N 2.96Å; G398-V400 VanDerWaalsContact O-N 3.1Å; V400-L402 PolarHBondContact O-N 3.49Å | ||
| 401 | G | 49.3 | Very low | 61.4 | Low | 36 Ų | 36 | 80.4 Ų | 80.4 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | trans | -49.6 | 116.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D399 | D399-G401 PolarHBondContact O-N 3.28Š| ||
| 402 | L | 62 | Low | 63.8 | Low | 72 Ų | 72 | 76.3 Ų | 76.3 | 38% | 0.377 | 41% | 0.408 | S | S | . | . | trans | -57.6 | 153.9 | 160.3 | -77.1 | 160.7 | 0 | 0 | 0 | 109.8 | V400 C404 I422 F426 | V400-L402 PolarHBondContact O-N 3.49Å; L402-C404 PolarHBondContact O-N 2.77Å; L402-I422 HydrophobicContact CD1-CD1 4.44Å; L402-I422 HydrophobicContact CD1-CG1 4.49Å; L402-I422 HydrophobicContact CD2-CD1 3.7Å; L402-I422 HydrophobicContact CD2-CG1 4.06Å; L402-F426 HydrophobicContact CB-CD1 4.31Å; L402-F426 HydrophobicContact CB-CE1 3.99Å; L402-F426 HydrophobicContact CD2-CE1 3.75Å; L402-F426 HydrophobicContact CD2-CZ 4.17Å; L402-F426 HydrophobicContact CG-CE1 4.44Å | ||
| 403 | A | 66.8 | Low | 66.2 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | trans | -59.3 | 79.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F368 L370 C405 L406 F426 | F368-A403 WeakPolarHBondContact O-CB 3.5Å; F368-A403 PolarHBondContact O-N 3.39Å; L370-A403 WeakPolarHBondContact O-CA 3.46Å; L370-A403 VanDerWaalsContact O-CB 3.32Å; L370-A403 WeakPolarHBondContact O-CB 3.25Å; A403-C405 VanDerWaalsContact C-N 3.26Å; A403-C405 PolarHBondContact O-N 3.44Å; A403-L406 HydrophobicContact CB-CB 4.06Å; A403-L406 HydrophobicContact CB-CD2 4.23Å; A403-L406 VanDerWaalsContact O-CB 3.29Å; A403-L406 WeakPolarHBondContact O-CB 3.49Å; A403-L406 PolarHBondContact O-N 3.41Å; A403-L406 VanDerWaalsContact O-N 3.15Å; A403-F426 HydrophobicContact CB-CD1 4.38Å; A403-F426 HydrophobicContact CB-CE1 4.04Å; A403-F426 WeakPolarHBondContact O-CD1 3.46Å | ||
| 404 | C | 74.3 | Confident | 68.8 | Low | 47 Ų | 47 | 62 Ų | 62 | 32% | 0.318 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -13.9 | -167.7 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | N278 L402 P427 A428 | N278-C404 PolarHBondContact ND2-SG 3.27Å; L402-C404 PolarHBondContact O-N 2.77Å; C404-P427 HydrophobicContact CB-CG 4.02Å; C404-A428 WeakPolarHBondContact O-CB 3.4Å |
| 405 | C | 85.8 | Confident | 71.4 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2.9 | 170.9 | -73.7 | 0 | 0 | 0 | 0 | 114.6 | N278 L373 R374 A403 E407 | N278-C405 PolarHBondContact ND2-SG 3.36Å; L373-C405 CarbonylContact O-C 3.58Å; R374-C405 WeakPolarHBondContact CA-O 3.41Å; R374-C405 HydrophobicContact CG-CB 3.78Å; R374-C405 VanDerWaalsContact CG-O 3.28Å; R374-C405 WeakPolarHBondContact CG-O 3.25Å; A403-C405 VanDerWaalsContact C-N 3.26Å; A403-C405 PolarHBondContact O-N 3.44Å; C405-E407 PolarHBondContact O-N 3.17Å; C405-E407 VanDerWaalsContact O-N 3.07Å |
| 406 | L | 88.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -64.9 | 112.4 | -170.5 | -166.1 | 56.6 | 0 | 0 | 0 | 110.9 | F368 L373 L376 A403 I409 F426 A428 V429 | F368-L406 HydrophobicContact CD1-CD2 4.33Å; L373-L406 HydrophobicContact CD2-CD1 3.98Å; L373-L406 HydrophobicContact CG-CD1 3.91Å; L373-L406 WeakPolarHBondContact O-CA 3.44Å; L373-L406 PolarHBondContact O-N 3.35Å; L376-L406 HydrophobicContact CB-CD1 4.18Å; A403-L406 HydrophobicContact CB-CB 4.06Å; A403-L406 HydrophobicContact CB-CD2 4.23Å; A403-L406 VanDerWaalsContact O-CB 3.29Å; A403-L406 WeakPolarHBondContact O-CB 3.49Å; A403-L406 PolarHBondContact O-N 3.41Å; A403-L406 VanDerWaalsContact O-N 3.15Å; L406-I409 HydrophobicContact CD1-CG1 4.31Å; L406-I409 HydrophobicContact CD2-CD1 3.54Å; L406-I409 HydrophobicContact CD2-CG1 3.93Å; L406-I409 HydrophobicContact CG-CD1 3.93Å; L406-I409 HydrophobicContact CG-CG1 3.89Å; L406-F426 HydrophobicContact CD2-CD2 4.35Å; L406-F426 HydrophobicContact CD2-CE2 4.34Å; L406-A428 CarbonylContact O-C 3.54Å; L406-A428 VanDerWaalsContact O-CB 3.25Å; L406-A428 WeakPolarHBondContact O-CB 3.33Å; L406-V429 HydrophobicContact CB-CG2 4.33Å; L406-V429 HydrophobicContact CG-CG2 4.32Å; L406-V429 WeakPolarHBondContact O-CA 3.36Å; L406-V429 WeakPolarHBondContact O-CG2 3.39Å; L406-V429 PolarHBondContact O-N 3.28Å | ||
| 407 | E | 90.8 | Very high | 76.7 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | trans | -104.3 | -39.6 | -172.8 | -83 | 171 | 170.6 | 0 | 0 | 112.1 | Y275 R374 C405 A428 V430 T431 | Y275-E407 PolarHBondContact OH-OE2 3.28Å; R374-E407 IonicContact CZ-OE1 3.79Å; R374-E407 IonicContact NH1-OE1 3.77Å; R374-E407 PolarHBondContact NH1-OE1 3.21Å; R374-E407 IonicContact NH1-OE2 2.63Å; R374-E407 PolarHBondContact NH1-OE2 2.77Å; R374-E407 WeakPolarHBondContact O-CA 3.1Å; R374-E407 PolarHBondContact O-N 2.93Å; C405-E407 PolarHBondContact O-N 3.17Å; C405-E407 VanDerWaalsContact O-N 3.07Å; E407-A428 HydrophobicContact CG-CB 4.3Å; E407-V430 PolarHBondContact O-N 2.96Å; E407-T431 PolarHBondContact O-N 2.95Å; E407-T431 VanDerWaalsContact O-N 3.11Å | ||
| 408 | E | 93.7 | Very high | 79.3 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.6 | -178 | -54.8 | -166 | 167.3 | 0 | 0 | 113 | R374 I375 L376 Y410 T431 | R374-E408 PolarHBondContact O-N 3.1Å; I375-E408 WeakPolarHBondContact CA-O 3.42Å; I375-E408 HydrophobicContact CG1-CB 4.21Å; I375-E408 HydrophobicContact CG1-CG 4.46Å; I375-E408 HydrophobicContact CG2-CB 4.24Å; L376-E408 PolarHBondContact N-O 3.16Å; E408-Y410 HydrophobicContact CB-CE2 3.8Å; E408-Y410 WeakPolarHBondContact OE2-CE2 3.34Å; E408-Y410 PolarHBondContact OE2-OH 2.87Å; E408-T431 WeakPolarHBondContact CA-O 3.38Å |
| 409 | I | 93.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 120.7 | -179.2 | -53.3 | 178.2 | 0 | 0 | 0 | 110.2 | L376 L406 L411 L423 V429 T431 L432 N433 | L376-I409 WeakPolarHBondContact O-CA 3.41Å; L406-I409 HydrophobicContact CD1-CG1 4.31Å; L406-I409 HydrophobicContact CD2-CD1 3.54Å; L406-I409 HydrophobicContact CD2-CG1 3.93Å; L406-I409 HydrophobicContact CG-CD1 3.93Å; L406-I409 HydrophobicContact CG-CG1 3.89Å; I409-L411 HydrophobicContact CG2-CD1 3.78Å; I409-L411 HydrophobicContact CG2-CG 3.97Å; I409-L423 HydrophobicContact CD1-CD2 3.51Å; I409-L423 HydrophobicContact CG2-CD2 4.37Å; I409-V429 HydrophobicContact CD1-CG1 4.5Å; I409-V429 HydrophobicContact CD1-CG2 3.89Å; I409-V429 HydrophobicContact CG1-CG2 4.45Å; I409-T431 PolarHBondContact N-O 2.94Å; I409-L432 HydrophobicContact CB-CD1 3.77Å; I409-L432 HydrophobicContact CG2-CD1 3.84Å; I409-L432 WeakPolarHBondContact O-CA 3.07Å; I409-N433 PolarHBondContact O-N 3.42Å |
| 410 | Y | 94.7 | Very high | 83.9 | Confident | 66 Ų | 66 | 38 Ų | 38 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.8 | 178.6 | -58 | -88.3 | 0 | 0 | 0 | 110.9 | I375 L376 N377 A378 S379 E408 T431 N433 | I375-Y410 HydrophobicContact CG2-CE2 4.41Å; L376-Y410 PolarHBondContact O-N 3.36Å; N377-Y410 HydrophobicContact CB-CD2 4.45Å; A378-Y410 CarbonylContact C-O 3.07Å; A378-Y410 PolarHBondContact N-O 3.17Å; S379-Y410 PolarHBondContact N-O 3.49Å; E408-Y410 HydrophobicContact CB-CE2 3.8Å; E408-Y410 WeakPolarHBondContact OE2-CE2 3.34Å; E408-Y410 PolarHBondContact OE2-OH 2.87Å; Y410-T431 HydrophobicContact CE1-CG2 4.41Å; Y410-N433 HydrophobicContact CD1-CB 3.91Å |
| 411 | L | 94 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -127.2 | 13.6 | -176.6 | -71.2 | 165.4 | 0 | 0 | 0 | 112.3 | L363 A378 I386 I409 N414 L416 L423 N433 L434 N437 | L363-L411 HydrophobicContact CD1-CD2 3.46Å; L363-L411 VanDerWaalsContact CD1-CD2 3.46Å; A378-L411 HydrophobicContact CB-CD2 4.14Å; I386-L411 HydrophobicContact CD1-CD1 3.8Å; I386-L411 HydrophobicContact CD1-CD2 4.32Å; I409-L411 HydrophobicContact CG2-CD1 3.78Å; I409-L411 HydrophobicContact CG2-CG 3.97Å; L411-N414 PolarHBondContact O-ND2 2.96Å; L411-L416 HydrophobicContact CB-CD1 4.38Å; L411-L423 HydrophobicContact CD1-CD1 4.26Å; L411-N433 WeakPolarHBondContact CA-O 3.39Å; L411-N433 PolarHBondContact N-O 2.97Å; L411-L434 HydrophobicContact CB-CD2 3.89Å; L411-L434 HydrophobicContact CD1-CD2 3.91Å; L411-N437 PolarHBondContact O-ND2 2.96Å | ||
| 412 | D | 94.3 | Very high | 86.9 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | trans | -68.2 | 159.2 | -178.1 | 60.5 | -83.3 | 0 | 0 | 0 | 113.7 | S379 S380 N414 N433 S435 | S379-D412 CarbonylContact C-O 3.56Å; S379-D412 VanDerWaalsContact CA-O 3.22Å; S379-D412 WeakPolarHBondContact CA-O 3.3Å; S379-D412 WeakPolarHBondContact CB-OD1 3.35Å; S380-D412 PolarHBondContact N-O 2.91Å; D412-N414 PolarHBondContact O-ND2 3.18Å; D412-N433 WeakPolarHBondContact CB-ND2 3.42Å; D412-N433 VanDerWaalsContact CG-ND2 3.26Å; D412-N433 PolarHBondContact OD1-ND2 2.95Å; D412-S435 WeakPolarHBondContact CA-O 3.5Å; D412-S435 WeakPolarHBondContact CB-O 3.48Å; D412-S435 WeakPolarHBondContact CB-OG 3.36Å | ||
| 413 | H | 94.6 | Very high | 87.9 | Confident | 97 Ų | 97 | 34.1 Ų | 34.1 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 55.1 | 57.4 | -177.7 | -58 | 88.4 | 0 | 0 | 0 | 111.9 | S380 N381 S435 S436 | S380-H413 VanDerWaalsContact CA-O 3.31Å; S380-H413 WeakPolarHBondContact CA-O 3.43Å; S380-H413 PolarHBondContact N-O 3.07Å; N381-H413 PolarHBondContact N-O 3.06Å; H413-S435 PolarHBondContact N-O 2.81Å; H413-S436 WeakPolarHBondContact CA-O 3.3Å; H413-S436 PolarHBondContact N-O 3.49Å; H413-S436 PolarHBondContact NE2-OG 2.88Å |
| 414 | N | 93.5 | Very high | 88.7 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -131.2 | -161.5 | 178.4 | -88.1 | -70.6 | 0 | 0 | 0 | 110.1 | A378 N381 I383 L411 D412 S436 N437 | A378-N414 PolarHBondContact O-ND2 2.98Å; A378-N414 VanDerWaalsContact O-ND2 3.09Å; N381-N414 WeakPolarHBondContact CA-OD1 3.4Å; N381-N414 WeakPolarHBondContact CB-OD1 3.44Å; N381-N414 PolarHBondContact N-OD1 2.92Å; N381-N414 PolarHBondContact O-OD1 3.3Å; I383-N414 HydrophobicContact CB-CB 4.36Å; I383-N414 VanDerWaalsContact CB-OD1 3.28Å; I383-N414 WeakPolarHBondContact CB-OD1 3.41Å; I383-N414 WeakPolarHBondContact CG1-OD1 3.46Å; I383-N414 PolarHBondContact N-OD1 2.84Å; L411-N414 PolarHBondContact O-ND2 2.96Å; D412-N414 PolarHBondContact O-ND2 3.18Å; N414-S436 PolarHBondContact N-O 3.12Å; N414-N437 VanDerWaalsContact CB-OD1 3.26Å; N414-N437 WeakPolarHBondContact CB-OD1 3.26Å |
| 415 | S | 93.5 | Very high | 88.8 | Confident | 61 Ų | 61 | 34.6 Ų | 34.6 | 43% | 0.427 | 20% | 0.195 | S | C | . | . | trans | -131.6 | 33.6 | -179.2 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | I383 S417 N437 | I383-S415 CarbonylContact O-C 3.37Å; I383-S415 WeakPolarHBondContact O-CA 3.35Å; I383-S415 PolarHBondContact O-N 3.34Å; S415-S417 PolarHBondContact O-N 3.35Å; S415-N437 PolarHBondContact N-OD1 3.43Å | ||
| 416 | L | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -67.4 | 127.6 | 178.1 | -63.9 | 169.8 | 0 | 0 | 0 | 110.3 | I383 I386 L411 L434 N437 M438 L439 | I383-L416 HydrophobicContact CG2-CD2 3.82Å; I383-L416 PolarHBondContact O-N 3.43Å; I386-L416 HydrophobicContact CD1-CD1 4.2Å; I386-L416 HydrophobicContact CD1-CD2 4.25Å; I386-L416 HydrophobicContact CG1-CD2 3.91Å; L411-L416 HydrophobicContact CB-CD1 4.38Å; L416-L434 HydrophobicContact CD1-CD2 4.05Å; L416-N437 HydrophobicContact CB-CB 4.49Å; L416-N437 WeakPolarHBondContact CB-OD1 3.29Å; L416-N437 PolarHBondContact N-OD1 2.7Å; L416-M438 CarbonylContact O-C 3.58Å; L416-M438 VanDerWaalsContact O-C 3.26Å; L416-M438 VanDerWaalsContact O-CA 3.28Å; L416-M438 WeakPolarHBondContact O-CA 3.42Å; L416-M438 WeakPolarHBondContact O-CB 3.44Å; L416-M438 PolarHBondContact O-N 3.44Å; L416-L439 HydrophobicContact CB-CD2 4Å; L416-L439 PolarHBondContact O-N 2.91Å | ||
| 417 | S | 89.6 | Confident | 88.3 | Confident | 72 Ų | 72 | 36.7 Ų | 36.7 | 50% | 0.503 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -96.4 | -22.4 | 172 | 52 | 0 | 0 | 0 | 0 | 113 | S415 | S415-S417 PolarHBondContact O-N 3.35Š|
| 418 | S | 89.8 | Confident | 88.1 | Confident | 71 Ų | 71 | 34.9 Ų | 34.9 | 50% | 0.497 | 20% | 0.201 | S | C | . | . | trans | -151.1 | 152.2 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 419 | V | 88.9 | Confident | 87.8 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | trans | -115 | 132.6 | 177 | -168.6 | 0 | 0 | 0 | 0 | 109 | L423 F424 L434 L439 P443 | V419-L423 HydrophobicContact CG1-CB 4.23Å; V419-L423 HydrophobicContact CG1-CD1 3.48Å; V419-L423 VanDerWaalsContact CG1-CD1 3.48Å; V419-L423 HydrophobicContact CG1-CG 4.5Å; V419-F424 HydrophobicContact CB-CE2 4.32Å; V419-F424 HydrophobicContact CG1-CE2 3.92Å; V419-F424 HydrophobicContact CG1-CZ 4.3Å; V419-L434 HydrophobicContact CG2-CD1 4.12Å; V419-L434 HydrophobicContact CG2-CD2 4.09Å; V419-L439 HydrophobicContact CG2-CD1 3.69Å; V419-L439 HydrophobicContact CG2-CD2 3.61Å; V419-L439 HydrophobicContact CG2-CG 4.32Å; V419-P443 WeakPolarHBondContact O-CG 3.46Å | ||
| 420 | P | 86 | Confident | 87.6 | Confident | 34 Ų | 34 | 34 Ų | 34 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | trans | -71.1 | 141.7 | 178.5 | 28.7 | -35.2 | 0 | 0 | 0 | 112.4 | I386 V388 I422 L423 | I386-P420 HydrophobicContact CB-CG 4.07Å; I386-P420 HydrophobicContact CG2-CG 4.24Å; V388-P420 HydrophobicContact CG2-CB 4.12Å; V388-P420 HydrophobicContact CG2-CG 3.88Å; P420-I422 PolarHBondContact O-N 3.18Å; P420-L423 HydrophobicContact CG-CD1 4.26Å; P420-L423 PolarHBondContact O-N 2.88Å | ||
| 421 | D | 79.5 | Confident | 87.5 | Confident | 78 Ų | 78 | 32.1 Ų | 32.1 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -42.9 | -40.4 | 179.6 | -61 | 13.6 | 0 | 0 | 0 | 113.7 | L423 F424 N445 | D421-L423 PolarHBondContact O-N 3.26Å; D421-L423 VanDerWaalsContact O-N 3.14Å; D421-F424 PolarHBondContact O-N 3.45Å; D421-N445 PolarHBondContact O-ND2 2.99Å |
| 422 | I | 78 | Confident | 87.5 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -61 | -28.1 | -170.2 | -139.2 | 163.3 | 0 | 0 | 0 | 113.4 | V388 L402 P420 F424 T425 F426 | V388-I422 HydrophobicContact CB-CG2 4.41Å; V388-I422 HydrophobicContact CG1-CB 4.16Å; V388-I422 HydrophobicContact CG1-CD1 3.68Å; V388-I422 HydrophobicContact CG1-CG2 3.77Å; V388-I422 HydrophobicContact CG2-CG2 3.77Å; L402-I422 HydrophobicContact CD1-CD1 4.44Å; L402-I422 HydrophobicContact CD1-CG1 4.49Å; L402-I422 HydrophobicContact CD2-CD1 3.7Å; L402-I422 HydrophobicContact CD2-CG1 4.06Å; P420-I422 PolarHBondContact O-N 3.18Å; I422-F424 PolarHBondContact O-N 3.12Å; I422-F424 VanDerWaalsContact O-N 3.11Å; I422-T425 WeakPolarHBondContact CG1-OG1 3.42Å; I422-T425 PolarHBondContact O-N 3.1Å; I422-T425 PolarHBondContact O-OG1 3.49Å; I422-F426 HydrophobicContact CG2-CE2 4.44Å; I422-F426 HydrophobicContact CG2-CZ 4.43Å |
| 423 | L | 84.4 | Confident | 87.5 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -60.6 | -22.4 | 177.8 | -92.6 | 163 | 0 | 0 | 0 | 113.2 | F368 I386 I409 L411 V419 P420 D421 F426 | F368-L423 HydrophobicContact CE1-CD2 4.02Å; I386-L423 HydrophobicContact CD1-CD1 3.67Å; I409-L423 HydrophobicContact CD1-CD2 3.51Å; I409-L423 HydrophobicContact CG2-CD2 4.37Å; L411-L423 HydrophobicContact CD1-CD1 4.26Å; V419-L423 HydrophobicContact CG1-CB 4.23Å; V419-L423 HydrophobicContact CG1-CD1 3.48Å; V419-L423 VanDerWaalsContact CG1-CD1 3.48Å; V419-L423 HydrophobicContact CG1-CG 4.5Å; P420-L423 HydrophobicContact CG-CD1 4.26Å; P420-L423 PolarHBondContact O-N 2.88Å; D421-L423 PolarHBondContact O-N 3.26Å; D421-L423 VanDerWaalsContact O-N 3.14Å; L423-F426 HydrophobicContact CD2-CE2 4.12Å; L423-F426 HydrophobicContact CG-CE2 4.5Å |
| 424 | F | 82.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -102.1 | 18.9 | 177.3 | -52.1 | -81 | 0 | 0 | 0 | 113 | V419 D421 I422 L432 L434 L442 P443 N445 I446 D448 C449 | V419-F424 HydrophobicContact CB-CE2 4.32Å; V419-F424 HydrophobicContact CG1-CE2 3.92Å; V419-F424 HydrophobicContact CG1-CZ 4.3Å; D421-F424 PolarHBondContact O-N 3.45Å; I422-F424 PolarHBondContact O-N 3.12Å; I422-F424 VanDerWaalsContact O-N 3.11Å; F424-L432 HydrophobicContact CD1-CD2 4.07Å; F424-L432 HydrophobicContact CE1-CD2 3.44Å; F424-L432 VanDerWaalsContact CE1-CD2 3.44Å; F424-L432 HydrophobicContact CZ-CD2 4.02Å; F424-L434 HydrophobicContact CZ-CD1 4.31Å; F424-L442 HydrophobicContact CZ-CD2 4.34Å; F424-P443 HydrophobicContact CD2-CB 4.36Å; F424-P443 HydrophobicContact CD2-CG 4.07Å; F424-P443 HydrophobicContact CE2-CG 3.9Å; F424-N445 VanDerWaalsContact CB-O 3.3Å; F424-N445 WeakPolarHBondContact CB-O 3.34Å; F424-I446 HydrophobicContact CD1-CB 4.17Å; F424-I446 HydrophobicContact CD1-CD1 4.46Å; F424-I446 HydrophobicContact CD1-CG1 3.73Å; F424-I446 HydrophobicContact CE1-CB 4.41Å; F424-I446 HydrophobicContact CE1-CD1 3.92Å; F424-I446 HydrophobicContact CE1-CG1 3.68Å; F424-I446 HydrophobicContact CG-CB 4.36Å; F424-I446 HydrophobicContact CG-CG1 4.4Å; F424-I446 HydrophobicContact CZ-CD1 4.24Å; F424-I446 HydrophobicContact CZ-CG1 4.35Å; F424-D448 CarbonylContact O-C 3.57Å; F424-D448 WeakPolarHBondContact O-CB 3.46Å; F424-C449 VanDerWaalsContact CA-SG 3.51Å; F424-C449 PolarHBondContact O-N 3.34Å |
| 425 | T | 77.7 | Confident | 87.5 | Confident | 57 Ų | 57 | 28 Ų | 28 | 35% | 0.35 | 18% | 0.177 | S | C | . | . | trans | -117.6 | -5.3 | 177 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | I422 N445 | I422-T425 WeakPolarHBondContact CG1-OG1 3.42Å; I422-T425 PolarHBondContact O-N 3.1Å; I422-T425 PolarHBondContact O-OG1 3.49Å; T425-N445 WeakPolarHBondContact CG2-ND2 3.39Å | ||
| 426 | F | 82.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -68.5 | 129.5 | -179.7 | -69.5 | -67.7 | 0 | 0 | 0 | 111.7 | F368 L402 A403 L406 I422 L423 A428 V429 C449 | F368-F426 HydrophobicContact CB-CZ 4.01Å; F368-F426 AromaticContact CD1-CE2 3.96Å; F368-F426 HydrophobicContact CD1-CE2 3.96Å; F368-F426 AromaticContact CD1-CZ 3.71Å; F368-F426 HydrophobicContact CD1-CZ 3.71Å; F368-F426 HydrophobicContact CG-CZ 4.23Å; L402-F426 HydrophobicContact CB-CD1 4.31Å; L402-F426 HydrophobicContact CB-CE1 3.99Å; L402-F426 HydrophobicContact CD2-CE1 3.75Å; L402-F426 HydrophobicContact CD2-CZ 4.17Å; L402-F426 HydrophobicContact CG-CE1 4.44Å; A403-F426 HydrophobicContact CB-CD1 4.38Å; A403-F426 HydrophobicContact CB-CE1 4.04Å; A403-F426 WeakPolarHBondContact O-CD1 3.46Å; L406-F426 HydrophobicContact CD2-CD2 4.35Å; L406-F426 HydrophobicContact CD2-CE2 4.34Å; I422-F426 HydrophobicContact CG2-CE2 4.44Å; I422-F426 HydrophobicContact CG2-CZ 4.43Å; L423-F426 HydrophobicContact CD2-CE2 4.12Å; L423-F426 HydrophobicContact CG-CE2 4.5Å; F426-A428 VanDerWaalsContact C-N 3.27Å; F426-A428 PolarHBondContact O-N 2.75Å; F426-V429 HydrophobicContact CB-CG2 3.56Å; F426-V429 HydrophobicContact CD2-CG2 4.35Å; F426-V429 HydrophobicContact CG-CG2 4.29Å; F426-C449 PolarHBondContact O-SG 3Å; F426-C449 VanDerWaalsContact O-SG 3.33Å | ||
| 427 | P | 79.8 | Confident | 87.7 | Confident | 61 Ų | 61 | 27.3 Ų | 27.3 | 40% | 0.396 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -9 | -170.6 | 30.4 | -36.5 | 0 | 0 | 0 | 114.6 | C404 P450 | C404-P427 HydrophobicContact CB-CG 4.02Å; P427-P450 HydrophobicContact CB-CG 4.48Å; P427-P450 WeakPolarHBondContact O-CG 3.22Å |
| 428 | A | 86.2 | Confident | 87.9 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -15.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C404 L406 E407 F426 V430 | C404-A428 WeakPolarHBondContact O-CB 3.4Å; L406-A428 CarbonylContact O-C 3.54Å; L406-A428 VanDerWaalsContact O-CB 3.25Å; L406-A428 WeakPolarHBondContact O-CB 3.33Å; E407-A428 HydrophobicContact CG-CB 4.3Å; F426-A428 VanDerWaalsContact C-N 3.27Å; F426-A428 PolarHBondContact O-N 2.75Å; A428-V430 WeakPolarHBondContact O-CG2 3.37Å; A428-V430 PolarHBondContact O-N 3.5Å |
| 429 | V | 88.1 | Confident | 88 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -64 | 125.4 | -167.1 | 177 | 0 | 0 | 0 | 0 | 110.5 | L406 I409 F426 L432 K451 L452 | L406-V429 HydrophobicContact CB-CG2 4.33Å; L406-V429 HydrophobicContact CG-CG2 4.32Å; L406-V429 WeakPolarHBondContact O-CA 3.36Å; L406-V429 WeakPolarHBondContact O-CG2 3.39Å; L406-V429 PolarHBondContact O-N 3.28Å; I409-V429 HydrophobicContact CD1-CG1 4.5Å; I409-V429 HydrophobicContact CD1-CG2 3.89Å; I409-V429 HydrophobicContact CG1-CG2 4.45Å; F426-V429 HydrophobicContact CB-CG2 3.56Å; F426-V429 HydrophobicContact CD2-CG2 4.35Å; F426-V429 HydrophobicContact CG-CG2 4.29Å; V429-L432 HydrophobicContact CG1-CB 4.47Å; V429-K451 CarbonylContact O-C 3.3Å; V429-L452 HydrophobicContact CG1-CD1 3.87Å; V429-L452 WeakPolarHBondContact O-CA 3.39Å; V429-L452 PolarHBondContact O-N 3.48Å | ||
| 430 | V | 90.1 | Very high | 88 | Confident | 39 Ų | 39 | 29.5 Ų | 29.5 | 24% | 0.236 | 17% | 0.166 | C | C | . | . | trans | -105.3 | -38.4 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | E407 A428 K451 K453 D454 | E407-V430 PolarHBondContact O-N 2.96Å; A428-V430 WeakPolarHBondContact O-CG2 3.37Å; A428-V430 PolarHBondContact O-N 3.5Å; V430-K451 HydrophobicContact CG2-CB 4.37Å; V430-K453 HydrophobicContact CG1-CB 3.97Å; V430-K453 HydrophobicContact CG1-CD 3.99Å; V430-K453 HydrophobicContact CG1-CG 4.09Å; V430-K453 PolarHBondContact O-N 3.02Å; V430-D454 PolarHBondContact O-N 2.92Å | ||
| 431 | T | 91.8 | Very high | 88.2 | Confident | 25 Ų | 25 | 30.7 Ų | 30.7 | 15% | 0.153 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.6 | -172.7 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | E407 E408 I409 Y410 D454 | E407-T431 PolarHBondContact O-N 2.95Å; E407-T431 VanDerWaalsContact O-N 3.11Å; E408-T431 WeakPolarHBondContact CA-O 3.38Å; I409-T431 PolarHBondContact N-O 2.94Å; Y410-T431 HydrophobicContact CE1-CG2 4.41Å; T431-D454 WeakPolarHBondContact CA-O 3.45Å |
| 432 | L | 93.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 113.5 | 175.8 | 178 | 60.7 | 0 | 0 | 0 | 110.8 | I409 F424 V429 L434 L452 D454 L455 D456 | I409-L432 HydrophobicContact CB-CD1 3.77Å; I409-L432 HydrophobicContact CG2-CD1 3.84Å; I409-L432 WeakPolarHBondContact O-CA 3.07Å; F424-L432 HydrophobicContact CD1-CD2 4.07Å; F424-L432 HydrophobicContact CE1-CD2 3.44Å; F424-L432 VanDerWaalsContact CE1-CD2 3.44Å; F424-L432 HydrophobicContact CZ-CD2 4.02Å; V429-L432 HydrophobicContact CG1-CB 4.47Å; L432-L434 HydrophobicContact CD1-CD1 4.29Å; L432-L434 HydrophobicContact CD1-CG 4.22Å; L432-L434 HydrophobicContact CD2-CD1 3.95Å; L432-L434 HydrophobicContact CG-CD1 3.99Å; L432-L434 HydrophobicContact CG-CG 4.25Å; L432-L452 HydrophobicContact CB-CD1 3.91Å; L432-D454 PolarHBondContact N-O 2.75Å; L432-L455 HydrophobicContact CB-CD1 4.21Å; L432-L455 HydrophobicContact CD2-CD1 4.12Å; L432-L455 HydrophobicContact CG-CD1 4.16Å; L432-L455 WeakPolarHBondContact O-CA 3.27Å; L432-D456 PolarHBondContact O-N 3.23Å; L432-D456 VanDerWaalsContact O-N 3.13Å |
| 433 | N | 93.6 | Very high | 88.9 | Confident | 29 Ų | 29 | 26.9 Ų | 26.9 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.5 | 176.2 | -171 | 7.5 | 0 | 0 | 0 | 111.4 | I409 Y410 L411 D412 S435 | I409-N433 PolarHBondContact O-N 3.42Å; Y410-N433 HydrophobicContact CD1-CB 3.91Å; L411-N433 WeakPolarHBondContact CA-O 3.39Å; L411-N433 PolarHBondContact N-O 2.97Å; D412-N433 WeakPolarHBondContact CB-ND2 3.42Å; D412-N433 VanDerWaalsContact CG-ND2 3.26Å; D412-N433 PolarHBondContact OD1-ND2 2.95Å; N433-S435 WeakPolarHBondContact OD1-CB 3.32Å; N433-S435 PolarHBondContact OD1-N 2.97Å; N433-S435 VanDerWaalsContact OD1-N 3.1Å; N433-S435 PolarHBondContact OD1-OG 2.92Å |
| 434 | L | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -125.3 | 15.2 | 178.4 | -74.5 | 163 | 0 | 0 | 0 | 111.9 | L411 L416 V419 F424 L432 N437 L439 D456 L457 N460 | L411-L434 HydrophobicContact CB-CD2 3.89Å; L411-L434 HydrophobicContact CD1-CD2 3.91Å; L416-L434 HydrophobicContact CD1-CD2 4.05Å; V419-L434 HydrophobicContact CG2-CD1 4.12Å; V419-L434 HydrophobicContact CG2-CD2 4.09Å; F424-L434 HydrophobicContact CZ-CD1 4.31Å; L432-L434 HydrophobicContact CD1-CD1 4.29Å; L432-L434 HydrophobicContact CD1-CG 4.22Å; L432-L434 HydrophobicContact CD2-CD1 3.95Å; L432-L434 HydrophobicContact CG-CD1 3.99Å; L432-L434 HydrophobicContact CG-CG 4.25Å; L434-N437 PolarHBondContact O-ND2 2.94Å; L434-L439 HydrophobicContact CB-CD1 4.29Å; L434-D456 CarbonylContact C-O 3.23Å; L434-D456 WeakPolarHBondContact CA-O 3.39Å; L434-D456 PolarHBondContact N-O 3.33Å; L434-L457 HydrophobicContact CB-CD2 3.86Å; L434-L457 HydrophobicContact CD1-CD2 4Å; L434-N460 PolarHBondContact O-ND2 3.25Å | ||
| 435 | S | 94.3 | Very high | 88.1 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | trans | -62.7 | 160.4 | -180 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | D412 H413 N433 N437 D456 S458 | D412-S435 WeakPolarHBondContact CA-O 3.5Å; D412-S435 WeakPolarHBondContact CB-O 3.48Å; D412-S435 WeakPolarHBondContact CB-OG 3.36Å; H413-S435 PolarHBondContact N-O 2.81Å; N433-S435 WeakPolarHBondContact OD1-CB 3.32Å; N433-S435 PolarHBondContact OD1-N 2.97Å; N433-S435 VanDerWaalsContact OD1-N 3.1Å; N433-S435 PolarHBondContact OD1-OG 2.92Å; S435-N437 PolarHBondContact O-N 2.81Å; S435-N437 PolarHBondContact O-ND2 2.92Å; S435-D456 PolarHBondContact N-O 3.2Å; S435-S458 CarbonylContact C-O 3.16Å; S435-S458 WeakPolarHBondContact CA-O 3.41Å; S435-S458 WeakPolarHBondContact CB-O 3.49Å; S435-S458 WeakPolarHBondContact CB-OG 3.27Å | ||
| 436 | S | 95.1 | Very high | 88.4 | Confident | 37 Ų | 37 | 28.1 Ų | 28.1 | 26% | 0.259 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 52.8 | 56.8 | -179.5 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | H413 N414 S458 D459 | H413-S436 WeakPolarHBondContact CA-O 3.3Å; H413-S436 PolarHBondContact N-O 3.49Å; H413-S436 PolarHBondContact NE2-OG 2.88Å; N414-S436 PolarHBondContact N-O 3.12Å; S436-S458 PolarHBondContact N-O 2.75Å; S436-D459 WeakPolarHBondContact CA-O 3.16Å; S436-D459 PolarHBondContact N-O 3.11Å |
| 437 | N | 94.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.053 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -135.3 | -171 | 178.7 | -88.7 | -80.6 | 0 | 0 | 0 | 110.3 | L411 N414 S415 L416 L434 S435 L439 D459 N460 | L411-N437 PolarHBondContact O-ND2 2.96Å; N414-N437 VanDerWaalsContact CB-OD1 3.26Å; N414-N437 WeakPolarHBondContact CB-OD1 3.26Å; S415-N437 PolarHBondContact N-OD1 3.43Å; L416-N437 HydrophobicContact CB-CB 4.49Å; L416-N437 WeakPolarHBondContact CB-OD1 3.29Å; L416-N437 PolarHBondContact N-OD1 2.7Å; L434-N437 PolarHBondContact O-ND2 2.94Å; S435-N437 PolarHBondContact O-N 2.81Å; S435-N437 PolarHBondContact O-ND2 2.92Å; N437-L439 HydrophobicContact CB-CG 4.32Å; N437-D459 PolarHBondContact N-O 2.89Å; N437-N460 VanDerWaalsContact CB-OD1 3.31Å; N437-N460 WeakPolarHBondContact CB-OD1 3.4Å; N437-N460 PolarHBondContact O-OD1 3.39Å |
| 438 | M | 93.8 | Very high | 87.8 | Confident | 95 Ų | 95 | 27.9 Ų | 27.9 | 47% | 0.468 | 16% | 0.162 | S | C | . | . | trans | -115.7 | 24.3 | -173.7 | -72.2 | -76.3 | -115.9 | 0 | 0 | 113.1 | L416 E440 N460 K461 | L416-M438 CarbonylContact O-C 3.58Å; L416-M438 VanDerWaalsContact O-C 3.26Å; L416-M438 VanDerWaalsContact O-CA 3.28Å; L416-M438 WeakPolarHBondContact O-CA 3.42Å; L416-M438 WeakPolarHBondContact O-CB 3.44Å; L416-M438 PolarHBondContact O-N 3.44Å; M438-E440 PolarHBondContact O-N 3.05Å; M438-N460 PolarHBondContact N-OD1 3.3Å; M438-K461 VanDerWaalsContact SD-CE 3.5Å | ||
| 439 | L | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -68.3 | 124.8 | -172.8 | -56.7 | 177.7 | 0 | 0 | 0 | 112.2 | L416 V419 L434 N437 L442 L457 N460 K461 L462 | L416-L439 HydrophobicContact CB-CD2 4Å; L416-L439 PolarHBondContact O-N 2.91Å; V419-L439 HydrophobicContact CG2-CD1 3.69Å; V419-L439 HydrophobicContact CG2-CD2 3.61Å; V419-L439 HydrophobicContact CG2-CG 4.32Å; L434-L439 HydrophobicContact CB-CD1 4.29Å; N437-L439 HydrophobicContact CB-CG 4.32Å; L439-L442 HydrophobicContact CD1-CD2 4.33Å; L439-L457 HydrophobicContact CD1-CD2 4.22Å; L439-N460 VanDerWaalsContact CB-OD1 3.26Å; L439-N460 WeakPolarHBondContact CB-OD1 3.33Å; L439-N460 VanDerWaalsContact CG-OD1 3.3Å; L439-N460 WeakPolarHBondContact CG-OD1 3.44Å; L439-N460 PolarHBondContact N-OD1 2.83Å; L439-K461 CarbonylContact O-C 3.41Å; L439-K461 WeakPolarHBondContact O-CA 3.17Å; L439-K461 WeakPolarHBondContact O-CB 3.38Å; L439-K461 PolarHBondContact O-N 2.87Å; L439-L462 HydrophobicContact CB-CD2 4.13Å; L439-L462 PolarHBondContact O-N 3.35Å | ||
| 440 | E | 90.1 | Very high | 86.8 | Confident | 104 Ų | 104 | 30.4 Ų | 30.4 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -101.2 | -19.5 | 176.7 | -58.9 | -166.4 | 168.8 | 0 | 0 | 112.8 | M438 K461 | M438-E440 PolarHBondContact O-N 3.05Å; E440-K461 HydrophobicContact CG-CB 3.89Å; E440-K461 HydrophobicContact CG-CD 3.69Å; E440-K461 WeakPolarHBondContact OE1-CD 3.28Å; E440-K461 IonicContact OE1-NZ 3.93Å; E440-K461 PolarHBondContact OE1-NZ 3.31Å |
| 441 | S | 88.9 | Confident | 86.5 | Confident | 58 Ų | 58 | 33.2 Ų | 33.2 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | trans | -152.8 | 166.9 | 175.9 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 442 | L | 87.1 | Confident | 86.4 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | trans | -129.5 | 153.7 | 179.1 | -73.6 | 163.8 | 0 | 0 | 0 | 112.1 | F424 L439 I446 L457 L462 F465 P466 | F424-L442 HydrophobicContact CZ-CD2 4.34Å; L439-L442 HydrophobicContact CD1-CD2 4.33Å; L442-I446 HydrophobicContact CB-CD1 4.32Å; L442-I446 HydrophobicContact CD1-CD1 3.86Å; L442-I446 HydrophobicContact CD2-CD1 4.47Å; L442-I446 HydrophobicContact CG-CD1 4.45Å; L442-L457 HydrophobicContact CD1-CD1 3.6Å; L442-L457 HydrophobicContact CD1-CD2 4.05Å; L442-L457 HydrophobicContact CD1-CG 4.47Å; L442-L457 HydrophobicContact CD2-CD2 4.02Å; L442-L462 HydrophobicContact CD1-CD1 3.72Å; L442-L462 HydrophobicContact CD1-CD2 4.14Å; L442-L462 HydrophobicContact CG-CD1 4.38Å; L442-L462 HydrophobicContact CG-CD2 3.96Å; L442-F465 HydrophobicContact CD1-CD2 4.29Å; L442-F465 HydrophobicContact CD1-CE2 3.93Å; L442-P466 HydrophobicContact CB-CG 3.63Å; L442-P466 WeakPolarHBondContact O-CG 3.43Å | ||
| 443 | P | 85 | Confident | 86.2 | Confident | 15 Ų | 15 | 35.3 Ų | 35.3 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | trans | -63 | 147.2 | 176.4 | -23.9 | 35.6 | 0 | 0 | 0 | 114.1 | V419 F424 N445 I446 P466 | V419-P443 WeakPolarHBondContact O-CG 3.46Å; F424-P443 HydrophobicContact CD2-CB 4.36Å; F424-P443 HydrophobicContact CD2-CG 4.07Å; F424-P443 HydrophobicContact CE2-CG 3.9Å; P443-N445 VanDerWaalsContact C-N 3.26Å; P443-N445 WeakPolarHBondContact CB-OD1 3.43Å; P443-N445 PolarHBondContact O-N 3.16Å; P443-I446 WeakPolarHBondContact O-CB 3.27Å; P443-I446 PolarHBondContact O-N 3.17Å; P443-P466 WeakPolarHBondContact O-CB 3.27Å; P443-P466 WeakPolarHBondContact O-CG 3.4Å | ||
| 444 | A | 74.7 | Confident | 86 | Confident | 50 Ų | 50 | 37.1 Ų | 37.1 | 41% | 0.413 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -67 | -26 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I446 | A444-I446 PolarHBondContact O-N 2.76Š|
| 445 | N | 76.8 | Confident | 86 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 15% | 0.15 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -84.3 | 15.3 | 177.7 | 71.8 | -63 | 0 | 0 | 0 | 113.4 | D421 F424 T425 P443 W447 D448 | D421-N445 PolarHBondContact O-ND2 2.99Å; F424-N445 VanDerWaalsContact CB-O 3.3Å; F424-N445 WeakPolarHBondContact CB-O 3.34Å; T425-N445 WeakPolarHBondContact CG2-ND2 3.39Å; P443-N445 VanDerWaalsContact C-N 3.26Å; P443-N445 WeakPolarHBondContact CB-OD1 3.43Å; P443-N445 PolarHBondContact O-N 3.16Å; N445-W447 PolarHBondContact O-N 3.39Å; N445-D448 HydrophobicContact CB-CB 4.41Å; N445-D448 WeakPolarHBondContact O-CB 3.29Å; N445-D448 PolarHBondContact O-N 3Å |
| 446 | I | 83 | Confident | 85.9 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -49.5 | -26.3 | 171.4 | -172.1 | 155 | 0 | 0 | 0 | 113.8 | F424 L442 P443 A444 L455 F465 P466 | F424-I446 HydrophobicContact CD1-CB 4.17Å; F424-I446 HydrophobicContact CD1-CD1 4.46Å; F424-I446 HydrophobicContact CD1-CG1 3.73Å; F424-I446 HydrophobicContact CE1-CB 4.41Å; F424-I446 HydrophobicContact CE1-CD1 3.92Å; F424-I446 HydrophobicContact CE1-CG1 3.68Å; F424-I446 HydrophobicContact CG-CB 4.36Å; F424-I446 HydrophobicContact CG-CG1 4.4Å; F424-I446 HydrophobicContact CZ-CD1 4.24Å; F424-I446 HydrophobicContact CZ-CG1 4.35Å; L442-I446 HydrophobicContact CB-CD1 4.32Å; L442-I446 HydrophobicContact CD1-CD1 3.86Å; L442-I446 HydrophobicContact CD2-CD1 4.47Å; L442-I446 HydrophobicContact CG-CD1 4.45Å; P443-I446 WeakPolarHBondContact O-CB 3.27Å; P443-I446 PolarHBondContact O-N 3.17Å; A444-I446 PolarHBondContact O-N 2.76Å; I446-L455 HydrophobicContact CD1-CD2 4.02Å; I446-L455 HydrophobicContact CG1-CD2 4.38Å; I446-F465 HydrophobicContact CD1-CE2 4.29Å; I446-F465 HydrophobicContact CD1-CZ 3.88Å; I446-P466 HydrophobicContact CG2-CB 4.03Å; I446-P466 HydrophobicContact CG2-CG 3.97Å |
| 447 | W | 76.3 | Confident | 85.9 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -79.3 | -19.7 | 178.2 | -55 | 105.6 | 0 | 0 | 0 | 114 | N445 C449 F465 P466 Y561 L583 A584 | N445-W447 PolarHBondContact O-N 3.39Å; W447-C449 VanDerWaalsContact C-N 3.32Å; W447-C449 PolarHBondContact O-N 3.1Å; W447-F465 HydrophobicContact CH2-CD1 4.26Å; W447-F465 AromaticContact CH2-CE1 3.69Å; W447-F465 HydrophobicContact CH2-CE1 3.69Å; W447-F465 AromaticContact CZ2-CD1 3.81Å; W447-F465 HydrophobicContact CZ2-CD1 3.81Å; W447-F465 AromaticContact CZ2-CE1 3.53Å; W447-F465 HydrophobicContact CZ2-CE1 3.53Å; W447-P466 PolarHBondContact NE1-O 3.11Å; W447-Y561 HydrophobicContact CB-CD1 4.22Å; W447-Y561 HydrophobicContact CB-CD2 3.95Å; W447-Y561 HydrophobicContact CB-CE1 4.05Å; W447-Y561 HydrophobicContact CB-CE2 3.81Å; W447-Y561 HydrophobicContact CB-CG 4.13Å; W447-Y561 HydrophobicContact CD2-CD2 4.5Å; W447-Y561 HydrophobicContact CE3-CD2 4.14Å; W447-Y561 HydrophobicContact CE3-CG 4.47Å; W447-Y561 HydrophobicContact CG-CD2 4.46Å; W447-Y561 HydrophobicContact CG-CE2 4.4Å; W447-Y561 WeakPolarHBondContact O-CD1 3.44Å; W447-Y561 WeakPolarHBondContact O-CE1 3.36Å; W447-L583 HydrophobicContact CD2-CB 4.13Å; W447-L583 HydrophobicContact CE3-CB 3.88Å; W447-L583 HydrophobicContact CH2-CB 3.5Å; W447-L583 HydrophobicContact CH2-CD1 4.17Å; W447-L583 HydrophobicContact CH2-CG 4.44Å; W447-L583 HydrophobicContact CZ2-CB 3.75Å; W447-L583 HydrophobicContact CZ2-CD1 3.58Å; W447-L583 HydrophobicContact CZ2-CG 4.22Å; W447-L583 HydrophobicContact CZ3-CB 3.58Å; W447-A584 HydrophobicContact CZ3-CB 4.26Å |
| 448 | D | 73.9 | Confident | 85.8 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | trans | -74.2 | -14.2 | -167.5 | -82.7 | -23.9 | 0 | 0 | 0 | 115.4 | F424 N445 P450 R476 | F424-D448 CarbonylContact O-C 3.57Å; F424-D448 WeakPolarHBondContact O-CB 3.46Å; N445-D448 HydrophobicContact CB-CB 4.41Å; N445-D448 WeakPolarHBondContact O-CB 3.29Å; N445-D448 PolarHBondContact O-N 3Å; D448-P450 VanDerWaalsContact O-CD 3.26Å; D448-P450 WeakPolarHBondContact O-CD 3.38Å; D448-R476 IonicContact OD1-CZ 3.58Å; D448-R476 VanDerWaalsContact OD1-CZ 3.23Å; D448-R476 IonicContact OD1-NH1 3.71Å; D448-R476 PolarHBondContact OD1-NH1 3.23Å; D448-R476 IonicContact OD1-NH2 2.68Å; D448-R476 PolarHBondContact OD1-NH2 2.67Å; D448-R476 IonicContact OD2-CZ 3.9Å; D448-R476 IonicContact OD2-NH2 3.18Å; D448-R476 PolarHBondContact OD2-NH2 3.25Å | ||
| 449 | C | 79.5 | Confident | 85.9 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | trans | -66.7 | 111.5 | 171.5 | -92.2 | 0 | 0 | 0 | 0 | 110.8 | F424 F426 W447 K451 L452 | F424-C449 VanDerWaalsContact CA-SG 3.51Å; F424-C449 PolarHBondContact O-N 3.34Å; F426-C449 PolarHBondContact O-SG 3Å; F426-C449 VanDerWaalsContact O-SG 3.33Å; W447-C449 VanDerWaalsContact C-N 3.32Å; W447-C449 PolarHBondContact O-N 3.1Å; C449-K451 VanDerWaalsContact C-N 3.3Å; C449-K451 PolarHBondContact O-N 3.45Å; C449-L452 HydrophobicContact CB-CB 3.79Å | ||
| 450 | P | 74.1 | Confident | 86 | Confident | 53 Ų | 53 | 36.9 Ų | 36.9 | 34% | 0.344 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.6 | -170.1 | 31.2 | -36.4 | 0 | 0 | 0 | 113.8 | P427 D448 H562 | P427-P450 HydrophobicContact CB-CG 4.48Å; P427-P450 WeakPolarHBondContact O-CG 3.22Å; D448-P450 VanDerWaalsContact O-CD 3.26Å; D448-P450 WeakPolarHBondContact O-CD 3.38Å; P450-H562 PolarHBondContact O-CD2 3.35Å |
| 451 | K | 84.8 | Confident | 86.1 | Confident | 98 Ų | 98 | 34.3 Ų | 34.3 | 43% | 0.426 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -2 | -178.3 | -65.3 | -164.8 | -162.1 | 171.3 | 0 | 115 | V429 V430 C449 K453 | V429-K451 CarbonylContact O-C 3.3Å; V430-K451 HydrophobicContact CG2-CB 4.37Å; C449-K451 VanDerWaalsContact C-N 3.3Å; C449-K451 PolarHBondContact O-N 3.45Å; K451-K453 PolarHBondContact O-N 3.46Å |
| 452 | L | 87.9 | Confident | 86.2 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | trans | -65.4 | 120.8 | -171.2 | -175.5 | 71.2 | 0 | 0 | 0 | 110 | V429 L432 C449 L455 H562 L563 | V429-L452 HydrophobicContact CG1-CD1 3.87Å; V429-L452 WeakPolarHBondContact O-CA 3.39Å; V429-L452 PolarHBondContact O-N 3.48Å; L432-L452 HydrophobicContact CB-CD1 3.91Å; C449-L452 HydrophobicContact CB-CB 3.79Å; L452-L455 HydrophobicContact CD2-CB 4.46Å; L452-L455 HydrophobicContact CD2-CD2 4.4Å; L452-H562 CarbonylContact O-C 3.51Å; L452-L563 HydrophobicContact CB-CD1 4.34Å; L452-L563 HydrophobicContact CD2-CD1 3.73Å; L452-L563 HydrophobicContact CG-CD1 3.68Å; L452-L563 WeakPolarHBondContact O-CA 3.16Å; L452-L563 PolarHBondContact O-N 2.88Å; L452-L563 VanDerWaalsContact O-N 3.12Å | ||
| 453 | K | 89.2 | Confident | 86.2 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | trans | -109.6 | -48.4 | 179.9 | -70.5 | -177.1 | -176.8 | -177.6 | 0 | 111.3 | V430 K451 N564 S565 | V430-K453 HydrophobicContact CG1-CB 3.97Å; V430-K453 HydrophobicContact CG1-CD 3.99Å; V430-K453 HydrophobicContact CG1-CG 4.09Å; V430-K453 PolarHBondContact O-N 3.02Å; K451-K453 PolarHBondContact O-N 3.46Å; K453-N564 HydrophobicContact CB-CB 4.1Å; K453-N564 WeakPolarHBondContact O-CA 3.48Å; K453-N564 PolarHBondContact O-N 3.1Å; K453-S565 PolarHBondContact O-N 2.91Å | ||
| 454 | D | 90.8 | Very high | 86.2 | Confident | 66 Ų | 66 | 38.4 Ų | 38.4 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.7 | -171.5 | -64.3 | -32.9 | 0 | 0 | 0 | 110.9 | V430 T431 L432 S565 | V430-D454 PolarHBondContact O-N 2.92Å; T431-D454 WeakPolarHBondContact CA-O 3.45Å; L432-D454 PolarHBondContact N-O 2.75Å; D454-S565 WeakPolarHBondContact OD1-CB 3.31Å; D454-S565 PolarHBondContact OD1-N 3.48Å |
| 455 | L | 93.4 | Very high | 86.7 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.9 | -176.8 | 174.1 | 60.7 | 0 | 0 | 0 | 110.6 | L432 I446 L452 L457 F465 L563 S565 L566 N567 | L432-L455 HydrophobicContact CB-CD1 4.21Å; L432-L455 HydrophobicContact CD2-CD1 4.12Å; L432-L455 HydrophobicContact CG-CD1 4.16Å; L432-L455 WeakPolarHBondContact O-CA 3.27Å; I446-L455 HydrophobicContact CD1-CD2 4.02Å; I446-L455 HydrophobicContact CG1-CD2 4.38Å; L452-L455 HydrophobicContact CD2-CB 4.46Å; L452-L455 HydrophobicContact CD2-CD2 4.4Å; L455-L457 HydrophobicContact CD1-CD1 4.13Å; L455-L457 HydrophobicContact CD1-CG 4.05Å; L455-L457 HydrophobicContact CD2-CD1 3.89Å; L455-L457 HydrophobicContact CG-CD1 3.89Å; L455-L457 HydrophobicContact CG-CG 4.17Å; L455-F465 HydrophobicContact CD2-CZ 4.42Å; L455-L563 HydrophobicContact CB-CD1 4Å; L455-S565 PolarHBondContact N-O 2.9Å; L455-S565 VanDerWaalsContact N-O 3.08Å; L455-L566 HydrophobicContact CB-CD1 4.31Å; L455-L566 HydrophobicContact CD2-CD1 3.96Å; L455-L566 HydrophobicContact CG-CD1 4.07Å; L455-L566 WeakPolarHBondContact O-CA 3.49Å; L455-N567 PolarHBondContact O-N 2.92Å; L455-N567 VanDerWaalsContact O-N 3.09Å |
| 456 | D | 93 | Very high | 86.8 | Confident | 43 Ų | 43 | 36.2 Ų | 36.2 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.8 | 175.7 | -156 | -44.5 | 0 | 0 | 0 | 111.9 | L432 L434 S435 S458 N567 | L432-D456 PolarHBondContact O-N 3.23Å; L432-D456 VanDerWaalsContact O-N 3.13Å; L434-D456 CarbonylContact C-O 3.23Å; L434-D456 WeakPolarHBondContact CA-O 3.39Å; L434-D456 PolarHBondContact N-O 3.33Å; S435-D456 PolarHBondContact N-O 3.2Å; D456-S458 VanDerWaalsContact OD1-CB 3.3Å; D456-S458 WeakPolarHBondContact OD1-CB 3.47Å; D456-S458 PolarHBondContact OD1-N 3.16Å; D456-S458 PolarHBondContact OD1-OG 3.23Å; D456-N567 HydrophobicContact CB-CB 4.37Å; D456-N567 VanDerWaalsContact CG-ND2 3.33Å; D456-N567 PolarHBondContact OD1-ND2 2.84Å; D456-N567 WeakPolarHBondContact OD2-CB 3.45Å; D456-N567 PolarHBondContact OD2-ND2 2.92Å |
| 457 | L | 93.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -132.1 | 20.5 | -177.4 | -69.8 | 161.5 | 0 | 0 | 0 | 111 | L434 L439 L442 L455 N460 L462 F465 L566 N567 L568 N571 | L434-L457 HydrophobicContact CB-CD2 3.86Å; L434-L457 HydrophobicContact CD1-CD2 4Å; L439-L457 HydrophobicContact CD1-CD2 4.22Å; L442-L457 HydrophobicContact CD1-CD1 3.6Å; L442-L457 HydrophobicContact CD1-CD2 4.05Å; L442-L457 HydrophobicContact CD1-CG 4.47Å; L442-L457 HydrophobicContact CD2-CD2 4.02Å; L455-L457 HydrophobicContact CD1-CD1 4.13Å; L455-L457 HydrophobicContact CD1-CG 4.05Å; L455-L457 HydrophobicContact CD2-CD1 3.89Å; L455-L457 HydrophobicContact CG-CD1 3.89Å; L455-L457 HydrophobicContact CG-CG 4.17Å; L457-N460 PolarHBondContact O-ND2 3.32Å; L457-L462 HydrophobicContact CB-CD1 4.06Å; L457-L462 HydrophobicContact CD1-CD1 4.31Å; L457-L462 HydrophobicContact CD2-CD1 4.36Å; L457-L462 HydrophobicContact CG-CD1 4.5Å; L457-F465 HydrophobicContact CD1-CE2 3.83Å; L457-F465 HydrophobicContact CD1-CZ 4.48Å; L457-L566 HydrophobicContact CD1-CD1 4.42Å; L457-N567 CarbonylContact C-O 3.57Å; L457-N567 PolarHBondContact N-O 3.47Å; L457-L568 HydrophobicContact CB-CD2 4.01Å; L457-L568 HydrophobicContact CD1-CD2 3.92Å; L457-N571 PolarHBondContact O-ND2 3.42Å | ||
| 458 | S | 94 | Very high | 85.4 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | trans | -69.7 | 158.3 | -178.9 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | S435 S436 D456 N460 N567 S569 | S435-S458 CarbonylContact C-O 3.16Å; S435-S458 WeakPolarHBondContact CA-O 3.41Å; S435-S458 WeakPolarHBondContact CB-O 3.49Å; S435-S458 WeakPolarHBondContact CB-OG 3.27Å; S436-S458 PolarHBondContact N-O 2.75Å; D456-S458 VanDerWaalsContact OD1-CB 3.3Å; D456-S458 WeakPolarHBondContact OD1-CB 3.47Å; D456-S458 PolarHBondContact OD1-N 3.16Å; D456-S458 PolarHBondContact OD1-OG 3.23Å; S458-N460 PolarHBondContact O-ND2 3Å; S458-N567 WeakPolarHBondContact CB-ND2 3.15Å; S458-N567 PolarHBondContact OG-ND2 3.17Å; S458-S569 VanDerWaalsContact CA-O 3.29Å; S458-S569 WeakPolarHBondContact CA-O 3.47Å; S458-S569 WeakPolarHBondContact CB-OG 3.48Å | ||
| 459 | D | 94.8 | Very high | 84.5 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 47.2 | 64 | -173.9 | -102.3 | -40.9 | 0 | 0 | 0 | 112.1 | S436 N437 S569 R570 | S436-D459 WeakPolarHBondContact CA-O 3.16Å; S436-D459 PolarHBondContact N-O 3.11Å; N437-D459 PolarHBondContact N-O 2.89Å; D459-S569 PolarHBondContact N-O 2.79Å; D459-R570 WeakPolarHBondContact OD1-CD 3.39Å; D459-R570 WeakPolarHBondContact OD2-CD 3.34Å; D459-R570 IonicContact OD2-CZ 3.61Å; D459-R570 IonicContact OD2-NE 3.91Å; D459-R570 IonicContact OD2-NH1 3.52Å; D459-R570 PolarHBondContact OD2-NH1 3.25Å |
| 460 | N | 94.2 | Very high | 82.7 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -137.5 | -164.6 | 176.8 | -88.9 | -86.1 | 0 | 0 | 0 | 108.7 | L434 N437 M438 L439 L457 S458 L462 R570 N571 | L434-N460 PolarHBondContact O-ND2 3.25Å; N437-N460 VanDerWaalsContact CB-OD1 3.31Å; N437-N460 WeakPolarHBondContact CB-OD1 3.4Å; N437-N460 PolarHBondContact O-OD1 3.39Å; M438-N460 PolarHBondContact N-OD1 3.3Å; L439-N460 VanDerWaalsContact CB-OD1 3.26Å; L439-N460 WeakPolarHBondContact CB-OD1 3.33Å; L439-N460 VanDerWaalsContact CG-OD1 3.3Å; L439-N460 WeakPolarHBondContact CG-OD1 3.44Å; L439-N460 PolarHBondContact N-OD1 2.83Å; L457-N460 PolarHBondContact O-ND2 3.32Å; S458-N460 PolarHBondContact O-ND2 3Å; N460-L462 HydrophobicContact CB-CG 4.46Å; N460-R570 PolarHBondContact N-O 3.15Å; N460-N571 WeakPolarHBondContact CB-OD1 3.47Å; N460-N571 PolarHBondContact O-OD1 3.01Å |
| 461 | K | 92.8 | Very high | 80.9 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | trans | -121.7 | 15.1 | -176.3 | -62.5 | 173.6 | -179.2 | 168.1 | 0 | 114 | M438 L439 E440 N571 | M438-K461 VanDerWaalsContact SD-CE 3.5Å; L439-K461 CarbonylContact O-C 3.41Å; L439-K461 WeakPolarHBondContact O-CA 3.17Å; L439-K461 WeakPolarHBondContact O-CB 3.38Å; L439-K461 PolarHBondContact O-N 2.87Å; E440-K461 HydrophobicContact CG-CB 3.89Å; E440-K461 HydrophobicContact CG-CD 3.69Å; E440-K461 WeakPolarHBondContact OE1-CD 3.28Å; E440-K461 IonicContact OE1-NZ 3.93Å; E440-K461 PolarHBondContact OE1-NZ 3.31Å; K461-N571 PolarHBondContact N-OD1 3.08Å | ||
| 462 | L | 90.9 | Very high | 78.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -60.3 | 136.1 | -175.4 | -56.9 | 171.7 | 0 | 0 | 0 | 110.9 | L439 L442 L457 N460 L568 N571 R572 F573 | L439-L462 HydrophobicContact CB-CD2 4.13Å; L439-L462 PolarHBondContact O-N 3.35Å; L442-L462 HydrophobicContact CD1-CD1 3.72Å; L442-L462 HydrophobicContact CD1-CD2 4.14Å; L442-L462 HydrophobicContact CG-CD1 4.38Å; L442-L462 HydrophobicContact CG-CD2 3.96Å; L457-L462 HydrophobicContact CB-CD1 4.06Å; L457-L462 HydrophobicContact CD1-CD1 4.31Å; L457-L462 HydrophobicContact CD2-CD1 4.36Å; L457-L462 HydrophobicContact CG-CD1 4.5Å; N460-L462 HydrophobicContact CB-CG 4.46Å; L462-L568 HydrophobicContact CD1-CD2 4.36Å; L462-N571 HydrophobicContact CB-CB 4.49Å; L462-N571 VanDerWaalsContact CB-OD1 3.29Å; L462-N571 WeakPolarHBondContact CB-OD1 3.45Å; L462-N571 WeakPolarHBondContact CG-OD1 3.48Å; L462-N571 PolarHBondContact N-OD1 3.2Å; L462-R572 CarbonylContact O-C 3.02Å; L462-R572 WeakPolarHBondContact O-CA 3.48Å; L462-R572 WeakPolarHBondContact O-CB 3.37Å; L462-R572 PolarHBondContact O-N 3.38Å; L462-F573 HydrophobicContact CB-CE2 3.8Å; L462-F573 HydrophobicContact CB-CZ 3.97Å | ||
| 463 | S | 86.9 | Confident | 76.2 | Confident | 64 Ų | 64 | 63 Ų | 63 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | trans | -117.1 | -18.5 | 178.3 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 464 | F | 85.5 | Confident | 73.4 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -140.8 | 163.2 | 175 | 68.4 | -85.9 | 0 | 0 | 0 | 109.8 | ||
| 465 | F | 84.5 | Confident | 70.7 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 10% | 0.096 | 36% | 0.363 | C | S | . | . | trans | -116.7 | 145.2 | 176.2 | -153.6 | -107.8 | 0 | 0 | 0 | 109.5 | L442 I446 W447 L455 L457 L566 L568 F573 P577 | L442-F465 HydrophobicContact CD1-CD2 4.29Å; L442-F465 HydrophobicContact CD1-CE2 3.93Å; I446-F465 HydrophobicContact CD1-CE2 4.29Å; I446-F465 HydrophobicContact CD1-CZ 3.88Å; W447-F465 HydrophobicContact CH2-CD1 4.26Å; W447-F465 AromaticContact CH2-CE1 3.69Å; W447-F465 HydrophobicContact CH2-CE1 3.69Å; W447-F465 AromaticContact CZ2-CD1 3.81Å; W447-F465 HydrophobicContact CZ2-CD1 3.81Å; W447-F465 AromaticContact CZ2-CE1 3.53Å; W447-F465 HydrophobicContact CZ2-CE1 3.53Å; L455-F465 HydrophobicContact CD2-CZ 4.42Å; L457-F465 HydrophobicContact CD1-CE2 3.83Å; L457-F465 HydrophobicContact CD1-CZ 4.48Å; F465-L566 HydrophobicContact CE2-CD1 4.45Å; F465-L566 HydrophobicContact CZ-CD1 4.26Å; F465-L566 HydrophobicContact CZ-CD2 4.24Å; F465-L568 HydrophobicContact CD2-CD1 4.26Å; F465-L568 HydrophobicContact CD2-CD2 4.04Å; F465-L568 HydrophobicContact CE2-CD1 4.46Å; F465-L568 HydrophobicContact CE2-CD2 3.87Å; F465-F573 HydrophobicContact CB-CE1 4.02Å; F465-F573 HydrophobicContact CB-CZ 4.37Å; F465-F573 HydrophobicContact CD2-CZ 4.28Å; F465-P577 HydrophobicContact CB-CB 3.89Å; F465-P577 HydrophobicContact CB-CG 3.8Å; F465-P577 HydrophobicContact CG-CG 4.41Å | ||
| 466 | P | 78.4 | Confident | 67.8 | Low | 9 Ų | 9 | 79.8 Ų | 79.8 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 133.6 | -171.9 | -15.9 | 31 | 0 | 0 | 0 | 112.7 | L442 P443 I446 W447 | L442-P466 HydrophobicContact CB-CG 3.63Å; L442-P466 WeakPolarHBondContact O-CG 3.43Å; P443-P466 WeakPolarHBondContact O-CB 3.27Å; P443-P466 WeakPolarHBondContact O-CG 3.4Å; I446-P466 HydrophobicContact CG2-CB 4.03Å; I446-P466 HydrophobicContact CG2-CG 3.97Å; W447-P466 PolarHBondContact NE1-O 3.11Å |
| 467 | L | 69.7 | Low | 64.7 | Low | 94 Ų | 94 | 82.3 Ų | 82.3 | 49% | 0.492 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 141.4 | 164.1 | -68 | 171.4 | 0 | 0 | 0 | 108.7 | Q578 M579 L583 | L467-Q578 WeakPolarHBondContact CD2-O 3.49Å; L467-M579 HydrophobicContact CD2-CB 4.28Å; L467-L583 HydrophobicContact CD2-CD1 4Å |
| 468 | P | 60.8 | Low | 61.4 | Low | 42 Ų | 42 | 89.6 Ų | 89.6 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 137.5 | 175.3 | 28.5 | -34.5 | 0 | 0 | 0 | 110.3 | L583 | P468-L583 HydrophobicContact CG-CD2 3.57Š|
| 469 | D | 55.2 | Low | 58.3 | Low | 100 Ų | 100 | 96.9 Ų | 96.9 | 54% | 0.535 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 131.8 | -176.9 | -170.5 | 12.6 | 0 | 0 | 0 | 111.1 | N471 S472 | D469-N471 PolarHBondContact O-N 3.17Å; D469-S472 WeakPolarHBondContact O-CB 3.28Å; D469-S472 PolarHBondContact O-N 3.03Å; D469-S472 VanDerWaalsContact O-N 3.11Å; D469-S472 PolarHBondContact O-OG 3.13Å |
| 470 | R | 41.2 | Very low | 55 | Low | 222 Ų | 222 | 102.7 Ų | 102.7 | 84% | 0.838 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12.7 | -168.1 | -79.5 | -171.6 | 170.7 | -157.4 | -2.5 | 114.3 | ||
| 471 | N | 37.8 | Very low | 51.6 | Low | 121 Ų | 121 | 108.4 Ų | 108.4 | 65% | 0.647 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.4 | 179 | -59.9 | -45.2 | 0 | 0 | 0 | 113.7 | D469 | D469-N471 PolarHBondContact O-N 3.17Š|
| 472 | S | 38.8 | Very low | 48.3 | Very low | 45 Ų | 45 | 110.3 Ų | 110.3 | 32% | 0.315 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -76.5 | -38.6 | -176.5 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | D469 L474 R475 | D469-S472 WeakPolarHBondContact O-CB 3.28Å; D469-S472 PolarHBondContact O-N 3.03Å; D469-S472 VanDerWaalsContact O-N 3.11Å; D469-S472 PolarHBondContact O-OG 3.13Å; S472-L474 VanDerWaalsContact C-N 3.25Å; S472-L474 PolarHBondContact O-N 3.22Å; S472-R475 PolarHBondContact O-N 3.1Å; S472-R475 VanDerWaalsContact O-N 3.12Å |
| 473 | E | 35.1 | Very low | 45.1 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59.5 | -33.8 | -178 | -68.3 | -173.1 | 142 | 0 | 0 | 112.6 | R475 | E473-R475 VanDerWaalsContact C-N 3.26Å; E473-R475 PolarHBondContact O-N 2.92Å |
| 474 | L | 30.6 | Very low | 42.1 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 80% | 0.796 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.8 | -10 | 179.5 | -107.2 | 84.6 | 0 | 0 | 0 | 115 | S472 | S472-L474 VanDerWaalsContact C-N 3.25Å; S472-L474 PolarHBondContact O-N 3.22Å |
| 475 | R | 33 | Very low | 39.3 | Very low | 216 Ų | 216 | 131.4 Ų | 131.4 | 82% | 0.815 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -100.6 | -19.6 | 179.3 | -75.8 | -169.8 | 172.2 | -162.3 | -2.9 | 114.5 | S472 E473 | S472-R475 PolarHBondContact O-N 3.1Å; S472-R475 VanDerWaalsContact O-N 3.12Å; E473-R475 VanDerWaalsContact C-N 3.26Å; E473-R475 PolarHBondContact O-N 2.92Å |
| 476 | R | 33.1 | Very low | 36.3 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 45% | 0.453 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -88.2 | -9.6 | -177.2 | -71.6 | -169.8 | 178.3 | 146.1 | 14.2 | 114.9 | D448 N478 | D448-R476 IonicContact OD1-CZ 3.58Å; D448-R476 VanDerWaalsContact OD1-CZ 3.23Å; D448-R476 IonicContact OD1-NH1 3.71Å; D448-R476 PolarHBondContact OD1-NH1 3.23Å; D448-R476 IonicContact OD1-NH2 2.68Å; D448-R476 PolarHBondContact OD1-NH2 2.67Å; D448-R476 IonicContact OD2-CZ 3.9Å; D448-R476 IonicContact OD2-NH2 3.18Å; D448-R476 PolarHBondContact OD2-NH2 3.25Å; R476-N478 VanDerWaalsContact C-N 3.33Å; R476-N478 PolarHBondContact O-N 2.92Å |
| 477 | S | 27.9 | Very low | 33.7 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -1.7 | -177.5 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 478 | N | 25.2 | Very low | 31.6 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 20.5 | -170.9 | -115.6 | 26.9 | 0 | 0 | 0 | 115.2 | R476 | R476-N478 VanDerWaalsContact C-N 3.33Å; R476-N478 PolarHBondContact O-N 2.92Å |
| 479 | Q | 27.9 | Very low | 30 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -131.5 | 77.3 | 169.6 | -87.3 | -176.4 | -33.5 | 0 | 0 | 111.6 | ||||
| 480 | F | 25.3 | Very low | 28.6 | Very low | 191 Ų | 191 | 147 Ų | 147 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -82.9 | 121.1 | 143.7 | -103.3 | -91.9 | 0 | 0 | 0 | 106.6 | P482 | F480-P482 WeakPolarHBondContact O-CD 3.25Å; F480-P482 WeakPolarHBondContact O-CG 3.39Å |
| 481 | C | 23 | Very low | 27.9 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 89% | 0.892 | 73% | 0.727 | S | S | * | * | trans | -53.5 | 121.4 | -167.4 | -54.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 482 | P | 24.2 | Very low | 27.3 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 59% | 0.591 | 74% | 0.741 | S | S | * | * | trans | -131.9 | 125.5 | 171.6 | 34.3 | -14 | 0 | 0 | 0 | 113.1 | F480 | F480-P482 WeakPolarHBondContact O-CD 3.25Å; F480-P482 WeakPolarHBondContact O-CG 3.39Å | ||
| 483 | Y | 23.3 | Very low | 26.5 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 82% | 0.82 | 76% | 0.761 | S | S | * | * | trans | 68.8 | 147.9 | 176.1 | -53.5 | -79.3 | 0 | 0 | 0 | 115.2 | ||||
| 484 | Y | 23.2 | Very low | 26 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | cis | 63.8 | 148.3 | 48.3 | -103.8 | -89.1 | 0 | 0 | 0 | 113.8 | ||||
| 485 | Y | 27.8 | Very low | 25.7 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 76 | 99.9 | 179.6 | -61.6 | -78.4 | 0 | 0 | 0 | 118 | ||||
| 486 | S | 21.1 | Very low | 25.3 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -83.8 | 114.3 | 150.8 | 43.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 487 | S | 24.2 | Very low | 24.9 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -170.1 | 127.6 | 145.9 | 34.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 488 | S | 25.7 | Very low | 24.7 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 57.2 | 114.4 | 146.2 | 59.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 489 | N | 26.4 | Very low | 24.6 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | 87.6 | 131.1 | 123.1 | -78.5 | 57.5 | 0 | 0 | 0 | 122.8 | |||||
| 490 | D | 26.9 | Very low | 24.4 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 62.1 | 125.6 | 138.5 | -57.2 | -33.6 | 0 | 0 | 0 | 121.6 | ||||
| 491 | G | 25.5 | Very low | 24.3 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | 119.7 | 77 | 114 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 492 | A | 24.5 | Very low | 24.2 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 93% | 0.934 | 76% | 0.758 | S | S | * | * | trans | 65.3 | 170.6 | 150 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 493 | S | 22.8 | Very low | 24.3 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -106.2 | 138.3 | -173 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 494 | F | 25.2 | Very low | 24.3 | Very low | 207 Ų | 207 | 135.4 Ų | 135.4 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -150 | 165.2 | 152.1 | -121.3 | -83.6 | 0 | 0 | 0 | 111.1 | ||||
| 495 | T | 23.5 | Very low | 24.6 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -127.4 | 162.1 | -174.8 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 496 | D | 25.7 | Very low | 24.5 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 79.5 | 153.8 | 154.8 | -52.6 | -51.2 | 0 | 0 | 0 | 121.1 | ||||
| 497 | T | 24.2 | Very low | 24.7 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 71.8 | 145.3 | 167.6 | 61.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 498 | E | 22.5 | Very low | 25 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | cis | -166.5 | 151.7 | -31.3 | -130.3 | 177.6 | -165.2 | 0 | 0 | 110.8 | ||||
| 499 | G | 24.7 | Very low | 25 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 63.3 | 175.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 500 | E | 23.5 | Very low | 25 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -162.2 | 147.8 | -31.3 | -115.8 | -150.6 | 145.2 | 0 | 0 | 109.6 | ||||
| 501 | R | 22.1 | Very low | 24.9 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | 56.5 | 106 | 150.1 | -61.6 | -178.5 | -162 | -173.8 | 17.3 | 122.1 | ||||
| 502 | C | 22.2 | Very low | 24.8 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | 60.2 | 112.4 | 108.7 | -67 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 503 | H | 25.2 | Very low | 24.9 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | 96.6 | 137.3 | 123.7 | -70.5 | -50.6 | 0 | 0 | 0 | 124 | |||||
| 504 | S | 24 | Very low | 25.1 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 70 | 104.8 | 141.8 | 62.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 505 | N | 29.4 | Very low | 25.1 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | 171.1 | 151.7 | 108.6 | -81 | -0.1 | 0 | 0 | 0 | 107.5 | |||||
| 506 | E | 25 | Very low | 25.1 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | cis | 176.3 | 166.2 | -28.8 | -116.2 | -174.9 | 167.5 | 0 | 0 | 104.2 | ||||
| 507 | D | 24.8 | Very low | 25.2 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | 64.9 | 138.5 | -171.9 | -67.1 | -33.7 | 0 | 0 | 0 | 116.2 | ||||
| 508 | T | 31.2 | Very low | 25.3 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | cis | -142.2 | 142.7 | 12.9 | -1.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 509 | V | 25.6 | Very low | 25.5 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | 72.9 | 124.1 | 155.7 | -177.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 510 | A | 26.4 | Very low | 25.8 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | trans | 61.4 | 104.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 511 | S | 24.7 | Very low | 26.1 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 62.6 | 99.8 | 67.6 | 78 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 512 | S | 23.1 | Very low | 26.6 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | 76.4 | 143.2 | 93.4 | 87.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 513 | D | 26.5 | Very low | 27.4 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | cis | -131 | 161.7 | 13.7 | -78.5 | -82 | 0 | 0 | 0 | 109.8 | ||||
| 514 | V | 28.4 | Very low | 28.4 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | 44.5 | 136.3 | 84.7 | -159.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 515 | D | 24.1 | Very low | 30.2 | Very low | 146 Ų | 146 | 121 Ų | 121 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | 65.9 | -177.1 | -171 | -59.2 | -34.6 | 0 | 0 | 0 | 115 | ||||
| 516 | S | 23.9 | Very low | 32 | Very low | 83 Ų | 83 | 116.9 Ų | 116.9 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | trans | 73.3 | 46.9 | 173.5 | -48.3 | 0 | 0 | 0 | 0 | 119 | A519 | S516-A519 WeakPolarHBondContact O-CB 3.43Š| ||
| 517 | L | 28 | Very low | 34.5 | Very low | 144 Ų | 144 | 112.2 Ų | 112.2 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -102.8 | 5.5 | 131 | -118.9 | 176 | 0 | 0 | 0 | 113.1 | A519 | L517-A519 PolarHBondContact O-N 3.38Š|
| 518 | S | 26.4 | Very low | 37 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 57.8 | 138.6 | 56 | 0 | 0 | 0 | 0 | 110.1 | ||
| 519 | A | 26 | Very low | 39.1 | Very low | 57 Ų | 57 | 106.6 Ų | 106.6 | 47% | 0.471 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -152.8 | 21.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S516 L517 H521 | S516-A519 WeakPolarHBondContact O-CB 3.43Å; L517-A519 PolarHBondContact O-N 3.38Å; A519-H521 PolarHBondContact O-N 3.26Å |
| 520 | W | 30.9 | Very low | 40.8 | Very low | 216 Ų | 216 | 107.5 Ų | 107.5 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -66 | 124.8 | 139.7 | -72.3 | 59.7 | 0 | 0 | 0 | 105 | T522 | W520-T522 PolarHBondContact O-N 2.99Š|
| 521 | H | 31.3 | Very low | 42.8 | Very low | 178 Ų | 178 | 105 Ų | 105 | 82% | 0.824 | 60% | 0.602 | S | S | * | * | trans | -69 | 86.5 | 167.1 | -93.9 | -92.1 | 0 | 0 | 0 | 107.8 | A519 D523 | A519-H521 PolarHBondContact O-N 3.26Å; H521-D523 PolarHBondContact O-N 3.09Å | ||
| 522 | T | 31.7 | Very low | 44.9 | Very low | 125 Ų | 125 | 103.6 Ų | 103.6 | 77% | 0.767 | 59% | 0.587 | S | S | * | * | trans | -65.3 | 89.6 | 152.6 | 52.9 | 0 | 0 | 0 | 0 | 106.3 | W520 S524 | W520-T522 PolarHBondContact O-N 2.99Å; T522-S524 PolarHBondContact O-N 2.95Å | ||
| 523 | D | 39.3 | Very low | 46.9 | Very low | 86 Ų | 86 | 102.6 Ų | 102.6 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | trans | -50.5 | 124.7 | 156.7 | -83.3 | -27.6 | 0 | 0 | 0 | 106.4 | H521 S525 | H521-D523 PolarHBondContact O-N 3.09Å; D523-S525 PolarHBondContact O-N 3.16Å | ||
| 524 | S | 45.5 | Very low | 48.8 | Very low | 129 Ų | 129 | 101.7 Ų | 101.7 | 90% | 0.902 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 28.4 | -164.3 | 60 | 0 | 0 | 0 | 0 | 113.4 | T522 | T522-S524 PolarHBondContact O-N 2.95Š|
| 525 | S | 61.7 | Low | 50.7 | Low | 20 Ų | 20 | 96.4 Ų | 96.4 | 14% | 0.14 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -26.5 | -174.2 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | D523 S1986 V1987 S1988 | D523-S525 PolarHBondContact O-N 3.16Å; S525-S1986 VanDerWaalsContact O-O 3.13Å; S525-V1987 CarbonylContact O-C 3.6Å; S525-V1987 VanDerWaalsContact O-CA 3.29Å; S525-V1987 WeakPolarHBondContact O-CA 3.29Å; S525-S1988 VanDerWaalsContact CA-OG 3.27Å; S525-S1988 WeakPolarHBondContact CA-OG 3.48Å; S525-S1988 VanDerWaalsContact CB-OG 3.29Å; S525-S1988 WeakPolarHBondContact CB-OG 3.43Å; S525-S1988 PolarHBondContact O-N 2.99Å |
| 526 | V | 68.6 | Low | 52.6 | Low | 57 Ų | 57 | 93.3 Ų | 93.3 | 35% | 0.345 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.2 | -174.2 | -162.6 | 0 | 0 | 0 | 0 | 111.6 | K1985 S1986 V1987 | V526-K1985 HydrophobicContact CG1-CB 4.31Å; V526-S1986 WeakPolarHBondContact CA-O 3.43Å; V526-V1987 HydrophobicContact CG1-CG2 4.4Å; V526-V1987 HydrophobicContact CG2-CG2 4.21Å |
| 527 | V | 76.6 | Confident | 54.5 | Low | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.3 | 175.6 | -179 | 0 | 0 | 0 | 0 | 109.3 | K1985 S1986 | V527-K1985 CarbonylContact O-C 3.6Å; V527-K1985 WeakPolarHBondContact O-CA 3.06Å; V527-S1986 PolarHBondContact N-O 2.75Å; V527-S1986 PolarHBondContact O-N 3.14Å |
| 528 | V | 76.5 | Confident | 56.2 | Low | 94 Ų | 94 | 86 Ų | 86 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 141 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 529 | H | 76.5 | Confident | 57.6 | Low | 65 Ų | 65 | 86.4 Ų | 86.4 | 30% | 0.301 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.1 | -176.7 | -57 | -87.8 | 0 | 0 | 0 | 111.3 | Y1984 S1986 | H529-Y1984 HydrophobicContact CB-CD1 3.41Å; H529-Y1984 VanDerWaalsContact CB-CD1 3.41Å; H529-Y1984 HydrophobicContact CB-CE1 3.66Å; H529-Y1984 HydrophobicContact CB-CG 4.14Å; H529-Y1984 AromaticContact CD2-CE1 3.74Å; H529-Y1984 AromaticContact CD2-CZ 3.82Å; H529-Y1984 AromaticContact CG-CD1 3.99Å; H529-Y1984 AromaticContact CG-CE1 3.76Å; H529-Y1984 PolarHBondContact N-O 2.88Å; H529-S1986 PolarHBondContact NE2-OG 2.77Å |
| 530 | D | 61.9 | Low | 59 | Low | 154 Ų | 154 | 86.9 Ų | 86.9 | 82% | 0.824 | 45% | 0.451 | S | S | * | . | trans | -74.1 | 135.4 | 175.4 | -76.2 | -45.2 | 0 | 0 | 0 | 111.7 | N532 | D530-N532 PolarHBondContact O-N 3.03Š| ||
| 531 | L | 68.2 | Low | 59.7 | Low | 28 Ų | 28 | 82.2 Ų | 82.2 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | trans | -78.7 | 104.5 | 177.2 | -77.7 | 175 | 0 | 0 | 0 | 111.7 | R533 V1930 L1974 W1981 F1982 | L531-R533 PolarHBondContact O-N 2.9Å; L531-R533 VanDerWaalsContact O-N 3.1Å; L531-V1930 HydrophobicContact CB-CG1 4.2Å; L531-V1930 HydrophobicContact CD2-CB 4.19Å; L531-V1930 HydrophobicContact CD2-CG1 3.98Å; L531-V1930 HydrophobicContact CD2-CG2 4.35Å; L531-V1930 HydrophobicContact CG-CG1 4.5Å; L531-L1974 HydrophobicContact CD2-CD2 3.99Å; L531-W1981 HydrophobicContact CD1-CB 4.01Å; L531-F1982 VanDerWaalsContact CD1-C 3.48Å | ||
| 532 | N | 67.7 | Low | 60.6 | Low | 72 Ų | 72 | 81 Ų | 81 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 87.7 | -174.7 | -146.8 | -28.9 | 0 | 0 | 0 | 111.2 | D530 S1931 E1933 | D530-N532 PolarHBondContact O-N 3.03Å; N532-S1931 PolarHBondContact O-N 3.2Å; N532-E1933 PolarHBondContact ND2-OE1 2.93Å |
| 533 | R | 66.3 | Low | 61.4 | Low | 75 Ų | 75 | 75.4 Ų | 75.4 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 147.4 | -178.5 | -70.1 | -177.1 | -170.3 | 93.7 | -5.8 | 112.9 | L531 Q538 D1928 V1930 W1981 | L531-R533 PolarHBondContact O-N 2.9Å; L531-R533 VanDerWaalsContact O-N 3.1Å; R533-Q538 VanDerWaalsContact CB-OE1 3.28Å; R533-Q538 VanDerWaalsContact CD-OE1 3.23Å; R533-D1928 WeakPolarHBondContact CD-OD2 3.2Å; R533-D1928 IonicContact CZ-OD2 3.63Å; R533-D1928 IonicContact NE-OD1 3Å; R533-D1928 IonicContact NE-OD2 3.77Å; R533-D1928 PolarHBondContact NE-OD2 3.26Å; R533-D1928 IonicContact NH2-OD2 2.71Å; R533-V1930 HydrophobicContact CG-CG1 3.59Å; R533-W1981 PolarHBondContact NH2-O 2.67Å |
| 534 | H | 66.2 | Low | 61.7 | Low | 109 Ų | 109 | 74 Ų | 74 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | trans | -106.9 | 1.6 | -176.6 | -67.5 | -26.8 | 0 | 0 | 0 | 115.3 | L536 | H534-L536 PolarHBondContact O-N 3.29Š| ||
| 535 | N | 67.3 | Low | 61.5 | Low | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.043 | 39% | 0.391 | C | S | . | . | trans | -61.5 | 125.4 | -176.3 | -52.9 | -28.8 | 0 | 0 | 0 | 111.6 | W537 Q538 N539 D1928 | N535-W537 VanDerWaalsContact C-N 3.27Å; N535-W537 PolarHBondContact O-N 3.35Å; N535-Q538 HydrophobicContact CB-CG 4.24Å; N535-Q538 PolarHBondContact ND2-NE2 3.36Å; N535-Q538 PolarHBondContact O-N 3.46Å; N535-N539 PolarHBondContact O-ND2 3.02Å; N535-D1928 PolarHBondContact ND2-OD1 2.93Å | ||
| 536 | L | 63.6 | Low | 60.2 | Low | 80 Ų | 80 | 79.6 Ų | 79.6 | 42% | 0.419 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -59.2 | -35.8 | 179.3 | -65.8 | 166.5 | 0 | 0 | 0 | 112.3 | H534 Q538 N539 D1895 | H534-L536 PolarHBondContact O-N 3.29Å; L536-Q538 VanDerWaalsContact C-N 3.28Å; L536-Q538 PolarHBondContact O-N 2.96Å; L536-N539 PolarHBondContact O-N 2.92Å; L536-D1895 WeakPolarHBondContact CA-OD1 3.5Å; L536-D1895 HydrophobicContact CB-CB 4.46Å; L536-D1895 WeakPolarHBondContact CB-OD1 3.41Å; L536-D1895 WeakPolarHBondContact CB-OD2 3.39Å; L536-D1895 HydrophobicContact CD1-CB 4.42Å; L536-D1895 WeakPolarHBondContact CG-OD2 3.4Å; L536-D1895 PolarHBondContact N-OD1 3.37Å; L536-D1895 PolarHBondContact N-OD2 2.99Å |
| 537 | W | 64.4 | Low | 58.4 | Low | 15 Ų | 15 | 80.2 Ų | 80.2 | 6% | 0.057 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -64.6 | -29.9 | -178.9 | 70.6 | -101 | 0 | 0 | 0 | 113.5 | N535 N539 L544 T1887 L1894 D1895 V1898 | N535-W537 VanDerWaalsContact C-N 3.27Å; N535-W537 PolarHBondContact O-N 3.35Å; W537-N539 VanDerWaalsContact C-N 3.35Å; W537-L544 HydrophobicContact CZ3-CD1 4.25Å; W537-L544 HydrophobicContact CZ3-CD2 4.22Å; W537-L544 HydrophobicContact CZ3-CG 4.37Å; W537-T1887 HydrophobicContact CE3-CG2 4.26Å; W537-T1887 HydrophobicContact CH2-CG2 3.22Å; W537-T1887 HydrophobicContact CZ2-CG2 4.1Å; W537-T1887 HydrophobicContact CZ3-CG2 3.3Å; W537-L1894 HydrophobicContact CB-CB 4.27Å; W537-L1894 HydrophobicContact CD2-CD1 4.14Å; W537-L1894 HydrophobicContact CG-CB 3.82Å; W537-L1894 HydrophobicContact CG-CD1 4.31Å; W537-L1894 HydrophobicContact CZ2-CD1 4.13Å; W537-D1895 PolarHBondContact N-OD1 2.85Å; W537-V1898 HydrophobicContact CB-CG2 3.82Å |
| 538 | Q | 63.8 | Low | 56.1 | Low | 59 Ų | 59 | 84.5 Ų | 84.5 | 28% | 0.276 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -75.6 | -24.2 | 177.4 | -67.4 | 179.1 | 9.5 | 0 | 0 | 112.7 | R533 N535 L536 I540 | R533-Q538 VanDerWaalsContact CB-OE1 3.28Å; R533-Q538 VanDerWaalsContact CD-OE1 3.23Å; N535-Q538 HydrophobicContact CB-CG 4.24Å; N535-Q538 PolarHBondContact ND2-NE2 3.36Å; N535-Q538 PolarHBondContact O-N 3.46Å; L536-Q538 VanDerWaalsContact C-N 3.28Å; L536-Q538 PolarHBondContact O-N 2.96Å; Q538-I540 PolarHBondContact O-N 3.29Å |
| 539 | N | 55 | Low | 53.8 | Low | 116 Ų | 116 | 85.8 Ų | 85.8 | 62% | 0.62 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -80.5 | 6.2 | -176.5 | -78 | -86.3 | 0 | 0 | 0 | 113.8 | N535 L536 W537 | N535-N539 PolarHBondContact O-ND2 3.02Å; L536-N539 PolarHBondContact O-N 2.92Å; W537-N539 VanDerWaalsContact C-N 3.35Å |
| 540 | I | 55.8 | Low | 51.4 | Low | 67 Ų | 67 | 86.1 Ų | 86.1 | 34% | 0.344 | 47% | 0.471 | S | S | . | . | trans | -112.1 | 100.8 | 179.5 | -58.7 | 175.3 | 0 | 0 | 0 | 108.7 | Q538 D542 L543 V1898 | Q538-I540 PolarHBondContact O-N 3.29Å; I540-D542 PolarHBondContact O-N 3.2Å; I540-D542 VanDerWaalsContact O-N 3.08Å; I540-L543 HydrophobicContact CB-CB 4.44Å; I540-L543 HydrophobicContact CB-CD1 3.93Å; I540-L543 HydrophobicContact CB-CG 4.17Å; I540-L543 HydrophobicContact CD1-CD1 3.84Å; I540-L543 HydrophobicContact CG1-CD1 4.44Å; I540-L543 HydrophobicContact CG2-CB 4.3Å; I540-L543 HydrophobicContact CG2-CD1 3.98Å; I540-L543 HydrophobicContact CG2-CG 3.79Å; I540-L543 PolarHBondContact O-N 3.03Å; I540-L543 VanDerWaalsContact O-N 3.15Å; I540-V1898 HydrophobicContact CD1-CG1 3.48Å; I540-V1898 VanDerWaalsContact CD1-CG1 3.48Å | ||
| 541 | P | 44.9 | Very low | 49.6 | Very low | 117 Ų | 117 | 84.6 Ų | 84.6 | 76% | 0.76 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.8 | -165.8 | 25.3 | -35.3 | 0 | 0 | 0 | 115 | ||
| 542 | D | 50.4 | Low | 47.5 | Very low | 153 Ų | 153 | 88.6 Ų | 88.6 | 82% | 0.818 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -4.6 | 179.7 | -63.5 | -54.2 | 0 | 0 | 0 | 114.2 | I540 | I540-D542 PolarHBondContact O-N 3.2Å; I540-D542 VanDerWaalsContact O-N 3.08Å |
| 543 | L | 48.2 | Very low | 45.4 | Very low | 8 Ų | 8 | 89.5 Ų | 89.5 | 4% | 0.042 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -32.7 | -176.8 | -88.9 | -179.3 | 0 | 0 | 0 | 114.1 | I540 R1879 P1880 I1882 V1898 W1901 | I540-L543 HydrophobicContact CB-CB 4.44Å; I540-L543 HydrophobicContact CB-CD1 3.93Å; I540-L543 HydrophobicContact CB-CG 4.17Å; I540-L543 HydrophobicContact CD1-CD1 3.84Å; I540-L543 HydrophobicContact CG1-CD1 4.44Å; I540-L543 HydrophobicContact CG2-CB 4.3Å; I540-L543 HydrophobicContact CG2-CD1 3.98Å; I540-L543 HydrophobicContact CG2-CG 3.79Å; I540-L543 PolarHBondContact O-N 3.03Å; I540-L543 VanDerWaalsContact O-N 3.15Å; L543-R1879 HydrophobicContact CD2-CB 4.07Å; L543-P1880 VanDerWaalsContact CD2-O 3.3Å; L543-P1880 WeakPolarHBondContact CD2-O 3.45Å; L543-I1882 HydrophobicContact CD1-CD1 4.12Å; L543-I1882 HydrophobicContact CD2-CG1 4.44Å; L543-I1882 PolarHBondContact O-N 3.03Å; L543-I1882 VanDerWaalsContact O-O 3.14Å; L543-V1898 HydrophobicContact CD1-CG2 3.96Å; L543-W1901 HydrophobicContact CD1-CZ2 4.41Å; L543-W1901 HydrophobicContact CD2-CZ2 4.15Å |
| 544 | L | 45.9 | Very low | 43.5 | Very low | 57 Ų | 57 | 95.6 Ų | 95.6 | 30% | 0.298 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 114.5 | -178 | -86.2 | 167.9 | 0 | 0 | 0 | 111.4 | W537 L546 T1887 | W537-L544 HydrophobicContact CZ3-CD1 4.25Å; W537-L544 HydrophobicContact CZ3-CD2 4.22Å; W537-L544 HydrophobicContact CZ3-CG 4.37Å; L544-L546 PolarHBondContact O-N 2.93Å; L544-T1887 HydrophobicContact CD2-CG2 3.85Å |
| 545 | Q | 41.6 | Very low | 41.5 | Very low | 129 Ų | 129 | 92.9 Ų | 92.9 | 60% | 0.603 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 84.3 | 158.8 | -78.3 | -162.6 | 18.7 | 0 | 0 | 110 | S547 A1881 I1882 | Q545-S547 PolarHBondContact O-N 3.42Å; Q545-A1881 HydrophobicContact CG-CB 4.3Å; Q545-I1882 PolarHBondContact N-O 3.25Å |
| 546 | L | 34.5 | Very low | 39.6 | Very low | 137 Ų | 137 | 99.3 Ų | 99.3 | 72% | 0.717 | 59% | 0.588 | S | S | * | * | trans | -60 | 103.2 | 158 | -72.5 | 172.8 | 0 | 0 | 0 | 108.3 | L544 D548 | L544-L546 PolarHBondContact O-N 2.93Å; L546-D548 PolarHBondContact O-N 3.33Å | ||
| 547 | S | 31 | Very low | 38 | Very low | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 61% | 0.611 | S | S | . | * | trans | -64.1 | 130.7 | 163.8 | 58.8 | 0 | 0 | 0 | 0 | 108.8 | Q545 N549 | Q545-S547 PolarHBondContact O-N 3.42Å; S547-N549 PolarHBondContact O-N 3.35Å | ||
| 548 | D | 29.4 | Very low | 36.6 | Very low | 162 Ų | 162 | 107.3 Ų | 107.3 | 87% | 0.866 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 9.8 | -173.8 | -69.8 | -61.2 | 0 | 0 | 0 | 116.6 | L546 | L546-D548 PolarHBondContact O-N 3.33Š|
| 549 | N | 27.7 | Very low | 35.8 | Very low | 120 Ų | 120 | 110.3 Ų | 110.3 | 64% | 0.642 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -5.5 | -179.6 | -69 | 29.4 | 0 | 0 | 0 | 113.9 | S547 | S547-N549 PolarHBondContact O-N 3.35Š|
| 550 | G | 24.7 | Very low | 35.5 | Very low | 73 Ų | 73 | 108.5 Ų | 108.5 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | trans | -92.9 | -11.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 551 | V | 24.8 | Very low | 35.9 | Very low | 122 Ų | 122 | 107.5 Ų | 107.5 | 74% | 0.739 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -89.8 | 130.8 | -178.5 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | A553 | V551-A553 PolarHBondContact O-N 2.98Š|
| 552 | S | 24.6 | Very low | 37.1 | Very low | 112 Ų | 112 | 106.5 Ų | 106.5 | 78% | 0.783 | 62% | 0.616 | S | S | * | * | trans | -70.2 | 66.7 | -178.5 | 44.9 | 0 | 0 | 0 | 0 | 113.5 | Q554 | S552-Q554 VanDerWaalsContact C-N 3.28Å; S552-Q554 PolarHBondContact O-N 2.91Å | ||
| 553 | A | 24 | Very low | 38.7 | Very low | 90 Ų | 90 | 99.7 Ų | 99.7 | 74% | 0.744 | 58% | 0.58 | S | S | * | * | trans | -71.9 | 72.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V551 G555 | V551-A553 PolarHBondContact O-N 2.98Å; A553-G555 PolarHBondContact O-N 2.91Å | ||
| 554 | Q | 25 | Very low | 40.7 | Very low | 203 Ų | 203 | 102.1 Ų | 102.1 | 95% | 0.949 | 59% | 0.593 | S | S | * | * | trans | -67.6 | 76.4 | 162.8 | -70.4 | -168.6 | -3.2 | 0 | 0 | 110 | S552 | S552-Q554 VanDerWaalsContact C-N 3.28Å; S552-Q554 PolarHBondContact O-N 2.91Å | ||
| 555 | G | 24.7 | Very low | 42.8 | Very low | 53 Ų | 53 | 100.9 Ų | 100.9 | 55% | 0.546 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -159.5 | 70.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A553 | A553-G555 PolarHBondContact O-N 2.91Š|
| 556 | T | 26.8 | Very low | 45.3 | Very low | 143 Ų | 143 | 94.9 Ų | 94.9 | 88% | 0.877 | 56% | 0.561 | S | S | * | * | trans | 53.7 | 99.8 | 168.6 | 53.4 | 0 | 0 | 0 | 0 | 116.4 | G558 | T556-G558 PolarHBondContact O-N 3.14Š| ||
| 557 | K | 29.9 | Very low | 48.1 | Very low | 208 Ų | 208 | 89.6 Ų | 89.6 | 90% | 0.904 | 53% | 0.533 | S | S | * | . | trans | -61.6 | 97.6 | 173.6 | -68.9 | -179.6 | 178.6 | 178.6 | 0 | 112.1 | ||||
| 558 | G | 36.2 | Very low | 51 | Low | 55 Ų | 55 | 86.2 Ų | 86.2 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | trans | -98.3 | 128.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | T556 L560 | T556-G558 PolarHBondContact O-N 3.14Å; G558-L560 PolarHBondContact O-N 3.38Å | ||
| 559 | Q | 45.7 | Very low | 54.1 | Low | 121 Ų | 121 | 79.1 Ų | 79.1 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | trans | -66.3 | 115.8 | 173.2 | -71.7 | -173.8 | -54.5 | 0 | 0 | 108.8 | ||||
| 560 | L | 50.6 | Low | 57.2 | Low | 78 Ų | 78 | 80 Ų | 80 | 41% | 0.408 | 47% | 0.467 | S | S | . | . | trans | -122.4 | 109.2 | 176.8 | -64.8 | -178.6 | 0 | 0 | 0 | 108.6 | G558 H562 P585 | G558-L560 PolarHBondContact O-N 3.38Å; L560-H562 PolarHBondContact O-CE1 2.81Å; L560-H562 PolarHBondContact O-N 3.2Å; L560-H562 PolarHBondContact O-ND1 3.34Å; L560-P585 HydrophobicContact CB-CG 4.04Å | ||
| 561 | Y | 63.6 | Low | 60.5 | Low | 46 Ų | 46 | 77 Ų | 77 | 18% | 0.18 | 43% | 0.434 | C | S | . | . | trans | -64.7 | 134.2 | -167.8 | -42.7 | -70.8 | 0 | 0 | 0 | 111.4 | W447 L563 L583 | W447-Y561 HydrophobicContact CB-CD1 4.22Å; W447-Y561 HydrophobicContact CB-CD2 3.95Å; W447-Y561 HydrophobicContact CB-CE1 4.05Å; W447-Y561 HydrophobicContact CB-CE2 3.81Å; W447-Y561 HydrophobicContact CB-CG 4.13Å; W447-Y561 HydrophobicContact CD2-CD2 4.5Å; W447-Y561 HydrophobicContact CE3-CD2 4.14Å; W447-Y561 HydrophobicContact CE3-CG 4.47Å; W447-Y561 HydrophobicContact CG-CD2 4.46Å; W447-Y561 HydrophobicContact CG-CE2 4.4Å; W447-Y561 WeakPolarHBondContact O-CD1 3.44Å; W447-Y561 WeakPolarHBondContact O-CE1 3.36Å; Y561-L563 VanDerWaalsContact C-N 3.26Å; Y561-L563 PolarHBondContact O-N 3.24Å; Y561-L563 VanDerWaalsContact O-N 3.17Å; Y561-L583 WeakPolarHBondContact CB-O 3.14Å; Y561-L583 WeakPolarHBondContact CD2-O 3.35Å | ||
| 562 | H | 70.6 | Confident | 63.8 | Low | 97 Ų | 97 | 77.4 Ų | 77.4 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | trans | -84.8 | 16.9 | -161.3 | -70.2 | -13.7 | 0 | 0 | 0 | 115.4 | P450 L452 L560 N564 | P450-H562 PolarHBondContact O-CD2 3.35Å; L452-H562 CarbonylContact O-C 3.51Å; L560-H562 PolarHBondContact O-CE1 2.81Å; L560-H562 PolarHBondContact O-N 3.2Å; L560-H562 PolarHBondContact O-ND1 3.34Å; H562-N564 PolarHBondContact O-N 3.08Å | ||
| 563 | L | 84.3 | Confident | 66.9 | Low | 9 Ų | 9 | 72.2 Ų | 72.2 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | trans | -61 | 126.6 | -175 | -148.2 | 76.3 | 0 | 0 | 0 | 111.2 | L452 L455 Y561 L566 A584 G586 L587 | L452-L563 HydrophobicContact CB-CD1 4.34Å; L452-L563 HydrophobicContact CD2-CD1 3.73Å; L452-L563 HydrophobicContact CG-CD1 3.68Å; L452-L563 WeakPolarHBondContact O-CA 3.16Å; L452-L563 PolarHBondContact O-N 2.88Å; L452-L563 VanDerWaalsContact O-N 3.12Å; L455-L563 HydrophobicContact CB-CD1 4Å; Y561-L563 VanDerWaalsContact C-N 3.26Å; Y561-L563 PolarHBondContact O-N 3.24Å; Y561-L563 VanDerWaalsContact O-N 3.17Å; L563-L566 HydrophobicContact CD2-CB 4.12Å; L563-L566 HydrophobicContact CD2-CD1 4.38Å; L563-L566 HydrophobicContact CD2-CD2 4.2Å; L563-L566 HydrophobicContact CD2-CG 4.47Å; L563-A584 HydrophobicContact CB-CB 3.92Å; L563-G586 CarbonylContact O-C 3.53Å; L563-G586 VanDerWaalsContact O-C 3.32Å; L563-L587 HydrophobicContact CB-CD1 4.2Å; L563-L587 HydrophobicContact CD2-CD1 4.07Å; L563-L587 HydrophobicContact CG-CD1 4.06Å; L563-L587 VanDerWaalsContact O-CA 3.22Å; L563-L587 WeakPolarHBondContact O-CA 3.36Å; L563-L587 PolarHBondContact O-N 3.25Å | ||
| 564 | N | 88.4 | Confident | 70 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | trans | -117.6 | -37.9 | -171.2 | -168.5 | 8.8 | 0 | 0 | 0 | 112 | K453 H562 S588 R589 | K453-N564 HydrophobicContact CB-CB 4.1Å; K453-N564 WeakPolarHBondContact O-CA 3.48Å; K453-N564 PolarHBondContact O-N 3.1Å; H562-N564 PolarHBondContact O-N 3.08Å; N564-S588 PolarHBondContact O-N 3.16Å; N564-S588 PolarHBondContact O-OG 3.48Å; N564-S588 VanDerWaalsContact OD1-CB 3.27Å; N564-S588 WeakPolarHBondContact OD1-CB 3.43Å; N564-S588 PolarHBondContact OD1-OG 2.95Å; N564-R589 PolarHBondContact O-N 3.37Å | ||
| 565 | S | 91.8 | Very high | 73 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.3 | 172.1 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | K453 D454 L455 | K453-S565 PolarHBondContact O-N 2.91Å; D454-S565 WeakPolarHBondContact OD1-CB 3.31Å; D454-S565 PolarHBondContact OD1-N 3.48Å; L455-S565 PolarHBondContact N-O 2.9Å; L455-S565 VanDerWaalsContact N-O 3.08Å |
| 566 | L | 92.7 | Very high | 75.9 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 118.5 | 176.1 | 177.8 | 56.9 | 0 | 0 | 0 | 110.6 | L455 L457 F465 L563 L568 L580 L587 R589 L590 N591 | L455-L566 HydrophobicContact CB-CD1 4.31Å; L455-L566 HydrophobicContact CD2-CD1 3.96Å; L455-L566 HydrophobicContact CG-CD1 4.07Å; L455-L566 WeakPolarHBondContact O-CA 3.49Å; L457-L566 HydrophobicContact CD1-CD1 4.42Å; F465-L566 HydrophobicContact CE2-CD1 4.45Å; F465-L566 HydrophobicContact CZ-CD1 4.26Å; F465-L566 HydrophobicContact CZ-CD2 4.24Å; L563-L566 HydrophobicContact CD2-CB 4.12Å; L563-L566 HydrophobicContact CD2-CD1 4.38Å; L563-L566 HydrophobicContact CD2-CD2 4.2Å; L563-L566 HydrophobicContact CD2-CG 4.47Å; L566-L568 HydrophobicContact CD1-CD1 4.5Å; L566-L568 HydrophobicContact CD1-CD2 4.21Å; L566-L568 HydrophobicContact CD1-CG 4.07Å; L566-L568 HydrophobicContact CD2-CD1 4.03Å; L566-L568 HydrophobicContact CD2-CG 4.44Å; L566-L568 HydrophobicContact CG-CD1 4.15Å; L566-L568 HydrophobicContact CG-CG 4.03Å; L566-L580 HydrophobicContact CD2-CD2 4.19Å; L566-L587 HydrophobicContact CB-CD1 3.82Å; L566-L587 HydrophobicContact CB-CD2 4.24Å; L566-R589 PolarHBondContact N-O 3.41Å; L566-L590 HydrophobicContact CB-CD1 4.16Å; L566-L590 HydrophobicContact CD2-CD1 4.09Å; L566-L590 HydrophobicContact CG-CD1 4.07Å; L566-L590 WeakPolarHBondContact O-CA 3.22Å; L566-N591 PolarHBondContact O-N 2.84Å |
| 567 | N | 92.7 | Very high | 78.4 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.4 | 175.9 | -174 | 9.4 | 0 | 0 | 0 | 111 | L455 D456 L457 S458 S569 | L455-N567 PolarHBondContact O-N 2.92Å; L455-N567 VanDerWaalsContact O-N 3.09Å; D456-N567 HydrophobicContact CB-CB 4.37Å; D456-N567 VanDerWaalsContact CG-ND2 3.33Å; D456-N567 PolarHBondContact OD1-ND2 2.84Å; D456-N567 WeakPolarHBondContact OD2-CB 3.45Å; D456-N567 PolarHBondContact OD2-ND2 2.92Å; L457-N567 CarbonylContact C-O 3.57Å; L457-N567 PolarHBondContact N-O 3.47Å; S458-N567 WeakPolarHBondContact CB-ND2 3.15Å; S458-N567 PolarHBondContact OG-ND2 3.17Å; N567-S569 WeakPolarHBondContact OD1-CB 3.27Å; N567-S569 PolarHBondContact OD1-N 3.42Å; N567-S569 VanDerWaalsContact OD1-N 3.12Å; N567-S569 PolarHBondContact OD1-OG 3.47Å |
| 568 | L | 93 | Very high | 80.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -121.9 | 19.8 | 176.9 | -62.9 | 170.7 | 0 | 0 | 0 | 111.3 | L457 L462 F465 L566 N571 F573 P577 N591 M592 N595 | L457-L568 HydrophobicContact CB-CD2 4.01Å; L457-L568 HydrophobicContact CD1-CD2 3.92Å; L462-L568 HydrophobicContact CD1-CD2 4.36Å; F465-L568 HydrophobicContact CD2-CD1 4.26Å; F465-L568 HydrophobicContact CD2-CD2 4.04Å; F465-L568 HydrophobicContact CE2-CD1 4.46Å; F465-L568 HydrophobicContact CE2-CD2 3.87Å; L566-L568 HydrophobicContact CD1-CD1 4.5Å; L566-L568 HydrophobicContact CD1-CD2 4.21Å; L566-L568 HydrophobicContact CD1-CG 4.07Å; L566-L568 HydrophobicContact CD2-CD1 4.03Å; L566-L568 HydrophobicContact CD2-CG 4.44Å; L566-L568 HydrophobicContact CG-CD1 4.15Å; L566-L568 HydrophobicContact CG-CG 4.03Å; L568-N571 PolarHBondContact O-ND2 3.42Å; L568-F573 HydrophobicContact CB-CE2 4.1Å; L568-F573 HydrophobicContact CD1-CE2 4.24Å; L568-F573 HydrophobicContact CD1-CZ 4.11Å; L568-F573 HydrophobicContact CD2-CE2 4.02Å; L568-F573 HydrophobicContact CD2-CZ 4.1Å; L568-F573 HydrophobicContact CG-CE2 4.36Å; L568-P577 HydrophobicContact CD1-CG 4.38Å; L568-N591 CarbonylContact C-O 3.39Å; L568-N591 WeakPolarHBondContact CA-O 3.43Å; L568-N591 PolarHBondContact N-O 2.66Å; L568-M592 HydrophobicContact CB-CE 4.41Å; L568-M592 HydrophobicContact CB-CG 4.25Å; L568-M592 HydrophobicContact CD1-CE 4.09Å; L568-M592 HydrophobicContact CD1-CG 4.49Å; L568-M592 HydrophobicContact CD1-SD 4.43Å; L568-N595 PolarHBondContact O-ND2 3.4Å | ||
| 569 | S | 94 | Very high | 82.1 | Confident | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | trans | -62.5 | 153.6 | 178.2 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | S458 D459 N567 N571 N591 S593 | S458-S569 VanDerWaalsContact CA-O 3.29Å; S458-S569 WeakPolarHBondContact CA-O 3.47Å; S458-S569 WeakPolarHBondContact CB-OG 3.48Å; D459-S569 PolarHBondContact N-O 2.79Å; N567-S569 WeakPolarHBondContact OD1-CB 3.27Å; N567-S569 PolarHBondContact OD1-N 3.42Å; N567-S569 VanDerWaalsContact OD1-N 3.12Å; N567-S569 PolarHBondContact OD1-OG 3.47Å; S569-N571 PolarHBondContact O-N 3.29Å; S569-N571 PolarHBondContact O-ND2 3.03Å; S569-N591 PolarHBondContact N-O 3.1Å; S569-S593 CarbonylContact C-O 3.55Å; S569-S593 VanDerWaalsContact CA-O 3.22Å; S569-S593 WeakPolarHBondContact CA-O 3.48Å; S569-S593 WeakPolarHBondContact CB-O 3.4Å | ||
| 570 | R | 94.2 | Very high | 83.7 | Confident | 137 Ų | 137 | 50.4 Ų | 50.4 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 52 | 54.7 | -179.4 | -60.2 | 179.3 | 174.1 | -171 | -1.7 | 113.5 | D459 N460 S593 Y594 | D459-R570 WeakPolarHBondContact OD1-CD 3.39Å; D459-R570 WeakPolarHBondContact OD2-CD 3.34Å; D459-R570 IonicContact OD2-CZ 3.61Å; D459-R570 IonicContact OD2-NE 3.91Å; D459-R570 IonicContact OD2-NH1 3.52Å; D459-R570 PolarHBondContact OD2-NH1 3.25Å; N460-R570 PolarHBondContact N-O 3.15Å; R570-S593 PolarHBondContact N-O 3.38Å; R570-Y594 WeakPolarHBondContact CA-O 3.33Å |
| 571 | N | 93.3 | Very high | 85 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -127.5 | -157.7 | 174.2 | -86.4 | -88.6 | 0 | 0 | 0 | 108.9 | L457 N460 K461 L462 L568 S569 F573 N595 | L457-N571 PolarHBondContact O-ND2 3.42Å; N460-N571 WeakPolarHBondContact CB-OD1 3.47Å; N460-N571 PolarHBondContact O-OD1 3.01Å; K461-N571 PolarHBondContact N-OD1 3.08Å; L462-N571 HydrophobicContact CB-CB 4.49Å; L462-N571 VanDerWaalsContact CB-OD1 3.29Å; L462-N571 WeakPolarHBondContact CB-OD1 3.45Å; L462-N571 WeakPolarHBondContact CG-OD1 3.48Å; L462-N571 PolarHBondContact N-OD1 3.2Å; L568-N571 PolarHBondContact O-ND2 3.42Å; S569-N571 PolarHBondContact O-N 3.29Å; S569-N571 PolarHBondContact O-ND2 3.03Å; N571-F573 HydrophobicContact CB-CD2 3.78Å; N571-F573 HydrophobicContact CB-CE2 3.9Å; N571-N595 WeakPolarHBondContact CA-OD1 3.47Å; N571-N595 WeakPolarHBondContact CB-OD1 3.47Å; N571-N595 PolarHBondContact N-OD1 3.41Å; N571-N595 PolarHBondContact O-OD1 2.68Å |
| 572 | R | 93.9 | Very high | 85.5 | Confident | 130 Ų | 130 | 45.2 Ų | 45.2 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | trans | -122.7 | 26.7 | -173.4 | -59.3 | 178.9 | 176.2 | 171.4 | -4.5 | 113.4 | L462 E574 N595 | L462-R572 CarbonylContact O-C 3.02Å; L462-R572 WeakPolarHBondContact O-CA 3.48Å; L462-R572 WeakPolarHBondContact O-CB 3.37Å; L462-R572 PolarHBondContact O-N 3.38Å; R572-E574 PolarHBondContact O-N 3.41Å; R572-N595 PolarHBondContact N-OD1 3.03Å | ||
| 573 | F | 90.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | trans | -70 | 121.7 | -178.2 | -72.5 | -89.9 | 0 | 0 | 0 | 112 | L462 F465 L568 N571 P577 M592 N595 L596 L597 | L462-F573 HydrophobicContact CB-CE2 3.8Å; L462-F573 HydrophobicContact CB-CZ 3.97Å; F465-F573 HydrophobicContact CB-CE1 4.02Å; F465-F573 HydrophobicContact CB-CZ 4.37Å; F465-F573 HydrophobicContact CD2-CZ 4.28Å; L568-F573 HydrophobicContact CB-CE2 4.1Å; L568-F573 HydrophobicContact CD1-CE2 4.24Å; L568-F573 HydrophobicContact CD1-CZ 4.11Å; L568-F573 HydrophobicContact CD2-CE2 4.02Å; L568-F573 HydrophobicContact CD2-CZ 4.1Å; L568-F573 HydrophobicContact CG-CE2 4.36Å; N571-F573 HydrophobicContact CB-CD2 3.78Å; N571-F573 HydrophobicContact CB-CE2 3.9Å; F573-P577 HydrophobicContact CD1-CG 4.49Å; F573-P577 HydrophobicContact CE1-CG 4.21Å; F573-M592 HydrophobicContact CB-CE 3.59Å; F573-M592 HydrophobicContact CD1-CE 3.84Å; F573-M592 HydrophobicContact CD2-CE 3.8Å; F573-M592 HydrophobicContact CE1-CE 4.46Å; F573-M592 HydrophobicContact CE2-CE 4.46Å; F573-M592 HydrophobicContact CG-CE 3.46Å; F573-M592 VanDerWaalsContact CG-CE 3.46Å; F573-N595 HydrophobicContact CB-CB 4.37Å; F573-N595 WeakPolarHBondContact CD2-OD1 3.39Å; F573-N595 PolarHBondContact N-OD1 3.34Å; F573-L596 CarbonylContact O-C 3.47Å; F573-L596 VanDerWaalsContact O-C 3.3Å; F573-L596 WeakPolarHBondContact O-CA 3.45Å; F573-L596 PolarHBondContact O-N 2.97Å; F573-L597 HydrophobicContact CB-CD2 4.24Å; F573-L597 PolarHBondContact O-N 3.04Å | ||
| 574 | E | 89.3 | Confident | 85.7 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 46% | 0.463 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -87.6 | -19.1 | 172.8 | -63.1 | -143.8 | 122 | 0 | 0 | 113.8 | R572 L596 L597 R598 | R572-E574 PolarHBondContact O-N 3.41Å; E574-L596 HydrophobicContact CG-CB 4.18Å; E574-L597 WeakPolarHBondContact O-CA 3.36Å; E574-R598 VanDerWaalsContact CD-NH2 3.28Å; E574-R598 IonicContact OE1-CZ 3.42Å; E574-R598 IonicContact OE1-NE 3.23Å; E574-R598 IonicContact OE1-NH2 3.6Å; E574-R598 PolarHBondContact OE1-NH2 3.46Å; E574-R598 IonicContact OE2-CZ 3.27Å; E574-R598 IonicContact OE2-NH2 3.05Å; E574-R598 PolarHBondContact OE2-NH2 3.44Å |
| 575 | S | 87.4 | Confident | 85.3 | Confident | 77 Ų | 77 | 39 Ų | 39 | 54% | 0.538 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -146.4 | 152.6 | 177 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | L597 | S575-L597 VanDerWaalsContact CA-CD2 3.5Š|
| 576 | V | 85.2 | Confident | 84.7 | Confident | 13 Ų | 13 | 39.6 Ų | 39.6 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 137 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | Q578 L580 M592 L597 Y606 | V576-Q578 PolarHBondContact O-N 3.02Å; V576-L580 HydrophobicContact CG1-CD1 4.38Å; V576-M592 HydrophobicContact CG1-SD 4.35Å; V576-M592 HydrophobicContact CG2-SD 4.47Å; V576-L597 HydrophobicContact CG2-CD1 4.17Å; V576-L597 HydrophobicContact CG2-CD2 4.18Å; V576-Y606 HydrophobicContact CG1-CE1 4.03Å |
| 577 | P | 78.5 | Confident | 84.5 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -57 | 123.1 | -177.1 | -28 | 35.7 | 0 | 0 | 0 | 113.2 | F465 L568 F573 L580 M592 T605 | F465-P577 HydrophobicContact CB-CB 3.89Å; F465-P577 HydrophobicContact CB-CG 3.8Å; F465-P577 HydrophobicContact CG-CG 4.41Å; L568-P577 HydrophobicContact CD1-CG 4.38Å; F573-P577 HydrophobicContact CD1-CG 4.49Å; F573-P577 HydrophobicContact CE1-CG 4.21Å; P577-L580 HydrophobicContact CB-CD1 3.86Å; P577-L580 HydrophobicContact CB-CG 4.14Å; P577-L580 HydrophobicContact CG-CD1 4.07Å; P577-M592 HydrophobicContact CG-CE 4.41Å; P577-T605 WeakPolarHBondContact O-CG2 3.45Å |
| 578 | Q | 70.8 | Confident | 84.4 | Confident | 137 Ų | 137 | 39.1 Ų | 39.1 | 64% | 0.64 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 148.8 | 178.6 | -62.1 | -164.6 | 15.8 | 0 | 0 | 111.2 | L467 V576 L580 | L467-Q578 WeakPolarHBondContact CD2-O 3.49Å; V576-Q578 PolarHBondContact O-N 3.02Å; Q578-L580 VanDerWaalsContact C-N 3.26Å; Q578-L580 PolarHBondContact O-N 3.08Å |
| 579 | M | 73.1 | Confident | 84.4 | Confident | 73 Ų | 73 | 45.8 Ų | 45.8 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 8.4 | 179.9 | -57.4 | -170.1 | 60.9 | 0 | 0 | 117 | L467 S581 C582 L583 | L467-M579 HydrophobicContact CD2-CB 4.28Å; M579-S581 PolarHBondContact O-N 2.92Å; M579-S581 VanDerWaalsContact O-N 3.11Å; M579-C582 HydrophobicContact CE-CB 4.29Å; M579-C582 WeakPolarHBondContact O-CA 3.25Å; M579-C582 WeakPolarHBondContact O-CB 3.38Å; M579-C582 PolarHBondContact O-N 3.13Å; M579-L583 HydrophobicContact CB-CD1 3.98Å; M579-L583 HydrophobicContact CB-CG 4.23Å; M579-L583 WeakPolarHBondContact O-CG 3.3Å; M579-L583 PolarHBondContact O-N 3.05Å |
| 580 | L | 81 | Confident | 84.4 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -45.1 | -43.6 | 169.9 | -103.2 | 167.7 | 0 | 0 | 0 | 113 | L566 V576 P577 Q578 C582 L583 A584 L587 L590 T605 | L566-L580 HydrophobicContact CD2-CD2 4.19Å; V576-L580 HydrophobicContact CG1-CD1 4.38Å; P577-L580 HydrophobicContact CB-CD1 3.86Å; P577-L580 HydrophobicContact CB-CG 4.14Å; P577-L580 HydrophobicContact CG-CD1 4.07Å; Q578-L580 VanDerWaalsContact C-N 3.26Å; Q578-L580 PolarHBondContact O-N 3.08Å; L580-C582 PolarHBondContact O-N 2.82Å; L580-C582 VanDerWaalsContact O-N 3.1Å; L580-L583 PolarHBondContact O-N 3.2Å; L580-A584 HydrophobicContact CD2-CB 4.28Å; L580-A584 PolarHBondContact O-N 2.74Å; L580-L587 HydrophobicContact CD2-CD2 4.2Å; L580-L590 HydrophobicContact CD1-CD2 4Å; L580-T605 WeakPolarHBondContact CB-O 3.49Å |
| 581 | S | 76.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -48 | -33.5 | 172.1 | 58.8 | 0 | 0 | 0 | 0 | 115.9 | M579 N604 T605 Y606 H684 R685 | M579-S581 PolarHBondContact O-N 2.92Å; M579-S581 VanDerWaalsContact O-N 3.11Å; S581-N604 WeakPolarHBondContact CB-O 3.18Å; S581-N604 PolarHBondContact OG-O 3.36Å; S581-N604 VanDerWaalsContact OG-O 3.06Å; S581-T605 WeakPolarHBondContact CB-O 3.25Å; S581-T605 PolarHBondContact N-O 2.91Å; S581-Y606 WeakPolarHBondContact CB-O 3.36Å; S581-H684 WeakPolarHBondContact O-CB 3.35Å; S581-R685 VanDerWaalsContact OG-CG 3.27Å; S581-R685 WeakPolarHBondContact OG-CG 3.27Å; S581-R685 PolarHBondContact OG-NE 3.42Å |
| 582 | C | 74.8 | Confident | 84.4 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 10% | 0.101 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -101.3 | -30.4 | -175.8 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | M579 L580 | M579-C582 HydrophobicContact CE-CB 4.29Å; M579-C582 WeakPolarHBondContact O-CA 3.25Å; M579-C582 WeakPolarHBondContact O-CB 3.38Å; M579-C582 PolarHBondContact O-N 3.13Å; L580-C582 PolarHBondContact O-N 2.82Å; L580-C582 VanDerWaalsContact O-N 3.1Å |
| 583 | L | 76.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -87.9 | -36.6 | -175.2 | -60.2 | 171.7 | 0 | 0 | 0 | 111.6 | W447 L467 P468 Y561 M579 L580 P585 | W447-L583 HydrophobicContact CD2-CB 4.13Å; W447-L583 HydrophobicContact CE3-CB 3.88Å; W447-L583 HydrophobicContact CH2-CB 3.5Å; W447-L583 HydrophobicContact CH2-CD1 4.17Å; W447-L583 HydrophobicContact CH2-CG 4.44Å; W447-L583 HydrophobicContact CZ2-CB 3.75Å; W447-L583 HydrophobicContact CZ2-CD1 3.58Å; W447-L583 HydrophobicContact CZ2-CG 4.22Å; W447-L583 HydrophobicContact CZ3-CB 3.58Å; L467-L583 HydrophobicContact CD2-CD1 4Å; P468-L583 HydrophobicContact CG-CD2 3.57Å; Y561-L583 WeakPolarHBondContact CB-O 3.14Å; Y561-L583 WeakPolarHBondContact CD2-O 3.35Å; M579-L583 HydrophobicContact CB-CD1 3.98Å; M579-L583 HydrophobicContact CB-CG 4.23Å; M579-L583 WeakPolarHBondContact O-CG 3.3Å; M579-L583 PolarHBondContact O-N 3.05Å; L580-L583 PolarHBondContact O-N 3.2Å; L583-P585 VanDerWaalsContact C-CD 3.48Å; L583-P585 WeakPolarHBondContact O-CD 3.41Å |
| 584 | A | 81.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -125 | 66.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | W447 L563 L580 G586 L587 P607 | W447-A584 HydrophobicContact CZ3-CB 4.26Å; L563-A584 HydrophobicContact CB-CB 3.92Å; L580-A584 HydrophobicContact CD2-CB 4.28Å; L580-A584 PolarHBondContact O-N 2.74Å; A584-G586 PolarHBondContact O-N 3.45Å; A584-G586 VanDerWaalsContact O-N 3.14Å; A584-L587 HydrophobicContact CB-CB 4.01Å; A584-L587 HydrophobicContact CB-CD1 4.34Å; A584-L587 WeakPolarHBondContact O-CB 3.3Å; A584-L587 PolarHBondContact O-N 2.96Å; A584-L587 VanDerWaalsContact O-N 3.11Å; A584-P607 VanDerWaalsContact O-CB 3.26Å; A584-P607 WeakPolarHBondContact O-CB 3.44Å; A584-P607 WeakPolarHBondContact O-CG 3.4Å | ||
| 585 | P | 79.9 | Confident | 84.8 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 16% | 0.156 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.9 | -175.9 | 26.2 | -34.1 | 0 | 0 | 0 | 113.6 | L560 L583 | L560-P585 HydrophobicContact CB-CG 4.04Å; L583-P585 VanDerWaalsContact C-CD 3.48Å; L583-P585 WeakPolarHBondContact O-CD 3.41Å |
| 586 | G | 80.3 | Confident | 85 | Confident | 43 Ų | 43 | 36.3 Ų | 36.3 | 44% | 0.443 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -1.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L563 A584 S588 | L563-G586 CarbonylContact O-C 3.53Å; L563-G586 VanDerWaalsContact O-C 3.32Å; A584-G586 PolarHBondContact O-N 3.45Å; A584-G586 VanDerWaalsContact O-N 3.14Å; G586-S588 PolarHBondContact O-N 3.22Å; G586-S588 VanDerWaalsContact O-N 3.15Å |
| 587 | L | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -62.4 | 118.2 | -172.4 | -159.3 | 78.7 | 0 | 0 | 0 | 111.4 | L563 L566 L580 A584 R589 L590 P607 G609 L610 | L563-L587 HydrophobicContact CB-CD1 4.2Å; L563-L587 HydrophobicContact CD2-CD1 4.07Å; L563-L587 HydrophobicContact CG-CD1 4.06Å; L563-L587 VanDerWaalsContact O-CA 3.22Å; L563-L587 WeakPolarHBondContact O-CA 3.36Å; L563-L587 PolarHBondContact O-N 3.25Å; L566-L587 HydrophobicContact CB-CD1 3.82Å; L566-L587 HydrophobicContact CB-CD2 4.24Å; L580-L587 HydrophobicContact CD2-CD2 4.2Å; A584-L587 HydrophobicContact CB-CB 4.01Å; A584-L587 HydrophobicContact CB-CD1 4.34Å; A584-L587 WeakPolarHBondContact O-CB 3.3Å; A584-L587 PolarHBondContact O-N 2.96Å; A584-L587 VanDerWaalsContact O-N 3.11Å; L587-R589 WeakPolarHBondContact CG-O 3.37Å; L587-L590 HydrophobicContact CD2-CB 3.96Å; L587-L590 HydrophobicContact CD2-CD1 4.32Å; L587-P607 HydrophobicContact CB-CG 3.65Å; L587-G609 CarbonylContact O-C 3.57Å; L587-G609 VanDerWaalsContact O-C 3.27Å; L587-L610 HydrophobicContact CD2-CD1 4.28Å; L587-L610 HydrophobicContact CG-CD1 4.44Å; L587-L610 WeakPolarHBondContact O-CA 3.35Å; L587-L610 PolarHBondContact O-N 2.91Å; L587-L610 VanDerWaalsContact O-N 3.09Å | ||
| 588 | S | 90.7 | Very high | 85.7 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 12% | 0.119 | 20% | 0.202 | C | C | . | . | trans | -101.4 | -21.7 | 177.9 | 75.4 | 0 | 0 | 0 | 0 | 113.7 | N564 G586 K611 H612 | N564-S588 PolarHBondContact O-N 3.16Å; N564-S588 PolarHBondContact O-OG 3.48Å; N564-S588 VanDerWaalsContact OD1-CB 3.27Å; N564-S588 WeakPolarHBondContact OD1-CB 3.43Å; N564-S588 PolarHBondContact OD1-OG 2.95Å; G586-S588 PolarHBondContact O-N 3.22Å; G586-S588 VanDerWaalsContact O-N 3.15Å; S588-K611 WeakPolarHBondContact O-CA 3.23Å; S588-K611 PolarHBondContact O-N 2.68Å; S588-H612 PolarHBondContact O-N 2.77Å | ||
| 589 | R | 93.1 | Very high | 86.4 | Confident | 140 Ų | 140 | 39.8 Ų | 39.8 | 53% | 0.528 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.3 | 174.2 | -49.4 | -171.9 | -164.2 | -142.3 | 6.8 | 111.6 | N564 L566 L587 H612 | N564-R589 PolarHBondContact O-N 3.37Å; L566-R589 PolarHBondContact N-O 3.41Å; L587-R589 WeakPolarHBondContact CG-O 3.37Å; R589-H612 HydrophobicContact CG-CB 4.42Å |
| 590 | L | 94 | Very high | 87 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.5 | 170.3 | 178.8 | 59.5 | 0 | 0 | 0 | 109.9 | L566 L580 L587 M592 Y606 L610 H612 L613 D614 | L566-L590 HydrophobicContact CB-CD1 4.16Å; L566-L590 HydrophobicContact CD2-CD1 4.09Å; L566-L590 HydrophobicContact CG-CD1 4.07Å; L566-L590 WeakPolarHBondContact O-CA 3.22Å; L580-L590 HydrophobicContact CD1-CD2 4Å; L587-L590 HydrophobicContact CD2-CB 3.96Å; L587-L590 HydrophobicContact CD2-CD1 4.32Å; L590-M592 HydrophobicContact CD1-CG 4.04Å; L590-M592 HydrophobicContact CG-CG 4.18Å; L590-Y606 HydrophobicContact CD2-CD1 4.2Å; L590-Y606 HydrophobicContact CD2-CE1 4.01Å; L590-L610 HydrophobicContact CB-CD1 3.8Å; L590-H612 PolarHBondContact N-O 3.34Å; L590-L613 HydrophobicContact CB-CD1 4.16Å; L590-L613 HydrophobicContact CD2-CD1 4.01Å; L590-L613 HydrophobicContact CG-CD1 4.14Å; L590-L613 WeakPolarHBondContact O-CA 3.35Å; L590-D614 PolarHBondContact O-N 2.93Å |
| 591 | N | 93.6 | Very high | 86.9 | Confident | 43 Ų | 43 | 36.6 Ų | 36.6 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.6 | 172.2 | -171.8 | -10.1 | 0 | 0 | 0 | 110.3 | L566 L568 S569 S593 D614 | L566-N591 PolarHBondContact O-N 2.84Å; L568-N591 CarbonylContact C-O 3.39Å; L568-N591 WeakPolarHBondContact CA-O 3.43Å; L568-N591 PolarHBondContact N-O 2.66Å; S569-N591 PolarHBondContact N-O 3.1Å; N591-S593 PolarHBondContact OD1-N 2.98Å; N591-S593 PolarHBondContact OD1-OG 3.33Å; N591-D614 PolarHBondContact OD1-OD2 3.3Å; N591-D614 VanDerWaalsContact OD1-OD2 3.14Å |
| 592 | M | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -130.5 | 28.1 | 170.7 | -55.4 | -164.7 | 69.8 | 0 | 0 | 112.1 | L568 F573 V576 P577 L590 N595 L597 D614 L615 N618 | L568-M592 HydrophobicContact CB-CE 4.41Å; L568-M592 HydrophobicContact CB-CG 4.25Å; L568-M592 HydrophobicContact CD1-CE 4.09Å; L568-M592 HydrophobicContact CD1-CG 4.49Å; L568-M592 HydrophobicContact CD1-SD 4.43Å; F573-M592 HydrophobicContact CB-CE 3.59Å; F573-M592 HydrophobicContact CD1-CE 3.84Å; F573-M592 HydrophobicContact CD2-CE 3.8Å; F573-M592 HydrophobicContact CE1-CE 4.46Å; F573-M592 HydrophobicContact CE2-CE 4.46Å; F573-M592 HydrophobicContact CG-CE 3.46Å; F573-M592 VanDerWaalsContact CG-CE 3.46Å; V576-M592 HydrophobicContact CG1-SD 4.35Å; V576-M592 HydrophobicContact CG2-SD 4.47Å; P577-M592 HydrophobicContact CG-CE 4.41Å; L590-M592 HydrophobicContact CD1-CG 4.04Å; L590-M592 HydrophobicContact CG-CG 4.18Å; M592-N595 PolarHBondContact O-ND2 3.05Å; M592-N595 VanDerWaalsContact O-ND2 3.08Å; M592-L597 HydrophobicContact CB-CD1 4.08Å; M592-L597 HydrophobicContact CE-CD2 4.48Å; M592-D614 PolarHBondContact N-O 3.44Å; M592-L615 HydrophobicContact CB-CD2 4Å; M592-N618 PolarHBondContact O-ND2 3.25Å | ||
| 593 | S | 94.4 | Very high | 87.2 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -63.4 | 155.9 | 175.5 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | S569 R570 N591 N595 D614 S616 | S569-S593 CarbonylContact C-O 3.55Å; S569-S593 VanDerWaalsContact CA-O 3.22Å; S569-S593 WeakPolarHBondContact CA-O 3.48Å; S569-S593 WeakPolarHBondContact CB-O 3.4Å; R570-S593 PolarHBondContact N-O 3.38Å; N591-S593 PolarHBondContact OD1-N 2.98Å; N591-S593 PolarHBondContact OD1-OG 3.33Å; S593-N595 PolarHBondContact O-N 3.1Å; S593-N595 PolarHBondContact O-ND2 3.32Å; S593-N595 VanDerWaalsContact O-ND2 3.15Å; S593-D614 WeakPolarHBondContact CB-OD2 3.47Å; S593-D614 PolarHBondContact N-O 2.98Å; S593-D614 PolarHBondContact OG-OD2 2.82Å; S593-S616 CarbonylContact C-O 3.16Å; S593-S616 WeakPolarHBondContact CA-O 3.41Å; S593-S616 WeakPolarHBondContact CB-O 3.32Å | ||
| 594 | Y | 94.7 | Very high | 87.2 | Confident | 136 Ų | 136 | 39.2 Ų | 39.2 | 53% | 0.533 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 54.9 | 49.5 | -178.9 | -56.3 | -83.9 | 0 | 0 | 0 | 113.2 | R570 S616 G617 | R570-Y594 WeakPolarHBondContact CA-O 3.33Å; Y594-S616 PolarHBondContact N-O 2.88Å; Y594-G617 WeakPolarHBondContact CA-O 3.3Å |
| 595 | N | 93.1 | Very high | 87.2 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -117.4 | -157.4 | 173.7 | -86.5 | -85.4 | 0 | 0 | 0 | 109.9 | L568 N571 R572 F573 M592 S593 L597 N618 | L568-N595 PolarHBondContact O-ND2 3.4Å; N571-N595 WeakPolarHBondContact CA-OD1 3.47Å; N571-N595 WeakPolarHBondContact CB-OD1 3.47Å; N571-N595 PolarHBondContact N-OD1 3.41Å; N571-N595 PolarHBondContact O-OD1 2.68Å; R572-N595 PolarHBondContact N-OD1 3.03Å; F573-N595 HydrophobicContact CB-CB 4.37Å; F573-N595 WeakPolarHBondContact CD2-OD1 3.39Å; F573-N595 PolarHBondContact N-OD1 3.34Å; M592-N595 PolarHBondContact O-ND2 3.05Å; M592-N595 VanDerWaalsContact O-ND2 3.08Å; S593-N595 PolarHBondContact O-N 3.1Å; S593-N595 PolarHBondContact O-ND2 3.32Å; S593-N595 VanDerWaalsContact O-ND2 3.15Å; N595-L597 HydrophobicContact CB-CG 4.32Å; N595-N618 VanDerWaalsContact CA-OD1 3.3Å; N595-N618 WeakPolarHBondContact CA-OD1 3.29Å; N595-N618 VanDerWaalsContact CB-OD1 3.22Å; N595-N618 WeakPolarHBondContact CB-OD1 3.22Å; N595-N618 PolarHBondContact N-OD1 3.24Å; N595-N618 PolarHBondContact O-OD1 3.24Å |
| 596 | L | 93 | Very high | 87.5 | Confident | 73 Ų | 73 | 38.5 Ų | 38.5 | 38% | 0.382 | 19% | 0.189 | S | C | . | . | trans | -117.8 | 20.9 | -177.6 | -60.9 | 175.1 | 0 | 0 | 0 | 112.7 | F573 E574 R598 N618 | F573-L596 CarbonylContact O-C 3.47Å; F573-L596 VanDerWaalsContact O-C 3.3Å; F573-L596 WeakPolarHBondContact O-CA 3.45Å; F573-L596 PolarHBondContact O-N 2.97Å; E574-L596 HydrophobicContact CG-CB 4.18Å; L596-R598 PolarHBondContact O-N 3.37Å; L596-N618 PolarHBondContact N-OD1 2.75Å | ||
| 597 | L | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -61.3 | 129.9 | -174.1 | -57.7 | 175.3 | 0 | 0 | 0 | 111.6 | F573 E574 S575 V576 M592 N595 L615 N618 K619 I620 | F573-L597 HydrophobicContact CB-CD2 4.24Å; F573-L597 PolarHBondContact O-N 3.04Å; E574-L597 WeakPolarHBondContact O-CA 3.36Å; S575-L597 VanDerWaalsContact CA-CD2 3.5Å; V576-L597 HydrophobicContact CG2-CD1 4.17Å; V576-L597 HydrophobicContact CG2-CD2 4.18Å; M592-L597 HydrophobicContact CB-CD1 4.08Å; M592-L597 HydrophobicContact CE-CD2 4.48Å; N595-L597 HydrophobicContact CB-CG 4.32Å; L597-L615 HydrophobicContact CD1-CD2 3.73Å; L597-N618 HydrophobicContact CB-CB 4.07Å; L597-N618 VanDerWaalsContact CB-OD1 3.3Å; L597-N618 WeakPolarHBondContact CB-OD1 3.3Å; L597-N618 VanDerWaalsContact CG-OD1 3.29Å; L597-N618 WeakPolarHBondContact CG-OD1 3.39Å; L597-N618 PolarHBondContact N-OD1 3.23Å; L597-K619 CarbonylContact O-C 3.07Å; L597-K619 WeakPolarHBondContact O-CA 3.34Å; L597-K619 PolarHBondContact O-N 3.28Å; L597-I620 HydrophobicContact CB-CD1 4.31Å; L597-I620 HydrophobicContact CB-CG1 4.08Å; L597-I620 PolarHBondContact O-N 2.83Å | ||
| 598 | R | 87.5 | Confident | 87.4 | Confident | 151 Ų | 151 | 37.2 Ų | 37.2 | 57% | 0.57 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -101.2 | -16.7 | -178.3 | -52.7 | -174.6 | -166.7 | 175.3 | 7.1 | 114.1 | E574 L596 I620 R621 | E574-R598 VanDerWaalsContact CD-NH2 3.28Å; E574-R598 IonicContact OE1-CZ 3.42Å; E574-R598 IonicContact OE1-NE 3.23Å; E574-R598 IonicContact OE1-NH2 3.6Å; E574-R598 PolarHBondContact OE1-NH2 3.46Å; E574-R598 IonicContact OE2-CZ 3.27Å; E574-R598 IonicContact OE2-NH2 3.05Å; E574-R598 PolarHBondContact OE2-NH2 3.44Å; L596-R598 PolarHBondContact O-N 3.37Å; R598-I620 WeakPolarHBondContact O-CA 3.4Å; R598-R621 PolarHBondContact O-N 2.95Å; R598-R621 VanDerWaalsContact O-N 3.1Å |
| 599 | E | 86.7 | Confident | 87.1 | Confident | 86 Ų | 86 | 37.5 Ų | 37.5 | 40% | 0.402 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -155.6 | 156.8 | 176.3 | 56.6 | -173.9 | -165.6 | 0 | 0 | 110.3 | G601 R622 | E599-G601 VanDerWaalsContact C-N 3.32Å; E599-R622 HydrophobicContact CB-CB 4.23Å |
| 600 | I | 85.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | trans | -71.4 | -30.8 | 177.2 | -55.9 | -176.8 | 0 | 0 | 0 | 111.2 | Y606 L615 I620 R622 F624 L699 | I600-Y606 HydrophobicContact CG2-CE2 4.01Å; I600-Y606 WeakPolarHBondContact CG2-OH 3.22Å; I600-Y606 PolarHBondContact O-OH 3.45Å; I600-L615 HydrophobicContact CG1-CD1 4.14Å; I600-L615 HydrophobicContact CG2-CD1 4.01Å; I600-I620 HydrophobicContact CD1-CG2 4.41Å; I600-I620 HydrophobicContact CG1-CD1 4.25Å; I600-I620 HydrophobicContact CG1-CG2 3.67Å; I600-R622 PolarHBondContact N-O 3.39Å; I600-F624 HydrophobicContact CB-CD1 4.48Å; I600-F624 HydrophobicContact CD1-CE2 4.36Å; I600-F624 HydrophobicContact CG2-CD1 3.53Å; I600-F624 HydrophobicContact CG2-CE1 3.39Å; I600-F624 HydrophobicContact CG2-CE2 4.44Å; I600-F624 HydrophobicContact CG2-CG 4.14Å; I600-F624 HydrophobicContact CG2-CZ 3.89Å; I600-L699 HydrophobicContact CD1-CD1 3.98Å; I600-L699 HydrophobicContact CD1-CD2 3.76Å; I600-L699 HydrophobicContact CG1-CD2 4.25Å | ||
| 601 | G | 78.9 | Confident | 86.9 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | trans | 79.9 | -173.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E599 F624 T625 | E599-G601 VanDerWaalsContact C-N 3.32Å; G601-F624 WeakPolarHBondContact O-CA 3.03Å; G601-T625 PolarHBondContact O-N 2.74Å | ||
| 602 | P | 77.4 | Confident | 86.9 | Confident | 46 Ų | 46 | 37 Ų | 37 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -70.3 | 141.9 | -173.3 | -22.4 | 34.4 | 0 | 0 | 0 | 113.8 | N604 T605 V627 | P602-N604 VanDerWaalsContact C-N 3.26Å; P602-N604 PolarHBondContact O-N 2.89Å; P602-T605 VanDerWaalsContact O-CB 3.26Å; P602-T605 WeakPolarHBondContact O-CB 3.27Å; P602-T605 PolarHBondContact O-N 3.25Å; P602-T605 PolarHBondContact O-OG1 2.9Å; P602-V627 HydrophobicContact CB-CG2 4.13Å |
| 603 | V | 79.6 | Confident | 86.9 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -52.2 | -43 | 178.5 | -174 | 0 | 0 | 0 | 0 | 111.9 | T605 Y606 F624 L691 V760 | V603-T605 PolarHBondContact O-N 2.67Å; V603-Y606 PolarHBondContact O-N 3.46Å; V603-Y606 VanDerWaalsContact O-N 3.1Å; V603-F624 HydrophobicContact CG2-CB 3.67Å; V603-F624 HydrophobicContact CG2-CD1 4.08Å; V603-F624 HydrophobicContact CG2-CG 4.07Å; V603-L691 HydrophobicContact CG1-CD1 4.41Å; V603-L691 HydrophobicContact CG1-CG 3.96Å; V603-V760 HydrophobicContact CG1-CG1 4.13Å; V603-V760 HydrophobicContact CG2-CG1 3.83Å |
| 604 | N | 76.4 | Confident | 86.9 | Confident | 29 Ų | 29 | 38 Ų | 38 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -74.3 | 10.6 | 179.7 | 74.9 | -7.3 | 0 | 0 | 0 | 114.5 | S581 P602 R685 | S581-N604 WeakPolarHBondContact CB-O 3.18Å; S581-N604 PolarHBondContact OG-O 3.36Å; S581-N604 VanDerWaalsContact OG-O 3.06Å; P602-N604 VanDerWaalsContact C-N 3.26Å; P602-N604 PolarHBondContact O-N 2.89Å; N604-R685 HydrophobicContact CB-CG 4.4Å; N604-R685 WeakPolarHBondContact O-CG 3.48Å; N604-R685 PolarHBondContact O-NE 2.92Å |
| 605 | T | 82.1 | Confident | 86.9 | Confident | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -82.6 | -25.2 | 165.2 | -40.3 | 0 | 0 | 0 | 0 | 111.3 | P577 L580 S581 P602 V603 | P577-T605 WeakPolarHBondContact O-CG2 3.45Å; L580-T605 WeakPolarHBondContact CB-O 3.49Å; S581-T605 WeakPolarHBondContact CB-O 3.25Å; S581-T605 PolarHBondContact N-O 2.91Å; P602-T605 VanDerWaalsContact O-CB 3.26Å; P602-T605 WeakPolarHBondContact O-CB 3.27Å; P602-T605 PolarHBondContact O-N 3.25Å; P602-T605 PolarHBondContact O-OG1 2.9Å; V603-T605 PolarHBondContact O-N 2.67Å |
| 606 | Y | 86.5 | Confident | 87 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -94.3 | 148.8 | -178.8 | -61 | -84.9 | 0 | 0 | 0 | 112.1 | V576 S581 L590 I600 V603 L610 L613 F624 L691 | V576-Y606 HydrophobicContact CG1-CE1 4.03Å; S581-Y606 WeakPolarHBondContact CB-O 3.36Å; L590-Y606 HydrophobicContact CD2-CD1 4.2Å; L590-Y606 HydrophobicContact CD2-CE1 4.01Å; I600-Y606 HydrophobicContact CG2-CE2 4.01Å; I600-Y606 WeakPolarHBondContact CG2-OH 3.22Å; I600-Y606 PolarHBondContact O-OH 3.45Å; V603-Y606 PolarHBondContact O-N 3.46Å; V603-Y606 VanDerWaalsContact O-N 3.1Å; Y606-L610 HydrophobicContact CD1-CD2 3.79Å; Y606-L610 HydrophobicContact CG-CD2 4.41Å; Y606-L613 HydrophobicContact CD1-CD2 4.19Å; Y606-L613 HydrophobicContact CE1-CD1 3.84Å; Y606-L613 HydrophobicContact CE1-CD2 3.66Å; Y606-L613 HydrophobicContact CE1-CG 4.44Å; Y606-F624 HydrophobicContact CD2-CE1 4.19Å; Y606-F624 HydrophobicContact CE2-CD1 4.22Å; Y606-F624 AromaticContact CE2-CE1 3.84Å; Y606-F624 HydrophobicContact CE2-CE1 3.84Å; Y606-L691 HydrophobicContact CD2-CD1 4.32Å; Y606-L691 HydrophobicContact CG-CD1 4.25Å |
| 607 | P | 84.8 | Confident | 87 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -78.7 | 141.4 | 171.9 | 29.9 | -29.9 | 0 | 0 | 0 | 110.9 | A584 L587 G609 L610 | A584-P607 VanDerWaalsContact O-CB 3.26Å; A584-P607 WeakPolarHBondContact O-CB 3.44Å; A584-P607 WeakPolarHBondContact O-CG 3.4Å; L587-P607 HydrophobicContact CB-CG 3.65Å; P607-G609 PolarHBondContact O-N 3.07Å; P607-L610 WeakPolarHBondContact O-CB 3.42Å; P607-L610 PolarHBondContact O-N 3.32Å; P607-L610 VanDerWaalsContact O-N 3.15Å | ||
| 608 | A | 80.6 | Confident | 87.2 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 13% | 0.132 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -5.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L610 R688 N693 | A608-L610 PolarHBondContact O-N 3.12Å; A608-R688 VanDerWaalsContact CB-CZ 3.43Å; A608-N693 WeakPolarHBondContact O-CB 3.47Å; A608-N693 PolarHBondContact O-ND2 3.3Å |
| 609 | G | 83.3 | Confident | 87.4 | Confident | 22 Ų | 22 | 29 Ų | 29 | 23% | 0.227 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L587 P607 K611 | L587-G609 CarbonylContact O-C 3.57Å; L587-G609 VanDerWaalsContact O-C 3.27Å; P607-G609 PolarHBondContact O-N 3.07Å; G609-K611 PolarHBondContact O-N 3.11Å |
| 610 | L | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -65.5 | 120.4 | -172.3 | -163.8 | 71 | 0 | 0 | 0 | 112.1 | L587 L590 Y606 P607 A608 H612 L613 N693 L694 | L587-L610 HydrophobicContact CD2-CD1 4.28Å; L587-L610 HydrophobicContact CG-CD1 4.44Å; L587-L610 WeakPolarHBondContact O-CA 3.35Å; L587-L610 PolarHBondContact O-N 2.91Å; L587-L610 VanDerWaalsContact O-N 3.09Å; L590-L610 HydrophobicContact CB-CD1 3.8Å; Y606-L610 HydrophobicContact CD1-CD2 3.79Å; Y606-L610 HydrophobicContact CG-CD2 4.41Å; P607-L610 WeakPolarHBondContact O-CB 3.42Å; P607-L610 PolarHBondContact O-N 3.32Å; P607-L610 VanDerWaalsContact O-N 3.15Å; A608-L610 PolarHBondContact O-N 3.12Å; L610-H612 WeakPolarHBondContact CD1-O 3.35Å; L610-L613 HydrophobicContact CD2-CB 4.06Å; L610-L613 HydrophobicContact CD2-CD1 4.34Å; L610-L613 HydrophobicContact CD2-CD2 4.22Å; L610-L613 HydrophobicContact CD2-CG 4.44Å; L610-N693 CarbonylContact O-C 3.59Å; L610-N693 VanDerWaalsContact O-C 3.25Å; L610-L694 HydrophobicContact CD2-CD1 4.38Å; L610-L694 HydrophobicContact CG-CD1 4.29Å; L610-L694 VanDerWaalsContact O-CA 3.23Å; L610-L694 WeakPolarHBondContact O-CA 3.31Å; L610-L694 PolarHBondContact O-N 3.1Å; L610-L694 VanDerWaalsContact O-N 3.14Å | ||
| 611 | K | 92.6 | Very high | 87.5 | Confident | 106 Ų | 106 | 32 Ų | 32 | 46% | 0.461 | 16% | 0.164 | S | C | . | . | trans | -105.1 | -38.4 | -179.2 | -65.3 | 172.8 | -173.2 | 174.3 | 0 | 112.1 | S588 G609 N693 R695 T696 | S588-K611 WeakPolarHBondContact O-CA 3.23Å; S588-K611 PolarHBondContact O-N 2.68Å; G609-K611 PolarHBondContact O-N 3.11Å; K611-N693 WeakPolarHBondContact CA-O 3.28Å; K611-N693 HydrophobicContact CG-CB 4.26Å; K611-R695 PolarHBondContact O-N 2.56Å; K611-T696 PolarHBondContact O-N 2.76Å | ||
| 612 | H | 94.3 | Very high | 87.4 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 32% | 0.324 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.8 | 174.7 | -87.4 | -117.4 | 0 | 0 | 0 | 111.2 | S588 R589 L590 L610 T696 | S588-H612 PolarHBondContact O-N 2.77Å; R589-H612 HydrophobicContact CG-CB 4.42Å; L590-H612 PolarHBondContact N-O 3.34Å; L610-H612 WeakPolarHBondContact CD1-O 3.35Å; H612-T696 PolarHBondContact CE1-OG1 2.9Å; H612-T696 VanDerWaalsContact CE1-OG1 3.26Å; H612-T696 PolarHBondContact NE2-OG1 3.22Å; H612-T696 VanDerWaalsContact NE2-OG1 3.15Å |
| 613 | L | 94.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 114.4 | 171.5 | 179.4 | 54.3 | 0 | 0 | 0 | 110 | L590 Y606 L610 L615 L694 T696 L697 L698 | L590-L613 HydrophobicContact CB-CD1 4.16Å; L590-L613 HydrophobicContact CD2-CD1 4.01Å; L590-L613 HydrophobicContact CG-CD1 4.14Å; L590-L613 WeakPolarHBondContact O-CA 3.35Å; Y606-L613 HydrophobicContact CD1-CD2 4.19Å; Y606-L613 HydrophobicContact CE1-CD1 3.84Å; Y606-L613 HydrophobicContact CE1-CD2 3.66Å; Y606-L613 HydrophobicContact CE1-CG 4.44Å; L610-L613 HydrophobicContact CD2-CB 4.06Å; L610-L613 HydrophobicContact CD2-CD1 4.34Å; L610-L613 HydrophobicContact CD2-CD2 4.22Å; L610-L613 HydrophobicContact CD2-CG 4.44Å; L613-L615 HydrophobicContact CD1-CD1 4.32Å; L613-L615 HydrophobicContact CD1-CD2 3.89Å; L613-L615 HydrophobicContact CD1-CG 3.94Å; L613-L615 HydrophobicContact CD2-CD1 4.16Å; L613-L615 HydrophobicContact CG-CD1 4.15Å; L613-L615 HydrophobicContact CG-CG 4.02Å; L613-L694 HydrophobicContact CB-CD1 3.88Å; L613-T696 PolarHBondContact N-O 2.86Å; L613-L697 HydrophobicContact CB-CD1 4.19Å; L613-L697 HydrophobicContact CD2-CD1 3.98Å; L613-L697 HydrophobicContact CG-CD1 4.04Å; L613-L697 WeakPolarHBondContact O-CA 3.37Å; L613-L698 PolarHBondContact O-N 3.43Å |
| 614 | D | 94.5 | Very high | 87 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.7 | 173.7 | 179.3 | 20.5 | 0 | 0 | 0 | 110.9 | L590 N591 M592 S593 S616 L698 | L590-D614 PolarHBondContact O-N 2.93Å; N591-D614 PolarHBondContact OD1-OD2 3.3Å; N591-D614 VanDerWaalsContact OD1-OD2 3.14Å; M592-D614 PolarHBondContact N-O 3.44Å; S593-D614 WeakPolarHBondContact CB-OD2 3.47Å; S593-D614 PolarHBondContact N-O 2.98Å; S593-D614 PolarHBondContact OG-OD2 2.82Å; D614-S616 VanDerWaalsContact OD1-CB 3.24Å; D614-S616 WeakPolarHBondContact OD1-CB 3.23Å; D614-S616 PolarHBondContact OD1-N 3.1Å; D614-S616 PolarHBondContact OD1-OG 2.7Å; D614-L698 HydrophobicContact CB-CB 4.39Å; D614-L698 HydrophobicContact CB-CD1 4.3Å |
| 615 | L | 94.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -127.8 | 19.1 | 178.8 | -58.8 | 177.8 | 0 | 0 | 0 | 111.4 | M592 L597 I600 L613 N618 I620 L698 L699 N702 | M592-L615 HydrophobicContact CB-CD2 4Å; L597-L615 HydrophobicContact CD1-CD2 3.73Å; I600-L615 HydrophobicContact CG1-CD1 4.14Å; I600-L615 HydrophobicContact CG2-CD1 4.01Å; L613-L615 HydrophobicContact CD1-CD1 4.32Å; L613-L615 HydrophobicContact CD1-CD2 3.89Å; L613-L615 HydrophobicContact CD1-CG 3.94Å; L613-L615 HydrophobicContact CD2-CD1 4.16Å; L613-L615 HydrophobicContact CG-CD1 4.15Å; L613-L615 HydrophobicContact CG-CG 4.02Å; L615-N618 PolarHBondContact O-ND2 3.07Å; L615-I620 HydrophobicContact CB-CD1 3.8Å; L615-I620 HydrophobicContact CD1-CD1 4.16Å; L615-L698 PolarHBondContact N-O 2.75Å; L615-L699 HydrophobicContact CB-CD2 3.95Å; L615-L699 HydrophobicContact CD1-CD2 4.13Å; L615-N702 PolarHBondContact O-ND2 3.21Å; L615-N702 VanDerWaalsContact O-ND2 3.09Å | ||
| 616 | S | 94.2 | Very high | 84.4 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | trans | -63.9 | 152.4 | -175.2 | -49.1 | 0 | 0 | 0 | 0 | 112.9 | S593 Y594 D614 N618 L698 A700 | S593-S616 CarbonylContact C-O 3.16Å; S593-S616 WeakPolarHBondContact CA-O 3.41Å; S593-S616 WeakPolarHBondContact CB-O 3.32Å; Y594-S616 PolarHBondContact N-O 2.88Å; D614-S616 VanDerWaalsContact OD1-CB 3.24Å; D614-S616 WeakPolarHBondContact OD1-CB 3.23Å; D614-S616 PolarHBondContact OD1-N 3.1Å; D614-S616 PolarHBondContact OD1-OG 2.7Å; S616-N618 PolarHBondContact O-N 2.89Å; S616-N618 PolarHBondContact O-ND2 3.23Å; S616-L698 PolarHBondContact N-O 2.86Å; S616-L698 WeakPolarHBondContact OG-CB 3.21Å; S616-A700 CarbonylContact C-O 3.25Å; S616-A700 VanDerWaalsContact CA-O 3.27Å; S616-A700 WeakPolarHBondContact CA-O 3.37Å | ||
| 617 | G | 93.5 | Very high | 82.4 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 66 | 37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y594 A700 D701 | Y594-G617 WeakPolarHBondContact CA-O 3.3Å; G617-A700 PolarHBondContact N-O 3.23Å; G617-D701 CarbonylContact C-O 3.48Å; G617-D701 VanDerWaalsContact CA-O 3.25Å; G617-D701 WeakPolarHBondContact CA-O 3.28Å; G617-D701 PolarHBondContact N-O 2.68Å |
| 618 | N | 93.3 | Very high | 80 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -113.4 | -156 | 179 | -84.8 | -82.4 | 0 | 0 | 0 | 109.9 | M592 N595 L596 L597 L615 S616 I620 D701 N702 | M592-N618 PolarHBondContact O-ND2 3.25Å; N595-N618 VanDerWaalsContact CA-OD1 3.3Å; N595-N618 WeakPolarHBondContact CA-OD1 3.29Å; N595-N618 VanDerWaalsContact CB-OD1 3.22Å; N595-N618 WeakPolarHBondContact CB-OD1 3.22Å; N595-N618 PolarHBondContact N-OD1 3.24Å; N595-N618 PolarHBondContact O-OD1 3.24Å; L596-N618 PolarHBondContact N-OD1 2.75Å; L597-N618 HydrophobicContact CB-CB 4.07Å; L597-N618 VanDerWaalsContact CB-OD1 3.3Å; L597-N618 WeakPolarHBondContact CB-OD1 3.3Å; L597-N618 VanDerWaalsContact CG-OD1 3.29Å; L597-N618 WeakPolarHBondContact CG-OD1 3.39Å; L597-N618 PolarHBondContact N-OD1 3.23Å; L615-N618 PolarHBondContact O-ND2 3.07Å; S616-N618 PolarHBondContact O-N 2.89Å; S616-N618 PolarHBondContact O-ND2 3.23Å; N618-I620 HydrophobicContact CB-CD1 4.12Å; N618-I620 HydrophobicContact CB-CG1 4.02Å; N618-D701 PolarHBondContact N-O 3.43Å; N618-N702 WeakPolarHBondContact CA-OD1 3.41Å; N618-N702 VanDerWaalsContact CB-OD1 3.23Å; N618-N702 WeakPolarHBondContact CB-OD1 3.36Å |
| 619 | K | 92.2 | Very high | 77.6 | Confident | 138 Ų | 138 | 59.7 Ų | 59.7 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | trans | -128.4 | 33.5 | 176.7 | -62 | -166.7 | 177.4 | -174.7 | 0 | 112.2 | L597 R621 N702 | L597-K619 CarbonylContact O-C 3.07Å; L597-K619 WeakPolarHBondContact O-CA 3.34Å; L597-K619 PolarHBondContact O-N 3.28Å; K619-R621 PolarHBondContact O-N 2.83Å; K619-N702 PolarHBondContact N-OD1 3.31Å | ||
| 620 | I | 89.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -69.1 | 119.3 | -172.9 | -61.8 | 171.1 | 0 | 0 | 0 | 109.8 | L597 R598 I600 L615 N618 R622 L699 N702 C703 L704 | L597-I620 HydrophobicContact CB-CD1 4.31Å; L597-I620 HydrophobicContact CB-CG1 4.08Å; L597-I620 PolarHBondContact O-N 2.83Å; R598-I620 WeakPolarHBondContact O-CA 3.4Å; I600-I620 HydrophobicContact CD1-CG2 4.41Å; I600-I620 HydrophobicContact CG1-CD1 4.25Å; I600-I620 HydrophobicContact CG1-CG2 3.67Å; L615-I620 HydrophobicContact CB-CD1 3.8Å; L615-I620 HydrophobicContact CD1-CD1 4.16Å; N618-I620 HydrophobicContact CB-CD1 4.12Å; N618-I620 HydrophobicContact CB-CG1 4.02Å; I620-R622 WeakPolarHBondContact CG2-O 3.28Å; I620-L699 HydrophobicContact CD1-CD2 4.01Å; I620-N702 HydrophobicContact CB-CB 4.37Å; I620-N702 WeakPolarHBondContact CB-OD1 3.28Å; I620-N702 VanDerWaalsContact CG1-OD1 3.32Å; I620-N702 WeakPolarHBondContact CG1-OD1 3.47Å; I620-N702 PolarHBondContact N-OD1 3.19Å; I620-C703 CarbonylContact O-C 3.49Å; I620-C703 VanDerWaalsContact O-CA 3.31Å; I620-C703 WeakPolarHBondContact O-CA 3.33Å; I620-C703 PolarHBondContact O-N 3.34Å; I620-L704 HydrophobicContact CG2-CD2 3.76Å; I620-L704 PolarHBondContact O-N 3.49Å | ||
| 621 | R | 86.2 | Confident | 72 | Confident | 150 Ų | 150 | 69.3 Ų | 69.3 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | trans | -99.3 | -27 | 170.6 | -77.4 | -160 | 175 | -141.8 | 3.7 | 114.4 | R598 K619 C703 E705 | R598-R621 PolarHBondContact O-N 2.95Å; R598-R621 VanDerWaalsContact O-N 3.1Å; K619-R621 PolarHBondContact O-N 2.83Å; R621-C703 HydrophobicContact CG-CB 3.64Å; R621-E705 IonicContact CZ-OE1 3.23Å; R621-E705 IonicContact NE-OE1 2.7Å; R621-E705 IonicContact NH1-OE1 3.69Å; R621-E705 PolarHBondContact NH1-OE1 3.27Å | ||
| 622 | R | 75.3 | Confident | 68.8 | Low | 171 Ų | 171 | 70.1 Ų | 70.1 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -119.1 | 136 | -172.4 | -70.6 | -179.6 | 176.7 | 148.4 | -2.4 | 112.1 | E599 I600 I620 | E599-R622 HydrophobicContact CB-CB 4.23Å; I600-R622 PolarHBondContact N-O 3.39Å; I620-R622 WeakPolarHBondContact CG2-O 3.28Å |
| 623 | W | 78 | Confident | 65.4 | Low | 14 Ų | 14 | 73.7 Ų | 73.7 | 5% | 0.053 | 40% | 0.398 | C | S | . | . | trans | -67.3 | 178.4 | 167.5 | -75.6 | 74.5 | 0 | 0 | 0 | 111.7 | T625 L697 L699 L704 G706 I707 V708 F761 L767 V769 | W623-T625 PolarHBondContact O-N 3.18Å; W623-L697 HydrophobicContact CZ3-CD2 4.27Å; W623-L699 HydrophobicContact CH2-CD1 4.29Å; W623-L699 HydrophobicContact CZ2-CD1 4.42Å; W623-L704 HydrophobicContact CZ2-CD1 4.4Å; W623-G706 PolarHBondContact NE1-O 3.3Å; W623-I707 HydrophobicContact CH2-CG2 4.09Å; W623-I707 HydrophobicContact CZ2-CB 4.15Å; W623-I707 HydrophobicContact CZ2-CG1 4.09Å; W623-I707 HydrophobicContact CZ2-CG2 3.95Å; W623-V708 HydrophobicContact CB-CB 3.78Å; W623-V708 HydrophobicContact CB-CG1 4.48Å; W623-V708 HydrophobicContact CB-CG2 3.91Å; W623-V708 HydrophobicContact CD2-CB 4.06Å; W623-V708 HydrophobicContact CE3-CB 4.31Å; W623-V708 HydrophobicContact CG-CB 3.82Å; W623-V708 HydrophobicContact CG-CG2 3.96Å; W623-V708 WeakPolarHBondContact CZ3-O 3.19Å; W623-F761 HydrophobicContact CE3-CE1 4.46Å; W623-F761 HydrophobicContact CE3-CZ 4.35Å; W623-F761 HydrophobicContact CZ3-CE1 4.09Å; W623-F761 AromaticContact CZ3-CZ 3.67Å; W623-F761 HydrophobicContact CZ3-CZ 3.67Å; W623-L767 HydrophobicContact CH2-CD1 4.25Å; W623-L767 HydrophobicContact CH2-CD2 4.34Å; W623-V769 HydrophobicContact CZ2-CG1 4.17Å | ||
| 624 | F | 71.3 | Confident | 62.1 | Low | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -47.8 | 128 | 178.8 | -57 | -87.3 | 0 | 0 | 0 | 112.9 | I600 G601 V603 Y606 L691 L697 F761 | I600-F624 HydrophobicContact CB-CD1 4.48Å; I600-F624 HydrophobicContact CD1-CE2 4.36Å; I600-F624 HydrophobicContact CG2-CD1 3.53Å; I600-F624 HydrophobicContact CG2-CE1 3.39Å; I600-F624 HydrophobicContact CG2-CE2 4.44Å; I600-F624 HydrophobicContact CG2-CG 4.14Å; I600-F624 HydrophobicContact CG2-CZ 3.89Å; G601-F624 WeakPolarHBondContact O-CA 3.03Å; V603-F624 HydrophobicContact CG2-CB 3.67Å; V603-F624 HydrophobicContact CG2-CD1 4.08Å; V603-F624 HydrophobicContact CG2-CG 4.07Å; Y606-F624 HydrophobicContact CD2-CE1 4.19Å; Y606-F624 HydrophobicContact CE2-CD1 4.22Å; Y606-F624 AromaticContact CE2-CE1 3.84Å; Y606-F624 HydrophobicContact CE2-CE1 3.84Å; F624-L691 HydrophobicContact CE1-CD1 4.15Å; F624-L691 HydrophobicContact CZ-CD1 4.48Å; F624-L697 HydrophobicContact CE2-CD2 4.25Å; F624-L697 HydrophobicContact CZ-CD2 4.47Å; F624-F761 HydrophobicContact CD2-CE1 4.05Å; F624-F761 AromaticContact CE2-CD1 3.99Å; F624-F761 HydrophobicContact CE2-CD1 3.99Å; F624-F761 AromaticContact CE2-CE1 3.71Å; F624-F761 HydrophobicContact CE2-CE1 3.71Å |
| 625 | T | 58 | Low | 58.8 | Low | 60 Ų | 60 | 83.8 Ų | 83.8 | 37% | 0.368 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -84.4 | 125.7 | 178.1 | -6.2 | 0 | 0 | 0 | 0 | 110.5 | G601 W623 | G601-T625 PolarHBondContact O-N 2.74Å; W623-T625 PolarHBondContact O-N 3.18Å |
| 626 | A | 45.9 | Very low | 55.6 | Low | 40 Ų | 40 | 94 Ų | 94 | 33% | 0.331 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 135.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L628 L711 L714 | A626-L628 VanDerWaalsContact C-N 3.31Å; A626-L628 PolarHBondContact O-N 3.32Å; A626-L711 HydrophobicContact CB-CD2 3.75Å; A626-L714 HydrophobicContact CB-CD1 3.67Å |
| 627 | V | 45.3 | Very low | 52.6 | Low | 93 Ų | 93 | 98.5 Ų | 98.5 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | trans | -78.2 | 86.7 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | P602 | P602-V627 HydrophobicContact CB-CG2 4.13Š| ||
| 628 | L | 33.8 | Very low | 50 | Low | 152 Ų | 152 | 102.1 Ų | 102.1 | 80% | 0.796 | 56% | 0.555 | S | S | * | * | trans | -53.2 | 142 | 156.9 | -73.1 | 167.2 | 0 | 0 | 0 | 108.5 | A626 | A626-L628 VanDerWaalsContact C-N 3.31Å; A626-L628 PolarHBondContact O-N 3.32Å | ||
| 629 | H | 30 | Very low | 46.6 | Very low | 159 Ų | 159 | 110.3 Ų | 110.3 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | trans | -48.2 | 140.6 | -178.2 | -70.3 | -95.4 | 0 | 0 | 0 | 111.3 | T631 | H629-T631 VanDerWaalsContact C-N 3.27Å; H629-T631 PolarHBondContact O-N 3.15Å; H629-T631 PolarHBondContact O-OG1 2.73Å | ||
| 630 | P | 30.1 | Very low | 43.4 | Very low | 106 Ų | 106 | 108.7 Ų | 108.7 | 69% | 0.688 | 61% | 0.605 | S | S | * | * | trans | -69.9 | 80.9 | -176.4 | 28.7 | -35.7 | 0 | 0 | 0 | 111.7 | I679 | P630-I679 HydrophobicContact CG-CD1 4.12Š| ||
| 631 | T | 25.2 | Very low | 40.3 | Very low | 118 Ų | 118 | 112 Ų | 112 | 72% | 0.724 | 64% | 0.639 | S | S | * | * | trans | -99.4 | 112.5 | 179.1 | 44.4 | 0 | 0 | 0 | 0 | 110.4 | H629 T633 | H629-T631 VanDerWaalsContact C-N 3.27Å; H629-T631 PolarHBondContact O-N 3.15Å; H629-T631 PolarHBondContact O-OG1 2.73Å; T631-T633 PolarHBondContact O-N 3.04Å | ||
| 632 | S | 24.4 | Very low | 37.3 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | trans | -27.3 | 103.9 | -177 | -55.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 633 | T | 24.1 | Very low | 35.2 | Very low | 145 Ų | 145 | 114 Ų | 114 | 89% | 0.89 | 66% | 0.664 | S | S | * | * | trans | -172.1 | 155.6 | 140.5 | 15.3 | 0 | 0 | 0 | 0 | 109.1 | T631 | T631-T633 PolarHBondContact O-N 3.04Š| ||
| 634 | A | 25.5 | Very low | 33.2 | Very low | 91 Ų | 91 | 119 Ų | 119 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | cis | -132.7 | 158.7 | 4.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 635 | L | 23.9 | Very low | 30.9 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | trans | -84.5 | 126.8 | 165.1 | -74.6 | 154.8 | 0 | 0 | 0 | 109.4 | ||||
| 636 | F | 27.9 | Very low | 29.3 | Very low | 213 Ų | 213 | 133.6 Ų | 133.6 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | trans | -146.4 | 140 | 136 | -99.8 | -73.6 | 0 | 0 | 0 | 109 | ||||
| 637 | T | 31.4 | Very low | 28.2 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -135.5 | -179.7 | -165.9 | 51.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 638 | P | 37.7 | Very low | 27.2 | Very low | 94 Ų | 94 | 138 Ų | 138 | 61% | 0.61 | 80% | 0.798 | S | S | * | * | cis | -151.3 | -174.8 | 26.1 | 44 | -21.4 | 0 | 0 | 0 | 119.9 | ||||
| 639 | H | 23.6 | Very low | 26.8 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 77.5 | 120.6 | 171.9 | -48.7 | -36.3 | 0 | 0 | 0 | 115 | ||||
| 640 | A | 25 | Very low | 26.8 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | cis | -152.4 | 164.7 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 641 | G | 23.5 | Very low | 26.7 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | cis | 158.3 | 63 | -7.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 642 | R | 23.6 | Very low | 26.5 | Very low | 253 Ų | 253 | 143.1 Ų | 143.1 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | trans | -173.3 | 155.3 | 152.9 | -105.7 | 164.7 | -167.7 | -152.7 | 2.8 | 112.5 | ||||
| 643 | S | 30.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -163.1 | -169.8 | 177.5 | 64 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 644 | P | 35.9 | Very low | 26.4 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | -134.1 | 179.9 | -13.6 | 42.6 | -27.6 | 0 | 0 | 0 | 114 | ||||
| 645 | S | 22.7 | Very low | 26.2 | Very low | 125 Ų | 125 | 147 Ų | 147 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -170.8 | 170.8 | 141.8 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 646 | R | 25.1 | Very low | 26.2 | Very low | 249 Ų | 249 | 150.8 Ų | 150.8 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | trans | -118.1 | 151 | -179.9 | -68.5 | 171.6 | 167.4 | 172.5 | -6.6 | 111.1 | ||||
| 647 | S | 22.4 | Very low | 26 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -155.5 | 166.2 | 135.2 | 70.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 648 | S | 25.8 | Very low | 25.6 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -156.9 | 130.7 | -175.6 | 56 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 649 | Y | 23.6 | Very low | 24.9 | Very low | 242 Ų | 242 | 148 Ų | 148 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | -148.4 | 154.7 | 167.1 | -92.1 | -71.8 | 0 | 0 | 0 | 112.8 | ||||
| 650 | S | 30.4 | Very low | 25.1 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -128 | 169.8 | 171.8 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 651 | P | 27.3 | Very low | 25 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -139.9 | 176 | 140.5 | 35.3 | -20.3 | 0 | 0 | 0 | 114.8 | ||||
| 652 | L | 21.5 | Very low | 25 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -123.4 | 162.6 | 179.5 | -83.9 | 150 | 0 | 0 | 0 | 110.1 | ||||
| 653 | S | 23.1 | Very low | 25 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 75.1 | 152.3 | 169 | -132.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 654 | S | 23.4 | Very low | 24.7 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | cis | -152.9 | 147.6 | 9.5 | 88.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 655 | R | 22.5 | Very low | 24.1 | Very low | 226 Ų | 226 | 153.6 Ų | 153.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 55.8 | 138.8 | 138.9 | -74 | -178.1 | 169.2 | 179.8 | -2.6 | 124.2 | ||||
| 656 | R | 22.5 | Very low | 24.1 | Very low | 227 Ų | 227 | 156.1 Ų | 156.1 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | 90.2 | 99.9 | 151.1 | -76.9 | 178.3 | 174.5 | 177.2 | -2.7 | 120.7 | ||||
| 657 | S | 24.1 | Very low | 23.9 | Very low | 86 Ų | 86 | 151.3 Ų | 151.3 | 60% | 0.601 | 80% | 0.8 | S | S | * | * | 16 | 139.7 | 119 | 54 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 658 | H | 24.1 | Very low | 24 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | -145.6 | 176.4 | 56.7 | -93.3 | -93.4 | 0 | 0 | 0 | 116.7 | |||||
| 659 | S | 23 | Very low | 23.9 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -17.8 | 149.1 | 165.3 | 45.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 660 | V | 26.2 | Very low | 23.8 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | -138.1 | 143.2 | 53.4 | 168.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 661 | S | 23.4 | Very low | 23.5 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -77 | 147.6 | 167.7 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 662 | R | 23.6 | Very low | 23.4 | Very low | 237 Ų | 237 | 149 Ų | 149 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | -157.9 | 120.8 | 76.5 | -76.6 | 166.4 | -170.1 | 171.6 | 4.1 | 111.6 | |||||
| 663 | L | 23.8 | Very low | 23.4 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -159 | 126 | 132.2 | -112.8 | 170.8 | 0 | 0 | 0 | 109.3 | ||||
| 664 | S | 23.9 | Very low | 23.5 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -160.4 | 146.6 | -178.6 | 80.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 665 | R | 23.3 | Very low | 23.6 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | cis | -144.5 | 147.8 | 15.2 | -55.3 | 164.7 | -176.3 | 150.7 | 0.8 | 109.9 | ||||
| 666 | L | 22.9 | Very low | 23.7 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -133 | 115.7 | 139 | -94 | 175 | 0 | 0 | 0 | 108.1 | ||||
| 667 | N | 21.9 | Very low | 23.9 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 127 | 176.7 | -87 | -2.9 | 0 | 0 | 0 | 109.8 | ||||
| 668 | V | 24.1 | Very low | 24.1 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -125.8 | 130.2 | 144.9 | -178.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 669 | G | 23.2 | Very low | 24.6 | Very low | 63 Ų | 63 | 146.2 Ų | 146.2 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | trans | -95.1 | 141.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 670 | S | 21.8 | Very low | 25.2 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | 28.3 | 104.4 | 138.4 | -175.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 671 | V | 24.7 | Very low | 25.9 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | trans | -125.7 | 158 | 145.5 | -178 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 672 | E | 23.7 | Very low | 27.2 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -90.1 | -175.2 | -147.5 | -59.2 | 178.7 | 121.9 | 0 | 0 | 116.1 | ||||
| 673 | H | 23 | Very low | 28.7 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -86.4 | 145.2 | -176.2 | -67.4 | -4 | 0 | 0 | 0 | 113.9 | ||||
| 674 | G | 24.4 | Very low | 30.5 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | 149.4 | 130.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 675 | D | 24.9 | Very low | 32.2 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | cis | -147.8 | 164.4 | 2.6 | -145.7 | -22.8 | 0 | 0 | 0 | 111.6 | F677 | D675-F677 PolarHBondContact O-N 2.79Š| ||
| 676 | H | 25.2 | Very low | 33.3 | Very low | 179 Ų | 179 | 125.3 Ų | 125.3 | 83% | 0.829 | 70% | 0.702 | S | S | * | * | trans | -80.4 | 92.3 | -170 | -84.7 | -93.8 | 0 | 0 | 0 | 114.6 | ||||
| 677 | F | 27.4 | Very low | 34.7 | Very low | 202 Ų | 202 | 124.8 Ų | 124.8 | 89% | 0.886 | 70% | 0.7 | S | S | * | * | trans | -148.1 | 62.9 | 158.3 | -98.2 | -67.9 | 0 | 0 | 0 | 114.1 | D675 I679 | D675-F677 PolarHBondContact O-N 2.79Å; F677-I679 PolarHBondContact O-N 2.89Å | ||
| 678 | A | 27.3 | Very low | 36.5 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 83% | 0.826 | 68% | 0.676 | S | S | * | * | trans | -73.8 | 90.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 679 | I | 34.2 | Very low | 38.4 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 60% | 0.595 | 65% | 0.65 | S | S | * | * | trans | -60.6 | 146 | 154 | -64.7 | 172.9 | 0 | 0 | 0 | 107.4 | P630 F677 V681 | P630-I679 HydrophobicContact CG-CD1 4.12Å; F677-I679 PolarHBondContact O-N 2.89Å; I679-V681 HydrophobicContact CB-CG2 4.35Å; I679-V681 HydrophobicContact CG2-CG2 4.15Å; I679-V681 PolarHBondContact O-N 3.06Å | ||
| 680 | N | 36.1 | Very low | 41.1 | Very low | 172 Ų | 172 | 115.8 Ų | 115.8 | 92% | 0.92 | 63% | 0.627 | S | S | * | * | trans | -66.9 | 67.9 | 177.5 | -78.4 | -7.6 | 0 | 0 | 0 | 112.7 | ||||
| 681 | V | 41.4 | Very low | 44 | Very low | 69 Ų | 69 | 110.3 Ų | 110.3 | 42% | 0.418 | 59% | 0.588 | S | S | . | * | trans | -91.2 | 120.3 | 169.1 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | I679 R685 | I679-V681 HydrophobicContact CB-CG2 4.35Å; I679-V681 HydrophobicContact CG2-CG2 4.15Å; I679-V681 PolarHBondContact O-N 3.06Å; V681-R685 HydrophobicContact CG1-CB 3.39Å | ||
| 682 | C | 49.8 | Very low | 46.7 | Very low | 55 Ų | 55 | 108.4 Ų | 108.4 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | trans | -46.5 | 144.1 | 178.1 | 177.2 | 0 | 0 | 0 | 0 | 112 | H684 R685 S686 | C682-H684 PolarHBondContact O-N 3.4Å; C682-H684 PolarHBondContact SG-ND1 3.29Å; C682-R685 WeakPolarHBondContact O-CA 3.47Å; C682-R685 PolarHBondContact O-N 3.41Å; C682-S686 PolarHBondContact O-N 2.89Å | ||
| 683 | K | 55.8 | Low | 49.8 | Very low | 188 Ų | 188 | 103.3 Ų | 103.3 | 82% | 0.817 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -28.8 | 179.9 | -74.2 | -174.2 | 177.7 | 178.9 | 0 | 113.9 | R685 S686 | K683-R685 VanDerWaalsContact C-N 3.25Å; K683-R685 PolarHBondContact O-N 3.42Å; K683-S686 WeakPolarHBondContact CA-OG 3.2Å; K683-S686 PolarHBondContact O-OG 2.76Å |
| 684 | H | 61.8 | Low | 52.9 | Low | 36 Ų | 36 | 93.7 Ų | 93.7 | 17% | 0.167 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.6 | 177.3 | -49.9 | 118.1 | 0 | 0 | 0 | 115 | S581 C682 R688 | S581-H684 WeakPolarHBondContact O-CB 3.35Å; C682-H684 PolarHBondContact O-N 3.4Å; C682-H684 PolarHBondContact SG-ND1 3.29Å; H684-R688 WeakPolarHBondContact O-CD 3.13Å; H684-R688 PolarHBondContact O-NH1 2.88Å |
| 685 | R | 60.2 | Low | 56.2 | Low | 51 Ų | 51 | 94.5 Ų | 94.5 | 19% | 0.192 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -31.6 | -179 | -84.1 | -174.3 | 155.1 | -162.2 | -15.7 | 113.9 | S581 N604 V681 C682 K683 | S581-R685 VanDerWaalsContact OG-CG 3.27Å; S581-R685 WeakPolarHBondContact OG-CG 3.27Å; S581-R685 PolarHBondContact OG-NE 3.42Å; N604-R685 HydrophobicContact CB-CG 4.4Å; N604-R685 WeakPolarHBondContact O-CG 3.48Å; N604-R685 PolarHBondContact O-NE 2.92Å; V681-R685 HydrophobicContact CG1-CB 3.39Å; C682-R685 WeakPolarHBondContact O-CA 3.47Å; C682-R685 PolarHBondContact O-N 3.41Å; K683-R685 VanDerWaalsContact C-N 3.25Å; K683-R685 PolarHBondContact O-N 3.42Å |
| 686 | S | 46 | Very low | 59.5 | Low | 48 Ų | 48 | 87.3 Ų | 87.3 | 34% | 0.336 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 134 | 174.9 | 55 | 0 | 0 | 0 | 0 | 110.5 | C682 K683 R688 | C682-S686 PolarHBondContact O-N 2.89Å; K683-S686 WeakPolarHBondContact CA-OG 3.2Å; K683-S686 PolarHBondContact O-OG 2.76Å; S686-R688 PolarHBondContact O-N 2.92Å; S686-R688 VanDerWaalsContact O-N 3.13Å |
| 687 | N | 51.5 | Low | 62.8 | Low | 165 Ų | 165 | 78.8 Ų | 78.8 | 88% | 0.882 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 11.2 | 177.8 | -61.1 | 5 | 0 | 0 | 0 | 117.1 | S689 | N687-S689 PolarHBondContact O-N 2.95Š|
| 688 | R | 60 | Low | 66 | Low | 79 Ų | 79 | 71.1 Ų | 71.1 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | trans | -86.6 | 94.1 | 172.3 | -76 | -167.8 | 178.8 | 157.2 | -7.4 | 112.6 | A608 H684 S686 | A608-R688 VanDerWaalsContact CB-CZ 3.43Å; H684-R688 WeakPolarHBondContact O-CD 3.13Å; H684-R688 PolarHBondContact O-NH1 2.88Å; S686-R688 PolarHBondContact O-N 2.92Å; S686-R688 VanDerWaalsContact O-N 3.13Å | ||
| 689 | S | 64.9 | Low | 69.1 | Low | 52 Ų | 52 | 66.3 Ų | 66.3 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | trans | -88.8 | -6.4 | 165.7 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | N687 | N687-S689 PolarHBondContact O-N 2.95Š| ||
| 690 | R | 78.9 | Confident | 71.9 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | trans | -134.8 | 158.9 | -168.8 | -68.7 | -172.3 | 157.2 | 78.5 | 58.2 | 115 | E692 Q757 S758 V759 V760 | R690-E692 HydrophobicContact CB-CG 3.71Å; R690-E692 WeakPolarHBondContact CD-OE1 3.36Å; R690-E692 HydrophobicContact CG-CG 4.4Å; R690-Q757 PolarHBondContact NH1-O 2.92Å; R690-Q757 PolarHBondContact NH2-O 3.48Å; R690-S758 VanDerWaalsContact NH2-CA 3.29Å; R690-S758 PolarHBondContact NH2-O 3Å; R690-V759 VanDerWaalsContact CZ-O 3.28Å; R690-V759 PolarHBondContact NE-O 2.96Å; R690-V759 PolarHBondContact NH2-O 2.97Å; R690-V760 CarbonylContact C-O 3.32Å; R690-V760 VanDerWaalsContact CA-O 3.25Å; R690-V760 WeakPolarHBondContact CA-O 3.42Å; R690-V760 WeakPolarHBondContact CB-O 3.31Å | ||
| 691 | L | 82.2 | Confident | 74.7 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | trans | -118.8 | 79 | 162.5 | -68.9 | 172.7 | 0 | 0 | 0 | 109.6 | V603 Y606 F624 N693 L694 V760 | V603-L691 HydrophobicContact CG1-CD1 4.41Å; V603-L691 HydrophobicContact CG1-CG 3.96Å; Y606-L691 HydrophobicContact CD2-CD1 4.32Å; Y606-L691 HydrophobicContact CG-CD1 4.25Å; F624-L691 HydrophobicContact CE1-CD1 4.15Å; F624-L691 HydrophobicContact CZ-CD1 4.48Å; L691-N693 VanDerWaalsContact C-N 3.29Å; L691-N693 PolarHBondContact O-N 2.83Å; L691-L694 HydrophobicContact CB-CB 4.14Å; L691-L694 HydrophobicContact CD1-CD2 4.49Å; L691-L694 PolarHBondContact O-N 3.08Å; L691-V760 PolarHBondContact N-O 3.4Å | ||
| 692 | E | 83.2 | Confident | 77.1 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.1 | -170.3 | -63 | -176.5 | 177.4 | 0 | 0 | 115 | R690 P762 N763 | R690-E692 HydrophobicContact CB-CG 3.71Å; R690-E692 WeakPolarHBondContact CD-OE1 3.36Å; R690-E692 HydrophobicContact CG-CG 4.4Å; E692-P762 HydrophobicContact CG-CG 4.3Å; E692-N763 VanDerWaalsContact O-CB 3.24Å; E692-N763 WeakPolarHBondContact O-CB 3.34Å; E692-N763 PolarHBondContact O-ND2 2.98Å |
| 693 | N | 86.9 | Confident | 79.2 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -4.9 | 175.4 | -70.9 | -67.5 | 0 | 0 | 0 | 114.1 | A608 L610 K611 L691 R695 | A608-N693 WeakPolarHBondContact O-CB 3.47Å; A608-N693 PolarHBondContact O-ND2 3.3Å; L610-N693 CarbonylContact O-C 3.59Å; L610-N693 VanDerWaalsContact O-C 3.25Å; K611-N693 WeakPolarHBondContact CA-O 3.28Å; K611-N693 HydrophobicContact CG-CB 4.26Å; L691-N693 VanDerWaalsContact C-N 3.29Å; L691-N693 PolarHBondContact O-N 2.83Å; N693-R695 PolarHBondContact O-N 3.12Å |
| 694 | L | 89.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -67.1 | 118.8 | -174.2 | -165.4 | 69.9 | 0 | 0 | 0 | 110.3 | L610 L613 L691 L697 F761 N763 L764 | L610-L694 HydrophobicContact CD2-CD1 4.38Å; L610-L694 HydrophobicContact CG-CD1 4.29Å; L610-L694 VanDerWaalsContact O-CA 3.23Å; L610-L694 WeakPolarHBondContact O-CA 3.31Å; L610-L694 PolarHBondContact O-N 3.1Å; L610-L694 VanDerWaalsContact O-N 3.14Å; L613-L694 HydrophobicContact CB-CD1 3.88Å; L691-L694 HydrophobicContact CB-CB 4.14Å; L691-L694 HydrophobicContact CD1-CD2 4.49Å; L691-L694 PolarHBondContact O-N 3.08Å; L694-L697 HydrophobicContact CD2-CB 4.28Å; L694-L697 HydrophobicContact CD2-CD2 4.49Å; L694-F761 HydrophobicContact CB-CB 4.29Å; L694-F761 HydrophobicContact CD2-CB 4.15Å; L694-N763 CarbonylContact O-C 3.56Å; L694-N763 VanDerWaalsContact O-C 3.32Å; L694-L764 HydrophobicContact CB-CD1 4.49Å; L694-L764 HydrophobicContact CD2-CD1 4.07Å; L694-L764 HydrophobicContact CG-CD1 3.93Å; L694-L764 VanDerWaalsContact O-CA 3.3Å; L694-L764 WeakPolarHBondContact O-CA 3.24Å; L694-L764 PolarHBondContact O-N 3.41Å | ||
| 695 | R | 92.8 | Very high | 81.9 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | trans | -101.3 | -40.1 | 177.9 | -64.3 | -58.5 | -179.5 | -169 | -6.2 | 111.6 | K611 N693 N763 L764 S765 M766 | K611-R695 PolarHBondContact O-N 2.56Å; N693-R695 PolarHBondContact O-N 3.12Å; R695-N763 WeakPolarHBondContact CD-O 3.42Å; R695-N763 VanDerWaalsContact NH1-CB 3.27Å; R695-N763 PolarHBondContact NH1-O 3.2Å; R695-N763 PolarHBondContact NH1-OD1 3.17Å; R695-N763 PolarHBondContact NH2-OD1 2.88Å; R695-L764 WeakPolarHBondContact O-CD1 3.36Å; R695-S765 PolarHBondContact O-N 3.04Å; R695-S765 PolarHBondContact O-OG 3.21Å; R695-S765 VanDerWaalsContact O-OG 3.05Å; R695-M766 PolarHBondContact O-N 3.24Å | ||
| 696 | T | 94.4 | Very high | 83 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123 | -170.4 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | K611 H612 L613 L698 M766 | K611-T696 PolarHBondContact O-N 2.76Å; H612-T696 PolarHBondContact CE1-OG1 2.9Å; H612-T696 VanDerWaalsContact CE1-OG1 3.26Å; H612-T696 PolarHBondContact NE2-OG1 3.22Å; H612-T696 VanDerWaalsContact NE2-OG1 3.15Å; L613-T696 PolarHBondContact N-O 2.86Å; T696-L698 HydrophobicContact CG2-CD2 4.05Å; T696-L698 HydrophobicContact CG2-CG 4.11Å; T696-M766 HydrophobicContact CG2-CB 4.23Å; T696-M766 HydrophobicContact CG2-CG 4.39Å |
| 697 | L | 94.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 114.3 | 177 | 178.6 | 58.1 | 0 | 0 | 0 | 109.4 | L613 W623 F624 L694 L699 L764 M766 L767 D768 | L613-L697 HydrophobicContact CB-CD1 4.19Å; L613-L697 HydrophobicContact CD2-CD1 3.98Å; L613-L697 HydrophobicContact CG-CD1 4.04Å; L613-L697 WeakPolarHBondContact O-CA 3.37Å; W623-L697 HydrophobicContact CZ3-CD2 4.27Å; F624-L697 HydrophobicContact CE2-CD2 4.25Å; F624-L697 HydrophobicContact CZ-CD2 4.47Å; L694-L697 HydrophobicContact CD2-CB 4.28Å; L694-L697 HydrophobicContact CD2-CD2 4.49Å; L697-L699 HydrophobicContact CD1-CD1 4.12Å; L697-L699 HydrophobicContact CD1-CG 4.18Å; L697-L699 HydrophobicContact CD2-CD1 3.91Å; L697-L699 HydrophobicContact CG-CD1 3.84Å; L697-L699 HydrophobicContact CG-CG 4.22Å; L697-L764 HydrophobicContact CB-CD1 3.8Å; L697-L764 HydrophobicContact CB-CD2 4.35Å; L697-M766 PolarHBondContact N-O 2.74Å; L697-L767 HydrophobicContact CB-CD1 4.17Å; L697-L767 HydrophobicContact CD2-CD1 4.04Å; L697-L767 HydrophobicContact CG-CD1 4.08Å; L697-L767 WeakPolarHBondContact O-CA 3.42Å; L697-D768 PolarHBondContact O-N 2.85Å; L697-D768 VanDerWaalsContact O-N 3.15Å |
| 698 | L | 95 | Very high | 86.2 | Confident | 41 Ų | 41 | 36.7 Ų | 36.7 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.2 | -179.6 | -52.3 | 178.7 | 0 | 0 | 0 | 110.1 | L613 D614 L615 S616 T696 M766 D768 | L613-L698 PolarHBondContact O-N 3.43Å; D614-L698 HydrophobicContact CB-CB 4.39Å; D614-L698 HydrophobicContact CB-CD1 4.3Å; L615-L698 PolarHBondContact N-O 2.75Å; S616-L698 PolarHBondContact N-O 2.86Å; S616-L698 WeakPolarHBondContact OG-CB 3.21Å; T696-L698 HydrophobicContact CG2-CD2 4.05Å; T696-L698 HydrophobicContact CG2-CG 4.11Å; L698-M766 HydrophobicContact CD2-CE 4.16Å; L698-D768 HydrophobicContact CD2-CB 3.88Å |
| 699 | L | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -134.5 | 21.9 | -175.2 | -73.8 | 164.1 | 0 | 0 | 0 | 111.4 | I600 L615 I620 W623 L697 N702 L704 D768 V769 N772 | I600-L699 HydrophobicContact CD1-CD1 3.98Å; I600-L699 HydrophobicContact CD1-CD2 3.76Å; I600-L699 HydrophobicContact CG1-CD2 4.25Å; L615-L699 HydrophobicContact CB-CD2 3.95Å; L615-L699 HydrophobicContact CD1-CD2 4.13Å; I620-L699 HydrophobicContact CD1-CD2 4.01Å; W623-L699 HydrophobicContact CH2-CD1 4.29Å; W623-L699 HydrophobicContact CZ2-CD1 4.42Å; L697-L699 HydrophobicContact CD1-CD1 4.12Å; L697-L699 HydrophobicContact CD1-CG 4.18Å; L697-L699 HydrophobicContact CD2-CD1 3.91Å; L697-L699 HydrophobicContact CG-CD1 3.84Å; L697-L699 HydrophobicContact CG-CG 4.22Å; L699-N702 PolarHBondContact O-ND2 3.45Å; L699-L704 HydrophobicContact CB-CD1 4.06Å; L699-L704 HydrophobicContact CD1-CD1 4.15Å; L699-D768 CarbonylContact C-O 3.6Å; L699-D768 WeakPolarHBondContact CA-O 3.48Å; L699-D768 WeakPolarHBondContact CB-O 3.17Å; L699-D768 PolarHBondContact N-O 2.98Å; L699-V769 HydrophobicContact CB-CG1 4.12Å; L699-V769 HydrophobicContact CD1-CG1 4.39Å; L699-N772 PolarHBondContact O-ND2 3.1Å | ||
| 700 | A | 92.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | trans | -60.6 | 155.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S616 G617 N702 D768 S770 | S616-A700 CarbonylContact C-O 3.25Å; S616-A700 VanDerWaalsContact CA-O 3.27Å; S616-A700 WeakPolarHBondContact CA-O 3.37Å; G617-A700 PolarHBondContact N-O 3.23Å; A700-N702 PolarHBondContact O-ND2 2.97Å; A700-D768 PolarHBondContact N-O 3.18Å; A700-S770 WeakPolarHBondContact CA-O 3.46Å | ||
| 701 | D | 94.1 | Very high | 86.9 | Confident | 82 Ų | 82 | 31.3 Ų | 31.3 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 50.3 | 62.9 | 178.1 | -66.8 | -55.7 | 0 | 0 | 0 | 112.7 | G617 N618 S770 H771 | G617-D701 CarbonylContact C-O 3.48Å; G617-D701 VanDerWaalsContact CA-O 3.25Å; G617-D701 WeakPolarHBondContact CA-O 3.28Å; G617-D701 PolarHBondContact N-O 2.68Å; N618-D701 PolarHBondContact N-O 3.43Å; D701-S770 PolarHBondContact N-O 3.18Å; D701-H771 VanDerWaalsContact OD1-CB 3.27Å; D701-H771 WeakPolarHBondContact OD1-CB 3.25Å; D701-H771 IonicContact OD1-CG 2.84Å |
| 702 | N | 93.2 | Very high | 85.7 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -136 | -155.5 | -178.4 | -91.6 | -77.3 | 0 | 0 | 0 | 110.4 | L615 N618 K619 I620 L699 A700 H771 N772 | L615-N702 PolarHBondContact O-ND2 3.21Å; L615-N702 VanDerWaalsContact O-ND2 3.09Å; N618-N702 WeakPolarHBondContact CA-OD1 3.41Å; N618-N702 VanDerWaalsContact CB-OD1 3.23Å; N618-N702 WeakPolarHBondContact CB-OD1 3.36Å; K619-N702 PolarHBondContact N-OD1 3.31Å; I620-N702 HydrophobicContact CB-CB 4.37Å; I620-N702 WeakPolarHBondContact CB-OD1 3.28Å; I620-N702 VanDerWaalsContact CG1-OD1 3.32Å; I620-N702 WeakPolarHBondContact CG1-OD1 3.47Å; I620-N702 PolarHBondContact N-OD1 3.19Å; L699-N702 PolarHBondContact O-ND2 3.45Å; A700-N702 PolarHBondContact O-ND2 2.97Å; N702-H771 PolarHBondContact N-O 3.36Å; N702-N772 WeakPolarHBondContact CA-OD1 3.41Å; N702-N772 VanDerWaalsContact CB-OD1 3.25Å; N702-N772 WeakPolarHBondContact CB-OD1 3.41Å |
| 703 | C | 92.7 | Very high | 84.4 | Confident | 31 Ų | 31 | 35.1 Ų | 35.1 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | trans | -132.5 | 26.4 | -176.7 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | I620 R621 N772 F773 | I620-C703 CarbonylContact O-C 3.49Å; I620-C703 VanDerWaalsContact O-CA 3.31Å; I620-C703 WeakPolarHBondContact O-CA 3.33Å; I620-C703 PolarHBondContact O-N 3.34Å; R621-C703 HydrophobicContact CG-CB 3.64Å; C703-N772 PolarHBondContact N-OD1 3.24Å; C703-N772 VanDerWaalsContact N-OD1 3.16Å; C703-F773 HydrophobicContact CB-CD2 4.4Å; C703-F773 HydrophobicContact CB-CE2 4.36Å | ||
| 704 | L | 88.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -65 | 133.6 | -176.9 | -61.6 | 173 | 0 | 0 | 0 | 111.4 | I620 W623 L699 V769 N772 F773 I774 | I620-L704 HydrophobicContact CG2-CD2 3.76Å; I620-L704 PolarHBondContact O-N 3.49Å; W623-L704 HydrophobicContact CZ2-CD1 4.4Å; L699-L704 HydrophobicContact CB-CD1 4.06Å; L699-L704 HydrophobicContact CD1-CD1 4.15Å; L704-V769 HydrophobicContact CD1-CG1 4.3Å; L704-N772 HydrophobicContact CB-CB 4.23Å; L704-N772 VanDerWaalsContact CB-OD1 3.3Å; L704-N772 WeakPolarHBondContact CB-OD1 3.35Å; L704-N772 WeakPolarHBondContact CG-OD1 3.24Å; L704-N772 PolarHBondContact N-OD1 3.02Å; L704-F773 CarbonylContact O-C 3.57Å; L704-F773 VanDerWaalsContact O-C 3.25Å; L704-F773 VanDerWaalsContact O-CA 3.31Å; L704-F773 WeakPolarHBondContact O-CA 3.36Å; L704-F773 PolarHBondContact O-N 3.39Å; L704-I774 HydrophobicContact CB-CG1 4.37Å; L704-I774 PolarHBondContact O-N 2.92Å | ||
| 705 | E | 85.5 | Confident | 80.2 | Confident | 83 Ų | 83 | 39.8 Ų | 39.8 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | trans | -99.4 | -14.1 | -179.8 | -69.7 | 169.9 | -144.6 | 0 | 0 | 113.2 | R621 I774 D775 | R621-E705 IonicContact CZ-OE1 3.23Å; R621-E705 IonicContact NE-OE1 2.7Å; R621-E705 IonicContact NH1-OE1 3.69Å; R621-E705 PolarHBondContact NH1-OE1 3.27Å; E705-I774 WeakPolarHBondContact O-CA 3.24Å; E705-D775 PolarHBondContact O-N 3.27Å | ||
| 706 | G | 84.3 | Confident | 77.7 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 25% | 0.247 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -157.1 | -176.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W623 | W623-G706 PolarHBondContact NE1-O 3.3Š|
| 707 | I | 84.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | trans | -120.2 | 137.7 | 175.2 | -64.8 | 175.2 | 0 | 0 | 0 | 109.2 | W623 I709 V769 I774 I777 P778 L792 | W623-I707 HydrophobicContact CH2-CG2 4.09Å; W623-I707 HydrophobicContact CZ2-CB 4.15Å; W623-I707 HydrophobicContact CZ2-CG1 4.09Å; W623-I707 HydrophobicContact CZ2-CG2 3.95Å; I707-I709 HydrophobicContact CG2-CD1 3.76Å; I707-I709 HydrophobicContact CG2-CG1 3.84Å; I707-V769 HydrophobicContact CD1-CG2 4.37Å; I707-I774 HydrophobicContact CD1-CD1 4.19Å; I707-I774 HydrophobicContact CD1-CG2 4.29Å; I707-I774 HydrophobicContact CG1-CD1 3.9Å; I707-I774 HydrophobicContact CG1-CG2 4.08Å; I707-I777 HydrophobicContact CD1-CG1 4.21Å; I707-I777 HydrophobicContact CD1-CG2 4.39Å; I707-P778 HydrophobicContact CB-CG 4.48Å; I707-P778 HydrophobicContact CG2-CG 4.31Å; I707-L792 HydrophobicContact CD1-CD2 3.95Å | ||
| 708 | V | 80.1 | Confident | 71.6 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | trans | -129.4 | 121.7 | -178.2 | 176 | 0 | 0 | 0 | 0 | 109.3 | W623 D713 L714 | W623-V708 HydrophobicContact CB-CB 3.78Å; W623-V708 HydrophobicContact CB-CG1 4.48Å; W623-V708 HydrophobicContact CB-CG2 3.91Å; W623-V708 HydrophobicContact CD2-CB 4.06Å; W623-V708 HydrophobicContact CE3-CB 4.31Å; W623-V708 HydrophobicContact CG-CB 3.82Å; W623-V708 HydrophobicContact CG-CG2 3.96Å; W623-V708 WeakPolarHBondContact CZ3-O 3.19Å; V708-D713 HydrophobicContact CG1-CB 4.16Å; V708-L714 HydrophobicContact CG1-CD2 3.94Å; V708-L714 HydrophobicContact CG1-CG 3.92Å; V708-L714 HydrophobicContact CG2-CD2 4.3Å | ||
| 709 | I | 80.9 | Confident | 68.5 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -124.9 | -32.6 | -171.2 | -67.3 | 175.7 | 0 | 0 | 0 | 111.9 | I707 D713 V759 V760 F761 P778 I781 L784 | I707-I709 HydrophobicContact CG2-CD1 3.76Å; I707-I709 HydrophobicContact CG2-CG1 3.84Å; I709-D713 PolarHBondContact N-OD2 3.23Å; I709-V759 HydrophobicContact CG2-CG1 4Å; I709-V759 HydrophobicContact CG2-CG2 4.33Å; I709-V759 CarbonylContact O-C 3.59Å; I709-V759 WeakPolarHBondContact O-CA 3.46Å; I709-V760 PolarHBondContact O-N 2.86Å; I709-F761 HydrophobicContact CG1-CE2 4.25Å; I709-F761 HydrophobicContact CG1-CZ 4.19Å; I709-F761 HydrophobicContact CG2-CE2 4.48Å; I709-P778 HydrophobicContact CD1-CG 4.46Å; I709-I781 VanDerWaalsContact CD1-CA 3.46Å; I709-I781 HydrophobicContact CD1-CB 3.57Å; I709-I781 HydrophobicContact CD1-CD1 4.22Å; I709-I781 HydrophobicContact CD1-CG1 3.63Å; I709-L784 HydrophobicContact CD1-CD1 3.92Å; I709-L784 HydrophobicContact CG1-CD1 4.44Å; I709-L784 HydrophobicContact CG2-CD1 4.25Å; I709-L784 HydrophobicContact CG2-CD2 4.26Å; I709-L784 HydrophobicContact CG2-CG 4.12Å | ||
| 710 | T | 74.6 | Confident | 65.5 | Low | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -109 | 164.8 | 171.6 | 69.9 | 0 | 0 | 0 | 0 | 110.5 | E712 D713 L755 S758 V759 | T710-E712 PolarHBondContact O-N 3.28Å; T710-E712 PolarHBondContact OG1-N 2.86Å; T710-D713 PolarHBondContact N-OD2 3.31Å; T710-D713 PolarHBondContact OG1-N 3.37Å; T710-D713 PolarHBondContact OG1-OD2 2.94Å; T710-L755 HydrophobicContact CG2-CD2 3.86Å; T710-S758 VanDerWaalsContact CG2-OG 3.23Å; T710-S758 WeakPolarHBondContact CG2-OG 3.47Å; T710-V759 HydrophobicContact CG2-CG2 4.35Å |
| 711 | L | 63.1 | Low | 62.4 | Low | 54 Ų | 54 | 67.3 Ų | 67.3 | 28% | 0.283 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -73.7 | -16.3 | 174.2 | -73.7 | 160.5 | 0 | 0 | 0 | 113.4 | A626 L714 S758 V760 | A626-L711 HydrophobicContact CB-CD2 3.75Å; L711-L714 HydrophobicContact CD2-CD1 4.39Å; L711-S758 PolarHBondContact N-O 3.37Å; L711-V760 HydrophobicContact CD2-CG2 4.45Å; L711-V760 HydrophobicContact CG-CG2 4.2Å |
| 712 | E | 56.1 | Low | 59.3 | Low | 134 Ų | 134 | 70.5 Ų | 70.5 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -81.2 | -32.6 | -179.1 | -59.7 | -176.2 | 138.6 | 0 | 0 | 112 | T710 L714 T715 | T710-E712 PolarHBondContact O-N 3.28Å; T710-E712 PolarHBondContact OG1-N 2.86Å; E712-L714 PolarHBondContact O-N 3Å; E712-T715 WeakPolarHBondContact O-CB 3.36Å; E712-T715 WeakPolarHBondContact O-CG2 3.28Å; E712-T715 PolarHBondContact O-N 3.26Å; E712-T715 PolarHBondContact O-OG1 3.41Å |
| 713 | D | 56.2 | Low | 56.2 | Low | 51 Ų | 51 | 76.8 Ų | 76.8 | 27% | 0.273 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -52.1 | -26.7 | 175 | -65.2 | -49.2 | 0 | 0 | 0 | 112.6 | V708 I709 T710 T715 S780 | V708-D713 HydrophobicContact CG1-CB 4.16Å; I709-D713 PolarHBondContact N-OD2 3.23Å; T710-D713 PolarHBondContact N-OD2 3.31Å; T710-D713 PolarHBondContact OG1-N 3.37Å; T710-D713 PolarHBondContact OG1-OD2 2.94Å; D713-T715 VanDerWaalsContact C-N 3.3Å; D713-T715 PolarHBondContact O-N 2.79Å; D713-S780 PolarHBondContact OD2-OG 2.9Å |
| 714 | L | 47.5 | Very low | 53.8 | Low | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -72.2 | -14.8 | 179.5 | -70.6 | 169.7 | 0 | 0 | 0 | 114.6 | A626 V708 L711 E712 | A626-L714 HydrophobicContact CB-CD1 3.67Å; V708-L714 HydrophobicContact CG1-CD2 3.94Å; V708-L714 HydrophobicContact CG1-CG 3.92Å; V708-L714 HydrophobicContact CG2-CD2 4.3Å; L711-L714 HydrophobicContact CD2-CD1 4.39Å; E712-L714 PolarHBondContact O-N 3Å |
| 715 | T | 41.1 | Very low | 50.9 | Low | 108 Ų | 108 | 88.3 Ų | 88.3 | 66% | 0.663 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -83.5 | -14.6 | -167.3 | 60 | 0 | 0 | 0 | 0 | 115.2 | E712 D713 | E712-T715 WeakPolarHBondContact O-CB 3.36Å; E712-T715 WeakPolarHBondContact O-CG2 3.28Å; E712-T715 PolarHBondContact O-N 3.26Å; E712-T715 PolarHBondContact O-OG1 3.41Å; D713-T715 VanDerWaalsContact C-N 3.3Å; D713-T715 PolarHBondContact O-N 2.79Å |
| 716 | H | 38.8 | Very low | 48.2 | Very low | 165 Ų | 165 | 87.3 Ų | 87.3 | 76% | 0.764 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -90.4 | -2.5 | -167.8 | -91.7 | -85 | 0 | 0 | 0 | 116.5 | S718 | H716-S718 PolarHBondContact O-N 3.08Å; H716-S718 VanDerWaalsContact O-N 3.08Å |
| 717 | V | 34.5 | Very low | 45.4 | Very low | 131 Ų | 131 | 98.6 Ų | 98.6 | 79% | 0.794 | 58% | 0.579 | S | S | * | * | trans | -77.4 | 98.2 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 718 | S | 27.5 | Very low | 42.7 | Very low | 99 Ų | 99 | 109.6 Ų | 109.6 | 69% | 0.692 | 62% | 0.619 | S | S | * | * | trans | -70.7 | 125.5 | -178.1 | -67.2 | 0 | 0 | 0 | 0 | 113.1 | H716 V720 | H716-S718 PolarHBondContact O-N 3.08Å; H716-S718 VanDerWaalsContact O-N 3.08Å; S718-V720 PolarHBondContact O-N 2.97Å | ||
| 719 | P | 30.1 | Very low | 40.1 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 84% | 0.844 | 65% | 0.654 | S | S | * | * | trans | -79.2 | 109.1 | 175.8 | 30.7 | -33 | 0 | 0 | 0 | 111.2 | G721 | P719-G721 PolarHBondContact O-N 3.05Š| ||
| 720 | V | 30.3 | Very low | 37.6 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 89% | 0.891 | 69% | 0.687 | S | S | * | * | trans | -82.5 | 112.7 | 178.5 | 179 | 0 | 0 | 0 | 0 | 111.3 | S718 | S718-V720 PolarHBondContact O-N 2.97Š| ||
| 721 | G | 27.1 | Very low | 35.3 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | trans | 104.8 | 90.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | P719 | P719-G721 PolarHBondContact O-N 3.05Š| ||
| 722 | T | 27.7 | Very low | 33.6 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 92% | 0.92 | 74% | 0.743 | S | S | * | * | trans | -159.3 | 154.3 | 130.1 | 4.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 723 | T | 29 | Very low | 32.1 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | -96 | 152.8 | -162.5 | 42.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 724 | P | 41.1 | Very low | 30.7 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -111.3 | 139.9 | -165.3 | 38.8 | -31 | 0 | 0 | 0 | 116.3 | ||||
| 725 | V | 28.6 | Very low | 29.6 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | -149.3 | 134 | 156.9 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 726 | G | 27.9 | Very low | 29 | Very low | 63 Ų | 63 | 143.3 Ų | 143.3 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | cis | 143.3 | 115.5 | -15.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 727 | R | 26.6 | Very low | 28.4 | Very low | 261 Ų | 261 | 142.9 Ų | 142.9 | 99% | 0.985 | 80% | 0.795 | S | S | * | * | trans | -174.2 | 167 | 146.6 | -106.2 | 165.1 | -171.4 | -156.2 | 1.3 | 113 | ||||
| 728 | R | 27.2 | Very low | 27.9 | Very low | 241 Ų | 241 | 145.2 Ų | 145.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -131.3 | 159.1 | -172.6 | -61.8 | 171.8 | 170.5 | 168.7 | -4.3 | 111.6 | ||||
| 729 | R | 27 | Very low | 27.7 | Very low | 234 Ų | 234 | 149.2 Ų | 149.2 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | 178.6 | 115.4 | 130.5 | -98 | 167.1 | -177.8 | -169 | -0.5 | 108.3 | ||||
| 730 | S | 28 | Very low | 27.7 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | 70.4 | 139.1 | 82.4 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 731 | S | 26.8 | Very low | 27.3 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | cis | -174.5 | 163.9 | 1.5 | 32 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 732 | S | 25.6 | Very low | 27.2 | Very low | 102 Ų | 102 | 152.4 Ų | 152.4 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | cis | -132.1 | -145.7 | 6.3 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 733 | T | 26.5 | Very low | 27 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | -160 | 157.8 | 4.5 | -14.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 734 | Q | 25.7 | Very low | 26.7 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | cis | -130.5 | -102.5 | 3.8 | -159.6 | -139.2 | 113 | 0 | 0 | 112.9 | ||||
| 735 | R | 25.3 | Very low | 26.2 | Very low | 178 Ų | 178 | 155 Ų | 155 | 67% | 0.672 | 81% | 0.81 | S | S | * | * | trans | -168 | 157.7 | -176.1 | -106.2 | 172.6 | -166.3 | 159.5 | 8.3 | 109.5 | ||||
| 736 | P | 26.6 | Very low | 26 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | -110.8 | -179.1 | 76.5 | -10.8 | 30.5 | 0 | 0 | 0 | 115.5 | |||||
| 737 | K | 27 | Very low | 26 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 68% | 0.683 | 80% | 0.797 | S | S | * | * | trans | -117.3 | 156.3 | 164 | -61.2 | 174.9 | 176.8 | -179.9 | 0 | 108.2 | ||||
| 738 | L | 25.1 | Very low | 26.4 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 94% | 0.937 | 77% | 0.769 | S | S | * | * | trans | -121.9 | 165.2 | 153.4 | -104.5 | 164.6 | 0 | 0 | 0 | 111.2 | ||||
| 739 | K | 22.4 | Very low | 27 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | -129 | 156.3 | -177.1 | -68.3 | 177.8 | 176.8 | 178.5 | 0 | 109 | ||||
| 740 | V | 29.5 | Very low | 28 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | 19.1 | 103.6 | 141.8 | -171.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 741 | A | 23 | Very low | 29 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | trans | -161.6 | 138.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 742 | E | 24.3 | Very low | 30.3 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | cis | 57.2 | 108.8 | 8 | -70.8 | -171.1 | -174 | 0 | 0 | 115.4 | ||||
| 743 | A | 22.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | 80.8 | 163 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 744 | E | 23.3 | Very low | 32.8 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | 68.8 | 58.6 | 179.5 | -60.8 | -177.9 | -173.4 | 0 | 0 | 116.9 | ||||
| 745 | L | 30.1 | Very low | 34.4 | Very low | 189 Ų | 189 | 124 Ų | 124 | 99% | 0.99 | 67% | 0.666 | S | S | * | * | trans | -110.4 | 71.7 | 151.5 | -111.4 | 168 | 0 | 0 | 0 | 108.6 | ||||
| 746 | S | 25 | Very low | 36.2 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | trans | -156 | 83.8 | -179.3 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 747 | N | 27.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 122 Ų | 122 | 67% | 0.674 | 65% | 0.647 | S | S | * | * | trans | -146.2 | 105.7 | 172.7 | -166.4 | 35.1 | 0 | 0 | 0 | 107.8 | D749 | N747-D749 VanDerWaalsContact C-N 3.3Å; N747-D749 PolarHBondContact O-N 2.75Å | ||
| 748 | P | 36.4 | Very low | 40.2 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 41% | 0.409 | 62% | 0.621 | S | S | . | * | trans | -70.6 | -26.5 | -170.9 | 24.3 | -32.9 | 0 | 0 | 0 | 113.6 | V750 E849 | P748-V750 PolarHBondContact O-N 2.9Å; P748-E849 HydrophobicContact CB-CG 4.11Å; P748-E849 WeakPolarHBondContact CD-OE2 3.06Å; P748-E849 WeakPolarHBondContact CG-OE2 3.4Å | ||
| 749 | D | 39.6 | Very low | 42.7 | Very low | 134 Ų | 134 | 107 Ų | 107 | 72% | 0.717 | 58% | 0.577 | S | S | * | * | trans | -84.3 | 58.3 | -166.8 | -62.2 | -39.2 | 0 | 0 | 0 | 111.9 | N747 D751 | N747-D749 VanDerWaalsContact C-N 3.3Å; N747-D749 PolarHBondContact O-N 2.75Å; D749-D751 PolarHBondContact O-N 3.22Å; D749-D751 VanDerWaalsContact O-N 3.11Å | ||
| 750 | V | 47.9 | Very low | 45.5 | Very low | 84 Ų | 84 | 98.4 Ų | 98.4 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | trans | -70.6 | 96.3 | 158.5 | 179 | 0 | 0 | 0 | 0 | 106.9 | P748 F752 L755 | P748-V750 PolarHBondContact O-N 2.9Å; V750-F752 WeakPolarHBondContact O-CD2 3.38Å; V750-F752 PolarHBondContact O-N 2.94Å; V750-L755 HydrophobicContact CG1-CD1 3.82Å | ||
| 751 | D | 48.5 | Very low | 48.3 | Very low | 86 Ų | 86 | 91.7 Ų | 91.7 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | trans | -69.7 | 99.4 | -178.5 | -175.1 | 44.7 | 0 | 0 | 0 | 111.1 | D749 T753 E754 L755 | D749-D751 PolarHBondContact O-N 3.22Å; D749-D751 VanDerWaalsContact O-N 3.11Å; D751-T753 VanDerWaalsContact CG-OG1 3.28Å; D751-T753 PolarHBondContact O-N 3.48Å; D751-T753 PolarHBondContact OD1-OG1 2.91Å; D751-T753 WeakPolarHBondContact OD2-CB 3.31Å; D751-T753 PolarHBondContact OD2-OG1 3.07Å; D751-T753 VanDerWaalsContact OD2-OG1 3.05Å; D751-E754 PolarHBondContact O-N 2.87Å; D751-E754 VanDerWaalsContact O-N 3.08Å; D751-E754 PolarHBondContact OD2-N 3.09Å; D751-L755 PolarHBondContact O-N 3.5Å | ||
| 752 | F | 53.9 | Low | 51.2 | Low | 48 Ų | 48 | 89.2 Ų | 89.2 | 21% | 0.211 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -59.1 | -12.4 | 176.9 | -83.8 | -86.8 | 0 | 0 | 0 | 113.3 | V750 R756 A782 L807 | V750-F752 WeakPolarHBondContact O-CD2 3.38Å; V750-F752 PolarHBondContact O-N 2.94Å; F752-R756 WeakPolarHBondContact O-CB 3.34Å; F752-R756 VanDerWaalsContact O-CG 3.31Å; F752-R756 WeakPolarHBondContact O-CG 3.22Å; F752-R756 PolarHBondContact O-N 2.97Å; F752-A782 HydrophobicContact CE1-CB 3.81Å; F752-A782 HydrophobicContact CZ-CB 4.12Å; F752-L807 HydrophobicContact CD2-CD1 4.29Å; F752-L807 HydrophobicContact CE1-CD1 4.07Å; F752-L807 HydrophobicContact CE2-CD1 3.57Å; F752-L807 HydrophobicContact CZ-CD1 3.44Å; F752-L807 VanDerWaalsContact CZ-CD1 3.44Å |
| 753 | T | 50.6 | Low | 54.3 | Low | 89 Ų | 89 | 83 Ų | 83 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 173.7 | -27.1 | 0 | 0 | 0 | 0 | 111.9 | D751 | D751-T753 VanDerWaalsContact CG-OG1 3.28Å; D751-T753 PolarHBondContact O-N 3.48Å; D751-T753 PolarHBondContact OD1-OG1 2.91Å; D751-T753 WeakPolarHBondContact OD2-CB 3.31Å; D751-T753 PolarHBondContact OD2-OG1 3.07Å; D751-T753 VanDerWaalsContact OD2-OG1 3.05Å |
| 754 | E | 53.5 | Low | 57.6 | Low | 147 Ų | 147 | 78.6 Ų | 78.6 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -71.2 | -40.6 | 169.7 | -68.6 | -164.5 | 147.5 | 0 | 0 | 111.8 | D751 R756 Q757 | D751-E754 PolarHBondContact O-N 2.87Å; D751-E754 VanDerWaalsContact O-N 3.08Å; D751-E754 PolarHBondContact OD2-N 3.09Å; E754-R756 VanDerWaalsContact C-N 3.29Å; E754-R756 PolarHBondContact O-N 3.46Å; E754-Q757 VanDerWaalsContact O-CA 3.28Å; E754-Q757 WeakPolarHBondContact O-CA 2.87Å; E754-Q757 VanDerWaalsContact O-CB 3.27Å; E754-Q757 WeakPolarHBondContact O-CB 3.41Å; E754-Q757 PolarHBondContact O-N 2.84Å |
| 755 | L | 60.2 | Low | 60.8 | Low | 40 Ų | 40 | 71.7 Ų | 71.7 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.4 | -33.8 | -178.4 | -142.1 | 159.5 | 0 | 0 | 0 | 111.9 | T710 V750 D751 Q757 S758 V759 A783 | T710-L755 HydrophobicContact CG2-CD2 3.86Å; V750-L755 HydrophobicContact CG1-CD1 3.82Å; D751-L755 PolarHBondContact O-N 3.5Å; L755-Q757 PolarHBondContact O-N 2.91Å; L755-S758 PolarHBondContact O-N 2.63Å; L755-S758 PolarHBondContact O-OG 3.06Å; L755-V759 PolarHBondContact O-N 2.88Å; L755-A783 HydrophobicContact CD2-CB 4.24Å |
| 756 | R | 63.3 | Low | 63.9 | Low | 124 Ų | 124 | 64.4 Ų | 64.4 | 47% | 0.468 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.2 | 167.1 | -85 | 174.8 | 167 | -159.5 | 1.5 | 113.3 | F752 E754 S758 | F752-R756 WeakPolarHBondContact O-CB 3.34Å; F752-R756 VanDerWaalsContact O-CG 3.31Å; F752-R756 WeakPolarHBondContact O-CG 3.22Å; F752-R756 PolarHBondContact O-N 2.97Å; E754-R756 VanDerWaalsContact C-N 3.29Å; E754-R756 PolarHBondContact O-N 3.46Å; R756-S758 VanDerWaalsContact C-N 3.28Å; R756-S758 PolarHBondContact O-N 3.15Å |
| 757 | Q | 66.3 | Low | 67.2 | Low | 143 Ų | 143 | 60.1 Ų | 60.1 | 67% | 0.668 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2 | 174.8 | -56.4 | -170.8 | 45.5 | 0 | 0 | 113.9 | R690 E754 L755 | R690-Q757 PolarHBondContact NH1-O 2.92Å; R690-Q757 PolarHBondContact NH2-O 3.48Å; E754-Q757 VanDerWaalsContact O-CA 3.28Å; E754-Q757 WeakPolarHBondContact O-CA 2.87Å; E754-Q757 VanDerWaalsContact O-CB 3.27Å; E754-Q757 WeakPolarHBondContact O-CB 3.41Å; E754-Q757 PolarHBondContact O-N 2.84Å; L755-Q757 PolarHBondContact O-N 2.91Å |
| 758 | S | 71.4 | Confident | 70.4 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -19.7 | 169.2 | 75.7 | 0 | 0 | 0 | 0 | 114.9 | R690 T710 L711 L755 R756 | R690-S758 VanDerWaalsContact NH2-CA 3.29Å; R690-S758 PolarHBondContact NH2-O 3Å; T710-S758 VanDerWaalsContact CG2-OG 3.23Å; T710-S758 WeakPolarHBondContact CG2-OG 3.47Å; L711-S758 PolarHBondContact N-O 3.37Å; L755-S758 PolarHBondContact O-N 2.63Å; L755-S758 PolarHBondContact O-OG 3.06Å; R756-S758 VanDerWaalsContact C-N 3.28Å; R756-S758 PolarHBondContact O-N 3.15Å |
| 759 | V | 77.8 | Confident | 73.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 139.2 | 179 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | R690 I709 T710 L755 P762 A783 L784 | R690-V759 VanDerWaalsContact CZ-O 3.28Å; R690-V759 PolarHBondContact NE-O 2.96Å; R690-V759 PolarHBondContact NH2-O 2.97Å; I709-V759 HydrophobicContact CG2-CG1 4Å; I709-V759 HydrophobicContact CG2-CG2 4.33Å; I709-V759 CarbonylContact O-C 3.59Å; I709-V759 WeakPolarHBondContact O-CA 3.46Å; T710-V759 HydrophobicContact CG2-CG2 4.35Å; L755-V759 PolarHBondContact O-N 2.88Å; V759-P762 HydrophobicContact CB-CB 4.42Å; V759-P762 HydrophobicContact CG1-CB 4.17Å; V759-A783 HydrophobicContact CG2-CB 3.48Å; V759-A783 VanDerWaalsContact CG2-CB 3.48Å; V759-L784 HydrophobicContact CG1-CD2 3.74Å |
| 760 | V | 81.3 | Confident | 75.6 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -78.2 | -39.7 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 113 | V603 R690 L691 I709 L711 | V603-V760 HydrophobicContact CG1-CG1 4.13Å; V603-V760 HydrophobicContact CG2-CG1 3.83Å; R690-V760 CarbonylContact C-O 3.32Å; R690-V760 VanDerWaalsContact CA-O 3.25Å; R690-V760 WeakPolarHBondContact CA-O 3.42Å; R690-V760 WeakPolarHBondContact CB-O 3.31Å; L691-V760 PolarHBondContact N-O 3.4Å; I709-V760 PolarHBondContact O-N 2.86Å; L711-V760 HydrophobicContact CD2-CG2 4.45Å; L711-V760 HydrophobicContact CG-CG2 4.2Å |
| 761 | F | 87.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -130.9 | 67.3 | -176.1 | 34.8 | -97.5 | 0 | 0 | 0 | 111.5 | W623 F624 L694 I709 N763 L764 L784 | W623-F761 HydrophobicContact CE3-CE1 4.46Å; W623-F761 HydrophobicContact CE3-CZ 4.35Å; W623-F761 HydrophobicContact CZ3-CE1 4.09Å; W623-F761 AromaticContact CZ3-CZ 3.67Å; W623-F761 HydrophobicContact CZ3-CZ 3.67Å; F624-F761 HydrophobicContact CD2-CE1 4.05Å; F624-F761 AromaticContact CE2-CD1 3.99Å; F624-F761 HydrophobicContact CE2-CD1 3.99Å; F624-F761 AromaticContact CE2-CE1 3.71Å; F624-F761 HydrophobicContact CE2-CE1 3.71Å; L694-F761 HydrophobicContact CB-CB 4.29Å; L694-F761 HydrophobicContact CD2-CB 4.15Å; I709-F761 HydrophobicContact CG1-CE2 4.25Å; I709-F761 HydrophobicContact CG1-CZ 4.19Å; I709-F761 HydrophobicContact CG2-CE2 4.48Å; F761-N763 PolarHBondContact O-N 3.15Å; F761-L764 HydrophobicContact CD2-CB 4.07Å; F761-L764 HydrophobicContact CD2-CD2 3.87Å; F761-L764 HydrophobicContact CD2-CG 4.43Å; F761-L764 HydrophobicContact CE2-CD2 4.13Å; F761-L764 PolarHBondContact O-N 3.13Å; F761-L784 HydrophobicContact CD2-CD1 4.44Å; F761-L784 HydrophobicContact CD2-CD2 3.87Å; F761-L784 HydrophobicContact CE2-CD1 4.05Å; F761-L784 HydrophobicContact CE2-CD2 4.14Å; F761-L784 VanDerWaalsContact O-CD2 3.28Å; F761-L784 WeakPolarHBondContact O-CD2 3.28Å |
| 762 | P | 84.7 | Confident | 79.9 | Confident | 31 Ų | 31 | 42 Ų | 42 | 20% | 0.201 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.2 | -166.8 | 25.5 | -36.3 | 0 | 0 | 0 | 115.9 | E692 V759 | E692-P762 HydrophobicContact CG-CG 4.3Å; V759-P762 HydrophobicContact CB-CB 4.42Å; V759-P762 HydrophobicContact CG1-CB 4.17Å |
| 763 | N | 89.1 | Confident | 81.6 | Confident | 51 Ų | 51 | 44.5 Ų | 44.5 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 4.8 | -174.6 | -99.8 | -50.3 | 0 | 0 | 0 | 114.1 | E692 L694 R695 F761 S765 C786 | E692-N763 VanDerWaalsContact O-CB 3.24Å; E692-N763 WeakPolarHBondContact O-CB 3.34Å; E692-N763 PolarHBondContact O-ND2 2.98Å; L694-N763 CarbonylContact O-C 3.56Å; L694-N763 VanDerWaalsContact O-C 3.32Å; R695-N763 WeakPolarHBondContact CD-O 3.42Å; R695-N763 VanDerWaalsContact NH1-CB 3.27Å; R695-N763 PolarHBondContact NH1-O 3.2Å; R695-N763 PolarHBondContact NH1-OD1 3.17Å; R695-N763 PolarHBondContact NH2-OD1 2.88Å; F761-N763 PolarHBondContact O-N 3.15Å; N763-S765 PolarHBondContact O-N 3.22Å; N763-C786 WeakPolarHBondContact O-CB 3.19Å |
| 764 | L | 90.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -61.3 | 127.7 | -174.2 | -160.3 | 77.5 | 0 | 0 | 0 | 111.9 | L694 R695 L697 F761 L767 L784 C786 L787 | L694-L764 HydrophobicContact CB-CD1 4.49Å; L694-L764 HydrophobicContact CD2-CD1 4.07Å; L694-L764 HydrophobicContact CG-CD1 3.93Å; L694-L764 VanDerWaalsContact O-CA 3.3Å; L694-L764 WeakPolarHBondContact O-CA 3.24Å; L694-L764 PolarHBondContact O-N 3.41Å; R695-L764 WeakPolarHBondContact O-CD1 3.36Å; L697-L764 HydrophobicContact CB-CD1 3.8Å; L697-L764 HydrophobicContact CB-CD2 4.35Å; F761-L764 HydrophobicContact CD2-CB 4.07Å; F761-L764 HydrophobicContact CD2-CD2 3.87Å; F761-L764 HydrophobicContact CD2-CG 4.43Å; F761-L764 HydrophobicContact CE2-CD2 4.13Å; F761-L764 PolarHBondContact O-N 3.13Å; L764-L767 HydrophobicContact CD2-CB 3.89Å; L764-L767 HydrophobicContact CD2-CD1 4.26Å; L764-L767 HydrophobicContact CD2-CG 4.45Å; L764-L784 HydrophobicContact CB-CD2 4.4Å; L764-C786 CarbonylContact O-C 3.1Å; L764-C786 VanDerWaalsContact O-C 3.24Å; L764-C786 VanDerWaalsContact O-CB 3.27Å; L764-C786 WeakPolarHBondContact O-CB 3.32Å; L764-L787 HydrophobicContact CD2-CD1 4.29Å; L764-L787 HydrophobicContact CG-CD1 4.46Å; L764-L787 WeakPolarHBondContact O-CA 3.45Å; L764-L787 PolarHBondContact O-N 2.92Å; L764-L787 VanDerWaalsContact O-N 3.09Å | ||
| 765 | S | 92 | Very high | 85 | Confident | 37 Ų | 37 | 37 Ų | 37 | 26% | 0.259 | 18% | 0.183 | S | C | . | . | trans | -106.6 | -25.3 | 177.8 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | R695 N763 C786 A788 T789 | R695-S765 PolarHBondContact O-N 3.04Å; R695-S765 PolarHBondContact O-OG 3.21Å; R695-S765 VanDerWaalsContact O-OG 3.05Å; N763-S765 PolarHBondContact O-N 3.22Å; S765-C786 WeakPolarHBondContact CA-O 3.5Å; S765-A788 PolarHBondContact O-N 3.27Å; S765-T789 PolarHBondContact O-N 3.41Å; S765-T789 VanDerWaalsContact O-N 3.15Å | ||
| 766 | M | 95.3 | Very high | 86.3 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 17% | 0.172 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.4 | 177.9 | -178 | 162.4 | 178.8 | 0 | 0 | 111.9 | R695 T696 L697 L698 T789 | R695-M766 PolarHBondContact O-N 3.24Å; T696-M766 HydrophobicContact CG2-CB 4.23Å; T696-M766 HydrophobicContact CG2-CG 4.39Å; L697-M766 PolarHBondContact N-O 2.74Å; L698-M766 HydrophobicContact CD2-CE 4.16Å; M766-T789 WeakPolarHBondContact CA-O 3.39Å; M766-T789 HydrophobicContact CE-CG2 4.07Å; M766-T789 HydrophobicContact CG-CG2 4.11Å; M766-T789 HydrophobicContact SD-CG2 4.29Å |
| 767 | L | 94.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 119.8 | 173.7 | -178.7 | 59 | 0 | 0 | 0 | 109.8 | W623 L697 L764 V769 L787 T789 L790 N791 | W623-L767 HydrophobicContact CH2-CD1 4.25Å; W623-L767 HydrophobicContact CH2-CD2 4.34Å; L697-L767 HydrophobicContact CB-CD1 4.17Å; L697-L767 HydrophobicContact CD2-CD1 4.04Å; L697-L767 HydrophobicContact CG-CD1 4.08Å; L697-L767 WeakPolarHBondContact O-CA 3.42Å; L764-L767 HydrophobicContact CD2-CB 3.89Å; L764-L767 HydrophobicContact CD2-CD1 4.26Å; L764-L767 HydrophobicContact CD2-CG 4.45Å; L767-V769 HydrophobicContact CD1-CG1 3.86Å; L767-V769 HydrophobicContact CG-CG1 4.07Å; L767-L787 HydrophobicContact CB-CD1 4.01Å; L767-T789 PolarHBondContact N-O 2.83Å; L767-L790 HydrophobicContact CB-CD1 4.04Å; L767-L790 HydrophobicContact CD2-CD1 3.92Å; L767-L790 HydrophobicContact CG-CD1 4.09Å; L767-L790 WeakPolarHBondContact O-CA 3.37Å; L767-N791 PolarHBondContact O-N 3.06Å |
| 768 | D | 94 | Very high | 88.4 | Confident | 24 Ų | 24 | 26.3 Ų | 26.3 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.8 | 167.8 | -158.4 | -44.7 | 0 | 0 | 0 | 110.2 | L697 L698 L699 A700 S770 N791 | L697-D768 PolarHBondContact O-N 2.85Å; L697-D768 VanDerWaalsContact O-N 3.15Å; L698-D768 HydrophobicContact CD2-CB 3.88Å; L699-D768 CarbonylContact C-O 3.6Å; L699-D768 WeakPolarHBondContact CA-O 3.48Å; L699-D768 WeakPolarHBondContact CB-O 3.17Å; L699-D768 PolarHBondContact N-O 2.98Å; A700-D768 PolarHBondContact N-O 3.18Å; D768-S770 VanDerWaalsContact OD1-CB 3.3Å; D768-S770 WeakPolarHBondContact OD1-CB 3.27Å; D768-S770 PolarHBondContact OD1-N 3.46Å; D768-S770 PolarHBondContact OD1-OG 3.15Å; D768-N791 HydrophobicContact CB-CB 4.3Å; D768-N791 VanDerWaalsContact CG-ND2 3.35Å; D768-N791 PolarHBondContact OD1-ND2 2.82Å; D768-N791 WeakPolarHBondContact OD2-CB 3.35Å; D768-N791 PolarHBondContact OD2-ND2 3.09Å |
| 769 | V | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -130.5 | 27.6 | 174.9 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | W623 L699 L704 I707 L767 N772 I774 N791 L792 N795 | W623-V769 HydrophobicContact CZ2-CG1 4.17Å; L699-V769 HydrophobicContact CB-CG1 4.12Å; L699-V769 HydrophobicContact CD1-CG1 4.39Å; L704-V769 HydrophobicContact CD1-CG1 4.3Å; I707-V769 HydrophobicContact CD1-CG2 4.37Å; L767-V769 HydrophobicContact CD1-CG1 3.86Å; L767-V769 HydrophobicContact CG-CG1 4.07Å; V769-N772 PolarHBondContact O-ND2 2.97Å; V769-I774 HydrophobicContact CB-CD1 3.81Å; V769-I774 HydrophobicContact CG2-CD1 3.76Å; V769-N791 CarbonylContact C-O 3.49Å; V769-N791 WeakPolarHBondContact CG2-O 3.45Å; V769-N791 PolarHBondContact N-O 3.38Å; V769-L792 HydrophobicContact CG2-CD2 3.83Å; V769-N795 PolarHBondContact O-ND2 3.05Å | ||
| 770 | S | 92.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | trans | -65.8 | 158.6 | 176 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | A700 D701 D768 N772 N791 S793 | A700-S770 WeakPolarHBondContact CA-O 3.46Å; D701-S770 PolarHBondContact N-O 3.18Å; D768-S770 VanDerWaalsContact OD1-CB 3.3Å; D768-S770 WeakPolarHBondContact OD1-CB 3.27Å; D768-S770 PolarHBondContact OD1-N 3.46Å; D768-S770 PolarHBondContact OD1-OG 3.15Å; S770-N772 PolarHBondContact O-N 2.72Å; S770-N772 PolarHBondContact O-ND2 2.8Å; S770-N791 WeakPolarHBondContact CB-ND2 3.39Å; S770-N791 PolarHBondContact N-O 3.45Å; S770-N791 PolarHBondContact OG-ND2 3.08Å; S770-S793 CarbonylContact C-O 3.53Å; S770-S793 WeakPolarHBondContact CA-O 3.44Å; S770-S793 VanDerWaalsContact CB-O 3.3Å; S770-S793 WeakPolarHBondContact CB-O 3.08Å; S770-S793 WeakPolarHBondContact CB-OG 3.31Å | ||
| 771 | H | 93.3 | Very high | 89.5 | Confident | 81 Ų | 81 | 28.9 Ų | 28.9 | 38% | 0.375 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 55.5 | 52.7 | 178.9 | -52.3 | 86.7 | 0 | 0 | 0 | 112.7 | D701 N702 S793 N794 | D701-H771 VanDerWaalsContact OD1-CB 3.27Å; D701-H771 WeakPolarHBondContact OD1-CB 3.25Å; D701-H771 IonicContact OD1-CG 2.84Å; N702-H771 PolarHBondContact N-O 3.36Å; H771-S793 PolarHBondContact N-O 3.01Å; H771-N794 PolarHBondContact NE2-ND2 3.38Å |
| 772 | N | 92.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -131.3 | -167.1 | 177.6 | -83.3 | -88.7 | 0 | 0 | 0 | 109.7 | L699 N702 C703 L704 V769 S770 I774 N795 | L699-N772 PolarHBondContact O-ND2 3.1Å; N702-N772 WeakPolarHBondContact CA-OD1 3.41Å; N702-N772 VanDerWaalsContact CB-OD1 3.25Å; N702-N772 WeakPolarHBondContact CB-OD1 3.41Å; C703-N772 PolarHBondContact N-OD1 3.24Å; C703-N772 VanDerWaalsContact N-OD1 3.16Å; L704-N772 HydrophobicContact CB-CB 4.23Å; L704-N772 VanDerWaalsContact CB-OD1 3.3Å; L704-N772 WeakPolarHBondContact CB-OD1 3.35Å; L704-N772 WeakPolarHBondContact CG-OD1 3.24Å; L704-N772 PolarHBondContact N-OD1 3.02Å; V769-N772 PolarHBondContact O-ND2 2.97Å; S770-N772 PolarHBondContact O-N 2.72Å; S770-N772 PolarHBondContact O-ND2 2.8Å; N772-I774 HydrophobicContact CB-CD1 4.31Å; N772-I774 HydrophobicContact CB-CG1 4.23Å; N772-N795 WeakPolarHBondContact CA-OD1 3.44Å; N772-N795 WeakPolarHBondContact CB-OD1 2.96Å; N772-N795 PolarHBondContact O-OD1 3.17Å |
| 773 | F | 90.9 | Very high | 89.3 | Confident | 100 Ų | 100 | 27.6 Ų | 27.6 | 44% | 0.439 | 16% | 0.155 | S | C | . | . | trans | -119.5 | 27.5 | -176.4 | -59.3 | -72.1 | 0 | 0 | 0 | 113.8 | C703 L704 N795 | C703-F773 HydrophobicContact CB-CD2 4.4Å; C703-F773 HydrophobicContact CB-CE2 4.36Å; L704-F773 CarbonylContact O-C 3.57Å; L704-F773 VanDerWaalsContact O-C 3.25Å; L704-F773 VanDerWaalsContact O-CA 3.31Å; L704-F773 WeakPolarHBondContact O-CA 3.36Å; L704-F773 PolarHBondContact O-N 3.39Å; F773-N795 PolarHBondContact N-OD1 2.86Å | ||
| 774 | I | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -64.5 | 130.9 | -172.8 | -58.2 | 167.5 | 0 | 0 | 0 | 110.7 | L704 E705 I707 V769 N772 A776 N795 L798 | L704-I774 HydrophobicContact CB-CG1 4.37Å; L704-I774 PolarHBondContact O-N 2.92Å; E705-I774 WeakPolarHBondContact O-CA 3.24Å; I707-I774 HydrophobicContact CD1-CD1 4.19Å; I707-I774 HydrophobicContact CD1-CG2 4.29Å; I707-I774 HydrophobicContact CG1-CD1 3.9Å; I707-I774 HydrophobicContact CG1-CG2 4.08Å; V769-I774 HydrophobicContact CB-CD1 3.81Å; V769-I774 HydrophobicContact CG2-CD1 3.76Å; N772-I774 HydrophobicContact CB-CD1 4.31Å; N772-I774 HydrophobicContact CB-CG1 4.23Å; I774-A776 WeakPolarHBondContact CG2-O 3.3Å; I774-N795 HydrophobicContact CB-CB 4.27Å; I774-N795 WeakPolarHBondContact CB-OD1 3.47Å; I774-N795 VanDerWaalsContact CG1-OD1 3.3Å; I774-N795 WeakPolarHBondContact CG1-OD1 3.45Å; I774-N795 PolarHBondContact N-OD1 3.41Å; I774-L798 HydrophobicContact CB-CD1 4.34Å; I774-L798 HydrophobicContact CG2-CD1 3.61Å; I774-L798 PolarHBondContact O-N 2.85Å | ||
| 775 | D | 87.2 | Confident | 88.9 | Confident | 79 Ų | 79 | 28.4 Ų | 28.4 | 42% | 0.422 | 16% | 0.158 | S | C | . | . | trans | -104.8 | -32.1 | 179.7 | 53.6 | 23.8 | 0 | 0 | 0 | 115 | E705 K797 | E705-D775 PolarHBondContact O-N 3.27Å; D775-K797 HydrophobicContact CB-CB 3.87Å; D775-K797 HydrophobicContact CB-CD 3.91Å | ||
| 776 | A | 85.6 | Confident | 88.6 | Confident | 49 Ų | 49 | 28 Ų | 28 | 41% | 0.405 | 15% | 0.154 | S | C | . | . | trans | -139 | 154.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I774 | I774-A776 WeakPolarHBondContact CG2-O 3.3Š| ||
| 777 | I | 88.4 | Confident | 88.4 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | trans | -107.4 | 129.8 | 170.1 | -51.4 | -173.5 | 0 | 0 | 0 | 108.4 | I707 I781 L792 L798 L801 P802 M805 | I707-I777 HydrophobicContact CD1-CG1 4.21Å; I707-I777 HydrophobicContact CD1-CG2 4.39Å; I777-I781 HydrophobicContact CG2-CB 4.19Å; I777-I781 HydrophobicContact CG2-CD1 3.68Å; I777-I781 HydrophobicContact CG2-CG2 3.95Å; I777-L792 HydrophobicContact CD1-CD1 3.57Å; I777-L792 HydrophobicContact CD1-CD2 3.83Å; I777-L792 HydrophobicContact CD1-CG 4.38Å; I777-L792 HydrophobicContact CG1-CD2 4.49Å; I777-L798 HydrophobicContact CD1-CD2 3.9Å; I777-L798 HydrophobicContact CG1-CD1 3.87Å; I777-L798 HydrophobicContact CG1-CD2 4Å; I777-L798 HydrophobicContact CG1-CG 4.5Å; I777-L801 HydrophobicContact CD1-CD2 3.73Å; I777-P802 HydrophobicContact CB-CG 4.18Å; I777-P802 HydrophobicContact CG2-CG 4.1Å; I777-M805 HydrophobicContact CD1-SD 4.2Å; I777-M805 HydrophobicContact CG2-SD 4.47Å | ||
| 778 | P | 86.9 | Confident | 88.1 | Confident | 20 Ų | 20 | 26.9 Ų | 26.9 | 13% | 0.13 | 15% | 0.151 | C | C | . | . | trans | -75.1 | 145.3 | 178.7 | 32.3 | -36.6 | 0 | 0 | 0 | 111.7 | I707 I709 S780 I781 | I707-P778 HydrophobicContact CB-CG 4.48Å; I707-P778 HydrophobicContact CG2-CG 4.31Å; I709-P778 HydrophobicContact CD1-CG 4.46Å; P778-S780 WeakPolarHBondContact CB-OG 3Å; P778-S780 PolarHBondContact O-N 3.4Å; P778-S780 VanDerWaalsContact O-N 3.1Å; P778-I781 VanDerWaalsContact O-CG2 3.3Å; P778-I781 WeakPolarHBondContact O-CG2 3.47Å; P778-I781 PolarHBondContact O-N 3.38Å; P778-I781 VanDerWaalsContact O-N 3.17Å | ||
| 779 | P | 80.7 | Confident | 88 | Confident | 70 Ų | 70 | 26 Ų | 26 | 46% | 0.455 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -54.2 | -27.9 | 173.9 | -29.2 | 37 | 0 | 0 | 0 | 114.5 | I781 A782 P802 E804 | P779-I781 PolarHBondContact O-N 3.04Å; P779-A782 WeakPolarHBondContact O-CB 3.32Å; P779-A782 PolarHBondContact O-N 3.46Å; P779-P802 HydrophobicContact CB-CB 4.48Å; P779-P802 HydrophobicContact CG-CB 4.31Å; P779-E804 HydrophobicContact CB-CB 4.34Å; P779-E804 HydrophobicContact CB-CG 3.94Å |
| 780 | S | 83.8 | Confident | 88.1 | Confident | 10 Ų | 10 | 26 Ų | 26 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -58.3 | -16.5 | 178.3 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | D713 P778 A782 A783 | D713-S780 PolarHBondContact OD2-OG 2.9Å; P778-S780 WeakPolarHBondContact CB-OG 3Å; P778-S780 PolarHBondContact O-N 3.4Å; P778-S780 VanDerWaalsContact O-N 3.1Å; S780-A782 PolarHBondContact O-N 3.47Å; S780-A782 VanDerWaalsContact O-N 3.13Å; S780-A783 WeakPolarHBondContact O-CB 3.34Å; S780-A783 PolarHBondContact O-N 3.37Å; S780-A783 VanDerWaalsContact O-N 3.1Å |
| 781 | I | 88.1 | Confident | 88 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -55.4 | -29.1 | 174.1 | -163.9 | 164.4 | 0 | 0 | 0 | 113.6 | I709 I777 P778 P779 A783 L784 L790 P802 M805 | I709-I781 VanDerWaalsContact CD1-CA 3.46Å; I709-I781 HydrophobicContact CD1-CB 3.57Å; I709-I781 HydrophobicContact CD1-CD1 4.22Å; I709-I781 HydrophobicContact CD1-CG1 3.63Å; I777-I781 HydrophobicContact CG2-CB 4.19Å; I777-I781 HydrophobicContact CG2-CD1 3.68Å; I777-I781 HydrophobicContact CG2-CG2 3.95Å; P778-I781 VanDerWaalsContact O-CG2 3.3Å; P778-I781 WeakPolarHBondContact O-CG2 3.47Å; P778-I781 PolarHBondContact O-N 3.38Å; P778-I781 VanDerWaalsContact O-N 3.17Å; P779-I781 PolarHBondContact O-N 3.04Å; I781-A783 PolarHBondContact O-N 2.83Å; I781-L784 HydrophobicContact CG1-CD1 4.41Å; I781-L784 WeakPolarHBondContact O-CB 3.07Å; I781-L784 PolarHBondContact O-N 2.85Å; I781-L784 VanDerWaalsContact O-N 3.11Å; I781-L790 HydrophobicContact CD1-CD2 3.83Å; I781-P802 HydrophobicContact CG2-CG 4.28Å; I781-M805 HydrophobicContact CG2-CG 3.45Å; I781-M805 VanDerWaalsContact CG2-CG 3.45Å; I781-M805 HydrophobicContact CG2-SD 4.37Å |
| 782 | A | 83.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -62.9 | -19.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F752 P779 S780 L784 E804 L807 | F752-A782 HydrophobicContact CE1-CB 3.81Å; F752-A782 HydrophobicContact CZ-CB 4.12Å; P779-A782 WeakPolarHBondContact O-CB 3.32Å; P779-A782 PolarHBondContact O-N 3.46Å; S780-A782 PolarHBondContact O-N 3.47Å; S780-A782 VanDerWaalsContact O-N 3.13Å; A782-L784 VanDerWaalsContact C-N 3.26Å; A782-L784 PolarHBondContact O-N 3.11Å; A782-E804 HydrophobicContact CB-CB 3.63Å; A782-E804 WeakPolarHBondContact CB-O 3.5Å; A782-L807 HydrophobicContact CB-CB 4.33Å; A782-L807 HydrophobicContact CB-CD1 4.19Å |
| 783 | A | 84.4 | Confident | 87.8 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -72.2 | -19.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L755 V759 S780 I781 Q785 | L755-A783 HydrophobicContact CD2-CB 4.24Å; V759-A783 HydrophobicContact CG2-CB 3.48Å; V759-A783 VanDerWaalsContact CG2-CB 3.48Å; S780-A783 WeakPolarHBondContact O-CB 3.34Å; S780-A783 PolarHBondContact O-N 3.37Å; S780-A783 VanDerWaalsContact O-N 3.1Å; I781-A783 PolarHBondContact O-N 2.83Å; A783-Q785 PolarHBondContact O-N 3.22Å |
| 784 | L | 87.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -77.3 | 58.4 | 177 | -59.2 | 177.9 | 0 | 0 | 0 | 112.2 | I709 V759 F761 L764 I781 A782 C786 L787 L808 | I709-L784 HydrophobicContact CD1-CD1 3.92Å; I709-L784 HydrophobicContact CG1-CD1 4.44Å; I709-L784 HydrophobicContact CG2-CD1 4.25Å; I709-L784 HydrophobicContact CG2-CD2 4.26Å; I709-L784 HydrophobicContact CG2-CG 4.12Å; V759-L784 HydrophobicContact CG1-CD2 3.74Å; F761-L784 HydrophobicContact CD2-CD1 4.44Å; F761-L784 HydrophobicContact CD2-CD2 3.87Å; F761-L784 HydrophobicContact CE2-CD1 4.05Å; F761-L784 HydrophobicContact CE2-CD2 4.14Å; F761-L784 VanDerWaalsContact O-CD2 3.28Å; F761-L784 WeakPolarHBondContact O-CD2 3.28Å; L764-L784 HydrophobicContact CB-CD2 4.4Å; I781-L784 HydrophobicContact CG1-CD1 4.41Å; I781-L784 WeakPolarHBondContact O-CB 3.07Å; I781-L784 PolarHBondContact O-N 2.85Å; I781-L784 VanDerWaalsContact O-N 3.11Å; A782-L784 VanDerWaalsContact C-N 3.26Å; A782-L784 PolarHBondContact O-N 3.11Å; L784-C786 PolarHBondContact O-N 3.47Å; L784-L787 HydrophobicContact CB-CB 4.16Å; L784-L787 HydrophobicContact CD1-CD2 4.49Å; L784-L787 WeakPolarHBondContact O-CB 3.45Å; L784-L787 PolarHBondContact O-N 3.24Å; L784-L808 VanDerWaalsContact O-CD2 3.28Å; L784-L808 WeakPolarHBondContact O-CD2 3.41Å | ||
| 785 | Q | 83.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 21.6 Ų | 21.6 | 32% | 0.318 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -9.2 | -174.5 | -68 | -179.3 | -2.8 | 0 | 0 | 115.1 | A783 R810 | A783-Q785 PolarHBondContact O-N 3.22Å; Q785-R810 WeakPolarHBondContact O-CD 3.44Å |
| 786 | C | 86.9 | Confident | 87.6 | Confident | 28 Ų | 28 | 21.9 Ų | 21.9 | 19% | 0.189 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.6 | 169.7 | -71.8 | 0 | 0 | 0 | 0 | 113.8 | N763 L764 S765 L784 A788 | N763-C786 WeakPolarHBondContact O-CB 3.19Å; L764-C786 CarbonylContact O-C 3.1Å; L764-C786 VanDerWaalsContact O-C 3.24Å; L764-C786 VanDerWaalsContact O-CB 3.27Å; L764-C786 WeakPolarHBondContact O-CB 3.32Å; S765-C786 WeakPolarHBondContact CA-O 3.5Å; L784-C786 PolarHBondContact O-N 3.47Å; C786-A788 PolarHBondContact O-N 3.04Å |
| 787 | L | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -66.5 | 115.7 | -169.3 | -162.5 | 70.3 | 0 | 0 | 0 | 111.6 | L764 L767 L784 L790 L808 R810 L811 | L764-L787 HydrophobicContact CD2-CD1 4.29Å; L764-L787 HydrophobicContact CG-CD1 4.46Å; L764-L787 WeakPolarHBondContact O-CA 3.45Å; L764-L787 PolarHBondContact O-N 2.92Å; L764-L787 VanDerWaalsContact O-N 3.09Å; L767-L787 HydrophobicContact CB-CD1 4.01Å; L784-L787 HydrophobicContact CB-CB 4.16Å; L784-L787 HydrophobicContact CD1-CD2 4.49Å; L784-L787 WeakPolarHBondContact O-CB 3.45Å; L784-L787 PolarHBondContact O-N 3.24Å; L787-L790 HydrophobicContact CD2-CB 4.16Å; L787-L790 HydrophobicContact CD2-CD1 4.5Å; L787-L790 HydrophobicContact CD2-CD2 4.2Å; L787-L808 HydrophobicContact CD2-CD1 4.33Å; L787-R810 CarbonylContact O-C 3.58Å; L787-L811 HydrophobicContact CB-CD1 4.38Å; L787-L811 HydrophobicContact CD2-CD1 4.1Å; L787-L811 HydrophobicContact CG-CD1 3.87Å; L787-L811 WeakPolarHBondContact O-CA 3.29Å; L787-L811 PolarHBondContact O-N 2.69Å | ||
| 788 | A | 88.6 | Confident | 87.5 | Confident | 12 Ų | 12 | 24.1 Ų | 24.1 | 10% | 0.099 | 14% | 0.136 | C | C | . | . | trans | -107.5 | -37.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S765 C786 R810 W812 N813 | S765-A788 PolarHBondContact O-N 3.27Å; C786-A788 PolarHBondContact O-N 3.04Å; A788-R810 WeakPolarHBondContact CA-O 3.2Å; A788-W812 PolarHBondContact O-N 3.29Å; A788-N813 PolarHBondContact O-N 2.97Å | ||
| 789 | T | 92.4 | Very high | 87.3 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.8 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | S765 M766 L767 N813 Q1869 | S765-T789 PolarHBondContact O-N 3.41Å; S765-T789 VanDerWaalsContact O-N 3.15Å; M766-T789 WeakPolarHBondContact CA-O 3.39Å; M766-T789 HydrophobicContact CE-CG2 4.07Å; M766-T789 HydrophobicContact CG-CG2 4.11Å; M766-T789 HydrophobicContact SD-CG2 4.29Å; L767-T789 PolarHBondContact N-O 2.83Å; T789-N813 WeakPolarHBondContact CA-O 3.3Å; T789-N813 HydrophobicContact CG2-CB 4.17Å; T789-Q1869 PolarHBondContact OG1-NE2 2.88Å; T789-Q1869 VanDerWaalsContact OG1-NE2 3.13Å |
| 790 | L | 93.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 111.3 | 174.1 | 176.8 | 57.6 | 0 | 0 | 0 | 109.7 | L767 I781 L787 L792 M805 L811 N813 L814 N815 | L767-L790 HydrophobicContact CB-CD1 4.04Å; L767-L790 HydrophobicContact CD2-CD1 3.92Å; L767-L790 HydrophobicContact CG-CD1 4.09Å; L767-L790 WeakPolarHBondContact O-CA 3.37Å; I781-L790 HydrophobicContact CD1-CD2 3.83Å; L787-L790 HydrophobicContact CD2-CB 4.16Å; L787-L790 HydrophobicContact CD2-CD1 4.5Å; L787-L790 HydrophobicContact CD2-CD2 4.2Å; L790-L792 HydrophobicContact CD1-CD2 4.46Å; L790-L792 HydrophobicContact CD1-CG 4.19Å; L790-L792 HydrophobicContact CD2-CD1 3.91Å; L790-L792 HydrophobicContact CD2-CG 4.42Å; L790-L792 HydrophobicContact CG-CD1 3.97Å; L790-L792 HydrophobicContact CG-CG 4.02Å; L790-M805 HydrophobicContact CD2-CE 3.92Å; L790-L811 HydrophobicContact CB-CD1 3.7Å; L790-L811 HydrophobicContact CB-CD2 4.37Å; L790-L811 HydrophobicContact CD2-CD2 4.49Å; L790-N813 PolarHBondContact N-O 3.38Å; L790-L814 HydrophobicContact CB-CD1 4.05Å; L790-L814 HydrophobicContact CD2-CD1 3.88Å; L790-L814 HydrophobicContact CG-CD1 3.95Å; L790-L814 WeakPolarHBondContact O-CA 3.43Å; L790-N815 PolarHBondContact O-N 2.99Å; L790-N815 VanDerWaalsContact O-N 3.14Å |
| 791 | N | 92.1 | Very high | 87.5 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 114.3 | 175.9 | -173.9 | 10.6 | 0 | 0 | 0 | 110.4 | L767 D768 V769 S770 S793 N815 | L767-N791 PolarHBondContact O-N 3.06Å; D768-N791 HydrophobicContact CB-CB 4.3Å; D768-N791 VanDerWaalsContact CG-ND2 3.35Å; D768-N791 PolarHBondContact OD1-ND2 2.82Å; D768-N791 WeakPolarHBondContact OD2-CB 3.35Å; D768-N791 PolarHBondContact OD2-ND2 3.09Å; V769-N791 CarbonylContact C-O 3.49Å; V769-N791 WeakPolarHBondContact CG2-O 3.45Å; V769-N791 PolarHBondContact N-O 3.38Å; S770-N791 WeakPolarHBondContact CB-ND2 3.39Å; S770-N791 PolarHBondContact N-O 3.45Å; S770-N791 PolarHBondContact OG-ND2 3.08Å; N791-S793 WeakPolarHBondContact OD1-CB 3.35Å; N791-S793 PolarHBondContact OD1-N 3.26Å; N791-S793 VanDerWaalsContact OD1-N 3.14Å; N791-S793 PolarHBondContact OD1-OG 2.78Å; N791-N815 WeakPolarHBondContact OD1-CB 3.34Å; N791-N815 PolarHBondContact OD1-ND2 2.88Å; N791-N815 VanDerWaalsContact OD1-ND2 3.16Å |
| 792 | L | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -111.8 | 2.1 | 179.2 | -70.5 | 156.9 | 0 | 0 | 0 | 111.9 | I707 V769 I777 L790 N795 L814 N815 L816 L819 | I707-L792 HydrophobicContact CD1-CD2 3.95Å; V769-L792 HydrophobicContact CG2-CD2 3.83Å; I777-L792 HydrophobicContact CD1-CD1 3.57Å; I777-L792 HydrophobicContact CD1-CD2 3.83Å; I777-L792 HydrophobicContact CD1-CG 4.38Å; I777-L792 HydrophobicContact CG1-CD2 4.49Å; L790-L792 HydrophobicContact CD1-CD2 4.46Å; L790-L792 HydrophobicContact CD1-CG 4.19Å; L790-L792 HydrophobicContact CD2-CD1 3.91Å; L790-L792 HydrophobicContact CD2-CG 4.42Å; L790-L792 HydrophobicContact CG-CD1 3.97Å; L790-L792 HydrophobicContact CG-CG 4.02Å; L792-N795 PolarHBondContact O-ND2 2.96Å; L792-L814 HydrophobicContact CD1-CD1 3.88Å; L792-N815 CarbonylContact C-O 3.6Å; L792-N815 PolarHBondContact N-O 2.93Å; L792-L816 HydrophobicContact CB-CD2 4.03Å; L792-L816 HydrophobicContact CD1-CD2 3.57Å; L792-L816 HydrophobicContact CG-CD2 4.43Å; L792-L819 HydrophobicContact CB-CD1 4.32Å; L792-L819 WeakPolarHBondContact O-CD2 3.31Å | ||
| 793 | S | 90.4 | Very high | 87.1 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 148.4 | -168 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | S770 H771 N791 N795 N815 T817 | S770-S793 CarbonylContact C-O 3.53Å; S770-S793 WeakPolarHBondContact CA-O 3.44Å; S770-S793 VanDerWaalsContact CB-O 3.3Å; S770-S793 WeakPolarHBondContact CB-O 3.08Å; S770-S793 WeakPolarHBondContact CB-OG 3.31Å; H771-S793 PolarHBondContact N-O 3.01Å; N791-S793 WeakPolarHBondContact OD1-CB 3.35Å; N791-S793 PolarHBondContact OD1-N 3.26Å; N791-S793 VanDerWaalsContact OD1-N 3.14Å; N791-S793 PolarHBondContact OD1-OG 2.78Å; S793-N795 PolarHBondContact O-N 3.08Å; S793-N795 PolarHBondContact O-ND2 2.88Å; S793-N815 WeakPolarHBondContact CB-ND2 3.44Å; S793-N815 PolarHBondContact N-O 3.33Å; S793-N815 PolarHBondContact OG-ND2 2.92Å; S793-T817 CarbonylContact C-O 3.41Å; S793-T817 WeakPolarHBondContact CA-O 3.48Å; S793-T817 WeakPolarHBondContact CB-O 3.47Å; S793-T817 WeakPolarHBondContact CB-OG1 3.42Å |
| 794 | N | 90.3 | Very high | 87.1 | Confident | 69 Ų | 69 | 31 Ų | 31 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 42.7 | -178.5 | -63 | -30.9 | 0 | 0 | 0 | 114.5 | H771 P796 T817 | H771-N794 PolarHBondContact NE2-ND2 3.38Å; N794-P796 VanDerWaalsContact O-CD 3.29Å; N794-P796 WeakPolarHBondContact O-CD 3.25Å; N794-T817 PolarHBondContact N-O 3.4Å |
| 795 | N | 89.8 | Confident | 87 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -107.3 | 77.3 | 164.7 | -78 | -86.7 | 0 | 0 | 0 | 110.4 | V769 N772 F773 I774 L792 S793 K797 L798 L819 | V769-N795 PolarHBondContact O-ND2 3.05Å; N772-N795 WeakPolarHBondContact CA-OD1 3.44Å; N772-N795 WeakPolarHBondContact CB-OD1 2.96Å; N772-N795 PolarHBondContact O-OD1 3.17Å; F773-N795 PolarHBondContact N-OD1 2.86Å; I774-N795 HydrophobicContact CB-CB 4.27Å; I774-N795 WeakPolarHBondContact CB-OD1 3.47Å; I774-N795 VanDerWaalsContact CG1-OD1 3.3Å; I774-N795 WeakPolarHBondContact CG1-OD1 3.45Å; I774-N795 PolarHBondContact N-OD1 3.41Å; L792-N795 PolarHBondContact O-ND2 2.96Å; S793-N795 PolarHBondContact O-N 3.08Å; S793-N795 PolarHBondContact O-ND2 2.88Å; N795-K797 PolarHBondContact O-N 2.91Å; N795-L798 PolarHBondContact O-N 3.28Å; N795-L819 HydrophobicContact CB-CD2 3.79Å; N795-L819 WeakPolarHBondContact O-CD2 3.39Å | ||
| 796 | P | 82.7 | Confident | 86.6 | Confident | 84 Ų | 84 | 27.8 Ų | 27.8 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -2.7 | -161.5 | 27.8 | -37.6 | 0 | 0 | 0 | 116.4 | N794 | N794-P796 VanDerWaalsContact O-CD 3.29Å; N794-P796 WeakPolarHBondContact O-CD 3.25Å |
| 797 | K | 84.4 | Confident | 86.2 | Confident | 108 Ų | 108 | 27.7 Ų | 27.7 | 47% | 0.47 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -20.6 | 171.8 | -66.7 | -175.3 | -172.6 | 167.6 | 0 | 113.3 | D775 N795 S799 | D775-K797 HydrophobicContact CB-CB 3.87Å; D775-K797 HydrophobicContact CB-CD 3.91Å; N795-K797 PolarHBondContact O-N 2.91Å; K797-S799 PolarHBondContact O-N 3.21Å |
| 798 | L | 86.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -70.7 | 117.8 | -171.5 | -152.2 | 99.2 | 0 | 0 | 0 | 111.1 | I774 I777 N795 L801 L819 N820 L821 | I774-L798 HydrophobicContact CB-CD1 4.34Å; I774-L798 HydrophobicContact CG2-CD1 3.61Å; I774-L798 PolarHBondContact O-N 2.85Å; I777-L798 HydrophobicContact CD1-CD2 3.9Å; I777-L798 HydrophobicContact CG1-CD1 3.87Å; I777-L798 HydrophobicContact CG1-CD2 4Å; I777-L798 HydrophobicContact CG1-CG 4.5Å; N795-L798 PolarHBondContact O-N 3.28Å; L798-L801 HydrophobicContact CD2-CD2 3.97Å; L798-L819 HydrophobicContact CB-CD1 4.34Å; L798-L819 HydrophobicContact CB-CD2 4.12Å; L798-L819 HydrophobicContact CD2-CD1 3.73Å; L798-N820 PolarHBondContact O-N 2.94Å; L798-L821 HydrophobicContact CD2-CD2 4.49Å | ||
| 799 | S | 82.8 | Confident | 85 | Confident | 59 Ų | 59 | 29.9 Ų | 29.9 | 41% | 0.413 | 17% | 0.174 | S | C | . | . | trans | -117.9 | -14.2 | -172.2 | 56 | 0 | 0 | 0 | 0 | 115.4 | K797 N820 L821 A822 | K797-S799 PolarHBondContact O-N 3.21Å; S799-N820 WeakPolarHBondContact CA-O 3.38Å; S799-L821 CarbonylContact O-C 3.56Å; S799-L821 WeakPolarHBondContact O-CA 3.39Å; S799-A822 PolarHBondContact O-N 3.06Å | ||
| 800 | T | 83 | Confident | 84.5 | Confident | 80 Ų | 80 | 35.6 Ų | 35.6 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | trans | -144.5 | 153.1 | 179 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | A822 | T800-A822 HydrophobicContact CG2-CB 4.27Š| ||
| 801 | L | 86.3 | Confident | 83.9 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | trans | -112.4 | 138.5 | 171 | -58.6 | 178 | 0 | 0 | 0 | 110 | I777 L798 M805 L816 L821 L825 I839 L843 | I777-L801 HydrophobicContact CD1-CD2 3.73Å; L798-L801 HydrophobicContact CD2-CD2 3.97Å; L801-M805 HydrophobicContact CB-SD 4.4Å; L801-M805 HydrophobicContact CD2-SD 4.32Å; L801-L816 HydrophobicContact CD1-CD1 3.87Å; L801-L821 HydrophobicContact CG-CD2 4.44Å; L801-L825 HydrophobicContact CB-CD1 4.12Å; L801-L825 HydrophobicContact CD1-CD1 4.12Å; L801-L825 HydrophobicContact CG-CD1 4.16Å; L801-I839 HydrophobicContact CD1-CG2 4.37Å; L801-L843 HydrophobicContact CB-CD1 4.38Å; L801-L843 HydrophobicContact CD1-CD1 4.39Å | ||
| 802 | P | 85.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | trans | -66.6 | 143.3 | 173.6 | 25.5 | -31.9 | 0 | 0 | 0 | 111.7 | I777 P779 I781 E804 M805 | I777-P802 HydrophobicContact CB-CG 4.18Å; I777-P802 HydrophobicContact CG2-CG 4.1Å; P779-P802 HydrophobicContact CB-CB 4.48Å; P779-P802 HydrophobicContact CG-CB 4.31Å; I781-P802 HydrophobicContact CG2-CG 4.28Å; P802-E804 VanDerWaalsContact CB-OE2 3.23Å; P802-E804 WeakPolarHBondContact CB-OE2 3.42Å; P802-E804 PolarHBondContact O-N 3.4Å; P802-M805 HydrophobicContact CG-CG 4.11Å; P802-M805 HydrophobicContact CG-SD 4.19Å; P802-M805 PolarHBondContact O-N 2.91Å | ||
| 803 | A | 76.5 | Confident | 83.1 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -63.3 | -28.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | M805 G806 L843 I846 | A803-M805 PolarHBondContact O-N 3.18Å; A803-G806 PolarHBondContact O-N 2.88Å; A803-L843 CarbonylContact O-C 3.43Å; A803-I846 HydrophobicContact CB-CB 4.14Å; A803-I846 HydrophobicContact CB-CG2 3.92Å |
| 804 | E | 84.2 | Confident | 82.9 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -62.4 | -27.2 | -176.6 | -62.3 | 71.8 | -157.8 | 0 | 0 | 112 | P779 A782 P802 G806 L807 | P779-E804 HydrophobicContact CB-CB 4.34Å; P779-E804 HydrophobicContact CB-CG 3.94Å; A782-E804 HydrophobicContact CB-CB 3.63Å; A782-E804 WeakPolarHBondContact CB-O 3.5Å; P802-E804 VanDerWaalsContact CB-OE2 3.23Å; P802-E804 WeakPolarHBondContact CB-OE2 3.42Å; P802-E804 PolarHBondContact O-N 3.4Å; E804-G806 PolarHBondContact O-N 2.97Å; E804-L807 WeakPolarHBondContact O-CB 3.26Å; E804-L807 PolarHBondContact O-N 2.78Å |
| 805 | M | 85.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -54 | -24.5 | 170.7 | -81.2 | 178 | 68.9 | 0 | 0 | 112.9 | I777 I781 L790 L801 P802 A803 L807 L808 L811 L814 I840 L843 | I777-M805 HydrophobicContact CD1-SD 4.2Å; I777-M805 HydrophobicContact CG2-SD 4.47Å; I781-M805 HydrophobicContact CG2-CG 3.45Å; I781-M805 VanDerWaalsContact CG2-CG 3.45Å; I781-M805 HydrophobicContact CG2-SD 4.37Å; L790-M805 HydrophobicContact CD2-CE 3.92Å; L801-M805 HydrophobicContact CB-SD 4.4Å; L801-M805 HydrophobicContact CD2-SD 4.32Å; P802-M805 HydrophobicContact CG-CG 4.11Å; P802-M805 HydrophobicContact CG-SD 4.19Å; P802-M805 PolarHBondContact O-N 2.91Å; A803-M805 PolarHBondContact O-N 3.18Å; M805-L807 PolarHBondContact O-N 3.15Å; M805-L807 VanDerWaalsContact O-N 3.09Å; M805-L808 HydrophobicContact CB-CD1 4.39Å; M805-L808 HydrophobicContact CG-CD1 4.23Å; M805-L808 WeakPolarHBondContact O-CB 3.37Å; M805-L808 WeakPolarHBondContact O-CG 3.38Å; M805-L808 PolarHBondContact O-N 3.33Å; M805-L811 HydrophobicContact CE-CD2 4.37Å; M805-L814 HydrophobicContact CE-CD1 4.1Å; M805-L814 HydrophobicContact CE-CD2 4.07Å; M805-I840 WeakPolarHBondContact O-CD1 3.45Å; M805-L843 HydrophobicContact CB-CD1 3.99Å |
| 806 | G | 76.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -58.9 | -16 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | A803 E804 L808 I840 K844 | A803-G806 PolarHBondContact O-N 2.88Å; E804-G806 PolarHBondContact O-N 2.97Å; G806-L808 VanDerWaalsContact C-N 3.34Å; G806-I840 WeakPolarHBondContact CA-O 3.45Å; G806-K844 WeakPolarHBondContact O-CB 3.4Å; G806-K844 WeakPolarHBondContact O-CD 3.46Å; G806-K844 WeakPolarHBondContact O-CG 3.33Å |
| 807 | L | 77.9 | Confident | 82.4 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -79.5 | -13.6 | 174.5 | -63.6 | 172.5 | 0 | 0 | 0 | 113.6 | F752 A782 E804 M805 S809 L847 | F752-L807 HydrophobicContact CD2-CD1 4.29Å; F752-L807 HydrophobicContact CE1-CD1 4.07Å; F752-L807 HydrophobicContact CE2-CD1 3.57Å; F752-L807 HydrophobicContact CZ-CD1 3.44Å; F752-L807 VanDerWaalsContact CZ-CD1 3.44Å; A782-L807 HydrophobicContact CB-CB 4.33Å; A782-L807 HydrophobicContact CB-CD1 4.19Å; E804-L807 WeakPolarHBondContact O-CB 3.26Å; E804-L807 PolarHBondContact O-N 2.78Å; M805-L807 PolarHBondContact O-N 3.15Å; M805-L807 VanDerWaalsContact O-N 3.09Å; L807-S809 VanDerWaalsContact C-N 3.26Å; L807-S809 PolarHBondContact O-N 3.24Å; L807-L847 HydrophobicContact CD1-CD1 3.81Å; L807-L847 HydrophobicContact CD2-CD1 3.87Å; L807-L847 HydrophobicContact CG-CD1 3.48Å; L807-L847 VanDerWaalsContact CG-CD1 3.48Å |
| 808 | L | 82 | Confident | 82.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -76.1 | 72.8 | -177.7 | -60.3 | 175 | 0 | 0 | 0 | 111.4 | L784 L787 M805 G806 R810 L811 I840 | L784-L808 VanDerWaalsContact O-CD2 3.28Å; L784-L808 WeakPolarHBondContact O-CD2 3.41Å; L787-L808 HydrophobicContact CD2-CD1 4.33Å; M805-L808 HydrophobicContact CB-CD1 4.39Å; M805-L808 HydrophobicContact CG-CD1 4.23Å; M805-L808 WeakPolarHBondContact O-CB 3.37Å; M805-L808 WeakPolarHBondContact O-CG 3.38Å; M805-L808 PolarHBondContact O-N 3.33Å; G806-L808 VanDerWaalsContact C-N 3.34Å; L808-R810 PolarHBondContact O-N 2.85Å; L808-L811 HydrophobicContact CB-CB 3.9Å; L808-L811 HydrophobicContact CD1-CD2 4.35Å; L808-L811 WeakPolarHBondContact O-CB 3.48Å; L808-L811 PolarHBondContact O-N 2.95Å; L808-I840 HydrophobicContact CB-CD1 4.4Å | ||
| 809 | S | 72.7 | Confident | 82 | Confident | 57 Ų | 57 | 40 Ų | 40 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -7.8 | -174.7 | 64.5 | 0 | 0 | 0 | 0 | 115.6 | L807 R1135 | L807-S809 VanDerWaalsContact C-N 3.26Å; L807-S809 PolarHBondContact O-N 3.24Å; S809-R1135 PolarHBondContact O-NH1 2.98Å |
| 810 | R | 79.9 | Confident | 81.8 | Confident | 126 Ų | 126 | 42.3 Ų | 42.3 | 48% | 0.475 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -14.5 | 171.7 | -65.1 | -170 | -177 | -132.4 | -1.1 | 113.6 | Q785 L787 A788 L808 W812 | Q785-R810 WeakPolarHBondContact O-CD 3.44Å; L787-R810 CarbonylContact O-C 3.58Å; A788-R810 WeakPolarHBondContact CA-O 3.2Å; L808-R810 PolarHBondContact O-N 2.85Å; R810-W812 PolarHBondContact O-N 2.98Å; R810-W812 VanDerWaalsContact O-N 3.1Å |
| 811 | L | 82.3 | Confident | 81.4 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -72.6 | 108.7 | -173.1 | -161.2 | 79.3 | 0 | 0 | 0 | 110.8 | L787 L790 M805 L808 L814 T836 I840 | L787-L811 HydrophobicContact CB-CD1 4.38Å; L787-L811 HydrophobicContact CD2-CD1 4.1Å; L787-L811 HydrophobicContact CG-CD1 3.87Å; L787-L811 WeakPolarHBondContact O-CA 3.29Å; L787-L811 PolarHBondContact O-N 2.69Å; L790-L811 HydrophobicContact CB-CD1 3.7Å; L790-L811 HydrophobicContact CB-CD2 4.37Å; L790-L811 HydrophobicContact CD2-CD2 4.49Å; M805-L811 HydrophobicContact CE-CD2 4.37Å; L808-L811 HydrophobicContact CB-CB 3.9Å; L808-L811 HydrophobicContact CD1-CD2 4.35Å; L808-L811 WeakPolarHBondContact O-CB 3.48Å; L808-L811 PolarHBondContact O-N 2.95Å; L811-L814 HydrophobicContact CD2-CB 4.14Å; L811-L814 HydrophobicContact CD2-CD1 4.11Å; L811-L814 HydrophobicContact CD2-CD2 4.26Å; L811-L814 HydrophobicContact CD2-CG 4.4Å; L811-T836 HydrophobicContact CG-CG2 4.42Å; L811-T836 WeakPolarHBondContact O-CG2 3.18Å; L811-I840 HydrophobicContact CB-CD1 4.24Å; L811-I840 HydrophobicContact CD2-CD1 3.9Å | ||
| 812 | W | 79.5 | Confident | 80.5 | Confident | 113 Ų | 113 | 40.6 Ų | 40.6 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | trans | -116.4 | -25 | -178.4 | 70.3 | -94.1 | 0 | 0 | 0 | 112.4 | A788 R810 T836 E1872 | A788-W812 PolarHBondContact O-N 3.29Å; R810-W812 PolarHBondContact O-N 2.98Å; R810-W812 VanDerWaalsContact O-N 3.1Å; W812-T836 WeakPolarHBondContact O-CB 3.45Å; W812-T836 PolarHBondContact O-OG1 2.89Å; W812-E1872 VanDerWaalsContact CD1-OE1 3.24Å; W812-E1872 PolarHBondContact NE1-OE1 3.49Å; W812-E1872 PolarHBondContact NE1-OE2 2.95Å | ||
| 813 | N | 85.7 | Confident | 78.7 | Confident | 61 Ų | 61 | 46 Ų | 46 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 99.3 | 176.5 | -172.9 | 6 | 0 | 0 | 0 | 109.9 | A788 T789 L790 | A788-N813 PolarHBondContact O-N 2.97Å; T789-N813 WeakPolarHBondContact CA-O 3.3Å; T789-N813 HydrophobicContact CG2-CB 4.17Å; L790-N813 PolarHBondContact N-O 3.38Å |
| 814 | L | 87.4 | Confident | 77.6 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 100.5 | 176.5 | 179.9 | 59.6 | 0 | 0 | 0 | 109.3 | L790 L792 M805 L811 L816 T836 I839 | L790-L814 HydrophobicContact CB-CD1 4.05Å; L790-L814 HydrophobicContact CD2-CD1 3.88Å; L790-L814 HydrophobicContact CG-CD1 3.95Å; L790-L814 WeakPolarHBondContact O-CA 3.43Å; L792-L814 HydrophobicContact CD1-CD1 3.88Å; M805-L814 HydrophobicContact CE-CD1 4.1Å; M805-L814 HydrophobicContact CE-CD2 4.07Å; L811-L814 HydrophobicContact CD2-CB 4.14Å; L811-L814 HydrophobicContact CD2-CD1 4.11Å; L811-L814 HydrophobicContact CD2-CD2 4.26Å; L811-L814 HydrophobicContact CD2-CG 4.4Å; L814-L816 HydrophobicContact CD1-CD2 3.65Å; L814-L816 HydrophobicContact CD1-CG 4.43Å; L814-L816 HydrophobicContact CD2-CD1 4.26Å; L814-L816 HydrophobicContact CD2-CD2 4.29Å; L814-L816 HydrophobicContact CD2-CG 4.41Å; L814-L816 HydrophobicContact CG-CD1 4.35Å; L814-L816 HydrophobicContact CG-CD2 3.73Å; L814-L816 HydrophobicContact CG-CG 3.96Å; L814-T836 HydrophobicContact CB-CG2 3.4Å; L814-T836 VanDerWaalsContact CB-CG2 3.4Å; L814-T836 HydrophobicContact CD2-CG2 4.45Å; L814-T836 PolarHBondContact N-OG1 3.3Å; L814-I839 HydrophobicContact CD2-CG2 4.38Å |
| 815 | N | 85.2 | Confident | 76.5 | Confident | 48 Ų | 48 | 44.8 Ų | 44.8 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 108.6 | -179.1 | -177.5 | 12.5 | 0 | 0 | 0 | 111 | L790 N791 L792 S793 T817 | L790-N815 PolarHBondContact O-N 2.99Å; L790-N815 VanDerWaalsContact O-N 3.14Å; N791-N815 WeakPolarHBondContact OD1-CB 3.34Å; N791-N815 PolarHBondContact OD1-ND2 2.88Å; N791-N815 VanDerWaalsContact OD1-ND2 3.16Å; L792-N815 CarbonylContact C-O 3.6Å; L792-N815 PolarHBondContact N-O 2.93Å; S793-N815 WeakPolarHBondContact CB-ND2 3.44Å; S793-N815 PolarHBondContact N-O 3.33Å; S793-N815 PolarHBondContact OG-ND2 2.92Å; N815-T817 WeakPolarHBondContact OD1-CB 3.39Å; N815-T817 WeakPolarHBondContact OD1-CG2 3.48Å; N815-T817 PolarHBondContact OD1-N 3.47Å; N815-T817 VanDerWaalsContact OD1-N 3.12Å; N815-T817 PolarHBondContact OD1-OG1 3.34Å |
| 816 | L | 84.2 | Confident | 75.4 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | trans | -110.7 | 19 | 178.2 | -47.3 | -176.1 | 0 | 0 | 0 | 112.8 | L792 L801 L814 G818 L819 L821 F829 | L792-L816 HydrophobicContact CB-CD2 4.03Å; L792-L816 HydrophobicContact CD1-CD2 3.57Å; L792-L816 HydrophobicContact CG-CD2 4.43Å; L801-L816 HydrophobicContact CD1-CD1 3.87Å; L814-L816 HydrophobicContact CD1-CD2 3.65Å; L814-L816 HydrophobicContact CD1-CG 4.43Å; L814-L816 HydrophobicContact CD2-CD1 4.26Å; L814-L816 HydrophobicContact CD2-CD2 4.29Å; L814-L816 HydrophobicContact CD2-CG 4.41Å; L814-L816 HydrophobicContact CG-CD1 4.35Å; L814-L816 HydrophobicContact CG-CD2 3.73Å; L814-L816 HydrophobicContact CG-CG 3.96Å; L816-G818 PolarHBondContact O-N 3.32Å; L816-L819 HydrophobicContact CB-CD1 3.82Å; L816-L819 HydrophobicContact CB-CG 4.23Å; L816-L819 HydrophobicContact CD2-CD1 3.86Å; L816-L819 HydrophobicContact CG-CD1 4.35Å; L816-L819 WeakPolarHBondContact O-CG 3.5Å; L816-L819 PolarHBondContact O-N 2.9Å; L816-L821 HydrophobicContact CD1-CD1 3.92Å; L816-F829 HydrophobicContact CB-CD1 4.28Å; L816-F829 HydrophobicContact CB-CD2 4.15Å; L816-F829 HydrophobicContact CB-CE1 3.8Å; L816-F829 HydrophobicContact CB-CE2 3.66Å; L816-F829 HydrophobicContact CB-CG 4.45Å; L816-F829 HydrophobicContact CB-CZ 3.49Å; L816-F829 VanDerWaalsContact CB-CZ 3.49Å; L816-F829 HydrophobicContact CD1-CD2 3.85Å; L816-F829 HydrophobicContact CD1-CE2 3.58Å; L816-F829 HydrophobicContact CD1-CZ 4.29Å; L816-F829 HydrophobicContact CG-CD2 4.3Å; L816-F829 HydrophobicContact CG-CE2 3.64Å; L816-F829 HydrophobicContact CG-CZ 3.84Å | ||
| 817 | T | 82.2 | Confident | 74.6 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 133 | 178.4 | 48.7 | 0 | 0 | 0 | 0 | 111 | S793 N794 N815 F829 | S793-T817 CarbonylContact C-O 3.41Å; S793-T817 WeakPolarHBondContact CA-O 3.48Å; S793-T817 WeakPolarHBondContact CB-O 3.47Å; S793-T817 WeakPolarHBondContact CB-OG1 3.42Å; N794-T817 PolarHBondContact N-O 3.4Å; N815-T817 WeakPolarHBondContact OD1-CB 3.39Å; N815-T817 WeakPolarHBondContact OD1-CG2 3.48Å; N815-T817 PolarHBondContact OD1-N 3.47Å; N815-T817 VanDerWaalsContact OD1-N 3.12Å; N815-T817 PolarHBondContact OD1-OG1 3.34Å; T817-F829 HydrophobicContact CG2-CE1 4.48Å |
| 818 | G | 78.9 | Confident | 73.6 | Confident | 44 Ų | 44 | 49.8 Ų | 49.8 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 16 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | L816 | L816-G818 PolarHBondContact O-N 3.32Š|
| 819 | L | 83.5 | Confident | 72.3 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | trans | -91 | 170.1 | 167.3 | -56 | -167.3 | 0 | 0 | 0 | 111.8 | L792 N795 L798 L816 L821 | L792-L819 HydrophobicContact CB-CD1 4.32Å; L792-L819 WeakPolarHBondContact O-CD2 3.31Å; N795-L819 HydrophobicContact CB-CD2 3.79Å; N795-L819 WeakPolarHBondContact O-CD2 3.39Å; L798-L819 HydrophobicContact CB-CD1 4.34Å; L798-L819 HydrophobicContact CB-CD2 4.12Å; L798-L819 HydrophobicContact CD2-CD1 3.73Å; L816-L819 HydrophobicContact CB-CD1 3.82Å; L816-L819 HydrophobicContact CB-CG 4.23Å; L816-L819 HydrophobicContact CD2-CD1 3.86Å; L816-L819 HydrophobicContact CG-CD1 4.35Å; L816-L819 WeakPolarHBondContact O-CG 3.5Å; L816-L819 PolarHBondContact O-N 2.9Å; L819-L821 HydrophobicContact CB-CD2 4.43Å; L819-L821 HydrophobicContact CB-CG 4.17Å; L819-L821 HydrophobicContact CD1-CD2 4.43Å | ||
| 820 | N | 78.9 | Confident | 71.3 | Confident | 109 Ų | 109 | 56 Ų | 56 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | trans | -133 | 69.5 | -176.3 | -168.9 | 23.5 | 0 | 0 | 0 | 110.4 | L798 S799 | L798-N820 PolarHBondContact O-N 2.94Å; S799-N820 WeakPolarHBondContact CA-O 3.38Å | ||
| 821 | L | 74.7 | Confident | 69.9 | Low | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 152.7 | -165.4 | -61.3 | 171.3 | 0 | 0 | 0 | 113.1 | L798 S799 L801 L816 L819 L825 N826 | L798-L821 HydrophobicContact CD2-CD2 4.49Å; S799-L821 CarbonylContact O-C 3.56Å; S799-L821 WeakPolarHBondContact O-CA 3.39Å; L801-L821 HydrophobicContact CG-CD2 4.44Å; L816-L821 HydrophobicContact CD1-CD1 3.92Å; L819-L821 HydrophobicContact CB-CD2 4.43Å; L819-L821 HydrophobicContact CB-CG 4.17Å; L819-L821 HydrophobicContact CD1-CD2 4.43Å; L821-L825 HydrophobicContact CB-CB 4.25Å; L821-L825 HydrophobicContact CD1-CB 4.25Å; L821-N826 WeakPolarHBondContact CB-OD1 3.41Å; L821-N826 PolarHBondContact N-OD1 3.15Å; L821-N826 VanDerWaalsContact O-CB 3.27Å; L821-N826 WeakPolarHBondContact O-CB 3.22Å; L821-N826 PolarHBondContact O-ND2 3.36Å; L821-N826 PolarHBondContact O-OD1 2.95Å |
| 822 | A | 67.7 | Low | 68.5 | Low | 49 Ų | 49 | 61.6 Ų | 61.6 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 154.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S799 T800 L825 N826 | S799-A822 PolarHBondContact O-N 3.06Å; T800-A822 HydrophobicContact CG2-CB 4.27Å; A822-L825 PolarHBondContact O-N 3.22Å; A822-N826 PolarHBondContact O-N 2.95Å |
| 823 | E | 46.8 | Very low | 67 | Low | 130 Ų | 130 | 65 Ų | 65 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 145.7 | 170.3 | -72.5 | -159.6 | -177.3 | 0 | 0 | 111.9 | K1075 | E823-K1075 IonicContact OE1-NZ 3.69Å; E823-K1075 PolarHBondContact OE1-NZ 3.4Å; E823-K1075 WeakPolarHBondContact OE2-CE 3.27Å; E823-K1075 IonicContact OE2-NZ 3.25Å; E823-K1075 PolarHBondContact OE2-NZ 2.97Å |
| 824 | P | 53.6 | Low | 65.6 | Low | 34 Ų | 34 | 63.8 Ų | 63.8 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -89.9 | 4.6 | 4.1 | 36.6 | -36.7 | 0 | 0 | 0 | 114.5 | N826 L828 Y842 K1075 | P824-N826 PolarHBondContact O-N 3.47Å; P824-L828 PolarHBondContact O-N 2.96Å; P824-Y842 HydrophobicContact CG-CE1 4.12Å; P824-Y842 HydrophobicContact CG-CE2 4.42Å; P824-Y842 WeakPolarHBondContact CG-OH 3.38Å; P824-K1075 HydrophobicContact CB-CG 4.46Å |
| 825 | L | 61.6 | Low | 64.5 | Low | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.6 | -34.3 | -174.4 | -75.7 | 166.5 | 0 | 0 | 0 | 113 | L801 L821 A822 L828 F829 I839 Y842 | L801-L825 HydrophobicContact CB-CD1 4.12Å; L801-L825 HydrophobicContact CD1-CD1 4.12Å; L801-L825 HydrophobicContact CG-CD1 4.16Å; L821-L825 HydrophobicContact CB-CB 4.25Å; L821-L825 HydrophobicContact CD1-CB 4.25Å; A822-L825 PolarHBondContact O-N 3.22Å; L825-L828 HydrophobicContact CD2-CD1 4.43Å; L825-L828 PolarHBondContact O-N 3.04Å; L825-F829 PolarHBondContact O-N 3.38Å; L825-F829 VanDerWaalsContact O-N 3.1Å; L825-I839 HydrophobicContact CD2-CG2 3.99Å; L825-Y842 HydrophobicContact CD2-CD1 4.05Å; L825-Y842 HydrophobicContact CD2-CE1 4.23Å; L825-Y842 HydrophobicContact CG-CE1 4.33Å |
| 826 | N | 62.6 | Low | 63.9 | Low | 43 Ų | 43 | 69.5 Ų | 69.5 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.4 | -52.6 | 176.4 | -122.2 | 28 | 0 | 0 | 0 | 112.2 | L821 A822 P824 L828 F829 D830 | L821-N826 WeakPolarHBondContact CB-OD1 3.41Å; L821-N826 PolarHBondContact N-OD1 3.15Å; L821-N826 VanDerWaalsContact O-CB 3.27Å; L821-N826 WeakPolarHBondContact O-CB 3.22Å; L821-N826 PolarHBondContact O-ND2 3.36Å; L821-N826 PolarHBondContact O-OD1 2.95Å; A822-N826 PolarHBondContact O-N 2.95Å; P824-N826 PolarHBondContact O-N 3.47Å; N826-L828 VanDerWaalsContact C-N 3.26Å; N826-L828 PolarHBondContact O-N 3.5Å; N826-F829 PolarHBondContact O-N 2.8Å; N826-D830 PolarHBondContact O-N 2.89Å |
| 827 | D | 59.3 | Low | 63.2 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.3 | -36.6 | 176.4 | -77.2 | 61.2 | 0 | 0 | 0 | 113.2 | F829 S831 K1075 | D827-F829 VanDerWaalsContact C-N 3.34Å; D827-S831 PolarHBondContact O-N 3.4Å; D827-K1075 IonicContact OD1-NZ 3.81Å; D827-K1075 PolarHBondContact OD1-NZ 2.95Å; D827-K1075 WeakPolarHBondContact OD2-CE 3.47Å; D827-K1075 IonicContact OD2-NZ 3.86Å; D827-K1075 PolarHBondContact OD2-NZ 2.95Å |
| 828 | L | 56.4 | Low | 62.4 | Low | 16 Ų | 16 | 74.7 Ų | 74.7 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.1 | -79.5 | 162.3 | 0 | 0 | 0 | 110.6 | P824 L825 N826 S831 C834 G1073 | P824-L828 PolarHBondContact O-N 2.96Å; L825-L828 HydrophobicContact CD2-CD1 4.43Å; L825-L828 PolarHBondContact O-N 3.04Å; N826-L828 VanDerWaalsContact C-N 3.26Å; N826-L828 PolarHBondContact O-N 3.5Å; L828-S831 PolarHBondContact O-OG 3.35Å; L828-C834 HydrophobicContact CB-CB 4.5Å; L828-C834 WeakPolarHBondContact O-CB 3.04Å; L828-G1073 VanDerWaalsContact CD2-O 3.27Å; L828-G1073 WeakPolarHBondContact CD2-O 3.2Å |
| 829 | F | 55 | Low | 62.2 | Low | 57 Ų | 57 | 72.7 Ų | 72.7 | 25% | 0.25 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.5 | -48 | -176.9 | -132.8 | -92.5 | 0 | 0 | 0 | 113.5 | L816 T817 L825 N826 D827 S831 K832 I839 | L816-F829 HydrophobicContact CB-CD1 4.28Å; L816-F829 HydrophobicContact CB-CD2 4.15Å; L816-F829 HydrophobicContact CB-CE1 3.8Å; L816-F829 HydrophobicContact CB-CE2 3.66Å; L816-F829 HydrophobicContact CB-CG 4.45Å; L816-F829 HydrophobicContact CB-CZ 3.49Å; L816-F829 VanDerWaalsContact CB-CZ 3.49Å; L816-F829 HydrophobicContact CD1-CD2 3.85Å; L816-F829 HydrophobicContact CD1-CE2 3.58Å; L816-F829 HydrophobicContact CD1-CZ 4.29Å; L816-F829 HydrophobicContact CG-CD2 4.3Å; L816-F829 HydrophobicContact CG-CE2 3.64Å; L816-F829 HydrophobicContact CG-CZ 3.84Å; T817-F829 HydrophobicContact CG2-CE1 4.48Å; L825-F829 PolarHBondContact O-N 3.38Å; L825-F829 VanDerWaalsContact O-N 3.1Å; N826-F829 PolarHBondContact O-N 2.8Å; D827-F829 VanDerWaalsContact C-N 3.34Å; F829-S831 PolarHBondContact O-N 2.7Å; F829-S831 VanDerWaalsContact O-N 3.1Å; F829-K832 PolarHBondContact O-N 3.4Å; F829-I839 HydrophobicContact CD2-CD1 3.62Å; F829-I839 HydrophobicContact CE2-CD1 3.52Å |
| 830 | D | 51.5 | Low | 61.8 | Low | 131 Ų | 131 | 72.1 Ų | 72.1 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.8 | -20.2 | -179.3 | -93 | -23.2 | 0 | 0 | 0 | 113.3 | N826 K832 | N826-D830 PolarHBondContact O-N 2.89Å; D830-K832 PolarHBondContact O-N 2.95Å; D830-K832 VanDerWaalsContact O-N 3.07Å |
| 831 | S | 51.8 | Low | 61.2 | Low | 48 Ų | 48 | 68.7 Ų | 68.7 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.2 | 175 | 77.2 | 0 | 0 | 0 | 0 | 114.9 | D827 L828 F829 K833 C834 | D827-S831 PolarHBondContact O-N 3.4Å; L828-S831 PolarHBondContact O-OG 3.35Å; F829-S831 PolarHBondContact O-N 2.7Å; F829-S831 VanDerWaalsContact O-N 3.1Å; S831-K833 PolarHBondContact O-N 3.44Å; S831-K833 PolarHBondContact OG-N 2.89Å; S831-C834 PolarHBondContact OG-N 3.14Å |
| 832 | K | 51.5 | Low | 60.9 | Low | 201 Ų | 201 | 71.8 Ų | 71.8 | 87% | 0.874 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 52.5 | 15.5 | -169.6 | -64.8 | -176.1 | 178.1 | 179.5 | 0 | 114.9 | F829 D830 | F829-K832 PolarHBondContact O-N 3.4Å; D830-K832 PolarHBondContact O-N 2.95Å; D830-K832 VanDerWaalsContact O-N 3.07Å |
| 833 | K | 49 | Very low | 61.2 | Low | 186 Ų | 186 | 69.6 Ų | 69.6 | 81% | 0.809 | 35% | 0.351 | S | S | * | . | trans | -122.2 | -17.1 | -176.4 | -73.3 | -177.9 | 178.8 | -178.4 | 0 | 114.2 | S831 | S831-K833 PolarHBondContact O-N 3.44Å; S831-K833 PolarHBondContact OG-N 2.89Å | ||
| 834 | C | 56.6 | Low | 62.3 | Low | 34 Ų | 34 | 66.2 Ų | 66.2 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | trans | -73.2 | 133.9 | 176.8 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | L828 S831 | L828-C834 HydrophobicContact CB-CB 4.5Å; L828-C834 WeakPolarHBondContact O-CB 3.04Å; S831-C834 PolarHBondContact OG-N 3.14Å | ||
| 835 | K | 63.4 | Low | 62.7 | Low | 151 Ų | 151 | 66.4 Ų | 66.4 | 66% | 0.657 | 34% | 0.336 | S | S | * | . | trans | -96.8 | 156.5 | 174.9 | -63.1 | -178.2 | 178.2 | -176.3 | 0 | 110 | I837 D838 I839 | K835-I837 HydrophobicContact CB-CG2 4.18Å; K835-I837 PolarHBondContact O-N 3.33Å; K835-D838 WeakPolarHBondContact CB-OD2 3.49Å; K835-D838 PolarHBondContact N-OD2 3.24Å; K835-D838 WeakPolarHBondContact O-CB 3.39Å; K835-D838 PolarHBondContact O-N 2.91Å; K835-I839 PolarHBondContact O-N 3.24Å | ||
| 836 | T | 72.8 | Confident | 62.9 | Low | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -45.5 | -42.8 | 174.3 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | L811 W812 L814 D838 I839 I840 | L811-T836 HydrophobicContact CG-CG2 4.42Å; L811-T836 WeakPolarHBondContact O-CG2 3.18Å; W812-T836 WeakPolarHBondContact O-CB 3.45Å; W812-T836 PolarHBondContact O-OG1 2.89Å; L814-T836 HydrophobicContact CB-CG2 3.4Å; L814-T836 VanDerWaalsContact CB-CG2 3.4Å; L814-T836 HydrophobicContact CD2-CG2 4.45Å; L814-T836 PolarHBondContact N-OG1 3.3Å; T836-D838 VanDerWaalsContact C-N 3.26Å; T836-D838 PolarHBondContact O-N 3.19Å; T836-I839 PolarHBondContact O-N 2.94Å; T836-I840 HydrophobicContact CG2-CG1 4.22Å; T836-I840 WeakPolarHBondContact O-CG1 3.27Å; T836-I840 PolarHBondContact O-N 3.45Å |
| 837 | I | 68.8 | Low | 63 | Low | 104 Ų | 104 | 70.8 Ų | 70.8 | 53% | 0.533 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66 | -26 | -177.3 | -157.9 | 166.3 | 0 | 0 | 0 | 113.2 | K835 G841 | K835-I837 HydrophobicContact CB-CG2 4.18Å; K835-I837 PolarHBondContact O-N 3.33Å; I837-G841 PolarHBondContact O-N 3.01Å |
| 838 | D | 66.1 | Low | 63.1 | Low | 84 Ų | 84 | 69.7 Ų | 69.7 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -74.9 | -38.4 | 175.9 | -54.1 | -45.9 | 0 | 0 | 0 | 110.5 | K835 T836 G841 Y842 | K835-D838 WeakPolarHBondContact CB-OD2 3.49Å; K835-D838 PolarHBondContact N-OD2 3.24Å; K835-D838 WeakPolarHBondContact O-CB 3.39Å; K835-D838 PolarHBondContact O-N 2.91Å; T836-D838 VanDerWaalsContact C-N 3.26Å; T836-D838 PolarHBondContact O-N 3.19Å; D838-G841 PolarHBondContact O-N 3.01Å; D838-Y842 WeakPolarHBondContact O-CB 3.37Å; D838-Y842 PolarHBondContact O-N 2.98Å |
| 839 | I | 73.7 | Confident | 63 | Low | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 175.3 | -59 | 172.7 | 0 | 0 | 0 | 110.1 | L801 L814 L825 F829 K835 T836 G841 Y842 L843 | L801-I839 HydrophobicContact CD1-CG2 4.37Å; L814-I839 HydrophobicContact CD2-CG2 4.38Å; L825-I839 HydrophobicContact CD2-CG2 3.99Å; F829-I839 HydrophobicContact CD2-CD1 3.62Å; F829-I839 HydrophobicContact CE2-CD1 3.52Å; K835-I839 PolarHBondContact O-N 3.24Å; T836-I839 PolarHBondContact O-N 2.94Å; I839-G841 VanDerWaalsContact C-N 3.32Å; I839-G841 PolarHBondContact O-N 3.3Å; I839-Y842 PolarHBondContact O-N 3.37Å; I839-L843 HydrophobicContact CG2-CD1 4.03Å; I839-L843 WeakPolarHBondContact O-CG 3.39Å; I839-L843 PolarHBondContact O-N 3.45Å |
| 840 | I | 76.8 | Confident | 63.2 | Low | 13 Ų | 13 | 78.7 Ų | 78.7 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 173.2 | -68.2 | -68.3 | 0 | 0 | 0 | 110.4 | M805 G806 L808 L811 T836 Y842 L843 K844 | M805-I840 WeakPolarHBondContact O-CD1 3.45Å; G806-I840 WeakPolarHBondContact CA-O 3.45Å; L808-I840 HydrophobicContact CB-CD1 4.4Å; L811-I840 HydrophobicContact CB-CD1 4.24Å; L811-I840 HydrophobicContact CD2-CD1 3.9Å; T836-I840 HydrophobicContact CG2-CG1 4.22Å; T836-I840 WeakPolarHBondContact O-CG1 3.27Å; T836-I840 PolarHBondContact O-N 3.45Å; I840-Y842 PolarHBondContact O-N 3.37Å; I840-L843 PolarHBondContact O-N 2.89Å; I840-K844 WeakPolarHBondContact O-CB 3.26Å; I840-K844 PolarHBondContact O-N 3.35Å |
| 841 | G | 65.6 | Low | 63.8 | Low | 37 Ų | 37 | 73.6 Ų | 73.6 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I837 D838 I839 S845 | I837-G841 PolarHBondContact O-N 3.01Å; D838-G841 PolarHBondContact O-N 3.01Å; I839-G841 VanDerWaalsContact C-N 3.32Å; I839-G841 PolarHBondContact O-N 3.3Å; G841-S845 PolarHBondContact O-N 3.16Å; G841-S845 VanDerWaalsContact O-N 3.08Å |
| 842 | Y | 68.5 | Low | 64.8 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 29% | 0.29 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -53 | 174.5 | 171.3 | -114.3 | 0 | 0 | 0 | 111.7 | P824 L825 D838 I839 I840 K844 S845 I846 | P824-Y842 HydrophobicContact CG-CE1 4.12Å; P824-Y842 HydrophobicContact CG-CE2 4.42Å; P824-Y842 WeakPolarHBondContact CG-OH 3.38Å; L825-Y842 HydrophobicContact CD2-CD1 4.05Å; L825-Y842 HydrophobicContact CD2-CE1 4.23Å; L825-Y842 HydrophobicContact CG-CE1 4.33Å; D838-Y842 WeakPolarHBondContact O-CB 3.37Å; D838-Y842 PolarHBondContact O-N 2.98Å; I839-Y842 PolarHBondContact O-N 3.37Å; I840-Y842 PolarHBondContact O-N 3.37Å; Y842-K844 VanDerWaalsContact C-N 3.29Å; Y842-K844 PolarHBondContact O-N 2.83Å; Y842-S845 WeakPolarHBondContact O-CB 3.41Å; Y842-S845 PolarHBondContact O-N 3.37Å; Y842-S845 PolarHBondContact O-OG 2.97Å; Y842-I846 HydrophobicContact CE1-CD1 4.02Å; Y842-I846 HydrophobicContact CE2-CD1 4.29Å; Y842-I846 PolarHBondContact O-N 3.36Å |
| 843 | L | 73.9 | Confident | 65.9 | Low | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 179 | -64.5 | 170.1 | 0 | 0 | 0 | 111.3 | L801 A803 M805 I839 I840 S845 I846 | L801-L843 HydrophobicContact CB-CD1 4.38Å; L801-L843 HydrophobicContact CD1-CD1 4.39Å; A803-L843 CarbonylContact O-C 3.43Å; M805-L843 HydrophobicContact CB-CD1 3.99Å; I839-L843 HydrophobicContact CG2-CD1 4.03Å; I839-L843 WeakPolarHBondContact O-CG 3.39Å; I839-L843 PolarHBondContact O-N 3.45Å; I840-L843 PolarHBondContact O-N 2.89Å; L843-S845 VanDerWaalsContact C-N 3.29Å; L843-S845 PolarHBondContact O-N 3.5Å; L843-I846 WeakPolarHBondContact O-CB 3.38Å; L843-I846 PolarHBondContact O-N 2.93Å |
| 844 | K | 69.6 | Low | 67.5 | Low | 60 Ų | 60 | 62.8 Ų | 62.8 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -31.7 | 174.9 | -162.7 | 179.2 | -173 | -175.5 | 0 | 113.1 | G806 I840 Y842 I846 L847 | G806-K844 WeakPolarHBondContact O-CB 3.4Å; G806-K844 WeakPolarHBondContact O-CD 3.46Å; G806-K844 WeakPolarHBondContact O-CG 3.33Å; I840-K844 WeakPolarHBondContact O-CB 3.26Å; I840-K844 PolarHBondContact O-N 3.35Å; Y842-K844 VanDerWaalsContact C-N 3.29Å; Y842-K844 PolarHBondContact O-N 2.83Å; K844-I846 VanDerWaalsContact C-N 3.3Å; K844-I846 PolarHBondContact O-N 3.42Å; K844-L847 WeakPolarHBondContact O-CB 3.5Å; K844-L847 PolarHBondContact O-N 3.29Å |
| 845 | S | 62.4 | Low | 68.9 | Low | 38 Ų | 38 | 62.4 Ų | 62.4 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.9 | -20.3 | 178 | 75 | 0 | 0 | 0 | 0 | 113.9 | G841 Y842 L843 L847 | G841-S845 PolarHBondContact O-N 3.16Å; G841-S845 VanDerWaalsContact O-N 3.08Å; Y842-S845 WeakPolarHBondContact O-CB 3.41Å; Y842-S845 PolarHBondContact O-N 3.37Å; Y842-S845 PolarHBondContact O-OG 2.97Å; L843-S845 VanDerWaalsContact C-N 3.29Å; L843-S845 PolarHBondContact O-N 3.5Å; S845-L847 VanDerWaalsContact C-N 3.32Å |
| 846 | I | 66.6 | Low | 70 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -76.9 | -24.7 | 173.8 | -60.4 | 169.9 | 0 | 0 | 0 | 110.8 | A803 Y842 L843 K844 | A803-I846 HydrophobicContact CB-CB 4.14Å; A803-I846 HydrophobicContact CB-CG2 3.92Å; Y842-I846 HydrophobicContact CE1-CD1 4.02Å; Y842-I846 HydrophobicContact CE2-CD1 4.29Å; Y842-I846 PolarHBondContact O-N 3.36Å; L843-I846 WeakPolarHBondContact O-CB 3.38Å; L843-I846 PolarHBondContact O-N 2.93Å; K844-I846 VanDerWaalsContact C-N 3.3Å; K844-I846 PolarHBondContact O-N 3.42Å |
| 847 | L | 64.7 | Low | 70.7 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -86.6 | -16.1 | -166.3 | -129.1 | 179.8 | 0 | 0 | 0 | 115 | L807 K844 S845 E849 | L807-L847 HydrophobicContact CD1-CD1 3.81Å; L807-L847 HydrophobicContact CD2-CD1 3.87Å; L807-L847 HydrophobicContact CG-CD1 3.48Å; L807-L847 VanDerWaalsContact CG-CD1 3.48Å; K844-L847 WeakPolarHBondContact O-CB 3.5Å; K844-L847 PolarHBondContact O-N 3.29Å; S845-L847 VanDerWaalsContact C-N 3.32Å; L847-E849 PolarHBondContact O-N 3.48Å |
| 848 | E | 60.9 | Low | 71.7 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 23% | 0.229 | 27% | 0.273 | C | S | . | . | trans | -90.1 | 102.9 | 176.5 | -79.3 | -170.7 | -147 | 0 | 0 | 111.3 | Y850 S851 P1084 | E848-Y850 PolarHBondContact O-N 3.1Å; E848-S851 WeakPolarHBondContact O-CB 3.22Å; E848-S851 PolarHBondContact O-N 2.96Å; E848-S851 PolarHBondContact O-OG 2.77Å; E848-P1084 VanDerWaalsContact OE2-CA 3.26Å; E848-P1084 WeakPolarHBondContact OE2-CA 3.17Å; E848-P1084 VanDerWaalsContact OE2-CB 3.29Å; E848-P1084 WeakPolarHBondContact OE2-CB 3.45Å | ||
| 849 | E | 54.1 | Low | 72.9 | Confident | 109 Ų | 109 | 50.4 Ų | 50.4 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.1 | 177.1 | -84.9 | -161 | 177.2 | 0 | 0 | 114.3 | P748 L847 | P748-E849 HydrophobicContact CB-CG 4.11Å; P748-E849 WeakPolarHBondContact CD-OE2 3.06Å; P748-E849 WeakPolarHBondContact CG-OE2 3.4Å; L847-E849 PolarHBondContact O-N 3.48Å |
| 850 | Y | 59.3 | Low | 73.7 | Confident | 154 Ų | 154 | 50.3 Ų | 50.3 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 13 | 177 | -63.2 | -69.7 | 0 | 0 | 0 | 114.2 | E848 S1085 | E848-Y850 PolarHBondContact O-N 3.1Å; Y850-S1085 WeakPolarHBondContact O-CB 3.35Å |
| 851 | S | 63.8 | Low | 74.4 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | trans | -62.3 | 142.8 | 172.7 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | E848 Q1082 V1083 | E848-S851 WeakPolarHBondContact O-CB 3.22Å; E848-S851 PolarHBondContact O-N 2.96Å; E848-S851 PolarHBondContact O-OG 2.77Å; S851-Q1082 PolarHBondContact O-OE1 2.94Å; S851-V1083 WeakPolarHBondContact CA-O 3.45Å | ||
| 852 | K | 72.1 | Confident | 75.6 | Confident | 117 Ų | 117 | 48 Ų | 48 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146.4 | -172.4 | -71 | 178.6 | -176.2 | 179.1 | 0 | 112.3 | Y854 Q1082 V1083 I1088 | K852-Y854 PolarHBondContact O-N 3.2Å; K852-Q1082 VanDerWaalsContact CA-OE1 3.23Å; K852-V1083 PolarHBondContact N-O 2.81Å; K852-V1083 PolarHBondContact O-N 2.72Å; K852-I1088 HydrophobicContact CB-CD1 4.11Å |
| 853 | P | 75.6 | Confident | 76.5 | Confident | 80 Ų | 80 | 44.5 Ų | 44.5 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.1 | 177.8 | 28.1 | -33.6 | 0 | 0 | 0 | 110.4 | A855 Q1082 | P853-A855 PolarHBondContact O-N 2.97Å; P853-Q1082 VanDerWaalsContact CD-OE1 3.25Å |
| 854 | Y | 81.6 | Confident | 77 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | trans | -94 | 88.1 | -172.6 | -172.9 | -98.9 | 0 | 0 | 0 | 112.2 | K852 R856 V1083 I1088 E1091 F1143 | K852-Y854 PolarHBondContact O-N 3.2Å; Y854-R856 HydrophobicContact CD1-CB 4.21Å; Y854-R856 HydrophobicContact CE1-CB 3.6Å; Y854-R856 HydrophobicContact CE1-CG 4.44Å; Y854-R856 PolarHBondContact O-N 2.86Å; Y854-V1083 HydrophobicContact CG-CG2 4.45Å; Y854-I1088 HydrophobicContact CD2-CD1 4.48Å; Y854-I1088 HydrophobicContact CD2-CG1 4.16Å; Y854-I1088 HydrophobicContact CE2-CG1 4.48Å; Y854-E1091 PolarHBondContact OH-OE2 3.44Å; Y854-F1143 HydrophobicContact CD1-CE1 4.48Å; Y854-F1143 HydrophobicContact CD1-CE2 4.37Å; Y854-F1143 AromaticContact CD1-CZ 3.61Å; Y854-F1143 HydrophobicContact CD1-CZ 3.61Å; Y854-F1143 HydrophobicContact CD2-CE1 4.38Å; Y854-F1143 HydrophobicContact CD2-CZ 4Å; Y854-F1143 HydrophobicContact CE1-CE1 4.17Å; Y854-F1143 AromaticContact CE1-CZ 3.66Å; Y854-F1143 HydrophobicContact CE1-CZ 3.66Å; Y854-F1143 HydrophobicContact CE2-CE1 4.09Å; Y854-F1143 HydrophobicContact CE2-CZ 4.08Å; Y854-F1143 AromaticContact CG-CZ 3.77Å; Y854-F1143 HydrophobicContact CG-CZ 3.77Å; Y854-F1143 AromaticContact CZ-CE1 3.97Å; Y854-F1143 AromaticContact CZ-CZ 3.91Å | ||
| 855 | A | 86 | Confident | 77.6 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 22% | 0.223 | 23% | 0.23 | C | C | . | . | trans | -78.8 | 39.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P853 V933 T936 I1079 | P853-A855 PolarHBondContact O-N 2.97Å; A855-V933 HydrophobicContact CB-CG1 4.43Å; A855-T936 PolarHBondContact O-N 2.98Å; A855-I1079 HydrophobicContact CB-CG2 4.29Å | ||
| 856 | R | 86.9 | Confident | 78.5 | Confident | 107 Ų | 107 | 47.4 Ų | 47.4 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.1 | 172.1 | -56.8 | -177.3 | 170.4 | 162.2 | 2.9 | 111.3 | Y854 T936 E1091 | Y854-R856 HydrophobicContact CD1-CB 4.21Å; Y854-R856 HydrophobicContact CE1-CB 3.6Å; Y854-R856 HydrophobicContact CE1-CG 4.44Å; Y854-R856 PolarHBondContact O-N 2.86Å; R856-T936 VanDerWaalsContact CA-O 3.25Å; R856-T936 WeakPolarHBondContact CA-O 3.4Å; R856-E1091 IonicContact CZ-OE1 2.79Å; R856-E1091 IonicContact CZ-OE2 3.18Å; R856-E1091 IonicContact NH1-OE1 3.03Å; R856-E1091 PolarHBondContact NH1-OE1 3.26Å; R856-E1091 IonicContact NH1-OE2 3.98Å; R856-E1091 PolarHBondContact NH1-OE2 2.98Å |
| 857 | L | 87.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 159.5 | 179.5 | -131.9 | 110.9 | 0 | 0 | 0 | 112.1 | T936 F937 R938 I961 L1069 I1079 | L857-T936 PolarHBondContact N-O 3.36Å; L857-T936 VanDerWaalsContact N-O 3.11Å; L857-F937 HydrophobicContact CB-CD1 4.24Å; L857-F937 HydrophobicContact CB-CE1 4.41Å; L857-F937 CarbonylContact O-C 3.58Å; L857-F937 VanDerWaalsContact O-CA 3.31Å; L857-F937 WeakPolarHBondContact O-CA 3.27Å; L857-R938 PolarHBondContact O-N 3.44Å; L857-I961 HydrophobicContact CD2-CD1 4.01Å; L857-I961 HydrophobicContact CD2-CG1 3.79Å; L857-L1069 HydrophobicContact CD2-CD2 3.86Å; L857-I1079 HydrophobicContact CD1-CD1 4.49Å; L857-I1079 HydrophobicContact CD1-CG1 4.12Å |
| 858 | K | 89.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.3 | 167.5 | -94.3 | -175.7 | -178.4 | 177.7 | 0 | 111.5 | M860 F955 S957 S960 I961 E1146 G1148 | K858-M860 HydrophobicContact CB-SD 4.33Å; K858-M860 HydrophobicContact CD-CE 4.43Å; K858-M860 HydrophobicContact CD-SD 3.85Å; K858-M860 HydrophobicContact CG-SD 4.32Å; K858-F955 PolarHBondContact NZ-O 2.9Å; K858-S957 WeakPolarHBondContact CD-OG 3.2Å; K858-S957 PolarHBondContact NZ-OG 2.94Å; K858-S960 WeakPolarHBondContact CB-OG 3.42Å; K858-S960 VanDerWaalsContact CD-OG 3.26Å; K858-S960 WeakPolarHBondContact CD-OG 3.33Å; K858-I961 PolarHBondContact O-N 2.85Å; K858-E1146 WeakPolarHBondContact CD-O 3.4Å; K858-E1146 WeakPolarHBondContact CE-O 3.23Å; K858-G1148 VanDerWaalsContact CE-CA 3.48Å |
| 859 | L | 91.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 115.1 | 167.2 | -175.8 | 66.2 | 0 | 0 | 0 | 109.5 | W920 F937 R938 T939 W940 I961 L963 I1062 | L859-W920 HydrophobicContact CD2-CE3 3.77Å; L859-W920 HydrophobicContact CD2-CZ3 3.81Å; L859-F937 HydrophobicContact CB-CB 3.89Å; L859-F937 HydrophobicContact CB-CD1 4.15Å; L859-F937 HydrophobicContact CB-CG 4.33Å; L859-F937 HydrophobicContact CD2-CB 4.27Å; L859-F937 HydrophobicContact CD2-CG 4.42Å; L859-R938 PolarHBondContact N-O 2.66Å; L859-T939 HydrophobicContact CD2-CG2 4.41Å; L859-T939 CarbonylContact O-C 3.59Å; L859-T939 WeakPolarHBondContact O-CA 3.4Å; L859-W940 PolarHBondContact O-N 3.05Å; L859-I961 HydrophobicContact CD1-CB 3.86Å; L859-I961 HydrophobicContact CD1-CG2 3.82Å; L859-L963 HydrophobicContact CD1-CD1 3.77Å; L859-L963 HydrophobicContact CD1-CG 4.04Å; L859-L963 HydrophobicContact CD2-CD1 4Å; L859-L963 HydrophobicContact CG-CD1 4Å; L859-I1062 HydrophobicContact CD1-CG2 4.13Å; L859-I1062 HydrophobicContact CD2-CG2 4.49Å |
| 860 | M | 90.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.5 | -168.7 | -54.6 | -66.6 | -90.3 | 0 | 0 | 109.2 | K858 W940 F942 F955 L956 I961 Y962 L963 | K858-M860 HydrophobicContact CB-SD 4.33Å; K858-M860 HydrophobicContact CD-CE 4.43Å; K858-M860 HydrophobicContact CD-SD 3.85Å; K858-M860 HydrophobicContact CG-SD 4.32Å; M860-W940 HydrophobicContact CE-CG 4.48Å; M860-W940 HydrophobicContact SD-CB 3.73Å; M860-W940 HydrophobicContact SD-CD2 4.2Å; M860-W940 HydrophobicContact SD-CG 3.64Å; M860-F942 HydrophobicContact CB-CE2 4.29Å; M860-F942 HydrophobicContact CE-CE2 3.64Å; M860-F942 HydrophobicContact CE-CZ 3.53Å; M860-F942 HydrophobicContact SD-CE2 4.09Å; M860-F942 HydrophobicContact SD-CZ 4.47Å; M860-F955 WeakPolarHBondContact CE-O 3.41Å; M860-L956 HydrophobicContact CE-CD2 4.34Å; M860-I961 PolarHBondContact N-O 2.83Å; M860-Y962 HydrophobicContact CB-CD1 3.45Å; M860-Y962 VanDerWaalsContact CB-CD1 3.45Å; M860-Y962 HydrophobicContact CB-CE1 3.43Å; M860-Y962 VanDerWaalsContact CB-CE1 3.43Å; M860-Y962 HydrophobicContact CB-CG 4.28Å; M860-Y962 HydrophobicContact CE-CE1 4.41Å; M860-Y962 HydrophobicContact CG-CD1 4.05Å; M860-Y962 HydrophobicContact CG-CE1 3.58Å; M860-L963 PolarHBondContact O-N 2.76Å |
| 861 | I | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 107.6 | -173.4 | -52.7 | -168.2 | 0 | 0 | 0 | 109.9 | K869 L873 W940 F942 L963 V965 | I861-K869 HydrophobicContact CG2-CB 4.04Å; I861-K869 HydrophobicContact CG2-CD 4.19Å; I861-L873 HydrophobicContact CD1-CB 4.06Å; I861-L873 HydrophobicContact CD1-CD1 3.77Å; I861-L873 HydrophobicContact CD1-CD2 4.12Å; I861-L873 HydrophobicContact CD1-CG 4.18Å; I861-W940 PolarHBondContact N-O 2.99Å; I861-F942 PolarHBondContact O-N 3.07Å; I861-F942 VanDerWaalsContact O-N 3.16Å; I861-L963 HydrophobicContact CD1-CD1 3.95Å; I861-L963 HydrophobicContact CG1-CB 4.25Å; I861-L963 HydrophobicContact CG1-CD1 4Å; I861-V965 HydrophobicContact CG2-CG2 3.82Å |
| 862 | V | 89.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 165.6 | -170.1 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | K869 F942 L963 V964 V965 W981 I985 | V862-K869 VanDerWaalsContact C-CD 3.44Å; V862-K869 VanDerWaalsContact O-CD 3.31Å; V862-K869 WeakPolarHBondContact O-CD 3.18Å; V862-F942 HydrophobicContact CG1-CB 4.37Å; V862-F942 HydrophobicContact CG1-CD2 3.74Å; V862-F942 HydrophobicContact CG1-CE2 4.3Å; V862-F942 HydrophobicContact CG1-CG 4.13Å; V862-L963 PolarHBondContact N-O 3.04Å; V862-V964 HydrophobicContact CG2-CB 4.41Å; V862-V964 HydrophobicContact CG2-CG2 3.71Å; V862-V965 PolarHBondContact O-N 3.14Å; V862-W981 HydrophobicContact CB-CD2 3.97Å; V862-W981 HydrophobicContact CB-CE3 3.66Å; V862-W981 HydrophobicContact CB-CH2 4.09Å; V862-W981 HydrophobicContact CB-CZ2 4.38Å; V862-W981 HydrophobicContact CB-CZ3 3.74Å; V862-W981 HydrophobicContact CG1-CE3 4.02Å; V862-W981 HydrophobicContact CG1-CH2 4.17Å; V862-W981 HydrophobicContact CG1-CZ3 3.69Å; V862-W981 HydrophobicContact CG2-CD2 4.18Å; V862-W981 HydrophobicContact CG2-CE3 3.93Å; V862-W981 HydrophobicContact CG2-CG 4.49Å; V862-W981 HydrophobicContact CG2-CZ3 4.45Å; V862-I985 HydrophobicContact CG2-CD1 4.26Å |
| 863 | G | 87.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | trans | 128.6 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K869 G944 | G863-K869 PolarHBondContact O-NZ 3.17Å; G863-G944 WeakPolarHBondContact O-CA 3.43Å | ||
| 864 | V | 83.9 | Confident | 86.7 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 16% | 0.158 | 16% | 0.159 | C | C | . | . | trans | -69.7 | 169.2 | -167.7 | -171 | 0 | 0 | 0 | 0 | 113.8 | I867 Y949 E977 | V864-I867 HydrophobicContact CB-CG2 4.27Å; V864-I867 WeakPolarHBondContact O-CD1 3.38Å; V864-I867 WeakPolarHBondContact O-CG1 3.36Å; V864-Y949 WeakPolarHBondContact CA-OH 3.38Å; V864-E977 HydrophobicContact CG2-CB 3.89Å; V864-E977 HydrophobicContact CG2-CG 4.45Å; V864-E977 WeakPolarHBondContact CG2-OE2 3.42Å | ||
| 865 | Q | 83 | Confident | 87 | Confident | 86 Ų | 86 | 29 Ų | 29 | 40% | 0.402 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 144 | 178.8 | -161.2 | 176 | -4.6 | 0 | 0 | 112 | I867 S911 G944 Q945 | Q865-I867 PolarHBondContact O-N 3.07Å; Q865-S911 WeakPolarHBondContact CG-OG 3.46Å; Q865-S911 PolarHBondContact NE2-OG 3.07Å; Q865-G944 WeakPolarHBondContact CB-O 3.35Å; Q865-G944 PolarHBondContact N-O 2.94Å; Q865-Q945 HydrophobicContact CG-CG 4.38Å |
| 866 | G | 80.7 | Confident | 87 | Confident | 51 Ų | 51 | 27.8 Ų | 27.8 | 53% | 0.526 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 9.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | G868 R967 | G866-G868 VanDerWaalsContact C-N 3.3Å; G866-R967 PolarHBondContact O-NH2 2.74Å |
| 867 | I | 87.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -84.5 | 2.3 | 175.6 | 70.5 | -178 | 0 | 0 | 0 | 113.8 | V864 Q865 K869 V965 R967 T999 H1000 | V864-I867 HydrophobicContact CB-CG2 4.27Å; V864-I867 WeakPolarHBondContact O-CD1 3.38Å; V864-I867 WeakPolarHBondContact O-CG1 3.36Å; Q865-I867 PolarHBondContact O-N 3.07Å; I867-K869 HydrophobicContact CD1-CD 4.08Å; I867-K869 HydrophobicContact CD1-CG 3.82Å; I867-K869 HydrophobicContact CG1-CD 4.34Å; I867-K869 HydrophobicContact CG1-CG 3.58Å; I867-V965 VanDerWaalsContact CD1-C 3.5Å; I867-V965 HydrophobicContact CD1-CB 3.79Å; I867-V965 HydrophobicContact CD1-CG1 3.84Å; I867-V965 WeakPolarHBondContact CD1-O 3.14Å; I867-V965 HydrophobicContact CG1-CB 4.48Å; I867-V965 HydrophobicContact CG1-CG1 4.08Å; I867-R967 HydrophobicContact CG2-CB 4.36Å; I867-T999 PolarHBondContact O-OG1 3.13Å; I867-H1000 PolarHBondContact O-CE1 3.12Å |
| 868 | G | 84.7 | Confident | 86.6 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 22% | 0.216 | 17% | 0.172 | C | C | . | . | trans | 88.1 | 17.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G866 T870 S871 L872 | G866-G868 VanDerWaalsContact C-N 3.3Å; G868-T870 PolarHBondContact O-N 3.13Å; G868-S871 PolarHBondContact O-N 3.42Å; G868-S871 VanDerWaalsContact O-N 3.13Å; G868-L872 PolarHBondContact O-N 2.96Å | ||
| 869 | K | 88.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -50.3 | -52.1 | -179.5 | -53.9 | -154.2 | -53.6 | -81.8 | 0 | 113.8 | I861 V862 G863 I867 S871 L872 L873 F942 V965 | I861-K869 HydrophobicContact CG2-CB 4.04Å; I861-K869 HydrophobicContact CG2-CD 4.19Å; V862-K869 VanDerWaalsContact C-CD 3.44Å; V862-K869 VanDerWaalsContact O-CD 3.31Å; V862-K869 WeakPolarHBondContact O-CD 3.18Å; G863-K869 PolarHBondContact O-NZ 3.17Å; I867-K869 HydrophobicContact CD1-CD 4.08Å; I867-K869 HydrophobicContact CD1-CG 3.82Å; I867-K869 HydrophobicContact CG1-CD 4.34Å; I867-K869 HydrophobicContact CG1-CG 3.58Å; K869-S871 VanDerWaalsContact C-N 3.34Å; K869-S871 PolarHBondContact O-N 3.26Å; K869-L872 WeakPolarHBondContact O-CB 3.35Å; K869-L872 PolarHBondContact O-N 3.27Å; K869-L873 PolarHBondContact O-N 3.02Å; K869-F942 WeakPolarHBondContact CE-O 3.38Å; K869-F942 PolarHBondContact NZ-O 3.43Å; K869-V965 HydrophobicContact CD-CB 4.15Å; K869-V965 HydrophobicContact CD-CG2 4.27Å; K869-V965 HydrophobicContact CG-CB 4.04Å; K869-V965 HydrophobicContact CG-CG1 4.23Å; K869-V965 HydrophobicContact CG-CG2 4.25Å |
| 870 | T | 84.8 | Confident | 85.3 | Confident | 53 Ų | 53 | 32 Ų | 32 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 179.6 | -36.7 | 0 | 0 | 0 | 0 | 111.7 | G868 L873 E874 T912 D941 | G868-T870 PolarHBondContact O-N 3.13Å; T870-L873 WeakPolarHBondContact O-CB 3.2Å; T870-L873 PolarHBondContact O-N 3.34Å; T870-E874 WeakPolarHBondContact O-CG 3.49Å; T870-E874 PolarHBondContact O-N 2.96Å; T870-T912 PolarHBondContact OG1-OG1 3.02Å; T870-T912 VanDerWaalsContact OG1-OG1 3.11Å; T870-D941 WeakPolarHBondContact CB-OD2 3.12Å; T870-D941 PolarHBondContact OG1-OD2 2.63Å |
| 871 | S | 86 | Confident | 84.3 | Confident | 57 Ų | 57 | 35.2 Ų | 35.2 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.7 | -34 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 113.1 | G868 K869 E874 Q875 | G868-S871 PolarHBondContact O-N 3.42Å; G868-S871 VanDerWaalsContact O-N 3.13Å; K869-S871 VanDerWaalsContact C-N 3.34Å; K869-S871 PolarHBondContact O-N 3.26Å; S871-E874 PolarHBondContact O-N 2.81Å; S871-Q875 WeakPolarHBondContact O-CG 3.48Å; S871-Q875 PolarHBondContact O-N 2.92Å; S871-Q875 VanDerWaalsContact O-N 3.13Å |
| 872 | L | 88.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 168.7 | 172.8 | 63 | 0 | 0 | 0 | 110.2 | G868 K869 E874 Q875 L876 V965 V997 V1047 M1055 L1058 | G868-L872 PolarHBondContact O-N 2.96Å; K869-L872 WeakPolarHBondContact O-CB 3.35Å; K869-L872 PolarHBondContact O-N 3.27Å; L872-E874 VanDerWaalsContact C-N 3.34Å; L872-E874 PolarHBondContact O-N 3.25Å; L872-Q875 PolarHBondContact O-N 3.08Å; L872-Q875 VanDerWaalsContact O-N 3.17Å; L872-L876 HydrophobicContact CG-CD1 4.39Å; L872-L876 WeakPolarHBondContact O-CG 3.45Å; L872-L876 PolarHBondContact O-N 3.2Å; L872-V965 HydrophobicContact CD2-CG1 4.29Å; L872-V965 HydrophobicContact CD2-CG2 3.98Å; L872-V997 HydrophobicContact CD2-CG1 3.95Å; L872-V1047 HydrophobicContact CD1-CG2 4.22Å; L872-M1055 HydrophobicContact CD1-CE 3.69Å; L872-M1055 HydrophobicContact CD1-SD 3.72Å; L872-L1058 HydrophobicContact CD1-CD2 3.92Å |
| 873 | L | 86.4 | Confident | 81 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 177.6 | -179.5 | 55 | 0 | 0 | 0 | 113 | I861 K869 T870 R877 T939 D941 | I861-L873 HydrophobicContact CD1-CB 4.06Å; I861-L873 HydrophobicContact CD1-CD1 3.77Å; I861-L873 HydrophobicContact CD1-CD2 4.12Å; I861-L873 HydrophobicContact CD1-CG 4.18Å; K869-L873 PolarHBondContact O-N 3.02Å; T870-L873 WeakPolarHBondContact O-CB 3.2Å; T870-L873 PolarHBondContact O-N 3.34Å; L873-R877 HydrophobicContact CD1-CG 4.47Å; L873-R877 VanDerWaalsContact CD2-NH2 3.25Å; L873-R877 WeakPolarHBondContact O-CB 3.5Å; L873-R877 VanDerWaalsContact O-CG 3.24Å; L873-R877 WeakPolarHBondContact O-CG 3.41Å; L873-R877 PolarHBondContact O-N 2.88Å; L873-T939 HydrophobicContact CD1-CG2 3.89Å; L873-D941 HydrophobicContact CD2-CB 3.89Å |
| 874 | E | 84.2 | Confident | 79 | Confident | 113 Ų | 113 | 55.4 Ų | 55.4 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 171.6 | -74.5 | 176.9 | 146.3 | 0 | 0 | 112.8 | T870 S871 L872 R877 A878 | T870-E874 WeakPolarHBondContact O-CG 3.49Å; T870-E874 PolarHBondContact O-N 2.96Å; S871-E874 PolarHBondContact O-N 2.81Å; L872-E874 VanDerWaalsContact C-N 3.34Å; L872-E874 PolarHBondContact O-N 3.25Å; E874-R877 PolarHBondContact O-N 2.96Å; E874-A878 PolarHBondContact O-N 3.42Å |
| 875 | Q | 86.6 | Confident | 77.4 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.8 | -37.8 | 175.5 | -62.1 | -60.9 | -21.6 | 0 | 0 | 112.3 | S871 L872 R877 A878 E879 S1049 R1052 M1055 | S871-Q875 WeakPolarHBondContact O-CG 3.48Å; S871-Q875 PolarHBondContact O-N 2.92Å; S871-Q875 VanDerWaalsContact O-N 3.13Å; L872-Q875 PolarHBondContact O-N 3.08Å; L872-Q875 VanDerWaalsContact O-N 3.17Å; Q875-R877 VanDerWaalsContact C-N 3.33Å; Q875-R877 PolarHBondContact O-N 3.48Å; Q875-A878 WeakPolarHBondContact O-CB 3.17Å; Q875-A878 PolarHBondContact O-N 2.99Å; Q875-A878 VanDerWaalsContact O-N 3.07Å; Q875-E879 PolarHBondContact O-N 2.88Å; Q875-E879 VanDerWaalsContact O-N 3.1Å; Q875-S1049 PolarHBondContact NE2-O 3.47Å; Q875-R1052 VanDerWaalsContact OE1-CZ 3.27Å; Q875-M1055 HydrophobicContact CB-CE 3.9Å; Q875-M1055 HydrophobicContact CB-CG 4.34Å; Q875-M1055 HydrophobicContact CB-SD 4.02Å; Q875-M1055 HydrophobicContact CG-CE 4.49Å |
| 876 | L | 87 | Confident | 75.8 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 170.5 | -70.9 | 174.3 | 0 | 0 | 0 | 110.6 | L872 A878 E879 G880 W920 L963 M1055 L1058 C1059 I1062 | L872-L876 HydrophobicContact CG-CD1 4.39Å; L872-L876 WeakPolarHBondContact O-CG 3.45Å; L872-L876 PolarHBondContact O-N 3.2Å; L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 2.87Å; L876-E879 PolarHBondContact O-N 3.46Å; L876-E879 VanDerWaalsContact O-N 3.15Å; L876-G880 PolarHBondContact O-N 3.34Å; L876-W920 HydrophobicContact CB-CZ2 4.31Å; L876-W920 HydrophobicContact CD2-CH2 4.44Å; L876-W920 HydrophobicContact CD2-CZ2 4.43Å; L876-W920 PolarHBondContact O-NE1 3.05Å; L876-L963 HydrophobicContact CD1-CD1 4.28Å; L876-M1055 HydrophobicContact CD2-SD 4.01Å; L876-M1055 HydrophobicContact CG-SD 4.29Å; L876-L1058 HydrophobicContact CD2-CD2 4.17Å; L876-L1058 HydrophobicContact CD2-CG 4.37Å; L876-C1059 WeakPolarHBondContact CD2-SG 3.26Å; L876-I1062 HydrophobicContact CD1-CD1 4.46Å; L876-I1062 HydrophobicContact CD2-CD1 4.35Å |
| 877 | R | 84.5 | Confident | 74.3 | Confident | 74 Ų | 74 | 75 Ų | 75 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.9 | -32.8 | 174.1 | -72.9 | 169.1 | -177 | 157.8 | 5.5 | 112.9 | L873 E874 Q875 G880 W920 T939 | L873-R877 HydrophobicContact CD1-CG 4.47Å; L873-R877 VanDerWaalsContact CD2-NH2 3.25Å; L873-R877 WeakPolarHBondContact O-CB 3.5Å; L873-R877 VanDerWaalsContact O-CG 3.24Å; L873-R877 WeakPolarHBondContact O-CG 3.41Å; L873-R877 PolarHBondContact O-N 2.88Å; E874-R877 PolarHBondContact O-N 2.96Å; Q875-R877 VanDerWaalsContact C-N 3.33Å; Q875-R877 PolarHBondContact O-N 3.48Å; R877-G880 PolarHBondContact O-N 2.75Å; R877-W920 HydrophobicContact CG-CB 4.39Å; R877-W920 HydrophobicContact CG-CG 4.49Å; R877-T939 PolarHBondContact NH2-OG1 3.04Å |
| 878 | A | 81 | Confident | 72.7 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.2 | -23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E874 Q875 L876 G880 | E874-A878 PolarHBondContact O-N 3.42Å; Q875-A878 WeakPolarHBondContact O-CB 3.17Å; Q875-A878 PolarHBondContact O-N 2.99Å; Q875-A878 VanDerWaalsContact O-N 3.07Å; L876-A878 VanDerWaalsContact C-N 3.26Å; L876-A878 PolarHBondContact O-N 2.87Å; A878-G880 VanDerWaalsContact C-N 3.34Å |
| 879 | E | 80.3 | Confident | 71.5 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 21% | 0.206 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.3 | 167.8 | -73 | -72.3 | 145.1 | 0 | 0 | 112.8 | Q875 L876 Y922 R1056 | Q875-E879 PolarHBondContact O-N 2.88Å; Q875-E879 VanDerWaalsContact O-N 3.1Å; L876-E879 PolarHBondContact O-N 3.46Å; L876-E879 VanDerWaalsContact O-N 3.15Å; E879-Y922 WeakPolarHBondContact O-CE2 3.44Å; E879-R1056 IonicContact OE1-NH1 3.88Å; E879-R1056 IonicContact OE2-CZ 3.33Å; E879-R1056 IonicContact OE2-NH1 2.75Å; E879-R1056 PolarHBondContact OE2-NH1 3.43Å; E879-R1056 IonicContact OE2-NH2 3.71Å; E879-R1056 PolarHBondContact OE2-NH2 2.93Å |
| 880 | G | 74.5 | Confident | 70.1 | Confident | 23 Ų | 23 | 82 Ų | 82 | 24% | 0.237 | 43% | 0.431 | C | S | . | . | trans | -68.3 | 156.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L876 R877 A878 T921 | L876-G880 PolarHBondContact O-N 3.34Å; R877-G880 PolarHBondContact O-N 2.75Å; A878-G880 VanDerWaalsContact C-N 3.34Å; G880-T921 WeakPolarHBondContact CA-O 3.49Å | ||
| 881 | T | 69.2 | Low | 69 | Low | 68 Ų | 68 | 81.5 Ų | 81.5 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -95.9 | 0.8 | -172.5 | 49.2 | 0 | 0 | 0 | 0 | 115.1 | T921 Q923 | T881-T921 PolarHBondContact N-O 2.87Å; T881-T921 VanDerWaalsContact N-O 3.09Å; T881-Q923 HydrophobicContact CG2-CB 4.1Å |
| 882 | V | 62.2 | Low | 67.6 | Low | 95 Ų | 95 | 80.3 Ų | 80.3 | 58% | 0.576 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -117.7 | 130.2 | -177.5 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | T921 | V882-T921 HydrophobicContact CG2-CG2 3.89Š|
| 883 | P | 49.8 | Very low | 66.5 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 78% | 0.779 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 152.2 | 179.6 | -24.6 | 35.1 | 0 | 0 | 0 | 114.6 | R885 | P883-R885 PolarHBondContact O-N 2.71Š|
| 884 | K | 46.7 | Very low | 65.6 | Low | 210 Ų | 210 | 91.4 Ų | 91.4 | 91% | 0.913 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 117.8 | -173.3 | -66.2 | -179.9 | 177.1 | -179.4 | 0 | 114.3 | ||
| 885 | R | 50.2 | Low | 64.4 | Low | 219 Ų | 219 | 89.1 Ų | 89.1 | 83% | 0.826 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 161.2 | 141 | -86.3 | -178.8 | 165.4 | 174.7 | -5.2 | 109.4 | P883 | P883-R885 PolarHBondContact O-N 2.71Š|
| 886 | R | 49.5 | Very low | 63 | Low | 247 Ų | 247 | 89.6 Ų | 89.6 | 93% | 0.932 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 140.4 | 176.8 | -73.4 | -178.3 | 175.3 | 172.2 | -1.2 | 110.2 | ||
| 887 | S | 48.4 | Very low | 61.3 | Low | 109 Ų | 109 | 92.3 Ų | 92.3 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 143.6 | 174.9 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 888 | S | 54.3 | Low | 59.5 | Low | 43 Ų | 43 | 99 Ų | 99 | 30% | 0.301 | 52% | 0.517 | S | S | . | . | trans | -45.6 | 139.9 | 171 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | G890 R894 D916 N918 | S888-G890 PolarHBondContact O-N 2.77Å; S888-R894 PolarHBondContact OG-NH1 2.91Å; S888-D916 PolarHBondContact OG-OD1 3.03Å; S888-N918 WeakPolarHBondContact CB-ND2 3.16Å | ||
| 889 | E | 58.5 | Low | 57.6 | Low | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | trans | -73.2 | 122.7 | 171.3 | -66 | -148.2 | 105.3 | 0 | 0 | 109.6 | R893 R894 | E889-R893 HydrophobicContact CB-CB 4.41Å; E889-R893 WeakPolarHBondContact OE1-CD 3.48Å; E889-R893 IonicContact OE1-CZ 3.85Å; E889-R893 IonicContact OE1-NE 3.85Å; E889-R893 IonicContact OE1-NH1 2.67Å; E889-R893 PolarHBondContact OE1-NH1 3.36Å; E889-R894 HydrophobicContact CB-CG 4.41Å; E889-R894 WeakPolarHBondContact O-CD 3.3Å; E889-R894 WeakPolarHBondContact O-CG 2.93Å; E889-R894 PolarHBondContact O-NH1 2.8Å | ||
| 890 | G | 58.1 | Low | 55.9 | Low | 38 Ų | 38 | 103.1 Ų | 103.1 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | trans | -58.7 | 141 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S888 A892 R893 | S888-G890 PolarHBondContact O-N 2.77Å; G890-A892 PolarHBondContact O-N 2.81Å; G890-R893 PolarHBondContact O-N 2.74Å | ||
| 891 | W | 63 | Low | 54.3 | Low | 42 Ų | 42 | 107.2 Ų | 107.2 | 16% | 0.159 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -34.8 | -45.2 | -172.9 | 176.6 | 86.3 | 0 | 0 | 0 | 115.8 | R893 R894 M895 V913 T1178 I1182 | W891-R893 VanDerWaalsContact C-N 3.26Å; W891-R893 PolarHBondContact O-N 3.39Å; W891-R894 WeakPolarHBondContact O-CB 3.31Å; W891-R894 PolarHBondContact O-N 2.98Å; W891-M895 HydrophobicContact CD2-CG 4.09Å; W891-M895 HydrophobicContact CG-CG 4.42Å; W891-M895 HydrophobicContact CH2-CG 4.48Å; W891-M895 HydrophobicContact CZ2-CB 4.49Å; W891-M895 HydrophobicContact CZ2-CG 3.74Å; W891-M895 PolarHBondContact O-N 3.16Å; W891-V913 HydrophobicContact CD2-CB 4.08Å; W891-V913 HydrophobicContact CD2-CG1 3.81Å; W891-V913 HydrophobicContact CE3-CB 4.28Å; W891-V913 HydrophobicContact CE3-CG1 4.14Å; W891-V913 HydrophobicContact CE3-CG2 4.45Å; W891-V913 HydrophobicContact CG-CB 4.19Å; W891-V913 HydrophobicContact CG-CG1 4.21Å; W891-V913 HydrophobicContact CZ2-CG1 4.19Å; W891-V913 HydrophobicContact CZ3-CG1 4.48Å; W891-T1178 HydrophobicContact CH2-CG2 3.76Å; W891-T1178 HydrophobicContact CZ2-CG2 3.7Å; W891-I1182 HydrophobicContact CH2-CD1 4.08Å |
| 892 | A | 56.3 | Low | 53.2 | Low | 33 Ų | 33 | 110.7 Ų | 110.7 | 27% | 0.273 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.6 | -32.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G890 S897 V900 | G890-A892 PolarHBondContact O-N 2.81Å; A892-S897 VanDerWaalsContact O-CB 3.23Å; A892-S897 WeakPolarHBondContact O-CB 3.2Å; A892-S897 PolarHBondContact O-N 2.93Å; A892-V900 HydrophobicContact CB-CG2 4.34Å |
| 893 | R | 65.5 | Low | 52.4 | Low | 168 Ų | 168 | 113 Ų | 113 | 63% | 0.634 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.4 | -40.3 | 172.1 | -70.4 | -170.1 | -172.7 | 174.1 | 3.9 | 112.2 | E889 G890 W891 M895 G896 | E889-R893 HydrophobicContact CB-CB 4.41Å; E889-R893 WeakPolarHBondContact OE1-CD 3.48Å; E889-R893 IonicContact OE1-CZ 3.85Å; E889-R893 IonicContact OE1-NE 3.85Å; E889-R893 IonicContact OE1-NH1 2.67Å; E889-R893 PolarHBondContact OE1-NH1 3.36Å; G890-R893 PolarHBondContact O-N 2.74Å; W891-R893 VanDerWaalsContact C-N 3.26Å; W891-R893 PolarHBondContact O-N 3.39Å; R893-M895 PolarHBondContact O-N 3.21Å; R893-G896 PolarHBondContact O-N 3.47Å |
| 894 | R | 68.2 | Low | 52.3 | Low | 65 Ų | 65 | 109.9 Ų | 109.9 | 25% | 0.245 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -60.6 | -36.7 | 179 | -53.7 | -161.1 | -62.3 | -115.1 | 12.8 | 111.2 | S888 E889 W891 G896 D916 D1171 | S888-R894 PolarHBondContact OG-NH1 2.91Å; E889-R894 HydrophobicContact CB-CG 4.41Å; E889-R894 WeakPolarHBondContact O-CD 3.3Å; E889-R894 WeakPolarHBondContact O-CG 2.93Å; E889-R894 PolarHBondContact O-NH1 2.8Å; W891-R894 WeakPolarHBondContact O-CB 3.31Å; W891-R894 PolarHBondContact O-N 2.98Å; R894-G896 VanDerWaalsContact C-N 3.27Å; R894-G896 PolarHBondContact O-N 2.71Å; R894-D916 IonicContact CZ-OD1 2.79Å; R894-D916 IonicContact NH1-OD1 2.66Å; R894-D916 PolarHBondContact NH1-OD1 2.96Å; R894-D916 IonicContact NH2-OD1 2.95Å; R894-D1171 IonicContact CZ-OD1 3.72Å; R894-D1171 IonicContact CZ-OD2 3.54Å; R894-D1171 IonicContact NE-OD1 3.92Å; R894-D1171 PolarHBondContact NE-OD1 2.93Å; R894-D1171 IonicContact NE-OD2 3.96Å; R894-D1171 PolarHBondContact NE-OD2 3.41Å; R894-D1171 IonicContact NH2-OD1 2.72Å; R894-D1171 PolarHBondContact NH2-OD1 3.25Å; R894-D1171 IonicContact NH2-OD2 3.77Å |
| 895 | M | 59.3 | Low | 52.3 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 32% | 0.32 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | 15.5 | 173.1 | -57.4 | -56.4 | -72.8 | 0 | 0 | 114.2 | W891 R893 S897 D1171 H1175 | W891-M895 HydrophobicContact CD2-CG 4.09Å; W891-M895 HydrophobicContact CG-CG 4.42Å; W891-M895 HydrophobicContact CH2-CG 4.48Å; W891-M895 HydrophobicContact CZ2-CB 4.49Å; W891-M895 HydrophobicContact CZ2-CG 3.74Å; W891-M895 PolarHBondContact O-N 3.16Å; R893-M895 PolarHBondContact O-N 3.21Å; M895-S897 PolarHBondContact O-N 3.27Å; M895-D1171 HydrophobicContact SD-CB 4.13Å; M895-H1175 HydrophobicContact CE-CB 3.87Å |
| 896 | G | 55.5 | Low | 52.2 | Low | 56 Ų | 56 | 100.5 Ų | 100.5 | 58% | 0.577 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | 6.1 | 168 | 0 | 0 | 0 | 0 | 0 | 117.2 | R893 R894 K898 | R893-G896 PolarHBondContact O-N 3.47Å; R894-G896 VanDerWaalsContact C-N 3.27Å; R894-G896 PolarHBondContact O-N 2.71Å; G896-K898 PolarHBondContact O-N 3.48Å |
| 897 | S | 53 | Low | 52.1 | Low | 57 Ų | 57 | 90.9 Ų | 90.9 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | trans | -72.4 | 117.6 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | A892 M895 S899 | A892-S897 VanDerWaalsContact O-CB 3.23Å; A892-S897 WeakPolarHBondContact O-CB 3.2Å; A892-S897 PolarHBondContact O-N 2.93Å; M895-S897 PolarHBondContact O-N 3.27Å; S897-S899 VanDerWaalsContact C-N 3.33Å; S897-S899 PolarHBondContact O-N 3.01Å | ||
| 898 | K | 46.4 | Very low | 52.1 | Low | 216 Ų | 216 | 94.8 Ų | 94.8 | 94% | 0.939 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -81.4 | -5.2 | -177.8 | -65.6 | -175.1 | 178.6 | 179.9 | 0 | 114.4 | G896 | G896-K898 PolarHBondContact O-N 3.48Š|
| 899 | S | 41.4 | Very low | 52.2 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 73% | 0.734 | 55% | 0.551 | S | S | * | * | trans | -147.1 | 93.7 | -174.8 | -171.2 | 0 | 0 | 0 | 0 | 112.7 | S897 | S897-S899 VanDerWaalsContact C-N 3.33Å; S897-S899 PolarHBondContact O-N 3.01Å | ||
| 900 | V | 43.8 | Very low | 52.2 | Low | 81 Ų | 81 | 98.1 Ų | 98.1 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | trans | -143.9 | 114.9 | 159.9 | -178 | 0 | 0 | 0 | 0 | 109.3 | A892 I910 | A892-V900 HydrophobicContact CB-CG2 4.34Å; V900-I910 HydrophobicContact CG1-CD1 4.46Å | ||
| 901 | S | 40.7 | Very low | 52.5 | Low | 109 Ų | 109 | 97.9 Ų | 97.9 | 76% | 0.762 | 54% | 0.543 | S | S | * | . | trans | -80.7 | 131 | 156 | 176 | 0 | 0 | 0 | 0 | 108 | K903 | S901-K903 VanDerWaalsContact C-N 3.27Å; S901-K903 PolarHBondContact O-N 2.84Å | ||
| 902 | Q | 47.4 | Very low | 52.8 | Low | 142 Ų | 142 | 97.2 Ų | 97.2 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -77 | 62.7 | -168.9 | -67.5 | -179.5 | -66.8 | 0 | 0 | 114.2 | ||
| 903 | K | 44.7 | Very low | 53.4 | Low | 143 Ų | 143 | 96.6 Ų | 96.6 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | trans | -141.3 | 138.3 | 161.7 | -67.7 | -168.2 | 178.6 | -174.5 | 0 | 110.4 | S901 | S901-K903 VanDerWaalsContact C-N 3.27Å; S901-K903 PolarHBondContact O-N 2.84Å | ||
| 904 | T | 48.2 | Very low | 53.8 | Low | 55 Ų | 55 | 88.7 Ų | 88.7 | 34% | 0.337 | 51% | 0.507 | S | S | . | . | trans | -65.5 | 165.9 | 164.9 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | T906 G907 R908 I910 | T904-T906 PolarHBondContact O-N 2.76Å; T904-T906 PolarHBondContact OG1-N 3.15Å; T904-T906 PolarHBondContact OG1-OG1 2.9Å; T904-G907 PolarHBondContact O-N 3.08Å; T904-G907 PolarHBondContact OG1-N 3.45Å; T904-R908 PolarHBondContact N-O 3.46Å; T904-R908 PolarHBondContact OG1-N 2.99Å; T904-R908 VanDerWaalsContact OG1-N 3.11Å; T904-R908 PolarHBondContact OG1-O 2.85Å; T904-I910 HydrophobicContact CG2-CG1 4.18Å | ||
| 905 | A | 46.4 | Very low | 54.5 | Low | 120 Ų | 120 | 85.7 Ų | 85.7 | 99% | 0.992 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 906 | T | 48.6 | Very low | 55.7 | Low | 112 Ų | 112 | 83.8 Ų | 83.8 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 10.8 | 174.3 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | T904 R908 | T904-T906 PolarHBondContact O-N 2.76Å; T904-T906 PolarHBondContact OG1-N 3.15Å; T904-T906 PolarHBondContact OG1-OG1 2.9Å; T906-R908 PolarHBondContact O-N 2.92Å |
| 907 | G | 46.1 | Very low | 57.1 | Low | 45 Ų | 45 | 82.3 Ų | 82.3 | 46% | 0.464 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 73.1 | 5.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T904 | T904-G907 PolarHBondContact O-N 3.08Å; T904-G907 PolarHBondContact OG1-N 3.45Å |
| 908 | R | 48.2 | Very low | 58.6 | Low | 190 Ų | 190 | 81.4 Ų | 81.4 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 148.5 | 180 | -67.8 | -178 | 174.4 | 175.7 | -2.3 | 111.1 | T904 T906 | T904-R908 PolarHBondContact N-O 3.46Å; T904-R908 PolarHBondContact OG1-N 2.99Å; T904-R908 VanDerWaalsContact OG1-N 3.11Å; T904-R908 PolarHBondContact OG1-O 2.85Å; T906-R908 PolarHBondContact O-N 2.92Å |
| 909 | N | 56 | Low | 60.4 | Low | 127 Ų | 127 | 75.4 Ų | 75.4 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 137.9 | 174.2 | -67.1 | -0.9 | 0 | 0 | 0 | 110 | ||
| 910 | I | 59.3 | Low | 62.6 | Low | 91 Ų | 91 | 70.8 Ų | 70.8 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 133.3 | 174.6 | -61.8 | 171.2 | 0 | 0 | 0 | 108.7 | V900 T904 | V900-I910 HydrophobicContact CG1-CD1 4.46Å; T904-I910 HydrophobicContact CG2-CG1 4.18Å |
| 911 | S | 64 | Low | 64.7 | Low | 33 Ų | 33 | 68.3 Ų | 68.3 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 157.3 | 178.3 | -48.8 | 0 | 0 | 0 | 0 | 112 | Q865 V913 | Q865-S911 WeakPolarHBondContact CG-OG 3.46Å; Q865-S911 PolarHBondContact NE2-OG 3.07Å; S911-V913 PolarHBondContact O-N 2.98Å |
| 912 | T | 69.3 | Low | 67 | Low | 29 Ų | 29 | 63.2 Ų | 63.2 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -51 | 126.8 | 172.7 | -47.3 | 0 | 0 | 0 | 0 | 111 | T870 D916 D941 G943 | T870-T912 PolarHBondContact OG1-OG1 3.02Å; T870-T912 VanDerWaalsContact OG1-OG1 3.11Å; T912-D916 HydrophobicContact CG2-CB 4.15Å; T912-D941 PolarHBondContact OG1-OD2 2.89Å; T912-G943 VanDerWaalsContact O-CA 3.31Å; T912-G943 WeakPolarHBondContact O-CA 3.43Å |
| 913 | V | 69.6 | Low | 68.9 | Low | 20 Ų | 20 | 60.1 Ų | 60.1 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 132.4 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 108 | W891 S911 V915 Y948 T1178 | W891-V913 HydrophobicContact CD2-CB 4.08Å; W891-V913 HydrophobicContact CD2-CG1 3.81Å; W891-V913 HydrophobicContact CE3-CB 4.28Å; W891-V913 HydrophobicContact CE3-CG1 4.14Å; W891-V913 HydrophobicContact CE3-CG2 4.45Å; W891-V913 HydrophobicContact CG-CB 4.19Å; W891-V913 HydrophobicContact CG-CG1 4.21Å; W891-V913 HydrophobicContact CZ2-CG1 4.19Å; W891-V913 HydrophobicContact CZ3-CG1 4.48Å; S911-V913 PolarHBondContact O-N 2.98Å; V913-V915 PolarHBondContact O-N 3.26Å; V913-Y948 HydrophobicContact CG1-CE1 4.33Å; V913-T1178 HydrophobicContact CG1-CG2 3.89Å |
| 914 | G | 74.9 | Confident | 70.5 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 62 | -125.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G943 H952 | G914-G943 WeakPolarHBondContact O-CA 3.36Å; G914-G943 PolarHBondContact O-N 3.1Å; G914-H952 PolarHBondContact O-NE2 3.11Å |
| 915 | V | 82 | Confident | 71.7 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.9 | -179.4 | -164.6 | 0 | 0 | 0 | 0 | 109.8 | V913 W940 D941 F942 F955 Q1167 C1170 | V913-V915 PolarHBondContact O-N 3.26Å; V915-W940 HydrophobicContact CG1-CB 4.28Å; V915-W940 HydrophobicContact CG1-CE3 3.92Å; V915-D941 WeakPolarHBondContact CA-O 3.44Å; V915-D941 WeakPolarHBondContact CG1-O 3.48Å; V915-F942 HydrophobicContact CB-CD1 4.35Å; V915-F942 HydrophobicContact CB-CE1 4.47Å; V915-F942 HydrophobicContact CG1-CD1 3.85Å; V915-F942 HydrophobicContact CG1-CD2 4.36Å; V915-F942 HydrophobicContact CG1-CE1 3.87Å; V915-F942 HydrophobicContact CG1-CE2 4.37Å; V915-F942 HydrophobicContact CG1-CG 4.12Å; V915-F942 HydrophobicContact CG1-CZ 4.13Å; V915-F942 HydrophobicContact CG2-CD1 3.52Å; V915-F942 HydrophobicContact CG2-CE1 3.68Å; V915-F942 HydrophobicContact CG2-CG 4.42Å; V915-F955 HydrophobicContact CG2-CD2 4.42Å; V915-Q1167 PolarHBondContact O-NE2 2.71Å; V915-Q1167 PolarHBondContact O-OE1 2.82Å; V915-C1170 HydrophobicContact CB-CB 4.2Å |
| 916 | D | 83.9 | Confident | 72.3 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.4 | 175.8 | -173.2 | 75 | 0 | 0 | 0 | 111.2 | S888 R894 T912 N918 D941 | S888-D916 PolarHBondContact OG-OD1 3.03Å; R894-D916 IonicContact CZ-OD1 2.79Å; R894-D916 IonicContact NH1-OD1 2.66Å; R894-D916 PolarHBondContact NH1-OD1 2.96Å; R894-D916 IonicContact NH2-OD1 2.95Å; T912-D916 HydrophobicContact CG2-CB 4.15Å; D916-N918 PolarHBondContact OD2-ND2 2.78Å; D916-D941 PolarHBondContact N-O 3Å; D916-D941 PolarHBondContact O-N 3.43Å |
| 917 | V | 84.9 | Confident | 72.6 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.6 | -173.7 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | R938 T939 W940 | V917-R938 HydrophobicContact CG1-CG 4.27Å; V917-T939 WeakPolarHBondContact CA-O 3.43Å; V917-W940 HydrophobicContact CG1-CD2 4.27Å; V917-W940 HydrophobicContact CG1-CG 4.46Å; V917-W940 HydrophobicContact CG1-CZ2 4.19Å; V917-W940 HydrophobicContact CG2-CD2 3.65Å; V917-W940 HydrophobicContact CG2-CE3 3.65Å; V917-W940 HydrophobicContact CG2-CG 4.23Å; V917-W940 HydrophobicContact CG2-CH2 4.08Å; V917-W940 HydrophobicContact CG2-CZ2 4.1Å; V917-W940 HydrophobicContact CG2-CZ3 3.86Å |
| 918 | N | 84.5 | Confident | 72.6 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | -175.5 | -171.3 | -96.6 | -71.4 | 0 | 0 | 0 | 111.3 | S888 D916 R938 T939 | S888-N918 WeakPolarHBondContact CB-ND2 3.16Å; D916-N918 PolarHBondContact OD2-ND2 2.78Å; N918-R938 CarbonylContact O-C 3.47Å; N918-R938 WeakPolarHBondContact O-CA 3.31Å; N918-T939 WeakPolarHBondContact CB-OG1 3.46Å; N918-T939 PolarHBondContact N-O 3.47Å; N918-T939 PolarHBondContact O-N 3.04Å; N918-T939 PolarHBondContact O-OG1 2.92Å |
| 919 | E | 85 | Confident | 72.9 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 153 | 176.9 | -62.8 | -177.8 | 144.7 | 0 | 0 | 112.6 | F937 | E919-F937 CarbonylContact C-O 3.6Å; E919-F937 WeakPolarHBondContact CA-O 3.47Å |
| 920 | W | 88 | Confident | 72.8 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 125.7 | 171.9 | 171.2 | 55.2 | 0 | 0 | 0 | 110 | L859 L876 R877 Y922 F937 T939 C1059 I1062 | L859-W920 HydrophobicContact CD2-CE3 3.77Å; L859-W920 HydrophobicContact CD2-CZ3 3.81Å; L876-W920 HydrophobicContact CB-CZ2 4.31Å; L876-W920 HydrophobicContact CD2-CH2 4.44Å; L876-W920 HydrophobicContact CD2-CZ2 4.43Å; L876-W920 PolarHBondContact O-NE1 3.05Å; R877-W920 HydrophobicContact CG-CB 4.39Å; R877-W920 HydrophobicContact CG-CG 4.49Å; W920-Y922 HydrophobicContact CH2-CG 4.2Å; W920-Y922 AromaticContact CZ2-CD2 3.83Å; W920-Y922 HydrophobicContact CZ2-CD2 3.83Å; W920-Y922 AromaticContact CZ2-CG 3.81Å; W920-Y922 HydrophobicContact CZ2-CG 3.81Å; W920-F937 HydrophobicContact CD2-CD2 4.33Å; W920-F937 HydrophobicContact CE3-CB 3.97Å; W920-F937 AromaticContact CE3-CD2 3.43Å; W920-F937 HydrophobicContact CE3-CD2 3.43Å; W920-F937 VanDerWaalsContact CE3-CD2 3.43Å; W920-F937 HydrophobicContact CE3-CE2 4.21Å; W920-F937 AromaticContact CE3-CG 3.93Å; W920-F937 HydrophobicContact CE3-CG 3.93Å; W920-F937 AromaticContact CZ3-CD2 3.56Å; W920-F937 HydrophobicContact CZ3-CD2 3.56Å; W920-F937 AromaticContact CZ3-CE2 3.87Å; W920-F937 HydrophobicContact CZ3-CE2 3.87Å; W920-F937 HydrophobicContact CZ3-CG 4.2Å; W920-F937 PolarHBondContact N-O 2.88Å; W920-F937 PolarHBondContact O-N 3.39Å; W920-T939 HydrophobicContact CB-CG2 3.62Å; W920-C1059 HydrophobicContact CH2-CB 4.42Å; W920-C1059 HydrophobicContact CZ2-CB 4.43Å; W920-I1062 HydrophobicContact CH2-CD1 4.31Å; W920-I1062 HydrophobicContact CZ3-CD1 4.35Å; W920-I1062 HydrophobicContact CZ3-CG2 4.09Å |
| 921 | T | 87.9 | Confident | 72.8 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.5 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | G880 T881 V882 P934 I935 T936 | G880-T921 WeakPolarHBondContact CA-O 3.49Å; T881-T921 PolarHBondContact N-O 2.87Å; T881-T921 VanDerWaalsContact N-O 3.09Å; V882-T921 HydrophobicContact CG2-CG2 3.89Å; T921-P934 HydrophobicContact CG2-CB 4.3Å; T921-I935 WeakPolarHBondContact CA-O 3.29Å; T921-T936 PolarHBondContact OG1-OG1 3.09Å |
| 922 | Y | 88.9 | Confident | 73.1 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.7 | -178.4 | -168.9 | -109.2 | 0 | 0 | 0 | 112.7 | E879 W920 P924 I935 C1059 Y1063 | E879-Y922 WeakPolarHBondContact O-CE2 3.44Å; W920-Y922 HydrophobicContact CH2-CG 4.2Å; W920-Y922 AromaticContact CZ2-CD2 3.83Å; W920-Y922 HydrophobicContact CZ2-CD2 3.83Å; W920-Y922 AromaticContact CZ2-CG 3.81Å; W920-Y922 HydrophobicContact CZ2-CG 3.81Å; Y922-P924 HydrophobicContact CD1-CG 4.4Å; Y922-P924 HydrophobicContact CE1-CB 4.47Å; Y922-P924 HydrophobicContact CE1-CG 3.89Å; Y922-I935 PolarHBondContact N-O 3.26Å; Y922-I935 PolarHBondContact O-N 3.17Å; Y922-C1059 HydrophobicContact CD1-CB 4.26Å; Y922-C1059 HydrophobicContact CD2-CB 4.32Å; Y922-C1059 HydrophobicContact CE1-CB 3.7Å; Y922-C1059 HydrophobicContact CE2-CB 3.77Å; Y922-C1059 VanDerWaalsContact CZ-CB 3.43Å; Y922-Y1063 HydrophobicContact CD1-CD2 4.09Å |
| 923 | Q | 85.6 | Confident | 73.6 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 36% | 0.36 | 39% | 0.393 | S | S | . | . | trans | -146.6 | 119.6 | 173 | -168.3 | -175.1 | 21.6 | 0 | 0 | 109 | T881 R932 P934 | T881-Q923 HydrophobicContact CG2-CB 4.1Å; Q923-R932 PolarHBondContact NE2-O 2.92Å; Q923-P934 HydrophobicContact CB-CB 4.12Å; Q923-P934 HydrophobicContact CG-CB 4.34Å | ||
| 924 | P | 79.2 | Confident | 74.4 | Confident | 9 Ų | 9 | 84.1 Ų | 84.1 | 6% | 0.058 | 41% | 0.405 | C | S | . | . | trans | -63.3 | 147.9 | 177.9 | -21.9 | 31.3 | 0 | 0 | 0 | 112.4 | Y922 R932 D1060 Y1063 | Y922-P924 HydrophobicContact CD1-CG 4.4Å; Y922-P924 HydrophobicContact CE1-CB 4.47Å; Y922-P924 HydrophobicContact CE1-CG 3.89Å; P924-R932 VanDerWaalsContact CB-NH1 3.3Å; P924-D1060 WeakPolarHBondContact CB-OD1 3.26Å; P924-Y1063 VanDerWaalsContact CD-CD2 3.48Å; P924-Y1063 HydrophobicContact CG-CD1 3.73Å; P924-Y1063 HydrophobicContact CG-CD2 3.82Å; P924-Y1063 HydrophobicContact CG-CE1 3.98Å; P924-Y1063 HydrophobicContact CG-CE2 4.05Å; P924-Y1063 HydrophobicContact CG-CG 3.66Å | ||
| 925 | R | 72.9 | Confident | 75 | Confident | 207 Ų | 207 | 84 Ų | 84 | 78% | 0.781 | 41% | 0.405 | S | S | * | . | trans | -65.3 | 144.3 | 176.8 | -74.9 | -174.4 | 172.5 | -177.9 | -2.6 | 111 | Q927 | R925-Q927 PolarHBondContact O-N 3.45Å; R925-Q927 VanDerWaalsContact O-N 3.15Å | ||
| 926 | R | 59.1 | Low | 75.3 | Confident | 232 Ų | 232 | 85.4 Ų | 85.4 | 88% | 0.875 | 41% | 0.413 | S | S | * | . | trans | -56 | 113.3 | -175.9 | -83.1 | -179.2 | 164.5 | 179.5 | -5.3 | 112.9 | ||||
| 927 | Q | 54.3 | Low | 75.6 | Confident | 143 Ų | 143 | 84.2 Ų | 84.2 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | trans | -78.9 | 149.5 | 146.3 | -91.3 | 174.6 | -32.2 | 0 | 0 | 109.3 | R925 G929 | R925-Q927 PolarHBondContact O-N 3.45Å; R925-Q927 VanDerWaalsContact O-N 3.15Å; Q927-G929 PolarHBondContact O-N 2.96Å | ||
| 928 | K | 46.4 | Very low | 75.8 | Confident | 224 Ų | 224 | 85.3 Ų | 85.3 | 97% | 0.974 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 121.2 | 179.7 | -71.7 | -179 | 175.3 | 179.7 | 0 | 110.5 | ||
| 929 | G | 54.4 | Low | 76 | Confident | 83 Ų | 83 | 83.5 Ų | 83.5 | 86% | 0.856 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.2 | -22 | 163 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q927 | Q927-G929 PolarHBondContact O-N 2.96Š|
| 930 | R | 54.4 | Low | 76.3 | Confident | 218 Ų | 218 | 79.1 Ų | 79.1 | 82% | 0.823 | 38% | 0.378 | S | S | * | . | trans | -127.8 | 133 | 177.3 | -73.2 | -170.8 | 176.8 | -168.8 | -0.8 | 112.7 | R932 | R930-R932 PolarHBondContact O-N 3.33Š| ||
| 931 | V | 58.8 | Low | 76.3 | Confident | 125 Ų | 125 | 78.9 Ų | 78.9 | 76% | 0.758 | 38% | 0.377 | S | S | * | . | trans | -79.3 | 110.4 | 169.6 | 179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 932 | R | 71.6 | Confident | 76.1 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 128.1 | 175.1 | -69.5 | -170.9 | -171.7 | -174 | 7.4 | 109.8 | Q923 P924 R930 D1060 | Q923-R932 PolarHBondContact NE2-O 2.92Å; P924-R932 VanDerWaalsContact CB-NH1 3.3Å; R930-R932 PolarHBondContact O-N 3.33Å; R932-D1060 IonicContact NH1-OD1 3.94Å |
| 933 | V | 78.3 | Confident | 75.5 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -76 | 138.5 | -179.2 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | A855 Y1063 | A855-V933 HydrophobicContact CB-CG1 4.43Å; V933-Y1063 PolarHBondContact N-OH 3.16Å; V933-Y1063 WeakPolarHBondContact O-CE2 3.26Å; V933-Y1063 PolarHBondContact O-OH 2.9Å |
| 934 | P | 86.4 | Confident | 74.9 | Confident | 59 Ų | 59 | 74 Ų | 74 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 137.9 | 170.8 | 29.1 | -34.7 | 0 | 0 | 0 | 110.8 | T921 Q923 | T921-P934 HydrophobicContact CG2-CB 4.3Å; Q923-P934 HydrophobicContact CB-CB 4.12Å; Q923-P934 HydrophobicContact CG-CB 4.34Å |
| 935 | I | 88.4 | Confident | 74.7 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.5 | 177.8 | -55.4 | 167 | 0 | 0 | 0 | 108.7 | T921 Y922 F937 Y1063 A1066 T1067 I1079 | T921-I935 WeakPolarHBondContact CA-O 3.29Å; Y922-I935 PolarHBondContact N-O 3.26Å; Y922-I935 PolarHBondContact O-N 3.17Å; I935-F937 HydrophobicContact CB-CE2 3.93Å; I935-F937 HydrophobicContact CB-CZ 4.05Å; I935-F937 HydrophobicContact CD1-CZ 4.36Å; I935-F937 HydrophobicContact CG2-CD1 4.41Å; I935-F937 HydrophobicContact CG2-CD2 4.26Å; I935-F937 HydrophobicContact CG2-CE1 3.91Å; I935-F937 HydrophobicContact CG2-CE2 3.75Å; I935-F937 HydrophobicContact CG2-CZ 3.56Å; I935-Y1063 HydrophobicContact CD1-CD2 3.54Å; I935-Y1063 HydrophobicContact CD1-CE2 3.36Å; I935-Y1063 HydrophobicContact CD1-CG 4.21Å; I935-Y1063 HydrophobicContact CG1-CD2 4.23Å; I935-Y1063 HydrophobicContact CG1-CE2 3.74Å; I935-A1066 HydrophobicContact CD1-CB 4.03Å; I935-T1067 HydrophobicContact CD1-CG2 4.25Å; I935-I1079 HydrophobicContact CD1-CD1 3.49Å; I935-I1079 VanDerWaalsContact CD1-CD1 3.49Å; I935-I1079 HydrophobicContact CG1-CD1 3.98Å; I935-I1079 HydrophobicContact CG2-CD1 4.16Å |
| 936 | T | 89.1 | Confident | 74.5 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 18% | 0.184 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.8 | 173.6 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | A855 R856 L857 T921 | A855-T936 PolarHBondContact O-N 2.98Å; R856-T936 VanDerWaalsContact CA-O 3.25Å; R856-T936 WeakPolarHBondContact CA-O 3.4Å; L857-T936 PolarHBondContact N-O 3.36Å; L857-T936 VanDerWaalsContact N-O 3.11Å; T921-T936 PolarHBondContact OG1-OG1 3.09Å |
| 937 | F | 89.8 | Confident | 75 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.4 | 176 | -61.1 | -80.8 | 0 | 0 | 0 | 110.5 | L857 L859 E919 W920 I935 T939 I961 I1062 A1066 | L857-F937 HydrophobicContact CB-CD1 4.24Å; L857-F937 HydrophobicContact CB-CE1 4.41Å; L857-F937 CarbonylContact O-C 3.58Å; L857-F937 VanDerWaalsContact O-CA 3.31Å; L857-F937 WeakPolarHBondContact O-CA 3.27Å; L859-F937 HydrophobicContact CB-CB 3.89Å; L859-F937 HydrophobicContact CB-CD1 4.15Å; L859-F937 HydrophobicContact CB-CG 4.33Å; L859-F937 HydrophobicContact CD2-CB 4.27Å; L859-F937 HydrophobicContact CD2-CG 4.42Å; E919-F937 CarbonylContact C-O 3.6Å; E919-F937 WeakPolarHBondContact CA-O 3.47Å; W920-F937 HydrophobicContact CD2-CD2 4.33Å; W920-F937 HydrophobicContact CE3-CB 3.97Å; W920-F937 AromaticContact CE3-CD2 3.43Å; W920-F937 HydrophobicContact CE3-CD2 3.43Å; W920-F937 VanDerWaalsContact CE3-CD2 3.43Å; W920-F937 HydrophobicContact CE3-CE2 4.21Å; W920-F937 AromaticContact CE3-CG 3.93Å; W920-F937 HydrophobicContact CE3-CG 3.93Å; W920-F937 AromaticContact CZ3-CD2 3.56Å; W920-F937 HydrophobicContact CZ3-CD2 3.56Å; W920-F937 AromaticContact CZ3-CE2 3.87Å; W920-F937 HydrophobicContact CZ3-CE2 3.87Å; W920-F937 HydrophobicContact CZ3-CG 4.2Å; W920-F937 PolarHBondContact N-O 2.88Å; W920-F937 PolarHBondContact O-N 3.39Å; I935-F937 HydrophobicContact CB-CE2 3.93Å; I935-F937 HydrophobicContact CB-CZ 4.05Å; I935-F937 HydrophobicContact CD1-CZ 4.36Å; I935-F937 HydrophobicContact CG2-CD1 4.41Å; I935-F937 HydrophobicContact CG2-CD2 4.26Å; I935-F937 HydrophobicContact CG2-CE1 3.91Å; I935-F937 HydrophobicContact CG2-CE2 3.75Å; I935-F937 HydrophobicContact CG2-CZ 3.56Å; F937-T939 HydrophobicContact CB-CG2 4.47Å; F937-T939 PolarHBondContact O-N 3.42Å; F937-I961 HydrophobicContact CE1-CD1 4.02Å; F937-I1062 HydrophobicContact CE1-CG2 4.1Å; F937-I1062 HydrophobicContact CE2-CG2 4.37Å; F937-I1062 HydrophobicContact CZ-CG2 3.92Å; F937-A1066 HydrophobicContact CE1-CB 3.86Å; F937-A1066 HydrophobicContact CZ-CB 3.84Å |
| 938 | R | 88.4 | Confident | 75.9 | Confident | 47 Ų | 47 | 57 Ų | 57 | 18% | 0.177 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 104.7 | 168.2 | -157.2 | 171.6 | -176.9 | 120.2 | -12 | 107.2 | L857 L859 V917 N918 G1148 V1149 | L857-R938 PolarHBondContact O-N 3.44Å; L859-R938 PolarHBondContact N-O 2.66Å; V917-R938 HydrophobicContact CG1-CG 4.27Å; N918-R938 CarbonylContact O-C 3.47Å; N918-R938 WeakPolarHBondContact O-CA 3.31Å; R938-G1148 WeakPolarHBondContact CD-O 3.41Å; R938-G1148 VanDerWaalsContact CZ-O 3.3Å; R938-G1148 PolarHBondContact NE-O 3.38Å; R938-G1148 PolarHBondContact NH2-O 3.2Å; R938-V1149 PolarHBondContact NH2-O 2.62Å |
| 939 | T | 89.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.4 | -170.2 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | L859 L873 R877 V917 N918 W920 F937 | L859-T939 HydrophobicContact CD2-CG2 4.41Å; L859-T939 CarbonylContact O-C 3.59Å; L859-T939 WeakPolarHBondContact O-CA 3.4Å; L873-T939 HydrophobicContact CD1-CG2 3.89Å; R877-T939 PolarHBondContact NH2-OG1 3.04Å; V917-T939 WeakPolarHBondContact CA-O 3.43Å; N918-T939 WeakPolarHBondContact CB-OG1 3.46Å; N918-T939 PolarHBondContact N-O 3.47Å; N918-T939 PolarHBondContact O-N 3.04Å; N918-T939 PolarHBondContact O-OG1 2.92Å; W920-T939 HydrophobicContact CB-CG2 3.62Å; F937-T939 HydrophobicContact CB-CG2 4.47Å; F937-T939 PolarHBondContact O-N 3.42Å |
| 940 | W | 90.2 | Very high | 77.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 107.5 | 175.6 | -64.9 | 60.3 | 0 | 0 | 0 | 109 | L859 M860 I861 V915 V917 F942 F955 P1166 | L859-W940 PolarHBondContact O-N 3.05Å; M860-W940 HydrophobicContact CE-CG 4.48Å; M860-W940 HydrophobicContact SD-CB 3.73Å; M860-W940 HydrophobicContact SD-CD2 4.2Å; M860-W940 HydrophobicContact SD-CG 3.64Å; I861-W940 PolarHBondContact N-O 2.99Å; V915-W940 HydrophobicContact CG1-CB 4.28Å; V915-W940 HydrophobicContact CG1-CE3 3.92Å; V917-W940 HydrophobicContact CG1-CD2 4.27Å; V917-W940 HydrophobicContact CG1-CG 4.46Å; V917-W940 HydrophobicContact CG1-CZ2 4.19Å; V917-W940 HydrophobicContact CG2-CD2 3.65Å; V917-W940 HydrophobicContact CG2-CE3 3.65Å; V917-W940 HydrophobicContact CG2-CG 4.23Å; V917-W940 HydrophobicContact CG2-CH2 4.08Å; V917-W940 HydrophobicContact CG2-CZ2 4.1Å; V917-W940 HydrophobicContact CG2-CZ3 3.86Å; W940-F942 HydrophobicContact CB-CD2 4.31Å; W940-F942 HydrophobicContact CB-CE2 3.67Å; W940-F942 HydrophobicContact CB-CZ 4.26Å; W940-F942 HydrophobicContact CE3-CZ 4.24Å; W940-F955 HydrophobicContact CE3-CB 4.1Å; W940-F955 HydrophobicContact CE3-CG 4.49Å; W940-F955 HydrophobicContact CH2-CD1 4.18Å; W940-F955 HydrophobicContact CZ3-CB 3.77Å; W940-F955 AromaticContact CZ3-CD1 3.65Å; W940-F955 HydrophobicContact CZ3-CD1 3.65Å; W940-F955 HydrophobicContact CZ3-CE1 4.46Å; W940-F955 AromaticContact CZ3-CG 3.85Å; W940-F955 HydrophobicContact CZ3-CG 3.85Å; W940-P1166 HydrophobicContact CH2-CB 3.76Å; W940-P1166 HydrophobicContact CZ2-CB 4.25Å |
| 941 | D | 88.1 | Confident | 78.4 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 110.7 | 172.4 | -175.6 | 37.7 | 0 | 0 | 0 | 109.3 | T870 L873 T912 V915 D916 | T870-D941 WeakPolarHBondContact CB-OD2 3.12Å; T870-D941 PolarHBondContact OG1-OD2 2.63Å; L873-D941 HydrophobicContact CD2-CB 3.89Å; T912-D941 PolarHBondContact OG1-OD2 2.89Å; V915-D941 WeakPolarHBondContact CA-O 3.44Å; V915-D941 WeakPolarHBondContact CG1-O 3.48Å; D916-D941 PolarHBondContact N-O 3Å; D916-D941 PolarHBondContact O-N 3.43Å |
| 942 | F | 84.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 139.2 | -179.5 | -73.4 | -91.1 | 0 | 0 | 0 | 111.4 | M860 I861 V862 K869 V915 W940 G944 H952 F955 | M860-F942 HydrophobicContact CB-CE2 4.29Å; M860-F942 HydrophobicContact CE-CE2 3.64Å; M860-F942 HydrophobicContact CE-CZ 3.53Å; M860-F942 HydrophobicContact SD-CE2 4.09Å; M860-F942 HydrophobicContact SD-CZ 4.47Å; I861-F942 PolarHBondContact O-N 3.07Å; I861-F942 VanDerWaalsContact O-N 3.16Å; V862-F942 HydrophobicContact CG1-CB 4.37Å; V862-F942 HydrophobicContact CG1-CD2 3.74Å; V862-F942 HydrophobicContact CG1-CE2 4.3Å; V862-F942 HydrophobicContact CG1-CG 4.13Å; K869-F942 WeakPolarHBondContact CE-O 3.38Å; K869-F942 PolarHBondContact NZ-O 3.43Å; V915-F942 HydrophobicContact CB-CD1 4.35Å; V915-F942 HydrophobicContact CB-CE1 4.47Å; V915-F942 HydrophobicContact CG1-CD1 3.85Å; V915-F942 HydrophobicContact CG1-CD2 4.36Å; V915-F942 HydrophobicContact CG1-CE1 3.87Å; V915-F942 HydrophobicContact CG1-CE2 4.37Å; V915-F942 HydrophobicContact CG1-CG 4.12Å; V915-F942 HydrophobicContact CG1-CZ 4.13Å; V915-F942 HydrophobicContact CG2-CD1 3.52Å; V915-F942 HydrophobicContact CG2-CE1 3.68Å; V915-F942 HydrophobicContact CG2-CG 4.42Å; W940-F942 HydrophobicContact CB-CD2 4.31Å; W940-F942 HydrophobicContact CB-CE2 3.67Å; W940-F942 HydrophobicContact CB-CZ 4.26Å; W940-F942 HydrophobicContact CE3-CZ 4.24Å; F942-G944 PolarHBondContact O-N 3.23Å; F942-H952 HydrophobicContact CD1-CB 3.68Å; F942-H952 AromaticContact CD1-CD2 3.54Å; F942-H952 AromaticContact CD1-CG 3.49Å; F942-H952 VanDerWaalsContact CD1-CG 3.49Å; F942-H952 HydrophobicContact CE1-CB 3.93Å; F942-F955 HydrophobicContact CE1-CB 4.1Å; F942-F955 HydrophobicContact CE1-CD2 4.33Å; F942-F955 HydrophobicContact CZ-CB 4Å |
| 943 | G | 76.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -54 | 138.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | T912 G914 Q945 H952 | T912-G943 VanDerWaalsContact O-CA 3.31Å; T912-G943 WeakPolarHBondContact O-CA 3.43Å; G914-G943 WeakPolarHBondContact O-CA 3.36Å; G914-G943 PolarHBondContact O-N 3.1Å; G943-Q945 VanDerWaalsContact C-N 3.27Å; G943-H952 PolarHBondContact O-CE1 2.91Å | ||
| 944 | G | 72 | Confident | 78.8 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 5% | 0.052 | 11% | 0.107 | C | C | . | . | trans | -86.4 | 0.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G863 Q865 F942 Y949 | G863-G944 WeakPolarHBondContact O-CA 3.43Å; Q865-G944 WeakPolarHBondContact CB-O 3.35Å; Q865-G944 PolarHBondContact N-O 2.94Å; F942-G944 PolarHBondContact O-N 3.23Å; G944-Y949 PolarHBondContact O-OH 3.1Å | ||
| 945 | Q | 75.5 | Confident | 78.5 | Confident | 15 Ų | 15 | 19.9 Ų | 19.9 | 7% | 0.07 | 9% | 0.09 | C | C | . | . | trans | -74.9 | 125.4 | -178.5 | -74.7 | 156.8 | 2.8 | 0 | 0 | 109.2 | Q865 G943 E947 Y948 Y949 | Q865-Q945 HydrophobicContact CG-CG 4.38Å; G943-Q945 VanDerWaalsContact C-N 3.27Å; Q945-E947 VanDerWaalsContact C-OE2 3.29Å; Q945-E947 WeakPolarHBondContact CB-OE2 3.29Å; Q945-E947 PolarHBondContact O-N 3.4Å; Q945-Y948 HydrophobicContact CB-CD2 3.51Å; Q945-Y948 HydrophobicContact CB-CE2 3.63Å; Q945-Y948 HydrophobicContact CG-CE2 4.39Å; Q945-Y948 PolarHBondContact O-N 3.23Å; Q945-Y949 VanDerWaalsContact O-CD1 3.25Å; Q945-Y949 WeakPolarHBondContact O-CD1 3.46Å; Q945-Y949 WeakPolarHBondContact O-CE1 3.41Å | ||
| 946 | R | 69 | Low | 78 | Confident | 146 Ų | 146 | 20.6 Ų | 20.6 | 55% | 0.551 | 9% | 0.094 | S | C | * | . | G | 310 helix | trans | -60.4 | -31.2 | -172.8 | -70.8 | -175.5 | 175.7 | -174 | -1.3 | 111.9 | Y948 Y949 E977 | R946-Y948 PolarHBondContact O-N 3.33Å; R946-Y948 VanDerWaalsContact O-N 3.12Å; R946-Y949 HydrophobicContact CG-CE2 4.14Å; R946-Y949 WeakPolarHBondContact O-CB 3.31Å; R946-Y949 PolarHBondContact O-N 2.85Å; R946-Y949 VanDerWaalsContact O-N 3.11Å; R946-E977 IonicContact CZ-OE1 2.81Å; R946-E977 IonicContact NE-OE1 3.91Å; R946-E977 IonicContact NH2-OE1 2.77Å; R946-E977 PolarHBondContact NH2-OE1 3.47Å |
| 947 | E | 69.8 | Low | 77.4 | Confident | 72 Ų | 72 | 19.6 Ų | 19.6 | 34% | 0.336 | 9% | 0.088 | S | C | . | . | G | 310 helix | trans | -55.1 | -30.6 | -179.5 | -57.7 | 92.8 | 143.1 | 0 | 0 | 113 | Q945 I1177 S1236 L1237 | Q945-E947 VanDerWaalsContact C-OE2 3.29Å; Q945-E947 WeakPolarHBondContact CB-OE2 3.29Å; Q945-E947 PolarHBondContact O-N 3.4Å; E947-I1177 HydrophobicContact CB-CG2 3.65Å; E947-I1177 WeakPolarHBondContact O-CG2 3.49Å; E947-S1236 VanDerWaalsContact O-CB 3.23Å; E947-S1236 WeakPolarHBondContact O-CB 3.12Å; E947-S1236 PolarHBondContact O-OG 2.66Å; E947-L1237 HydrophobicContact CG-CD2 4.19Å |
| 948 | Y | 71.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -97.9 | -5.7 | -176.2 | -53.9 | -100.6 | 0 | 0 | 0 | 113.6 | V913 Q945 R946 A950 T951 H952 A1174 I1177 T1178 | V913-Y948 HydrophobicContact CG1-CE1 4.33Å; Q945-Y948 HydrophobicContact CB-CD2 3.51Å; Q945-Y948 HydrophobicContact CB-CE2 3.63Å; Q945-Y948 HydrophobicContact CG-CE2 4.39Å; Q945-Y948 PolarHBondContact O-N 3.23Å; R946-Y948 PolarHBondContact O-N 3.33Å; R946-Y948 VanDerWaalsContact O-N 3.12Å; Y948-A950 PolarHBondContact O-N 3.49Å; Y948-T951 PolarHBondContact O-N 3.31Å; Y948-T951 PolarHBondContact O-OG1 2.86Å; Y948-H952 VanDerWaalsContact CB-CE1 3.46Å; Y948-H952 WeakPolarHBondContact CB-CE1 3.32Å; Y948-H952 VanDerWaalsContact CB-NE2 3.32Å; Y948-H952 WeakPolarHBondContact CB-NE2 3.32Å; Y948-H952 PolarHBondContact O-CD2 2.63Å; Y948-H952 VanDerWaalsContact O-CD2 3.29Å; Y948-H952 VanDerWaalsContact O-CG 3.26Å; Y948-H952 PolarHBondContact O-N 3.03Å; Y948-A1174 HydrophobicContact CD1-CB 4.27Å; Y948-A1174 HydrophobicContact CE1-CB 3.86Å; Y948-I1177 HydrophobicContact CD1-CB 4.12Å; Y948-I1177 HydrophobicContact CD1-CD1 4.32Å; Y948-I1177 HydrophobicContact CD1-CG2 3.84Å; Y948-I1177 HydrophobicContact CD2-CG2 4.25Å; Y948-I1177 HydrophobicContact CE1-CB 3.95Å; Y948-I1177 HydrophobicContact CE1-CG2 3.8Å; Y948-I1177 HydrophobicContact CE2-CG2 4.2Å; Y948-I1177 HydrophobicContact CG-CG2 4.06Å; Y948-T1178 WeakPolarHBondContact OH-CG2 3.21Å |
| 949 | Y | 73.8 | Confident | 76.4 | Confident | 39 Ų | 39 | 24 Ų | 24 | 15% | 0.153 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.4 | -30.8 | -176.1 | -72.8 | 12 | 0 | 0 | 0 | 111.9 | V864 G944 Q945 R946 T951 H952 W981 | V864-Y949 WeakPolarHBondContact CA-OH 3.38Å; G944-Y949 PolarHBondContact O-OH 3.1Å; Q945-Y949 VanDerWaalsContact O-CD1 3.25Å; Q945-Y949 WeakPolarHBondContact O-CD1 3.46Å; Q945-Y949 WeakPolarHBondContact O-CE1 3.41Å; R946-Y949 HydrophobicContact CG-CE2 4.14Å; R946-Y949 WeakPolarHBondContact O-CB 3.31Å; R946-Y949 PolarHBondContact O-N 2.85Å; R946-Y949 VanDerWaalsContact O-N 3.11Å; Y949-T951 PolarHBondContact O-N 3.11Å; Y949-H952 AromaticContact CD1-ND1 3.96Å; Y949-H952 PolarHBondContact O-N 3.18Å; Y949-W981 HydrophobicContact CD1-CH2 4.3Å; Y949-W981 AromaticContact CD1-CZ2 3.71Å; Y949-W981 HydrophobicContact CD1-CZ2 3.71Å; Y949-W981 HydrophobicContact CD2-CZ2 4.29Å; Y949-W981 AromaticContact CE1-CZ2 3.56Å; Y949-W981 HydrophobicContact CE1-CZ2 3.56Å; Y949-W981 HydrophobicContact CE2-CZ2 4.17Å; Y949-W981 AromaticContact CE2-NE1 3.74Å; Y949-W981 HydrophobicContact CG-CZ2 4.08Å; Y949-W981 AromaticContact CZ-CE2 3.98Å; Y949-W981 AromaticContact CZ-CZ2 3.8Å; Y949-W981 AromaticContact CZ-NE1 3.64Å |
| 950 | A | 63.3 | Low | 76.3 | Confident | 21 Ų | 21 | 24 Ų | 24 | 17% | 0.174 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.1 | -31.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y948 Q953 Y954 | Y948-A950 PolarHBondContact O-N 3.49Å; A950-Q953 WeakPolarHBondContact O-CG 3.42Å; A950-Q953 PolarHBondContact O-NE2 3.34Å; A950-Q953 VanDerWaalsContact O-NE2 3.1Å; A950-Y954 WeakPolarHBondContact O-CD2 3.27Å; A950-Y954 VanDerWaalsContact O-CE2 3.32Å; A950-Y954 WeakPolarHBondContact O-CE2 3.17Å |
| 951 | T | 70.6 | Confident | 76.3 | Confident | 4 Ų | 4 | 24 Ų | 24 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -80.9 | -36 | 173.2 | 63 | 0 | 0 | 0 | 0 | 111.9 | Y948 Y949 Q953 Y954 F955 L1173 I1177 V1223 | Y948-T951 PolarHBondContact O-N 3.31Å; Y948-T951 PolarHBondContact O-OG1 2.86Å; Y949-T951 PolarHBondContact O-N 3.11Å; T951-Q953 PolarHBondContact O-N 3.14Å; T951-Q953 VanDerWaalsContact O-N 3.16Å; T951-Y954 PolarHBondContact O-N 2.79Å; T951-F955 WeakPolarHBondContact O-CD2 3.49Å; T951-L1173 HydrophobicContact CG2-CB 3.97Å; T951-L1173 HydrophobicContact CG2-CD1 4.42Å; T951-I1177 HydrophobicContact CG2-CD1 3.43Å; T951-I1177 VanDerWaalsContact CG2-CD1 3.43Å; T951-V1223 HydrophobicContact CG2-CG2 3.4Å |
| 952 | H | 75 | Confident | 76.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.3 | -33.4 | -171.3 | -63 | 168.6 | 0 | 0 | 0 | 112.9 | G914 F942 G943 Y948 Y949 Y954 F955 W981 | G914-H952 PolarHBondContact O-NE2 3.11Å; F942-H952 HydrophobicContact CD1-CB 3.68Å; F942-H952 AromaticContact CD1-CD2 3.54Å; F942-H952 AromaticContact CD1-CG 3.49Å; F942-H952 VanDerWaalsContact CD1-CG 3.49Å; F942-H952 HydrophobicContact CE1-CB 3.93Å; G943-H952 PolarHBondContact O-CE1 2.91Å; Y948-H952 VanDerWaalsContact CB-CE1 3.46Å; Y948-H952 WeakPolarHBondContact CB-CE1 3.32Å; Y948-H952 VanDerWaalsContact CB-NE2 3.32Å; Y948-H952 WeakPolarHBondContact CB-NE2 3.32Å; Y948-H952 PolarHBondContact O-CD2 2.63Å; Y948-H952 VanDerWaalsContact O-CD2 3.29Å; Y948-H952 VanDerWaalsContact O-CG 3.26Å; Y948-H952 PolarHBondContact O-N 3.03Å; Y949-H952 AromaticContact CD1-ND1 3.96Å; Y949-H952 PolarHBondContact O-N 3.18Å; H952-Y954 PolarHBondContact O-N 2.97Å; H952-F955 PolarHBondContact O-N 3.46Å; H952-W981 HydrophobicContact CB-CH2 4.01Å; H952-W981 HydrophobicContact CB-CZ3 4.39Å; H952-W981 AromaticContact ND1-CH2 3.73Å |
| 953 | Q | 70.5 | Confident | 77 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.7 | 177 | 51.6 | 161.8 | -13.5 | 0 | 0 | 115.1 | A950 T951 L956 R988 E1222 S1332 | A950-Q953 WeakPolarHBondContact O-CG 3.42Å; A950-Q953 PolarHBondContact O-NE2 3.34Å; A950-Q953 VanDerWaalsContact O-NE2 3.1Å; T951-Q953 PolarHBondContact O-N 3.14Å; T951-Q953 VanDerWaalsContact O-N 3.16Å; Q953-L956 HydrophobicContact CB-CD1 4.24Å; Q953-L956 WeakPolarHBondContact O-CG 3.45Å; Q953-R988 HydrophobicContact CB-CG 4.18Å; Q953-R988 VanDerWaalsContact OE1-CZ 3.23Å; Q953-E1222 PolarHBondContact NE2-OE2 2.89Å; Q953-S1332 VanDerWaalsContact OE1-CB 3.3Å; Q953-S1332 PolarHBondContact OE1-OG 3.24Å |
| 954 | Y | 72.3 | Confident | 77.8 | Confident | 23 Ų | 23 | 24 Ų | 24 | 9% | 0.09 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5.6 | -177.8 | -67.8 | -84.3 | 0 | 0 | 0 | 115.3 | A950 T951 H952 R988 Y1153 K1220 F1221 E1222 | A950-Y954 WeakPolarHBondContact O-CD2 3.27Å; A950-Y954 VanDerWaalsContact O-CE2 3.32Å; A950-Y954 WeakPolarHBondContact O-CE2 3.17Å; T951-Y954 PolarHBondContact O-N 2.79Å; H952-Y954 PolarHBondContact O-N 2.97Å; Y954-R988 PolarHBondContact OH-NH2 2.67Å; Y954-Y1153 PolarHBondContact O-OH 3.34Å; Y954-K1220 WeakPolarHBondContact CE1-O 3.21Å; Y954-K1220 PolarHBondContact OH-O 3.11Å; Y954-F1221 HydrophobicContact CD1-CD1 4.18Å; Y954-F1221 HydrophobicContact CD1-CE1 4.48Å; Y954-F1221 HydrophobicContact CD1-CG 4.33Å; Y954-F1221 HydrophobicContact CD2-CB 4.06Å; Y954-F1221 AromaticContact CD2-CD1 3.69Å; Y954-F1221 HydrophobicContact CD2-CD1 3.69Å; Y954-F1221 HydrophobicContact CD2-CG 4.09Å; Y954-F1221 VanDerWaalsContact CE2-CA 3.41Å; Y954-F1221 HydrophobicContact CE2-CB 4.18Å; Y954-F1221 WeakPolarHBondContact CE2-O 3.35Å; Y954-F1221 HydrophobicContact CG-CB 4.41Å; Y954-F1221 AromaticContact CG-CD1 3.46Å; Y954-F1221 HydrophobicContact CG-CD1 3.46Å; Y954-F1221 VanDerWaalsContact CG-CD1 3.46Å; Y954-F1221 AromaticContact CG-CE1 3.89Å; Y954-F1221 HydrophobicContact CG-CE1 3.89Å; Y954-F1221 AromaticContact CG-CG 3.96Å; Y954-F1221 HydrophobicContact CG-CG 3.96Å; Y954-E1222 WeakPolarHBondContact OH-CG 3.47Å; Y954-E1222 PolarHBondContact OH-OE1 3.23Å; Y954-E1222 PolarHBondContact OH-OE2 3Å |
| 955 | F | 79.3 | Confident | 78.8 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -100.4 | -8.4 | 174.6 | -59.8 | -68.7 | 0 | 0 | 0 | 112.5 | K858 M860 V915 W940 F942 T951 H952 L1151 L1169 C1170 L1173 F1221 | K858-F955 PolarHBondContact NZ-O 2.9Å; M860-F955 WeakPolarHBondContact CE-O 3.41Å; V915-F955 HydrophobicContact CG2-CD2 4.42Å; W940-F955 HydrophobicContact CE3-CB 4.1Å; W940-F955 HydrophobicContact CE3-CG 4.49Å; W940-F955 HydrophobicContact CH2-CD1 4.18Å; W940-F955 HydrophobicContact CZ3-CB 3.77Å; W940-F955 AromaticContact CZ3-CD1 3.65Å; W940-F955 HydrophobicContact CZ3-CD1 3.65Å; W940-F955 HydrophobicContact CZ3-CE1 4.46Å; W940-F955 AromaticContact CZ3-CG 3.85Å; W940-F955 HydrophobicContact CZ3-CG 3.85Å; F942-F955 HydrophobicContact CE1-CB 4.1Å; F942-F955 HydrophobicContact CE1-CD2 4.33Å; F942-F955 HydrophobicContact CZ-CB 4Å; T951-F955 WeakPolarHBondContact O-CD2 3.49Å; H952-F955 PolarHBondContact O-N 3.46Å; F955-L1151 HydrophobicContact CD1-CD1 3.86Å; F955-L1151 HydrophobicContact CE1-CD1 3.74Å; F955-L1169 HydrophobicContact CE1-CD2 4.13Å; F955-L1169 HydrophobicContact CE1-CG 4.26Å; F955-L1169 HydrophobicContact CZ-CG 4.29Å; F955-C1170 VanDerWaalsContact CE1-SG 3.56Å; F955-C1170 HydrophobicContact CZ-CB 4.43Å; F955-C1170 VanDerWaalsContact CZ-SG 3.52Å; F955-L1173 HydrophobicContact CE2-CD1 4.43Å; F955-L1173 HydrophobicContact CZ-CD1 4.01Å; F955-F1221 HydrophobicContact CZ-CE1 4.31Å |
| 956 | L | 78.3 | Confident | 79.7 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 9% | 0.089 | 10% | 0.103 | C | C | . | . | trans | -62.5 | 139.9 | 172.7 | -52.6 | 179.7 | 0 | 0 | 0 | 110.4 | M860 Q953 Y962 N984 R988 A989 | M860-L956 HydrophobicContact CE-CD2 4.34Å; Q953-L956 HydrophobicContact CB-CD1 4.24Å; Q953-L956 WeakPolarHBondContact O-CG 3.45Å; L956-Y962 VanDerWaalsContact CA-OH 3.32Å; L956-Y962 WeakPolarHBondContact CA-OH 3.48Å; L956-Y962 WeakPolarHBondContact CB-OH 3.17Å; L956-Y962 HydrophobicContact CD2-CE1 3.48Å; L956-Y962 VanDerWaalsContact CD2-CE1 3.48Å; L956-N984 WeakPolarHBondContact CD1-O 3.48Å; L956-R988 HydrophobicContact CB-CB 4.18Å; L956-R988 HydrophobicContact CD1-CB 3.84Å; L956-R988 HydrophobicContact CD1-CG 4.18Å; L956-A989 HydrophobicContact CB-CB 4.28Å | ||
| 957 | S | 77.6 | Confident | 80.6 | Confident | 9 Ų | 9 | 19.2 Ų | 19.2 | 6% | 0.063 | 9% | 0.087 | C | C | . | . | trans | -148.9 | 152.6 | 173.4 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | K858 R959 S960 Y962 E1146 | K858-S957 WeakPolarHBondContact CD-OG 3.2Å; K858-S957 PolarHBondContact NZ-OG 2.94Å; S957-R959 VanDerWaalsContact C-N 3.33Å; S957-R959 PolarHBondContact O-N 3.08Å; S957-S960 WeakPolarHBondContact O-CB 3.3Å; S957-S960 PolarHBondContact O-N 3.15Å; S957-S960 PolarHBondContact O-OG 2.86Å; S957-S960 PolarHBondContact OG-OG 3.23Å; S957-S960 VanDerWaalsContact OG-OG 3.07Å; S957-Y962 PolarHBondContact N-OH 2.98Å; S957-Y962 VanDerWaalsContact N-OH 3.14Å; S957-Y962 PolarHBondContact O-OH 2.64Å; S957-E1146 PolarHBondContact OG-O 2.77Å | ||
| 958 | K | 74.6 | Confident | 81.5 | Confident | 124 Ų | 124 | 15.8 Ų | 15.8 | 54% | 0.539 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -35.7 | -171.3 | -64.6 | 168 | -175.1 | 169.7 | 0 | 112.8 | S960 S992 | K958-S960 PolarHBondContact O-N 3.3Å; K958-S992 WeakPolarHBondContact CA-OG 3.47Å; K958-S992 PolarHBondContact O-OG 2.83Å |
| 959 | R | 81.2 | Confident | 82.3 | Confident | 16 Ų | 16 | 17.8 Ų | 17.8 | 6% | 0.06 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 41.2 | 176.3 | -155.6 | 178.9 | 179.7 | 117.6 | 5.9 | 114 | S957 L1078 E1146 | S957-R959 VanDerWaalsContact C-N 3.33Å; S957-R959 PolarHBondContact O-N 3.08Å; R959-L1078 PolarHBondContact NH2-O 3.25Å; R959-E1146 HydrophobicContact CB-CB 4.02Å |
| 960 | S | 87.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.9 | -177.1 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | K858 S957 K958 P993 | K858-S960 WeakPolarHBondContact CB-OG 3.42Å; K858-S960 VanDerWaalsContact CD-OG 3.26Å; K858-S960 WeakPolarHBondContact CD-OG 3.33Å; S957-S960 WeakPolarHBondContact O-CB 3.3Å; S957-S960 PolarHBondContact O-N 3.15Å; S957-S960 PolarHBondContact O-OG 2.86Å; S957-S960 PolarHBondContact OG-OG 3.23Å; S957-S960 VanDerWaalsContact OG-OG 3.07Å; K958-S960 PolarHBondContact O-N 3.3Å; S960-P993 WeakPolarHBondContact O-CD 3.34Å |
| 961 | I | 91.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.2 | 163.8 | -59.5 | 172.3 | 0 | 0 | 0 | 109.5 | L857 K858 L859 M860 F937 P993 I995 I1062 A1066 L1069 | L857-I961 HydrophobicContact CD2-CD1 4.01Å; L857-I961 HydrophobicContact CD2-CG1 3.79Å; K858-I961 PolarHBondContact O-N 2.85Å; L859-I961 HydrophobicContact CD1-CB 3.86Å; L859-I961 HydrophobicContact CD1-CG2 3.82Å; M860-I961 PolarHBondContact N-O 2.83Å; F937-I961 HydrophobicContact CE1-CD1 4.02Å; I961-P993 HydrophobicContact CB-CG 4.41Å; I961-P993 HydrophobicContact CG1-CG 3.91Å; I961-I995 HydrophobicContact CG2-CD1 4.21Å; I961-I1062 HydrophobicContact CD1-CG2 4.46Å; I961-A1066 HydrophobicContact CD1-CB 3.64Å; I961-L1069 HydrophobicContact CG1-CD2 4.48Å |
| 962 | Y | 92.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.2 | -179.3 | -69.5 | -84.5 | 0 | 0 | 0 | 112.2 | M860 L956 S957 I985 A989 P993 V994 I995 | M860-Y962 HydrophobicContact CB-CD1 3.45Å; M860-Y962 VanDerWaalsContact CB-CD1 3.45Å; M860-Y962 HydrophobicContact CB-CE1 3.43Å; M860-Y962 VanDerWaalsContact CB-CE1 3.43Å; M860-Y962 HydrophobicContact CB-CG 4.28Å; M860-Y962 HydrophobicContact CE-CE1 4.41Å; M860-Y962 HydrophobicContact CG-CD1 4.05Å; M860-Y962 HydrophobicContact CG-CE1 3.58Å; L956-Y962 VanDerWaalsContact CA-OH 3.32Å; L956-Y962 WeakPolarHBondContact CA-OH 3.48Å; L956-Y962 WeakPolarHBondContact CB-OH 3.17Å; L956-Y962 HydrophobicContact CD2-CE1 3.48Å; L956-Y962 VanDerWaalsContact CD2-CE1 3.48Å; S957-Y962 PolarHBondContact N-OH 2.98Å; S957-Y962 VanDerWaalsContact N-OH 3.14Å; S957-Y962 PolarHBondContact O-OH 2.64Å; Y962-I985 HydrophobicContact CD1-CD1 3.78Å; Y962-I985 HydrophobicContact CD1-CG1 3.91Å; Y962-I985 HydrophobicContact CD1-CG2 4.46Å; Y962-I985 HydrophobicContact CD2-CG2 3.93Å; Y962-I985 HydrophobicContact CE1-CG1 4.2Å; Y962-I985 HydrophobicContact CE2-CG2 4.06Å; Y962-I985 HydrophobicContact CG-CD1 3.89Å; Y962-I985 HydrophobicContact CG-CG1 4.26Å; Y962-I985 HydrophobicContact CG-CG2 4.15Å; Y962-A989 HydrophobicContact CE2-CB 4.03Å; Y962-P993 PolarHBondContact N-O 3.21Å; Y962-V994 CarbonylContact O-C 3.25Å; Y962-V994 WeakPolarHBondContact O-CA 3.07Å; Y962-I995 PolarHBondContact O-N 3.43Å |
| 963 | L | 94.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.5 | 166.8 | -71.4 | 165.2 | 0 | 0 | 0 | 108.1 | L859 M860 I861 V862 L876 I995 V997 L1058 I1062 | L859-L963 HydrophobicContact CD1-CD1 3.77Å; L859-L963 HydrophobicContact CD1-CG 4.04Å; L859-L963 HydrophobicContact CD2-CD1 4Å; L859-L963 HydrophobicContact CG-CD1 4Å; M860-L963 PolarHBondContact O-N 2.76Å; I861-L963 HydrophobicContact CD1-CD1 3.95Å; I861-L963 HydrophobicContact CG1-CB 4.25Å; I861-L963 HydrophobicContact CG1-CD1 4Å; V862-L963 PolarHBondContact N-O 3.04Å; L876-L963 HydrophobicContact CD1-CD1 4.28Å; L963-I995 HydrophobicContact CD2-CB 4.06Å; L963-I995 HydrophobicContact CD2-CD1 4.46Å; L963-I995 HydrophobicContact CD2-CG2 4.19Å; L963-V997 HydrophobicContact CD2-CG2 3.75Å; L963-L1058 HydrophobicContact CD2-CD1 3.95Å; L963-I1062 HydrophobicContact CD1-CD1 3.94Å; L963-I1062 HydrophobicContact CD2-CD1 4.04Å; L963-I1062 HydrophobicContact CD2-CG1 4.15Å |
| 964 | V | 93.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 104.2 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 107.7 | V862 F978 L982 I985 V994 I995 I996 V997 | V862-V964 HydrophobicContact CG2-CB 4.41Å; V862-V964 HydrophobicContact CG2-CG2 3.71Å; V964-F978 HydrophobicContact CG1-CB 3.68Å; V964-F978 HydrophobicContact CG1-CD2 4.18Å; V964-F978 HydrophobicContact CG1-CG 4.11Å; V964-L982 HydrophobicContact CG2-CD2 4.14Å; V964-I985 HydrophobicContact CG2-CD1 3.69Å; V964-V994 HydrophobicContact CB-CG1 4.06Å; V964-V994 HydrophobicContact CG2-CG1 3.46Å; V964-V994 VanDerWaalsContact CG2-CG1 3.46Å; V964-I995 PolarHBondContact N-O 3.44Å; V964-I996 WeakPolarHBondContact O-CA 3.35Å; V964-V997 PolarHBondContact O-N 2.72Å |
| 965 | V | 93.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.1 | -173.4 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | I861 V862 I867 K869 L872 V997 T999 | I861-V965 HydrophobicContact CG2-CG2 3.82Å; V862-V965 PolarHBondContact O-N 3.14Å; I867-V965 VanDerWaalsContact CD1-C 3.5Å; I867-V965 HydrophobicContact CD1-CB 3.79Å; I867-V965 HydrophobicContact CD1-CG1 3.84Å; I867-V965 WeakPolarHBondContact CD1-O 3.14Å; I867-V965 HydrophobicContact CG1-CB 4.48Å; I867-V965 HydrophobicContact CG1-CG1 4.08Å; K869-V965 HydrophobicContact CD-CB 4.15Å; K869-V965 HydrophobicContact CD-CG2 4.27Å; K869-V965 HydrophobicContact CG-CB 4.04Å; K869-V965 HydrophobicContact CG-CG1 4.23Å; K869-V965 HydrophobicContact CG-CG2 4.25Å; L872-V965 HydrophobicContact CD2-CG1 4.29Å; L872-V965 HydrophobicContact CD2-CG2 3.98Å; V965-V997 WeakPolarHBondContact CA-O 3.36Å; V965-T999 HydrophobicContact CG1-CG2 3.45Å; V965-T999 VanDerWaalsContact CG1-CG2 3.45Å |
| 966 | W | 92.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 177.7 | 170.2 | 72.1 | -71.5 | 0 | 0 | 0 | 111.1 | L968 I975 F978 V997 T999 M1019 I1023 | W966-L968 HydrophobicContact CH2-CD2 3.95Å; W966-L968 HydrophobicContact CZ2-CD2 3.71Å; W966-I975 HydrophobicContact CH2-CG1 4.28Å; W966-I975 HydrophobicContact CZ3-CG1 4.31Å; W966-F978 HydrophobicContact CB-CD1 3.93Å; W966-F978 AromaticContact CD1-CD1 3.88Å; W966-F978 AromaticContact CD1-CE1 3.96Å; W966-F978 HydrophobicContact CD2-CD1 4.12Å; W966-F978 HydrophobicContact CD2-CE1 4.09Å; W966-F978 AromaticContact CG-CD1 3.73Å; W966-F978 HydrophobicContact CG-CD1 3.73Å; W966-F978 HydrophobicContact CG-CE1 4.06Å; W966-F978 AromaticContact NE1-CE1 3.96Å; W966-V997 PolarHBondContact N-O 2.69Å; W966-T999 WeakPolarHBondContact O-CB 3.33Å; W966-T999 PolarHBondContact O-N 2.95Å; W966-T999 PolarHBondContact O-OG1 3.38Å; W966-M1019 HydrophobicContact CH2-CB 4.34Å; W966-M1019 HydrophobicContact CH2-CG 4.44Å; W966-M1019 HydrophobicContact CH2-SD 4.37Å; W966-I1023 HydrophobicContact CZ2-CD1 3.67Å |
| 967 | R | 89.4 | Confident | 85.4 | Confident | 57 Ų | 57 | 29.2 Ų | 29.2 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.8 | 178.9 | -166.4 | -170.5 | -53.1 | 107.7 | 0.2 | 110.5 | G866 I867 T969 D970 H1000 | G866-R967 PolarHBondContact O-NH2 2.74Å; I867-R967 HydrophobicContact CG2-CB 4.36Å; R967-T969 WeakPolarHBondContact CD-OG1 3.47Å; R967-T969 WeakPolarHBondContact CG-OG1 3.05Å; R967-T969 PolarHBondContact O-N 3.17Å; R967-T969 VanDerWaalsContact O-N 3.15Å; R967-D970 WeakPolarHBondContact CD-OD1 3.41Å; R967-D970 IonicContact CZ-OD1 3.28Å; R967-D970 IonicContact CZ-OD2 2.7Å; R967-D970 IonicContact NH1-OD1 3.99Å; R967-D970 PolarHBondContact NH1-OD1 2.88Å; R967-D970 IonicContact NH1-OD2 2.65Å; R967-D970 PolarHBondContact NH1-OD2 3.45Å; R967-D970 WeakPolarHBondContact O-CB 3.45Å; R967-D970 PolarHBondContact O-N 3.4Å; R967-H1000 HydrophobicContact CG-CB 3.99Å |
| 968 | L | 88.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -62.2 | -25.2 | -173.7 | -74.1 | 158.8 | 0 | 0 | 0 | 114 | W966 D970 G998 T999 L1001 V1004 Y1015 A1046 | W966-L968 HydrophobicContact CH2-CD2 3.95Å; W966-L968 HydrophobicContact CZ2-CD2 3.71Å; L968-D970 PolarHBondContact O-N 2.87Å; L968-G998 WeakPolarHBondContact CD1-O 3.46Å; L968-T999 WeakPolarHBondContact CB-O 3.25Å; L968-T999 PolarHBondContact N-O 3.05Å; L968-L1001 HydrophobicContact CD1-CB 3.95Å; L968-L1001 HydrophobicContact CD1-CD1 4.31Å; L968-V1004 HydrophobicContact CB-CG2 3.86Å; L968-Y1015 WeakPolarHBondContact O-CE1 3.39Å; L968-Y1015 PolarHBondContact O-OH 3.09Å; L968-A1046 HydrophobicContact CD1-CB 3.73Å; L968-A1046 HydrophobicContact CD2-CB 4.46Å |
| 969 | T | 87.4 | Confident | 86.2 | Confident | 45 Ų | 45 | 24.1 Ų | 24.1 | 28% | 0.276 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -71.1 | -14.9 | 177.5 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | R967 A1003 V1004 F1011 | R967-T969 WeakPolarHBondContact CD-OG1 3.47Å; R967-T969 WeakPolarHBondContact CG-OG1 3.05Å; R967-T969 PolarHBondContact O-N 3.17Å; R967-T969 VanDerWaalsContact O-N 3.15Å; T969-A1003 HydrophobicContact CG2-CB 4.16Å; T969-V1004 HydrophobicContact CG2-CG2 3.97Å; T969-F1011 HydrophobicContact CG2-CE2 4.23Å; T969-F1011 HydrophobicContact CG2-CZ 3.81Å |
| 970 | D | 84.9 | Confident | 86 | Confident | 41 Ų | 41 | 27.7 Ų | 27.7 | 22% | 0.219 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -91.3 | -6 | -172.6 | -54.8 | 6.1 | 0 | 0 | 0 | 112 | R967 L968 S973 G974 | R967-D970 WeakPolarHBondContact CD-OD1 3.41Å; R967-D970 IonicContact CZ-OD1 3.28Å; R967-D970 IonicContact CZ-OD2 2.7Å; R967-D970 IonicContact NH1-OD1 3.99Å; R967-D970 PolarHBondContact NH1-OD1 2.88Å; R967-D970 IonicContact NH1-OD2 2.65Å; R967-D970 PolarHBondContact NH1-OD2 3.45Å; R967-D970 WeakPolarHBondContact O-CB 3.45Å; R967-D970 PolarHBondContact O-N 3.4Å; L968-D970 PolarHBondContact O-N 2.87Å; D970-S973 PolarHBondContact O-N 2.72Å; D970-S973 PolarHBondContact O-OG 2.75Å; D970-G974 PolarHBondContact O-N 3.23Å |
| 971 | G | 85 | Confident | 85.7 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | 54.7 | -142.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S973 G974 I975 Y1015 | G971-S973 PolarHBondContact O-N 2.87Å; G971-S973 VanDerWaalsContact O-N 3.13Å; G971-G974 PolarHBondContact O-N 2.84Å; G971-I975 PolarHBondContact O-N 3.08Å; G971-Y1015 VanDerWaalsContact CA-OH 3.28Å; G971-Y1015 WeakPolarHBondContact CA-OH 3.45Å; G971-Y1015 PolarHBondContact N-OH 2.9Å |
| 972 | D | 78.1 | Confident | 85.4 | Confident | 92 Ų | 92 | 27.9 Ų | 27.9 | 49% | 0.492 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57 | -26 | 179.3 | -66.1 | -75 | 0 | 0 | 0 | 113.9 | I975 A976 | D972-I975 WeakPolarHBondContact O-CB 3.39Å; D972-I975 PolarHBondContact O-N 3.47Å; D972-A976 PolarHBondContact O-N 3.16Å; D972-A976 VanDerWaalsContact O-N 3.08Å |
| 973 | S | 77.3 | Confident | 84.7 | Confident | 77 Ų | 77 | 29.2 Ų | 29.2 | 54% | 0.538 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 175.4 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | D970 G971 I975 A976 E977 | D970-S973 PolarHBondContact O-N 2.72Å; D970-S973 PolarHBondContact O-OG 2.75Å; G971-S973 PolarHBondContact O-N 2.87Å; G971-S973 VanDerWaalsContact O-N 3.13Å; S973-I975 VanDerWaalsContact C-N 3.29Å; S973-I975 PolarHBondContact O-N 3.42Å; S973-A976 PolarHBondContact O-N 2.96Å; S973-E977 PolarHBondContact O-N 3.34Å; S973-E977 VanDerWaalsContact O-N 3.12Å |
| 974 | G | 82.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.1 | -29.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D970 G971 F978 | D970-G974 PolarHBondContact O-N 3.23Å; G971-G974 PolarHBondContact O-N 2.84Å; G974-F978 VanDerWaalsContact O-CD1 3.24Å; G974-F978 WeakPolarHBondContact O-CD1 3.42Å; G974-F978 PolarHBondContact O-N 2.93Å |
| 975 | I | 84.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 173.2 | -61.3 | 179 | 0 | 0 | 0 | 110.9 | W966 G971 D972 S973 F978 A979 M1019 V1022 I1023 F1027 | W966-I975 HydrophobicContact CH2-CG1 4.28Å; W966-I975 HydrophobicContact CZ3-CG1 4.31Å; G971-I975 PolarHBondContact O-N 3.08Å; D972-I975 WeakPolarHBondContact O-CB 3.39Å; D972-I975 PolarHBondContact O-N 3.47Å; S973-I975 VanDerWaalsContact C-N 3.29Å; S973-I975 PolarHBondContact O-N 3.42Å; I975-F978 HydrophobicContact CB-CE1 4.14Å; I975-F978 HydrophobicContact CB-CZ 4.44Å; I975-F978 HydrophobicContact CG1-CE1 3.95Å; I975-F978 HydrophobicContact CG1-CZ 4.41Å; I975-F978 HydrophobicContact CG2-CE1 4.23Å; I975-F978 HydrophobicContact CG2-CZ 4.03Å; I975-F978 PolarHBondContact O-N 3.39Å; I975-A979 PolarHBondContact O-N 2.85Å; I975-A979 VanDerWaalsContact O-N 3.11Å; I975-M1019 HydrophobicContact CD1-SD 3.97Å; I975-V1022 HydrophobicContact CD1-CG1 4.11Å; I975-I1023 HydrophobicContact CD1-CG1 4.23Å; I975-F1027 HydrophobicContact CG2-CE2 3.64Å; I975-F1027 HydrophobicContact CG2-CZ 4.06Å |
| 976 | A | 75 | Confident | 82.7 | Confident | 68 Ų | 68 | 30.4 Ų | 30.4 | 56% | 0.562 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -62.5 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D972 S973 F978 A979 | D972-A976 PolarHBondContact O-N 3.16Å; D972-A976 VanDerWaalsContact O-N 3.08Å; S973-A976 PolarHBondContact O-N 2.96Å; A976-F978 PolarHBondContact O-N 2.93Å; A976-A979 PolarHBondContact O-N 2.87Å |
| 977 | E | 81.6 | Confident | 81.4 | Confident | 60 Ų | 60 | 32.1 Ų | 32.1 | 28% | 0.28 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.5 | -32.3 | 179.6 | -70.5 | -156.6 | 115.5 | 0 | 0 | 113.7 | V864 R946 S973 | V864-E977 HydrophobicContact CG2-CB 3.89Å; V864-E977 HydrophobicContact CG2-CG 4.45Å; V864-E977 WeakPolarHBondContact CG2-OE2 3.42Å; R946-E977 IonicContact CZ-OE1 2.81Å; R946-E977 IonicContact NE-OE1 3.91Å; R946-E977 IonicContact NH2-OE1 2.77Å; R946-E977 PolarHBondContact NH2-OE1 3.47Å; S973-E977 PolarHBondContact O-N 3.34Å; S973-E977 VanDerWaalsContact O-N 3.12Å |
| 978 | F | 87.1 | Confident | 80.5 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -82.4 | -23.6 | 176.2 | 83.9 | -122.8 | 0 | 0 | 0 | 113.7 | V964 W966 G974 I975 A976 Q980 W981 L982 I996 I1023 F1027 | V964-F978 HydrophobicContact CG1-CB 3.68Å; V964-F978 HydrophobicContact CG1-CD2 4.18Å; V964-F978 HydrophobicContact CG1-CG 4.11Å; W966-F978 HydrophobicContact CB-CD1 3.93Å; W966-F978 AromaticContact CD1-CD1 3.88Å; W966-F978 AromaticContact CD1-CE1 3.96Å; W966-F978 HydrophobicContact CD2-CD1 4.12Å; W966-F978 HydrophobicContact CD2-CE1 4.09Å; W966-F978 AromaticContact CG-CD1 3.73Å; W966-F978 HydrophobicContact CG-CD1 3.73Å; W966-F978 HydrophobicContact CG-CE1 4.06Å; W966-F978 AromaticContact NE1-CE1 3.96Å; G974-F978 VanDerWaalsContact O-CD1 3.24Å; G974-F978 WeakPolarHBondContact O-CD1 3.42Å; G974-F978 PolarHBondContact O-N 2.93Å; I975-F978 HydrophobicContact CB-CE1 4.14Å; I975-F978 HydrophobicContact CB-CZ 4.44Å; I975-F978 HydrophobicContact CG1-CE1 3.95Å; I975-F978 HydrophobicContact CG1-CZ 4.41Å; I975-F978 HydrophobicContact CG2-CE1 4.23Å; I975-F978 HydrophobicContact CG2-CZ 4.03Å; I975-F978 PolarHBondContact O-N 3.39Å; A976-F978 PolarHBondContact O-N 2.93Å; F978-Q980 VanDerWaalsContact C-N 3.28Å; F978-Q980 PolarHBondContact O-N 3.1Å; F978-W981 WeakPolarHBondContact O-CA 3.37Å; F978-W981 WeakPolarHBondContact O-CB 3.4Å; F978-W981 PolarHBondContact O-N 3.47Å; F978-L982 HydrophobicContact CD2-CD1 4.06Å; F978-L982 HydrophobicContact CD2-CG 4.36Å; F978-L982 HydrophobicContact CE2-CD1 4.03Å; F978-L982 PolarHBondContact O-N 3.39Å; F978-L982 VanDerWaalsContact O-N 3.12Å; F978-I996 HydrophobicContact CD2-CD1 4.49Å; F978-I996 HydrophobicContact CE1-CG2 4.05Å; F978-I996 HydrophobicContact CE2-CD1 3.74Å; F978-I996 HydrophobicContact CE2-CG1 4.45Å; F978-I996 HydrophobicContact CE2-CG2 4.37Å; F978-I996 HydrophobicContact CZ-CD1 4.07Å; F978-I996 HydrophobicContact CZ-CG2 3.98Å; F978-I1023 HydrophobicContact CE1-CD1 4.1Å; F978-I1023 HydrophobicContact CZ-CD1 4.01Å; F978-I1023 HydrophobicContact CZ-CG1 4Å; F978-F1027 AromaticContact CE2-CD2 3.91Å; F978-F1027 HydrophobicContact CE2-CD2 3.91Å; F978-F1027 AromaticContact CE2-CE2 3.8Å; F978-F1027 HydrophobicContact CE2-CE2 3.8Å; F978-F1027 HydrophobicContact CE2-CG 4.39Å; F978-F1027 HydrophobicContact CE2-CZ 4.18Å; F978-F1027 HydrophobicContact CZ-CD2 4.13Å; F978-F1027 AromaticContact CZ-CE2 3.97Å; F978-F1027 HydrophobicContact CZ-CE2 3.97Å |
| 979 | A | 82.2 | Confident | 80 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I975 A976 W981 L982 I983 F1027 | I975-A979 PolarHBondContact O-N 2.85Å; I975-A979 VanDerWaalsContact O-N 3.11Å; A976-A979 PolarHBondContact O-N 2.87Å; A979-W981 VanDerWaalsContact C-N 3.28Å; A979-W981 PolarHBondContact O-N 3.41Å; A979-L982 WeakPolarHBondContact O-CB 3.3Å; A979-L982 PolarHBondContact O-N 2.76Å; A979-L982 VanDerWaalsContact O-N 3.15Å; A979-I983 PolarHBondContact O-N 2.84Å; A979-I983 VanDerWaalsContact O-N 3.15Å; A979-F1027 HydrophobicContact CB-CE1 4.03Å; A979-F1027 HydrophobicContact CB-CZ 4Å |
| 980 | Q | 76.1 | Confident | 79.3 | Confident | 91 Ų | 91 | 33.2 Ų | 33.2 | 43% | 0.425 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.8 | -33.7 | 173.9 | -170.9 | 60.4 | 54.7 | 0 | 0 | 112.8 | F978 I983 N984 | F978-Q980 VanDerWaalsContact C-N 3.28Å; F978-Q980 PolarHBondContact O-N 3.1Å; Q980-I983 PolarHBondContact O-N 3.04Å; Q980-N984 PolarHBondContact NE2-OD1 2.97Å; Q980-N984 VanDerWaalsContact O-CG 3.23Å; Q980-N984 PolarHBondContact O-N 3.15Å; Q980-N984 PolarHBondContact O-OD1 3.2Å |
| 981 | W | 82.2 | Confident | 78.8 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -35.6 | 174.7 | -85.6 | 104.9 | 0 | 0 | 0 | 112.4 | V862 Y949 H952 F978 A979 N984 I985 | V862-W981 HydrophobicContact CB-CD2 3.97Å; V862-W981 HydrophobicContact CB-CE3 3.66Å; V862-W981 HydrophobicContact CB-CH2 4.09Å; V862-W981 HydrophobicContact CB-CZ2 4.38Å; V862-W981 HydrophobicContact CB-CZ3 3.74Å; V862-W981 HydrophobicContact CG1-CE3 4.02Å; V862-W981 HydrophobicContact CG1-CH2 4.17Å; V862-W981 HydrophobicContact CG1-CZ3 3.69Å; V862-W981 HydrophobicContact CG2-CD2 4.18Å; V862-W981 HydrophobicContact CG2-CE3 3.93Å; V862-W981 HydrophobicContact CG2-CG 4.49Å; V862-W981 HydrophobicContact CG2-CZ3 4.45Å; Y949-W981 HydrophobicContact CD1-CH2 4.3Å; Y949-W981 AromaticContact CD1-CZ2 3.71Å; Y949-W981 HydrophobicContact CD1-CZ2 3.71Å; Y949-W981 HydrophobicContact CD2-CZ2 4.29Å; Y949-W981 AromaticContact CE1-CZ2 3.56Å; Y949-W981 HydrophobicContact CE1-CZ2 3.56Å; Y949-W981 HydrophobicContact CE2-CZ2 4.17Å; Y949-W981 AromaticContact CE2-NE1 3.74Å; Y949-W981 HydrophobicContact CG-CZ2 4.08Å; Y949-W981 AromaticContact CZ-CE2 3.98Å; Y949-W981 AromaticContact CZ-CZ2 3.8Å; Y949-W981 AromaticContact CZ-NE1 3.64Å; H952-W981 HydrophobicContact CB-CH2 4.01Å; H952-W981 HydrophobicContact CB-CZ3 4.39Å; H952-W981 AromaticContact ND1-CH2 3.73Å; F978-W981 WeakPolarHBondContact O-CA 3.37Å; F978-W981 WeakPolarHBondContact O-CB 3.4Å; F978-W981 PolarHBondContact O-N 3.47Å; A979-W981 VanDerWaalsContact C-N 3.28Å; A979-W981 PolarHBondContact O-N 3.41Å; W981-N984 PolarHBondContact O-N 2.87Å; W981-I985 WeakPolarHBondContact O-CD1 3.25Å; W981-I985 VanDerWaalsContact O-CG1 3.25Å; W981-I985 WeakPolarHBondContact O-CG1 3.46Å; W981-I985 PolarHBondContact O-N 3.41Å |
| 982 | L | 85.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 172.8 | -64.3 | 177.3 | 0 | 0 | 0 | 111 | V964 F978 A979 N984 I985 Q986 V994 F1027 L1038 P1039 V1041 | V964-L982 HydrophobicContact CG2-CD2 4.14Å; F978-L982 HydrophobicContact CD2-CD1 4.06Å; F978-L982 HydrophobicContact CD2-CG 4.36Å; F978-L982 HydrophobicContact CE2-CD1 4.03Å; F978-L982 PolarHBondContact O-N 3.39Å; F978-L982 VanDerWaalsContact O-N 3.12Å; A979-L982 WeakPolarHBondContact O-CB 3.3Å; A979-L982 PolarHBondContact O-N 2.76Å; A979-L982 VanDerWaalsContact O-N 3.15Å; L982-N984 PolarHBondContact O-N 3.15Å; L982-I985 PolarHBondContact O-N 3.06Å; L982-I985 VanDerWaalsContact O-N 3.16Å; L982-Q986 PolarHBondContact O-N 3.28Å; L982-V994 HydrophobicContact CD2-CB 4.45Å; L982-V994 HydrophobicContact CD2-CG1 3.76Å; L982-F1027 HydrophobicContact CD1-CB 4.32Å; L982-F1027 HydrophobicContact CD1-CD1 3.41Å; L982-F1027 VanDerWaalsContact CD1-CD1 3.41Å; L982-F1027 HydrophobicContact CD1-CE1 3.87Å; L982-F1027 HydrophobicContact CD1-CG 3.92Å; L982-L1038 HydrophobicContact CB-CD2 3.84Å; L982-L1038 HydrophobicContact CD1-CD2 4.21Å; L982-P1039 HydrophobicContact CB-CG 4.09Å; L982-P1039 HydrophobicContact CD2-CG 3.84Å; L982-P1039 WeakPolarHBondContact O-CD 3.48Å; L982-V1041 HydrophobicContact CD1-CG2 4.49Å; L982-V1041 HydrophobicContact CD2-CG2 4.11Å |
| 983 | I | 77.8 | Confident | 79.3 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 177.3 | -66.3 | 165 | 0 | 0 | 0 | 111.4 | A979 Q980 I985 Q986 A987 G1037 L1038 Y1329 | A979-I983 PolarHBondContact O-N 2.84Å; A979-I983 VanDerWaalsContact O-N 3.15Å; Q980-I983 PolarHBondContact O-N 3.04Å; I983-I985 VanDerWaalsContact C-N 3.29Å; I983-I985 PolarHBondContact O-N 3.33Å; I983-Q986 PolarHBondContact O-N 2.94Å; I983-A987 WeakPolarHBondContact O-CB 3.22Å; I983-A987 PolarHBondContact O-N 2.93Å; I983-G1037 WeakPolarHBondContact CA-O 3.37Å; I983-L1038 HydrophobicContact CG1-CD2 4.49Å; I983-Y1329 HydrophobicContact CG2-CD2 3.37Å; I983-Y1329 HydrophobicContact CG2-CE2 4Å; I983-Y1329 HydrophobicContact CG2-CG 3.83Å |
| 984 | N | 77 | Confident | 80 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.053 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 178.1 | -67.1 | -6.1 | 0 | 0 | 0 | 112.7 | L956 Q980 W981 L982 | L956-N984 WeakPolarHBondContact CD1-O 3.48Å; Q980-N984 PolarHBondContact NE2-OD1 2.97Å; Q980-N984 VanDerWaalsContact O-CG 3.23Å; Q980-N984 PolarHBondContact O-N 3.15Å; Q980-N984 PolarHBondContact O-OD1 3.2Å; W981-N984 PolarHBondContact O-N 2.87Å; L982-N984 PolarHBondContact O-N 3.15Å |
| 985 | I | 80.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -52.6 | 174.1 | -69.6 | 162.1 | 0 | 0 | 0 | 110.4 | V862 Y962 V964 W981 L982 I983 A987 R988 A989 V994 P1039 | V862-I985 HydrophobicContact CG2-CD1 4.26Å; Y962-I985 HydrophobicContact CD1-CD1 3.78Å; Y962-I985 HydrophobicContact CD1-CG1 3.91Å; Y962-I985 HydrophobicContact CD1-CG2 4.46Å; Y962-I985 HydrophobicContact CD2-CG2 3.93Å; Y962-I985 HydrophobicContact CE1-CG1 4.2Å; Y962-I985 HydrophobicContact CE2-CG2 4.06Å; Y962-I985 HydrophobicContact CG-CD1 3.89Å; Y962-I985 HydrophobicContact CG-CG1 4.26Å; Y962-I985 HydrophobicContact CG-CG2 4.15Å; V964-I985 HydrophobicContact CG2-CD1 3.69Å; W981-I985 WeakPolarHBondContact O-CD1 3.25Å; W981-I985 VanDerWaalsContact O-CG1 3.25Å; W981-I985 WeakPolarHBondContact O-CG1 3.46Å; W981-I985 PolarHBondContact O-N 3.41Å; L982-I985 PolarHBondContact O-N 3.06Å; L982-I985 VanDerWaalsContact O-N 3.16Å; I983-I985 VanDerWaalsContact C-N 3.29Å; I983-I985 PolarHBondContact O-N 3.33Å; I985-A987 VanDerWaalsContact C-N 3.29Å; I985-A987 PolarHBondContact O-N 3.12Å; I985-R988 PolarHBondContact O-N 2.82Å; I985-A989 CarbonylContact O-C 3.55Å; I985-A989 WeakPolarHBondContact O-CA 3.34Å; I985-A989 PolarHBondContact O-N 3.3Å; I985-V994 HydrophobicContact CD1-CG2 4.44Å; I985-V994 HydrophobicContact CG2-CG2 4.24Å; I985-P1039 HydrophobicContact CB-CG 4.39Å; I985-P1039 HydrophobicContact CG2-CB 3.96Å; I985-P1039 HydrophobicContact CG2-CG 4.23Å |
| 986 | Q | 80.2 | Confident | 81 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -36.9 | -177.7 | 178.2 | 61.3 | 8.6 | 0 | 0 | 112.4 | L982 I983 R988 P990 D1034 G1037 P1039 | L982-Q986 PolarHBondContact O-N 3.28Å; I983-Q986 PolarHBondContact O-N 2.94Å; Q986-R988 VanDerWaalsContact C-N 3.26Å; Q986-R988 PolarHBondContact O-N 3.25Å; Q986-P990 WeakPolarHBondContact O-CB 3.49Å; Q986-P990 VanDerWaalsContact OE1-CA 3.27Å; Q986-D1034 VanDerWaalsContact NE2-CA 3.34Å; Q986-D1034 PolarHBondContact NE2-O 3.43Å; Q986-G1037 WeakPolarHBondContact CB-O 3.46Å; Q986-P1039 HydrophobicContact CB-CB 4.11Å |
| 987 | A | 66.3 | Low | 82 | Confident | 44 Ų | 44 | 24.6 Ų | 24.6 | 36% | 0.364 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.8 | -20.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I983 I985 | I983-A987 WeakPolarHBondContact O-CB 3.22Å; I983-A987 PolarHBondContact O-N 2.93Å; I985-A987 VanDerWaalsContact C-N 3.29Å; I985-A987 PolarHBondContact O-N 3.12Å |
| 988 | R | 71.5 | Confident | 82.5 | Confident | 84 Ų | 84 | 21.7 Ų | 21.7 | 32% | 0.317 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -124.1 | -33.7 | -177 | -58.1 | -69.2 | -168.1 | 173.5 | 0.2 | 113.5 | Q953 Y954 L956 I985 Q986 P990 E1222 | Q953-R988 HydrophobicContact CB-CG 4.18Å; Q953-R988 VanDerWaalsContact OE1-CZ 3.23Å; Y954-R988 PolarHBondContact OH-NH2 2.67Å; L956-R988 HydrophobicContact CB-CB 4.18Å; L956-R988 HydrophobicContact CD1-CB 3.84Å; L956-R988 HydrophobicContact CD1-CG 4.18Å; I985-R988 PolarHBondContact O-N 2.82Å; Q986-R988 VanDerWaalsContact C-N 3.26Å; Q986-R988 PolarHBondContact O-N 3.25Å; R988-P990 WeakPolarHBondContact O-CD 3.41Å; R988-E1222 IonicContact NH2-OE1 3.05Å; R988-E1222 PolarHBondContact NH2-OE1 3.03Å; R988-E1222 VanDerWaalsContact NH2-OE1 3.17Å; R988-E1222 IonicContact NH2-OE2 3.7Å |
| 989 | A | 76.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -124 | 62.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L956 Y962 I985 S992 | L956-A989 HydrophobicContact CB-CB 4.28Å; Y962-A989 HydrophobicContact CE2-CB 4.03Å; I985-A989 CarbonylContact O-C 3.55Å; I985-A989 WeakPolarHBondContact O-CA 3.34Å; I985-A989 PolarHBondContact O-N 3.3Å; A989-S992 WeakPolarHBondContact O-CB 3.35Å; A989-S992 PolarHBondContact O-N 3.19Å; A989-S992 PolarHBondContact O-OG 3.45Å |
| 990 | P | 73.2 | Confident | 83.1 | Confident | 42 Ų | 42 | 23.5 Ų | 23.5 | 27% | 0.273 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 144 | -175.8 | 25.2 | -34.8 | 0 | 0 | 0 | 112.3 | Q986 R988 S992 | Q986-P990 WeakPolarHBondContact O-CB 3.49Å; Q986-P990 VanDerWaalsContact OE1-CA 3.27Å; R988-P990 WeakPolarHBondContact O-CD 3.41Å; P990-S992 PolarHBondContact O-N 3.13Å |
| 991 | N | 73.9 | Confident | 83.7 | Confident | 108 Ų | 108 | 19.5 Ų | 19.5 | 58% | 0.578 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | -0.1 | -174.3 | -50 | -71.5 | 0 | 0 | 0 | 116.2 | ||
| 992 | S | 84.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | trans | -63.7 | 142.5 | 174.7 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | K958 A989 P990 | K958-S992 WeakPolarHBondContact CA-OG 3.47Å; K958-S992 PolarHBondContact O-OG 2.83Å; A989-S992 WeakPolarHBondContact O-CB 3.35Å; A989-S992 PolarHBondContact O-N 3.19Å; A989-S992 PolarHBondContact O-OG 3.45Å; P990-S992 PolarHBondContact O-N 3.13Å | ||
| 993 | P | 89 | Confident | 84 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.7 | -177.2 | 30.5 | -38.6 | 0 | 0 | 0 | 111.9 | S960 I961 Y962 R1040 I1042 L1069 | S960-P993 WeakPolarHBondContact O-CD 3.34Å; I961-P993 HydrophobicContact CB-CG 4.41Å; I961-P993 HydrophobicContact CG1-CG 3.91Å; Y962-P993 PolarHBondContact N-O 3.21Å; P993-R1040 WeakPolarHBondContact CA-O 3.2Å; P993-I1042 HydrophobicContact CB-CD1 3.48Å; P993-I1042 VanDerWaalsContact CB-CD1 3.48Å; P993-I1042 HydrophobicContact CB-CG1 4.18Å; P993-L1069 HydrophobicContact CB-CD1 4.43Å; P993-L1069 HydrophobicContact CG-CD1 3.68Å; P993-L1069 HydrophobicContact CG-CD2 4.2Å |
| 994 | V | 92.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138 | 177.7 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | Y962 V964 L982 I985 P1039 R1040 V1041 I1042 | Y962-V994 CarbonylContact O-C 3.25Å; Y962-V994 WeakPolarHBondContact O-CA 3.07Å; V964-V994 HydrophobicContact CB-CG1 4.06Å; V964-V994 HydrophobicContact CG2-CG1 3.46Å; V964-V994 VanDerWaalsContact CG2-CG1 3.46Å; L982-V994 HydrophobicContact CD2-CB 4.45Å; L982-V994 HydrophobicContact CD2-CG1 3.76Å; I985-V994 HydrophobicContact CD1-CG2 4.44Å; I985-V994 HydrophobicContact CG2-CG2 4.24Å; V994-P1039 HydrophobicContact CG2-CB 3.77Å; V994-P1039 HydrophobicContact CG2-CG 3.54Å; V994-R1040 PolarHBondContact N-O 3.41Å; V994-V1041 HydrophobicContact CB-CG2 4.26Å; V994-V1041 CarbonylContact O-C 3.32Å; V994-V1041 WeakPolarHBondContact O-CA 3.35Å; V994-I1042 PolarHBondContact O-N 3.27Å |
| 995 | I | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.1 | 172.3 | -60.4 | 160.8 | 0 | 0 | 0 | 107.3 | I961 Y962 L963 V964 V997 L1058 V1061 I1062 A1065 | I961-I995 HydrophobicContact CG2-CD1 4.21Å; Y962-I995 PolarHBondContact O-N 3.43Å; L963-I995 HydrophobicContact CD2-CB 4.06Å; L963-I995 HydrophobicContact CD2-CD1 4.46Å; L963-I995 HydrophobicContact CD2-CG2 4.19Å; V964-I995 PolarHBondContact N-O 3.44Å; I995-V997 HydrophobicContact CG2-CG2 4.07Å; I995-L1058 HydrophobicContact CG2-CD1 4.13Å; I995-V1061 HydrophobicContact CD1-CG1 4.04Å; I995-V1061 HydrophobicContact CG1-CG1 4.4Å; I995-I1062 HydrophobicContact CD1-CG1 3.93Å; I995-A1065 HydrophobicContact CD1-CB 4.24Å |
| 996 | I | 94.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122 | -179.2 | -62.9 | 170 | 0 | 0 | 0 | 109 | V964 F978 I1023 F1027 V1041 E1043 S1044 L1045 | V964-I996 WeakPolarHBondContact O-CA 3.35Å; F978-I996 HydrophobicContact CD2-CD1 4.49Å; F978-I996 HydrophobicContact CE1-CG2 4.05Å; F978-I996 HydrophobicContact CE2-CD1 3.74Å; F978-I996 HydrophobicContact CE2-CG1 4.45Å; F978-I996 HydrophobicContact CE2-CG2 4.37Å; F978-I996 HydrophobicContact CZ-CD1 4.07Å; F978-I996 HydrophobicContact CZ-CG2 3.98Å; I996-I1023 HydrophobicContact CD1-CG2 3.76Å; I996-I1023 HydrophobicContact CG2-CD1 4.42Å; I996-F1027 HydrophobicContact CD1-CB 4.33Å; I996-V1041 HydrophobicContact CD1-CG1 3.72Å; I996-V1041 HydrophobicContact CD1-CG2 4.35Å; I996-V1041 HydrophobicContact CG1-CG1 4.01Å; I996-E1043 PolarHBondContact N-O 3.26Å; I996-S1044 CarbonylContact O-C 3.4Å; I996-S1044 VanDerWaalsContact O-CA 3.29Å; I996-S1044 WeakPolarHBondContact O-CA 3.48Å; I996-S1044 PolarHBondContact O-OG 3Å; I996-L1045 PolarHBondContact O-N 3.45Å |
| 997 | V | 94.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 105.4 | -173.5 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | L872 L963 V964 V965 W966 I995 T999 L1045 V1047 L1058 | L872-V997 HydrophobicContact CD2-CG1 3.95Å; L963-V997 HydrophobicContact CD2-CG2 3.75Å; V964-V997 PolarHBondContact O-N 2.72Å; V965-V997 WeakPolarHBondContact CA-O 3.36Å; W966-V997 PolarHBondContact N-O 2.69Å; I995-V997 HydrophobicContact CG2-CG2 4.07Å; V997-T999 HydrophobicContact CG1-CG2 4.49Å; V997-L1045 WeakPolarHBondContact CA-O 3.42Å; V997-V1047 HydrophobicContact CG1-CG1 4.27Å; V997-V1047 HydrophobicContact CG1-CG2 3.49Å; V997-V1047 VanDerWaalsContact CG1-CG2 3.49Å; V997-L1058 HydrophobicContact CG1-CD2 4.15Å; V997-L1058 HydrophobicContact CG2-CD1 3.78Å; V997-L1058 HydrophobicContact CG2-CD2 4.23Å |
| 998 | G | 92.7 | Very high | 85 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L968 L1045 A1046 V1047 | L968-G998 WeakPolarHBondContact CD1-O 3.46Å; G998-L1045 PolarHBondContact N-O 3.12Å; G998-A1046 CarbonylContact O-C 3.51Å; G998-A1046 WeakPolarHBondContact O-CA 3.34Å; G998-V1047 PolarHBondContact O-N 3.41Å |
| 999 | T | 91.6 | Very high | 85 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 171.7 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | I867 V965 W966 L968 V997 L1001 V1047 | I867-T999 PolarHBondContact O-OG1 3.13Å; V965-T999 HydrophobicContact CG1-CG2 3.45Å; V965-T999 VanDerWaalsContact CG1-CG2 3.45Å; W966-T999 WeakPolarHBondContact O-CB 3.33Å; W966-T999 PolarHBondContact O-N 2.95Å; W966-T999 PolarHBondContact O-OG1 3.38Å; L968-T999 WeakPolarHBondContact CB-O 3.25Å; L968-T999 PolarHBondContact N-O 3.05Å; V997-T999 HydrophobicContact CG1-CG2 4.49Å; T999-L1001 VanDerWaalsContact C-N 3.34Å; T999-V1047 HydrophobicContact CG2-CG2 4.33Å |
| 1000 | H | 90.6 | Very high | 85 | Confident | 61 Ų | 61 | 50 Ų | 50 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | trans | 64.8 | 33.5 | 178.7 | -56.1 | 67.6 | 0 | 0 | 0 | 113.3 | I867 R967 D1002 A1003 V1004 V1047 | I867-H1000 PolarHBondContact O-CE1 3.12Å; R967-H1000 HydrophobicContact CG-CB 3.99Å; H1000-D1002 PolarHBondContact O-N 2.73Å; H1000-A1003 HydrophobicContact CB-CB 4.18Å; H1000-A1003 WeakPolarHBondContact O-CB 3.29Å; H1000-A1003 PolarHBondContact O-N 3.44Å; H1000-V1004 PolarHBondContact O-N 3.17Å; H1000-V1047 PolarHBondContact N-O 3.14Å | ||
| 1001 | L | 89 | Confident | 85.4 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -34.4 | 173.1 | 176.9 | 58.7 | 0 | 0 | 0 | 112.2 | L968 T999 A1003 V1004 N1005 V1016 A1046 V1047 E1053 | L968-L1001 HydrophobicContact CD1-CB 3.95Å; L968-L1001 HydrophobicContact CD1-CD1 4.31Å; T999-L1001 VanDerWaalsContact C-N 3.34Å; L1001-A1003 VanDerWaalsContact C-N 3.35Å; L1001-A1003 PolarHBondContact O-N 3.08Å; L1001-V1004 PolarHBondContact O-N 3.15Å; L1001-N1005 WeakPolarHBondContact O-CB 3.48Å; L1001-N1005 PolarHBondContact O-N 3.3Å; L1001-V1016 HydrophobicContact CD1-CG2 4.11Å; L1001-A1046 HydrophobicContact CD1-CB 4.26Å; L1001-A1046 HydrophobicContact CD2-CB 4.14Å; L1001-V1047 WeakPolarHBondContact CB-O 3.11Å; L1001-V1047 PolarHBondContact N-O 2.86Å; L1001-E1053 HydrophobicContact CD2-CG 3.92Å |
| 1002 | D | 86.9 | Confident | 85.7 | Confident | 31 Ų | 31 | 48 Ų | 48 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 173.4 | 51.7 | -69.7 | 0 | 0 | 0 | 113.3 | H1000 S1006 S1048 T1051 | H1000-D1002 PolarHBondContact O-N 2.73Å; D1002-S1006 VanDerWaalsContact O-CB 3.27Å; D1002-S1006 WeakPolarHBondContact O-CB 3.42Å; D1002-S1006 PolarHBondContact O-N 3.14Å; D1002-S1006 PolarHBondContact O-OG 2.91Å; D1002-S1048 WeakPolarHBondContact CB-OG 3.27Å; D1002-S1048 WeakPolarHBondContact OD1-CB 3.24Å; D1002-S1048 PolarHBondContact OD1-OG 2.83Å; D1002-T1051 HydrophobicContact CB-CG2 4.03Å |
| 1003 | A | 85.9 | Confident | 84.9 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.9 | -32.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T969 H1000 L1001 N1007 | T969-A1003 HydrophobicContact CG2-CB 4.16Å; H1000-A1003 HydrophobicContact CB-CB 4.18Å; H1000-A1003 WeakPolarHBondContact O-CB 3.29Å; H1000-A1003 PolarHBondContact O-N 3.44Å; L1001-A1003 VanDerWaalsContact C-N 3.35Å; L1001-A1003 PolarHBondContact O-N 3.08Å; A1003-N1007 WeakPolarHBondContact O-CB 3.32Å; A1003-N1007 PolarHBondContact O-N 3.29Å; A1003-N1007 PolarHBondContact O-ND2 3.49Å |
| 1004 | V | 84 | Confident | 84.6 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -51 | 173.1 | 178 | 0 | 0 | 0 | 0 | 110.4 | L968 T969 H1000 L1001 S1006 N1007 F1011 Y1015 V1016 | L968-V1004 HydrophobicContact CB-CG2 3.86Å; T969-V1004 HydrophobicContact CG2-CG2 3.97Å; H1000-V1004 PolarHBondContact O-N 3.17Å; L1001-V1004 PolarHBondContact O-N 3.15Å; V1004-S1006 PolarHBondContact O-N 3.33Å; V1004-N1007 PolarHBondContact O-N 2.92Å; V1004-F1011 HydrophobicContact CB-CD2 4.31Å; V1004-F1011 HydrophobicContact CG1-CB 3.97Å; V1004-F1011 HydrophobicContact CG1-CD2 4.08Å; V1004-F1011 HydrophobicContact CG1-CG 3.96Å; V1004-F1011 HydrophobicContact CG2-CD2 4.39Å; V1004-F1011 HydrophobicContact CG2-CE2 4.38Å; V1004-Y1015 HydrophobicContact CG1-CD1 3.86Å; V1004-Y1015 HydrophobicContact CG1-CE1 4.32Å; V1004-Y1015 HydrophobicContact CG2-CE1 4.44Å; V1004-V1016 HydrophobicContact CG1-CG2 3.94Å |
| 1005 | N | 83 | Confident | 84.3 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59 | -32.5 | -180 | -79.5 | -13 | 0 | 0 | 0 | 112.8 | L1001 E1053 | L1001-N1005 WeakPolarHBondContact O-CB 3.48Å; L1001-N1005 PolarHBondContact O-N 3.3Å; N1005-E1053 PolarHBondContact ND2-OE2 3.03Å |
| 1006 | S | 81.6 | Confident | 83.9 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -78 | -27.6 | 176.7 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | D1002 V1004 | D1002-S1006 VanDerWaalsContact O-CB 3.27Å; D1002-S1006 WeakPolarHBondContact O-CB 3.42Å; D1002-S1006 PolarHBondContact O-N 3.14Å; D1002-S1006 PolarHBondContact O-OG 2.91Å; V1004-S1006 PolarHBondContact O-N 3.33Å |
| 1007 | N | 82.4 | Confident | 83.5 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | trans | -108 | 49.1 | -172.3 | -70.9 | -64.2 | 0 | 0 | 0 | 113.2 | A1003 V1004 K1009 I1010 F1011 | A1003-N1007 WeakPolarHBondContact O-CB 3.32Å; A1003-N1007 PolarHBondContact O-N 3.29Å; A1003-N1007 PolarHBondContact O-ND2 3.49Å; V1004-N1007 PolarHBondContact O-N 2.92Å; N1007-K1009 PolarHBondContact O-N 2.85Å; N1007-I1010 HydrophobicContact CB-CD1 4.39Å; N1007-I1010 PolarHBondContact O-N 3.22Å; N1007-F1011 HydrophobicContact CB-CD2 4.01Å; N1007-F1011 HydrophobicContact CB-CE2 4.05Å; N1007-F1011 PolarHBondContact O-N 3.23Å; N1007-F1011 VanDerWaalsContact O-N 3.14Å | ||
| 1008 | R | 72.3 | Confident | 83.2 | Confident | 205 Ų | 205 | 71.4 Ų | 71.4 | 77% | 0.774 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -7.1 | 177.6 | -63.6 | -173.5 | 179.1 | -159.4 | -3.4 | 115.7 | ||
| 1009 | K | 72.3 | Confident | 83 | Confident | 215 Ų | 215 | 71.9 Ų | 71.9 | 94% | 0.935 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18.9 | 170.3 | -69 | -169.8 | 176.4 | -173.1 | 0 | 113.5 | N1007 | N1007-K1009 PolarHBondContact O-N 2.85Š|
| 1010 | I | 77.3 | Confident | 82.8 | Confident | 110 Ų | 110 | 73.1 Ų | 73.1 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -40.8 | -176.7 | -62.3 | 171.6 | 0 | 0 | 0 | 110.2 | N1007 | N1007-I1010 HydrophobicContact CB-CD1 4.39Å; N1007-I1010 PolarHBondContact O-N 3.22Å |
| 1011 | F | 81.4 | Confident | 82.6 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -102.2 | 125.1 | 178.8 | -54.7 | -75.2 | 0 | 0 | 0 | 110.2 | T969 V1004 N1007 Y1015 | T969-F1011 HydrophobicContact CG2-CE2 4.23Å; T969-F1011 HydrophobicContact CG2-CZ 3.81Å; V1004-F1011 HydrophobicContact CB-CD2 4.31Å; V1004-F1011 HydrophobicContact CG1-CB 3.97Å; V1004-F1011 HydrophobicContact CG1-CD2 4.08Å; V1004-F1011 HydrophobicContact CG1-CG 3.96Å; V1004-F1011 HydrophobicContact CG2-CD2 4.39Å; V1004-F1011 HydrophobicContact CG2-CE2 4.38Å; N1007-F1011 HydrophobicContact CB-CD2 4.01Å; N1007-F1011 HydrophobicContact CB-CE2 4.05Å; N1007-F1011 PolarHBondContact O-N 3.23Å; N1007-F1011 VanDerWaalsContact O-N 3.14Å; F1011-Y1015 HydrophobicContact CB-CD1 4.13Å; F1011-Y1015 HydrophobicContact CB-CG 4.16Å; F1011-Y1015 AromaticContact CD1-CD1 3.96Å; F1011-Y1015 HydrophobicContact CD1-CD1 3.96Å; F1011-Y1015 HydrophobicContact CD1-CD2 4.4Å; F1011-Y1015 AromaticContact CD1-CE1 3.72Å; F1011-Y1015 HydrophobicContact CD1-CE1 3.72Å; F1011-Y1015 HydrophobicContact CD1-CE2 4.19Å; F1011-Y1015 HydrophobicContact CD1-CG 4.29Å; F1011-Y1015 AromaticContact CD1-CZ 3.85Å; F1011-Y1015 HydrophobicContact CE1-CE1 4.24Å; F1011-Y1015 HydrophobicContact CG-CD1 4.31Å; F1011-Y1015 HydrophobicContact CG-CE1 4.43Å |
| 1012 | P | 79.5 | Confident | 82.4 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 156.7 | -178.6 | 25.7 | -33.2 | 0 | 0 | 0 | 112.1 | L1014 Y1015 | P1012-L1014 PolarHBondContact O-N 3Å; P1012-Y1015 WeakPolarHBondContact O-CB 3.39Å; P1012-Y1015 PolarHBondContact O-N 3.48Å |
| 1013 | P | 68.1 | Low | 82.4 | Confident | 119 Ų | 119 | 75.8 Ų | 75.8 | 77% | 0.773 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 143 | 164.9 | 27.1 | -34.3 | 0 | 0 | 0 | 109.5 | Y1015 | P1013-Y1015 VanDerWaalsContact C-N 3.27Å; P1013-Y1015 PolarHBondContact O-N 3.25Å |
| 1014 | L | 81.3 | Confident | 82.5 | Confident | 108 Ų | 108 | 80 Ų | 80 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 7.6 | -172.2 | -39.3 | 177.9 | 0 | 0 | 0 | 115.8 | P1012 V1016 E1017 T1018 | P1012-L1014 PolarHBondContact O-N 3Å; L1014-V1016 PolarHBondContact O-N 3.13Å; L1014-E1017 HydrophobicContact CB-CB 4.49Å; L1014-E1017 WeakPolarHBondContact CD2-OE1 3.42Å; L1014-E1017 PolarHBondContact O-N 3.33Å; L1014-T1018 WeakPolarHBondContact O-CB 3.13Å; L1014-T1018 PolarHBondContact O-N 3.14Å; L1014-T1018 PolarHBondContact O-OG1 3.34Å |
| 1015 | Y | 87.8 | Confident | 82.4 | Confident | 33 Ų | 33 | 85.2 Ų | 85.2 | 13% | 0.129 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -54.1 | -48.7 | 176.2 | 171.8 | -103.4 | 0 | 0 | 0 | 113.2 | L968 G971 V1004 F1011 P1012 P1013 E1017 T1018 M1019 | L968-Y1015 WeakPolarHBondContact O-CE1 3.39Å; L968-Y1015 PolarHBondContact O-OH 3.09Å; G971-Y1015 VanDerWaalsContact CA-OH 3.28Å; G971-Y1015 WeakPolarHBondContact CA-OH 3.45Å; G971-Y1015 PolarHBondContact N-OH 2.9Å; V1004-Y1015 HydrophobicContact CG1-CD1 3.86Å; V1004-Y1015 HydrophobicContact CG1-CE1 4.32Å; V1004-Y1015 HydrophobicContact CG2-CE1 4.44Å; F1011-Y1015 HydrophobicContact CB-CD1 4.13Å; F1011-Y1015 HydrophobicContact CB-CG 4.16Å; F1011-Y1015 AromaticContact CD1-CD1 3.96Å; F1011-Y1015 HydrophobicContact CD1-CD1 3.96Å; F1011-Y1015 HydrophobicContact CD1-CD2 4.4Å; F1011-Y1015 AromaticContact CD1-CE1 3.72Å; F1011-Y1015 HydrophobicContact CD1-CE1 3.72Å; F1011-Y1015 HydrophobicContact CD1-CE2 4.19Å; F1011-Y1015 HydrophobicContact CD1-CG 4.29Å; F1011-Y1015 AromaticContact CD1-CZ 3.85Å; F1011-Y1015 HydrophobicContact CE1-CE1 4.24Å; F1011-Y1015 HydrophobicContact CG-CD1 4.31Å; F1011-Y1015 HydrophobicContact CG-CE1 4.43Å; P1012-Y1015 WeakPolarHBondContact O-CB 3.39Å; P1012-Y1015 PolarHBondContact O-N 3.48Å; P1013-Y1015 VanDerWaalsContact C-N 3.27Å; P1013-Y1015 PolarHBondContact O-N 3.25Å; Y1015-E1017 VanDerWaalsContact C-N 3.32Å; Y1015-E1017 PolarHBondContact O-N 2.88Å; Y1015-T1018 WeakPolarHBondContact O-CB 3.45Å; Y1015-T1018 PolarHBondContact O-N 2.86Å; Y1015-M1019 HydrophobicContact CD2-CG 4.44Å; Y1015-M1019 HydrophobicContact CE1-CG 4.25Å; Y1015-M1019 HydrophobicContact CE2-CG 4.03Å; Y1015-M1019 HydrophobicContact CE2-SD 4.33Å; Y1015-M1019 WeakPolarHBondContact O-CG 3.29Å; Y1015-M1019 PolarHBondContact O-N 3.14Å |
| 1016 | V | 85.5 | Confident | 82.4 | Confident | 31 Ų | 31 | 89.1 Ų | 89.1 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | L1001 V1004 L1014 M1019 Q1020 A1046 | L1001-V1016 HydrophobicContact CD1-CG2 4.11Å; V1004-V1016 HydrophobicContact CG1-CG2 3.94Å; L1014-V1016 PolarHBondContact O-N 3.13Å; V1016-M1019 PolarHBondContact O-N 2.92Å; V1016-Q1020 WeakPolarHBondContact O-CB 3.5Å; V1016-Q1020 VanDerWaalsContact O-CG 3.29Å; V1016-Q1020 WeakPolarHBondContact O-CG 3.3Å; V1016-Q1020 PolarHBondContact O-N 2.85Å; V1016-A1046 HydrophobicContact CG1-CB 3.88Å |
| 1017 | E | 86.7 | Confident | 82.6 | Confident | 127 Ų | 127 | 85.6 Ų | 85.6 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.1 | -37.2 | 176.7 | -66.6 | 169.6 | -135.4 | 0 | 0 | 111.8 | L1014 Y1015 Q1020 K1021 | L1014-E1017 HydrophobicContact CB-CB 4.49Å; L1014-E1017 WeakPolarHBondContact CD2-OE1 3.42Å; L1014-E1017 PolarHBondContact O-N 3.33Å; Y1015-E1017 VanDerWaalsContact C-N 3.32Å; Y1015-E1017 PolarHBondContact O-N 2.88Å; E1017-Q1020 PolarHBondContact O-N 3.21Å; E1017-K1021 WeakPolarHBondContact O-CB 3.23Å; E1017-K1021 PolarHBondContact O-N 2.82Å |
| 1018 | T | 86.5 | Confident | 82.7 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 47% | 0.466 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | L1014 Y1015 Q1020 K1021 V1022 | L1014-T1018 WeakPolarHBondContact O-CB 3.13Å; L1014-T1018 PolarHBondContact O-N 3.14Å; L1014-T1018 PolarHBondContact O-OG1 3.34Å; Y1015-T1018 WeakPolarHBondContact O-CB 3.45Å; Y1015-T1018 PolarHBondContact O-N 2.86Å; T1018-Q1020 PolarHBondContact O-N 3.32Å; T1018-K1021 WeakPolarHBondContact O-CB 3.47Å; T1018-K1021 PolarHBondContact O-N 2.98Å; T1018-V1022 WeakPolarHBondContact O-CG2 3.48Å; T1018-V1022 PolarHBondContact O-N 2.89Å |
| 1019 | M | 88.4 | Confident | 83 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 5% | 0.049 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 174.3 | -66.4 | -71 | 99.4 | 0 | 0 | 111.7 | W966 I975 Y1015 V1016 K1021 V1022 I1023 | W966-M1019 HydrophobicContact CH2-CB 4.34Å; W966-M1019 HydrophobicContact CH2-CG 4.44Å; W966-M1019 HydrophobicContact CH2-SD 4.37Å; I975-M1019 HydrophobicContact CD1-SD 3.97Å; Y1015-M1019 HydrophobicContact CD2-CG 4.44Å; Y1015-M1019 HydrophobicContact CE1-CG 4.25Å; Y1015-M1019 HydrophobicContact CE2-CG 4.03Å; Y1015-M1019 HydrophobicContact CE2-SD 4.33Å; Y1015-M1019 WeakPolarHBondContact O-CG 3.29Å; Y1015-M1019 PolarHBondContact O-N 3.14Å; V1016-M1019 PolarHBondContact O-N 2.92Å; M1019-K1021 VanDerWaalsContact C-N 3.34Å; M1019-K1021 PolarHBondContact O-N 2.69Å; M1019-V1022 PolarHBondContact O-N 3.39Å; M1019-I1023 VanDerWaalsContact O-CG1 3.26Å; M1019-I1023 WeakPolarHBondContact O-CG1 3.34Å; M1019-I1023 PolarHBondContact O-N 2.95Å |
| 1020 | Q | 87.8 | Confident | 83.2 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62 | -38 | 175.7 | -78.3 | -65.7 | -26 | 0 | 0 | 113 | V1016 E1017 T1018 I1023 R1024 S1044 | V1016-Q1020 WeakPolarHBondContact O-CB 3.5Å; V1016-Q1020 VanDerWaalsContact O-CG 3.29Å; V1016-Q1020 WeakPolarHBondContact O-CG 3.3Å; V1016-Q1020 PolarHBondContact O-N 2.85Å; E1017-Q1020 PolarHBondContact O-N 3.21Å; T1018-Q1020 PolarHBondContact O-N 3.32Å; Q1020-I1023 PolarHBondContact O-N 2.89Å; Q1020-R1024 WeakPolarHBondContact O-CG 3.3Å; Q1020-R1024 PolarHBondContact O-N 3.29Å; Q1020-S1044 PolarHBondContact NE2-OG 3.48Å; Q1020-S1044 PolarHBondContact OE1-O 3.39Å; Q1020-S1044 PolarHBondContact OE1-OG 2.93Å |
| 1021 | K | 86.3 | Confident | 83 | Confident | 127 Ų | 127 | 70 Ų | 70 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.6 | -51.1 | 174.1 | -178.2 | -179.9 | 172.1 | -177.5 | 0 | 111.4 | E1017 T1018 M1019 I1023 R1024 E1025 | E1017-K1021 WeakPolarHBondContact O-CB 3.23Å; E1017-K1021 PolarHBondContact O-N 2.82Å; T1018-K1021 WeakPolarHBondContact O-CB 3.47Å; T1018-K1021 PolarHBondContact O-N 2.98Å; M1019-K1021 VanDerWaalsContact C-N 3.34Å; M1019-K1021 PolarHBondContact O-N 2.69Å; K1021-I1023 VanDerWaalsContact C-N 3.25Å; K1021-I1023 PolarHBondContact O-N 2.93Å; K1021-R1024 PolarHBondContact O-N 2.97Å; K1021-R1024 VanDerWaalsContact O-N 3.12Å; K1021-E1025 VanDerWaalsContact CE-CD 3.49Å; K1021-E1025 WeakPolarHBondContact CE-OE1 3.35Å; K1021-E1025 HydrophobicContact CG-CG 4.47Å; K1021-E1025 IonicContact NZ-OE1 3.58Å; K1021-E1025 WeakPolarHBondContact O-CG 3.42Å; K1021-E1025 PolarHBondContact O-N 2.61Å |
| 1022 | V | 85.8 | Confident | 82.5 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.7 | -40.4 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | I975 T1018 M1019 R1026 | I975-V1022 HydrophobicContact CD1-CG1 4.11Å; T1018-V1022 WeakPolarHBondContact O-CG2 3.48Å; T1018-V1022 PolarHBondContact O-N 2.89Å; M1019-V1022 PolarHBondContact O-N 3.39Å; V1022-R1026 HydrophobicContact CG1-CG 4.42Å; V1022-R1026 VanDerWaalsContact O-CB 3.31Å; V1022-R1026 WeakPolarHBondContact O-CB 3.46Å; V1022-R1026 WeakPolarHBondContact O-CG 3.24Å; V1022-R1026 PolarHBondContact O-N 3.24Å |
| 1023 | I | 87.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 178.5 | -66.8 | 173.5 | 0 | 0 | 0 | 111.7 | W966 I975 F978 I996 M1019 Q1020 K1021 R1026 F1027 | W966-I1023 HydrophobicContact CZ2-CD1 3.67Å; I975-I1023 HydrophobicContact CD1-CG1 4.23Å; F978-I1023 HydrophobicContact CE1-CD1 4.1Å; F978-I1023 HydrophobicContact CZ-CD1 4.01Å; F978-I1023 HydrophobicContact CZ-CG1 4Å; I996-I1023 HydrophobicContact CD1-CG2 3.76Å; I996-I1023 HydrophobicContact CG2-CD1 4.42Å; M1019-I1023 VanDerWaalsContact O-CG1 3.26Å; M1019-I1023 WeakPolarHBondContact O-CG1 3.34Å; M1019-I1023 PolarHBondContact O-N 2.95Å; Q1020-I1023 PolarHBondContact O-N 2.89Å; K1021-I1023 VanDerWaalsContact C-N 3.25Å; K1021-I1023 PolarHBondContact O-N 2.93Å; I1023-R1026 PolarHBondContact O-N 3.18Å; I1023-F1027 HydrophobicContact CG2-CD2 4.26Å; I1023-F1027 WeakPolarHBondContact O-CB 3.45Å; I1023-F1027 PolarHBondContact O-N 3.23Å |
| 1024 | R | 87 | Confident | 82.3 | Confident | 115 Ų | 115 | 65.8 Ų | 65.8 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 177.3 | -79.6 | 172.8 | 171.7 | -176.7 | -3.8 | 112.5 | Q1020 K1021 I1028 N1029 E1043 | Q1020-R1024 WeakPolarHBondContact O-CG 3.3Å; Q1020-R1024 PolarHBondContact O-N 3.29Å; K1021-R1024 PolarHBondContact O-N 2.97Å; K1021-R1024 VanDerWaalsContact O-N 3.12Å; R1024-I1028 HydrophobicContact CG-CD1 3.9Å; R1024-I1028 PolarHBondContact O-N 2.72Å; R1024-N1029 PolarHBondContact O-N 3.34Å; R1024-N1029 VanDerWaalsContact O-N 3.16Å; R1024-E1043 IonicContact CZ-OE1 2.71Å; R1024-E1043 IonicContact NE-OE1 2.83Å; R1024-E1043 IonicContact NH2-OE1 2.78Å; R1024-E1043 PolarHBondContact NH2-OE1 2.91Å; R1024-E1043 IonicContact NH2-OE2 3.64Å |
| 1025 | E | 82.8 | Confident | 81.7 | Confident | 118 Ų | 118 | 63.5 Ų | 63.5 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.5 | -33.8 | 178.5 | -69.7 | 174.2 | 164.9 | 0 | 0 | 112.7 | K1021 | K1021-E1025 VanDerWaalsContact CE-CD 3.49Å; K1021-E1025 WeakPolarHBondContact CE-OE1 3.35Å; K1021-E1025 HydrophobicContact CG-CG 4.47Å; K1021-E1025 IonicContact NZ-OE1 3.58Å; K1021-E1025 WeakPolarHBondContact O-CG 3.42Å; K1021-E1025 PolarHBondContact O-N 2.61Å |
| 1026 | R | 82.7 | Confident | 81 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 54% | 0.543 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -94.6 | -22.2 | -177.6 | -70 | -172.9 | 178.5 | 179.7 | 3.2 | 116.4 | V1022 I1023 I1030 | V1022-R1026 HydrophobicContact CG1-CG 4.42Å; V1022-R1026 VanDerWaalsContact O-CB 3.31Å; V1022-R1026 WeakPolarHBondContact O-CB 3.46Å; V1022-R1026 WeakPolarHBondContact O-CG 3.24Å; V1022-R1026 PolarHBondContact O-N 3.24Å; I1023-R1026 PolarHBondContact O-N 3.18Å; R1026-I1030 WeakPolarHBondContact O-CD1 3.25Å |
| 1027 | F | 85.5 | Confident | 80.3 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -133.9 | -11.2 | -168.6 | -57.5 | -68.5 | 0 | 0 | 0 | 116.2 | I975 F978 A979 L982 I996 I1023 L1038 V1041 | I975-F1027 HydrophobicContact CG2-CE2 3.64Å; I975-F1027 HydrophobicContact CG2-CZ 4.06Å; F978-F1027 AromaticContact CE2-CD2 3.91Å; F978-F1027 HydrophobicContact CE2-CD2 3.91Å; F978-F1027 AromaticContact CE2-CE2 3.8Å; F978-F1027 HydrophobicContact CE2-CE2 3.8Å; F978-F1027 HydrophobicContact CE2-CG 4.39Å; F978-F1027 HydrophobicContact CE2-CZ 4.18Å; F978-F1027 HydrophobicContact CZ-CD2 4.13Å; F978-F1027 AromaticContact CZ-CE2 3.97Å; F978-F1027 HydrophobicContact CZ-CE2 3.97Å; A979-F1027 HydrophobicContact CB-CE1 4.03Å; A979-F1027 HydrophobicContact CB-CZ 4Å; L982-F1027 HydrophobicContact CD1-CB 4.32Å; L982-F1027 HydrophobicContact CD1-CD1 3.41Å; L982-F1027 VanDerWaalsContact CD1-CD1 3.41Å; L982-F1027 HydrophobicContact CD1-CE1 3.87Å; L982-F1027 HydrophobicContact CD1-CG 3.92Å; I996-F1027 HydrophobicContact CD1-CB 4.33Å; I1023-F1027 HydrophobicContact CG2-CD2 4.26Å; I1023-F1027 WeakPolarHBondContact O-CB 3.45Å; I1023-F1027 PolarHBondContact O-N 3.23Å; F1027-L1038 HydrophobicContact CD1-CD1 4.32Å; F1027-L1038 HydrophobicContact CD1-CD2 4.23Å; F1027-L1038 HydrophobicContact CE1-CD2 4.45Å; F1027-V1041 HydrophobicContact CB-CG2 4.35Å; F1027-V1041 WeakPolarHBondContact O-CB 3.41Å; F1027-V1041 WeakPolarHBondContact O-CG2 3.25Å |
| 1028 | I | 83.8 | Confident | 79.9 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -48.2 | -175.8 | -62 | 174.7 | 0 | 0 | 0 | 111.5 | R1024 I1030 V1041 | R1024-I1028 HydrophobicContact CG-CD1 3.9Å; R1024-I1028 PolarHBondContact O-N 2.72Å; I1028-I1030 PolarHBondContact O-N 2.81Å; I1028-V1041 HydrophobicContact CD1-CG1 4.04Å; I1028-V1041 HydrophobicContact CG1-CB 3.94Å; I1028-V1041 HydrophobicContact CG1-CG1 3.63Å |
| 1029 | N | 79.5 | Confident | 79.7 | Confident | 132 Ų | 132 | 54.8 Ų | 54.8 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -99.7 | 62.3 | -174.1 | -68.1 | -11.7 | 0 | 0 | 0 | 113 | R1024 | R1024-N1029 PolarHBondContact O-N 3.34Å; R1024-N1029 VanDerWaalsContact O-N 3.16Å |
| 1030 | I | 75.8 | Confident | 79.5 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 23% | 0.226 | 29% | 0.288 | C | S | . | . | trans | -120.2 | 139.7 | -175.4 | -25.1 | 173.1 | 0 | 0 | 0 | 113.7 | R1026 I1028 L1038 | R1026-I1030 WeakPolarHBondContact O-CD1 3.25Å; I1028-I1030 PolarHBondContact O-N 2.81Å; I1030-L1038 HydrophobicContact CD1-CD1 3.4Å | ||
| 1031 | S | 73.8 | Confident | 79.5 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 139.6 | 163.5 | 35.3 | 0 | 0 | 0 | 0 | 112.7 | A1033 R1036 E1498 | S1031-A1033 VanDerWaalsContact C-N 3.27Å; S1031-A1033 PolarHBondContact O-N 3.1Å; S1031-R1036 VanDerWaalsContact O-CD 3.28Å; S1031-R1036 WeakPolarHBondContact O-CD 3.44Å; S1031-R1036 PolarHBondContact O-NE 3.33Å; S1031-R1036 VanDerWaalsContact O-NE 3.08Å; S1031-E1498 WeakPolarHBondContact CB-OE1 3.45Å; S1031-E1498 PolarHBondContact OG-OE1 2.96Å |
| 1032 | D | 71.1 | Confident | 79.5 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.15 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | 44.7 | -178 | -56.3 | -88.6 | 0 | 0 | 0 | 114.2 | D1034 K1035 R1036 S1497 | D1032-D1034 PolarHBondContact O-N 3.06Å; D1032-D1034 VanDerWaalsContact O-N 3.1Å; D1032-K1035 HydrophobicContact CB-CB 4Å; D1032-K1035 HydrophobicContact CB-CD 3.96Å; D1032-K1035 HydrophobicContact CB-CG 4.13Å; D1032-K1035 PolarHBondContact O-N 3.06Å; D1032-K1035 WeakPolarHBondContact OD1-CD 3.06Å; D1032-K1035 WeakPolarHBondContact OD1-CE 3.2Å; D1032-K1035 IonicContact OD1-NZ 3.73Å; D1032-K1035 PolarHBondContact OD1-NZ 2.9Å; D1032-R1036 WeakPolarHBondContact O-CG 3.25Å; D1032-R1036 PolarHBondContact O-N 3.13Å; D1032-S1497 VanDerWaalsContact CG-N 3.34Å; D1032-S1497 PolarHBondContact OD1-N 2.94Å; D1032-S1497 WeakPolarHBondContact OD2-CA 3.28Å; D1032-S1497 WeakPolarHBondContact OD2-CB 3.37Å; D1032-S1497 PolarHBondContact OD2-N 3.27Å; D1032-S1497 PolarHBondContact OD2-OG 3.42Å |
| 1033 | A | 74.1 | Confident | 79.7 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -38.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1031 R1036 G1037 L1038 | S1031-A1033 VanDerWaalsContact C-N 3.27Å; S1031-A1033 PolarHBondContact O-N 3.1Å; A1033-R1036 CarbonylContact O-C 3.26Å; A1033-R1036 PolarHBondContact O-N 3.48Å; A1033-G1037 PolarHBondContact O-N 2.97Å; A1033-L1038 CarbonylContact C-O 3.55Å; A1033-L1038 VanDerWaalsContact C-O 3.32Å; A1033-L1038 HydrophobicContact CB-CB 4.44Å; A1033-L1038 WeakPolarHBondContact O-CA 3.43Å; A1033-L1038 PolarHBondContact O-N 2.84Å |
| 1034 | D | 68.6 | Low | 79.9 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -43 | 178.1 | 65.3 | -36.1 | 0 | 0 | 0 | 113.5 | Q986 D1032 G1037 | Q986-D1034 VanDerWaalsContact NE2-CA 3.34Å; Q986-D1034 PolarHBondContact NE2-O 3.43Å; D1032-D1034 PolarHBondContact O-N 3.06Å; D1032-D1034 VanDerWaalsContact O-N 3.1Å; D1034-G1037 PolarHBondContact O-N 3.29Å |
| 1035 | K | 69.9 | Low | 80.1 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 27% | 0.265 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -28 | 174.1 | -55.4 | -178.9 | -172 | 163.6 | 0 | 112.7 | D1032 G1037 H1495 T1496 L1502 | D1032-K1035 HydrophobicContact CB-CB 4Å; D1032-K1035 HydrophobicContact CB-CD 3.96Å; D1032-K1035 HydrophobicContact CB-CG 4.13Å; D1032-K1035 PolarHBondContact O-N 3.06Å; D1032-K1035 WeakPolarHBondContact OD1-CD 3.06Å; D1032-K1035 WeakPolarHBondContact OD1-CE 3.2Å; D1032-K1035 IonicContact OD1-NZ 3.73Å; D1032-K1035 PolarHBondContact OD1-NZ 2.9Å; K1035-G1037 PolarHBondContact O-N 2.86Å; K1035-H1495 PolarHBondContact NZ-O 3.34Å; K1035-H1495 VanDerWaalsContact NZ-O 3.08Å; K1035-T1496 HydrophobicContact CB-CG2 4.38Å; K1035-T1496 HydrophobicContact CD-CG2 4.44Å; K1035-L1502 HydrophobicContact CB-CD2 4Å |
| 1036 | R | 71.5 | Confident | 80.5 | Confident | 56 Ų | 56 | 49 Ų | 49 | 21% | 0.211 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 1.4 | 171 | -70.7 | 179.3 | 179 | -111.2 | 4.5 | 113.1 | S1031 D1032 A1033 L1038 E1498 | S1031-R1036 VanDerWaalsContact O-CD 3.28Å; S1031-R1036 WeakPolarHBondContact O-CD 3.44Å; S1031-R1036 PolarHBondContact O-NE 3.33Å; S1031-R1036 VanDerWaalsContact O-NE 3.08Å; D1032-R1036 WeakPolarHBondContact O-CG 3.25Å; D1032-R1036 PolarHBondContact O-N 3.13Å; A1033-R1036 CarbonylContact O-C 3.26Å; A1033-R1036 PolarHBondContact O-N 3.48Å; R1036-L1038 VanDerWaalsContact C-N 3.28Å; R1036-L1038 PolarHBondContact O-N 3.29Å; R1036-E1498 IonicContact CZ-OE1 2.87Å; R1036-E1498 IonicContact NE-OE1 2.72Å; R1036-E1498 VanDerWaalsContact NH2-CD 3.27Å; R1036-E1498 IonicContact NH2-OE1 2.85Å; R1036-E1498 PolarHBondContact NH2-OE1 3.4Å; R1036-E1498 IonicContact NH2-OE2 3.23Å; R1036-E1498 PolarHBondContact NH2-OE2 3.3Å |
| 1037 | G | 71.1 | Confident | 81 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 17.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I983 Q986 A1033 D1034 K1035 | I983-G1037 WeakPolarHBondContact CA-O 3.37Å; Q986-G1037 WeakPolarHBondContact CB-O 3.46Å; A1033-G1037 PolarHBondContact O-N 2.97Å; D1034-G1037 PolarHBondContact O-N 3.29Å; K1035-G1037 PolarHBondContact O-N 2.86Å |
| 1038 | L | 79.2 | Confident | 81.3 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | trans | -109.8 | 140.6 | -178.1 | -67 | 172.5 | 0 | 0 | 0 | 112 | L982 I983 F1027 I1030 A1033 R1036 | L982-L1038 HydrophobicContact CB-CD2 3.84Å; L982-L1038 HydrophobicContact CD1-CD2 4.21Å; I983-L1038 HydrophobicContact CG1-CD2 4.49Å; F1027-L1038 HydrophobicContact CD1-CD1 4.32Å; F1027-L1038 HydrophobicContact CD1-CD2 4.23Å; F1027-L1038 HydrophobicContact CE1-CD2 4.45Å; I1030-L1038 HydrophobicContact CD1-CD1 3.4Å; A1033-L1038 CarbonylContact C-O 3.55Å; A1033-L1038 VanDerWaalsContact C-O 3.32Å; A1033-L1038 HydrophobicContact CB-CB 4.44Å; A1033-L1038 WeakPolarHBondContact O-CA 3.43Å; A1033-L1038 PolarHBondContact O-N 2.84Å; R1036-L1038 VanDerWaalsContact C-N 3.28Å; R1036-L1038 PolarHBondContact O-N 3.29Å | ||
| 1039 | P | 82.8 | Confident | 81.2 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | trans | -86.1 | 173.2 | -179.6 | 37.1 | -35.4 | 0 | 0 | 0 | 110.9 | L982 I985 Q986 V994 V1041 | L982-P1039 HydrophobicContact CB-CG 4.09Å; L982-P1039 HydrophobicContact CD2-CG 3.84Å; L982-P1039 WeakPolarHBondContact O-CD 3.48Å; I985-P1039 HydrophobicContact CB-CG 4.39Å; I985-P1039 HydrophobicContact CG2-CB 3.96Å; I985-P1039 HydrophobicContact CG2-CG 4.23Å; Q986-P1039 HydrophobicContact CB-CB 4.11Å; V994-P1039 HydrophobicContact CG2-CB 3.77Å; V994-P1039 HydrophobicContact CG2-CG 3.54Å; P1039-V1041 PolarHBondContact O-N 3.45Å | ||
| 1040 | R | 83.5 | Confident | 81.5 | Confident | 147 Ų | 147 | 39.3 Ų | 39.3 | 56% | 0.555 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 88.1 | -179.8 | -172.9 | -179 | 173.1 | -155.4 | -5.1 | 111.3 | P993 V994 | P993-R1040 WeakPolarHBondContact CA-O 3.2Å; V994-R1040 PolarHBondContact N-O 3.41Å |
| 1041 | V | 87.6 | Confident | 81.9 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 127.7 | 170.3 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | L982 V994 I996 F1027 I1028 P1039 | L982-V1041 HydrophobicContact CD1-CG2 4.49Å; L982-V1041 HydrophobicContact CD2-CG2 4.11Å; V994-V1041 HydrophobicContact CB-CG2 4.26Å; V994-V1041 CarbonylContact O-C 3.32Å; V994-V1041 WeakPolarHBondContact O-CA 3.35Å; I996-V1041 HydrophobicContact CD1-CG1 3.72Å; I996-V1041 HydrophobicContact CD1-CG2 4.35Å; I996-V1041 HydrophobicContact CG1-CG1 4.01Å; F1027-V1041 HydrophobicContact CB-CG2 4.35Å; F1027-V1041 WeakPolarHBondContact O-CB 3.41Å; F1027-V1041 WeakPolarHBondContact O-CG2 3.25Å; I1028-V1041 HydrophobicContact CD1-CG1 4.04Å; I1028-V1041 HydrophobicContact CG1-CB 3.94Å; I1028-V1041 HydrophobicContact CG1-CG1 3.63Å; P1039-V1041 PolarHBondContact O-N 3.45Å |
| 1042 | I | 86.8 | Confident | 82.5 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -46.4 | -178.6 | -66.1 | -175.2 | 0 | 0 | 0 | 111.6 | P993 V994 A1065 | P993-I1042 HydrophobicContact CB-CD1 3.48Å; P993-I1042 VanDerWaalsContact CB-CD1 3.48Å; P993-I1042 HydrophobicContact CB-CG1 4.18Å; V994-I1042 PolarHBondContact O-N 3.27Å; I1042-A1065 HydrophobicContact CD1-CB 3.9Å |
| 1043 | E | 88.8 | Confident | 83.2 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 160.7 | -172.9 | -170.4 | 59.3 | -86 | 0 | 0 | 110.4 | I996 R1024 L1045 V1061 | I996-E1043 PolarHBondContact N-O 3.26Å; R1024-E1043 IonicContact CZ-OE1 2.71Å; R1024-E1043 IonicContact NE-OE1 2.83Å; R1024-E1043 IonicContact NH2-OE1 2.78Å; R1024-E1043 PolarHBondContact NH2-OE1 2.91Å; R1024-E1043 IonicContact NH2-OE2 3.64Å; E1043-L1045 HydrophobicContact CG-CD2 4.41Å; E1043-L1045 HydrophobicContact CG-CG 4.39Å; E1043-V1061 HydrophobicContact CB-CG1 4.46Å |
| 1044 | S | 91.1 | Very high | 83.9 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.9 | 168.8 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | I996 Q1020 | I996-S1044 CarbonylContact O-C 3.4Å; I996-S1044 VanDerWaalsContact O-CA 3.29Å; I996-S1044 WeakPolarHBondContact O-CA 3.48Å; I996-S1044 PolarHBondContact O-OG 3Å; Q1020-S1044 PolarHBondContact NE2-OG 3.48Å; Q1020-S1044 PolarHBondContact OE1-O 3.39Å; Q1020-S1044 PolarHBondContact OE1-OG 2.93Å |
| 1045 | L | 92.4 | Very high | 84.9 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.8 | -174.8 | -67.7 | 174.9 | 0 | 0 | 0 | 111.5 | I996 V997 G998 E1043 L1058 V1061 | I996-L1045 PolarHBondContact O-N 3.45Å; V997-L1045 WeakPolarHBondContact CA-O 3.42Å; G998-L1045 PolarHBondContact N-O 3.12Å; E1043-L1045 HydrophobicContact CG-CD2 4.41Å; E1043-L1045 HydrophobicContact CG-CG 4.39Å; L1045-L1058 HydrophobicContact CD1-CB 4.19Å; L1045-L1058 HydrophobicContact CD1-CD1 3.91Å; L1045-V1061 HydrophobicContact CD1-CB 4.25Å; L1045-V1061 HydrophobicContact CD1-CG1 4.45Å; L1045-V1061 HydrophobicContact CD1-CG2 4.19Å |
| 1046 | A | 91.7 | Very high | 85.7 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | L968 G998 L1001 V1016 N1054 | L968-A1046 HydrophobicContact CD1-CB 3.73Å; L968-A1046 HydrophobicContact CD2-CB 4.46Å; G998-A1046 CarbonylContact O-C 3.51Å; G998-A1046 WeakPolarHBondContact O-CA 3.34Å; L1001-A1046 HydrophobicContact CD1-CB 4.26Å; L1001-A1046 HydrophobicContact CD2-CB 4.14Å; V1016-A1046 HydrophobicContact CG1-CB 3.88Å; A1046-N1054 VanDerWaalsContact O-CB 3.27Å; A1046-N1054 WeakPolarHBondContact O-CB 3.38Å; A1046-N1054 PolarHBondContact O-ND2 3.04Å |
| 1047 | V | 92.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -136.2 | 157 | -175.1 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | L872 V997 G998 T999 H1000 L1001 E1053 N1054 L1058 | L872-V1047 HydrophobicContact CD1-CG2 4.22Å; V997-V1047 HydrophobicContact CG1-CG1 4.27Å; V997-V1047 HydrophobicContact CG1-CG2 3.49Å; V997-V1047 VanDerWaalsContact CG1-CG2 3.49Å; G998-V1047 PolarHBondContact O-N 3.41Å; T999-V1047 HydrophobicContact CG2-CG2 4.33Å; H1000-V1047 PolarHBondContact N-O 3.14Å; L1001-V1047 WeakPolarHBondContact CB-O 3.11Å; L1001-V1047 PolarHBondContact N-O 2.86Å; V1047-E1053 WeakPolarHBondContact CA-O 3.49Å; V1047-N1054 HydrophobicContact CG1-CB 4.01Å; V1047-L1058 HydrophobicContact CG1-CB 4.42Å; V1047-L1058 HydrophobicContact CG1-CD2 4.31Å | ||
| 1048 | S | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -118.9 | 127.6 | 164.9 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | D1002 V1050 T1051 R1052 E1053 | D1002-S1048 WeakPolarHBondContact CB-OG 3.27Å; D1002-S1048 WeakPolarHBondContact OD1-CB 3.24Å; D1002-S1048 PolarHBondContact OD1-OG 2.83Å; S1048-V1050 PolarHBondContact O-N 2.84Å; S1048-V1050 PolarHBondContact OG-N 3.04Å; S1048-T1051 WeakPolarHBondContact CB-OG1 3.23Å; S1048-T1051 PolarHBondContact OG-N 2.96Å; S1048-T1051 PolarHBondContact OG-OG1 3.03Å; S1048-R1052 VanDerWaalsContact O-CA 3.22Å; S1048-R1052 WeakPolarHBondContact O-CA 3.17Å; S1048-R1052 PolarHBondContact O-N 3.21Å; S1048-E1053 PolarHBondContact N-O 2.7Å; S1048-E1053 VanDerWaalsContact N-O 3.12Å | ||
| 1049 | S | 83.1 | Confident | 88.1 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -7.1 | 169.1 | -54.2 | 0 | 0 | 0 | 0 | 113 | Q875 | Q875-S1049 PolarHBondContact NE2-O 3.47Š|
| 1050 | V | 84.8 | Confident | 88.4 | Confident | 114 Ų | 114 | 48 Ų | 48 | 69% | 0.691 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | -57 | -178.8 | -177 | 0 | 0 | 0 | 0 | 110.7 | S1048 R1052 | S1048-V1050 PolarHBondContact O-N 2.84Å; S1048-V1050 PolarHBondContact OG-N 3.04Å; V1050-R1052 VanDerWaalsContact C-N 3.29Å; V1050-R1052 PolarHBondContact O-N 3.14Å |
| 1051 | T | 84.5 | Confident | 88.8 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.5 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 113 | D1002 S1048 E1053 | D1002-T1051 HydrophobicContact CB-CG2 4.03Å; S1048-T1051 WeakPolarHBondContact CB-OG1 3.23Å; S1048-T1051 PolarHBondContact OG-N 2.96Å; S1048-T1051 PolarHBondContact OG-OG1 3.03Å; T1051-E1053 PolarHBondContact O-N 3.19Å; T1051-E1053 VanDerWaalsContact OG1-CB 3.28Å; T1051-E1053 WeakPolarHBondContact OG1-CB 3.32Å; T1051-E1053 PolarHBondContact OG1-N 2.78Å |
| 1052 | R | 85.9 | Confident | 89 | Confident | 120 Ų | 120 | 41.7 Ų | 41.7 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | trans | 61.8 | 13 | -171.2 | -61.8 | 179.5 | 162.8 | -172.9 | -6.9 | 114.7 | Q875 S1048 V1050 N1054 M1055 | Q875-R1052 VanDerWaalsContact OE1-CZ 3.27Å; S1048-R1052 VanDerWaalsContact O-CA 3.22Å; S1048-R1052 WeakPolarHBondContact O-CA 3.17Å; S1048-R1052 PolarHBondContact O-N 3.21Å; V1050-R1052 VanDerWaalsContact C-N 3.29Å; V1050-R1052 PolarHBondContact O-N 3.14Å; R1052-N1054 PolarHBondContact O-N 3.15Å; R1052-M1055 HydrophobicContact CB-CB 4.4Å; R1052-M1055 VanDerWaalsContact O-CB 3.28Å; R1052-M1055 WeakPolarHBondContact O-CB 3.47Å; R1052-M1055 PolarHBondContact O-N 2.84Å; R1052-M1055 VanDerWaalsContact O-N 3.13Å | ||
| 1053 | E | 85.8 | Confident | 89.2 | Confident | 78 Ų | 78 | 40.3 Ų | 40.3 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 130.2 | 174.4 | -170 | 173.7 | 178.1 | 0 | 0 | 110.9 | L1001 N1005 V1047 S1048 T1051 M1055 | L1001-E1053 HydrophobicContact CD2-CG 3.92Å; N1005-E1053 PolarHBondContact ND2-OE2 3.03Å; V1047-E1053 WeakPolarHBondContact CA-O 3.49Å; S1048-E1053 PolarHBondContact N-O 2.7Å; S1048-E1053 VanDerWaalsContact N-O 3.12Å; T1051-E1053 PolarHBondContact O-N 3.19Å; T1051-E1053 VanDerWaalsContact OG1-CB 3.28Å; T1051-E1053 WeakPolarHBondContact OG1-CB 3.32Å; T1051-E1053 PolarHBondContact OG1-N 2.78Å; E1053-M1055 PolarHBondContact O-N 2.81Å |
| 1054 | N | 89.4 | Confident | 89.2 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 4.7 | -174.1 | -62.8 | -33.2 | 0 | 0 | 0 | 117.5 | A1046 V1047 R1052 R1056 T1057 L1058 | A1046-N1054 VanDerWaalsContact O-CB 3.27Å; A1046-N1054 WeakPolarHBondContact O-CB 3.38Å; A1046-N1054 PolarHBondContact O-ND2 3.04Å; V1047-N1054 HydrophobicContact CG1-CB 4.01Å; R1052-N1054 PolarHBondContact O-N 3.15Å; N1054-R1056 VanDerWaalsContact C-N 3.33Å; N1054-R1056 PolarHBondContact O-N 3.26Å; N1054-T1057 WeakPolarHBondContact O-CB 3.28Å; N1054-T1057 PolarHBondContact O-N 2.94Å; N1054-L1058 PolarHBondContact O-N 2.97Å |
| 1055 | M | 89 | Confident | 89.1 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 179.7 | -166 | 63.3 | 57.6 | 0 | 0 | 112.4 | L872 Q875 L876 R1052 E1053 L1058 C1059 | L872-M1055 HydrophobicContact CD1-CE 3.69Å; L872-M1055 HydrophobicContact CD1-SD 3.72Å; Q875-M1055 HydrophobicContact CB-CE 3.9Å; Q875-M1055 HydrophobicContact CB-CG 4.34Å; Q875-M1055 HydrophobicContact CB-SD 4.02Å; Q875-M1055 HydrophobicContact CG-CE 4.49Å; L876-M1055 HydrophobicContact CD2-SD 4.01Å; L876-M1055 HydrophobicContact CG-SD 4.29Å; R1052-M1055 HydrophobicContact CB-CB 4.4Å; R1052-M1055 VanDerWaalsContact O-CB 3.28Å; R1052-M1055 WeakPolarHBondContact O-CB 3.47Å; R1052-M1055 PolarHBondContact O-N 2.84Å; R1052-M1055 VanDerWaalsContact O-N 3.13Å; E1053-M1055 PolarHBondContact O-N 2.81Å; M1055-L1058 PolarHBondContact O-N 3.33Å; M1055-C1059 PolarHBondContact O-N 2.88Å; M1055-C1059 VanDerWaalsContact O-N 3.14Å; M1055-C1059 PolarHBondContact O-SG 3.34Å; M1055-C1059 VanDerWaalsContact O-SG 3.34Å |
| 1056 | R | 87.1 | Confident | 88.9 | Confident | 101 Ų | 101 | 41.5 Ų | 41.5 | 38% | 0.381 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.5 | -169.3 | 175.9 | -136 | 77.7 | 26.3 | 111.9 | E879 N1054 L1058 C1059 D1060 | E879-R1056 IonicContact OE1-NH1 3.88Å; E879-R1056 IonicContact OE2-CZ 3.33Å; E879-R1056 IonicContact OE2-NH1 2.75Å; E879-R1056 PolarHBondContact OE2-NH1 3.43Å; E879-R1056 IonicContact OE2-NH2 3.71Å; E879-R1056 PolarHBondContact OE2-NH2 2.93Å; N1054-R1056 VanDerWaalsContact C-N 3.33Å; N1054-R1056 PolarHBondContact O-N 3.26Å; R1056-L1058 VanDerWaalsContact C-N 3.29Å; R1056-L1058 PolarHBondContact O-N 2.78Å; R1056-C1059 WeakPolarHBondContact O-CB 3.37Å; R1056-C1059 PolarHBondContact O-N 3.25Å; R1056-C1059 VanDerWaalsContact O-N 3.15Å; R1056-D1060 PolarHBondContact O-N 3.07Å |
| 1057 | T | 89.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 43.6 Ų | 43.6 | 40% | 0.399 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 176.2 | -39.9 | 0 | 0 | 0 | 0 | 111.1 | N1054 D1060 V1061 | N1054-T1057 WeakPolarHBondContact O-CB 3.28Å; N1054-T1057 PolarHBondContact O-N 2.94Å; T1057-D1060 PolarHBondContact O-N 3.08Å; T1057-V1061 WeakPolarHBondContact O-CB 3.26Å; T1057-V1061 WeakPolarHBondContact O-CG2 3.49Å; T1057-V1061 PolarHBondContact O-N 3.4Å |
| 1058 | L | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 174.4 | 179.2 | 61.4 | 0 | 0 | 0 | 111.9 | L872 L876 L963 I995 V997 L1045 V1047 N1054 M1055 R1056 D1060 V1061 I1062 | L872-L1058 HydrophobicContact CD1-CD2 3.92Å; L876-L1058 HydrophobicContact CD2-CD2 4.17Å; L876-L1058 HydrophobicContact CD2-CG 4.37Å; L963-L1058 HydrophobicContact CD2-CD1 3.95Å; I995-L1058 HydrophobicContact CG2-CD1 4.13Å; V997-L1058 HydrophobicContact CG1-CD2 4.15Å; V997-L1058 HydrophobicContact CG2-CD1 3.78Å; V997-L1058 HydrophobicContact CG2-CD2 4.23Å; L1045-L1058 HydrophobicContact CD1-CB 4.19Å; L1045-L1058 HydrophobicContact CD1-CD1 3.91Å; V1047-L1058 HydrophobicContact CG1-CB 4.42Å; V1047-L1058 HydrophobicContact CG1-CD2 4.31Å; N1054-L1058 PolarHBondContact O-N 2.97Å; M1055-L1058 PolarHBondContact O-N 3.33Å; R1056-L1058 VanDerWaalsContact C-N 3.29Å; R1056-L1058 PolarHBondContact O-N 2.78Å; L1058-D1060 PolarHBondContact O-N 3.38Å; L1058-V1061 PolarHBondContact O-N 2.91Å; L1058-I1062 HydrophobicContact CD1-CD1 4.04Å; L1058-I1062 HydrophobicContact CD1-CG1 4.22Å; L1058-I1062 HydrophobicContact CG-CD1 3.89Å; L1058-I1062 WeakPolarHBondContact O-CD1 3.17Å; L1058-I1062 VanDerWaalsContact O-CG1 3.27Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.43Å; L1058-I1062 PolarHBondContact O-N 3.07Å |
| 1059 | C | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | L876 W920 Y922 M1055 R1056 I1062 Y1063 | L876-C1059 WeakPolarHBondContact CD2-SG 3.26Å; W920-C1059 HydrophobicContact CH2-CB 4.42Å; W920-C1059 HydrophobicContact CZ2-CB 4.43Å; Y922-C1059 HydrophobicContact CD1-CB 4.26Å; Y922-C1059 HydrophobicContact CD2-CB 4.32Å; Y922-C1059 HydrophobicContact CE1-CB 3.7Å; Y922-C1059 HydrophobicContact CE2-CB 3.77Å; Y922-C1059 VanDerWaalsContact CZ-CB 3.43Å; M1055-C1059 PolarHBondContact O-N 2.88Å; M1055-C1059 VanDerWaalsContact O-N 3.14Å; M1055-C1059 PolarHBondContact O-SG 3.34Å; M1055-C1059 VanDerWaalsContact O-SG 3.34Å; R1056-C1059 WeakPolarHBondContact O-CB 3.37Å; R1056-C1059 PolarHBondContact O-N 3.25Å; R1056-C1059 VanDerWaalsContact O-N 3.15Å; C1059-I1062 PolarHBondContact O-N 3.09Å; C1059-Y1063 WeakPolarHBondContact O-CB 3.19Å; C1059-Y1063 PolarHBondContact O-N 3.03Å |
| 1060 | D | 88.7 | Confident | 87.4 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 177.2 | -84.2 | -56.4 | 0 | 0 | 0 | 112.2 | P924 R932 R1056 T1057 L1058 K1064 | P924-D1060 WeakPolarHBondContact CB-OD1 3.26Å; R932-D1060 IonicContact NH1-OD1 3.94Å; R1056-D1060 PolarHBondContact O-N 3.07Å; T1057-D1060 PolarHBondContact O-N 3.08Å; L1058-D1060 PolarHBondContact O-N 3.38Å; D1060-K1064 WeakPolarHBondContact O-CB 3.39Å; D1060-K1064 PolarHBondContact O-N 3.09Å |
| 1061 | V | 91.8 | Very high | 86.6 | Confident | 27 Ų | 27 | 50 Ų | 50 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.2 | -39.7 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | I995 E1043 L1045 T1057 L1058 Y1063 K1064 A1065 | I995-V1061 HydrophobicContact CD1-CG1 4.04Å; I995-V1061 HydrophobicContact CG1-CG1 4.4Å; E1043-V1061 HydrophobicContact CB-CG1 4.46Å; L1045-V1061 HydrophobicContact CD1-CB 4.25Å; L1045-V1061 HydrophobicContact CD1-CG1 4.45Å; L1045-V1061 HydrophobicContact CD1-CG2 4.19Å; T1057-V1061 WeakPolarHBondContact O-CB 3.26Å; T1057-V1061 WeakPolarHBondContact O-CG2 3.49Å; T1057-V1061 PolarHBondContact O-N 3.4Å; L1058-V1061 PolarHBondContact O-N 2.91Å; V1061-Y1063 VanDerWaalsContact C-N 3.34Å; V1061-K1064 PolarHBondContact O-N 2.9Å; V1061-A1065 WeakPolarHBondContact O-CB 3.32Å; V1061-A1065 PolarHBondContact O-N 3.13Å |
| 1062 | I | 92 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 172.6 | -64.4 | 159.4 | 0 | 0 | 0 | 110.2 | L859 L876 W920 F937 I961 L963 I995 L1058 C1059 A1065 A1066 | L859-I1062 HydrophobicContact CD1-CG2 4.13Å; L859-I1062 HydrophobicContact CD2-CG2 4.49Å; L876-I1062 HydrophobicContact CD1-CD1 4.46Å; L876-I1062 HydrophobicContact CD2-CD1 4.35Å; W920-I1062 HydrophobicContact CH2-CD1 4.31Å; W920-I1062 HydrophobicContact CZ3-CD1 4.35Å; W920-I1062 HydrophobicContact CZ3-CG2 4.09Å; F937-I1062 HydrophobicContact CE1-CG2 4.1Å; F937-I1062 HydrophobicContact CE2-CG2 4.37Å; F937-I1062 HydrophobicContact CZ-CG2 3.92Å; I961-I1062 HydrophobicContact CD1-CG2 4.46Å; L963-I1062 HydrophobicContact CD1-CD1 3.94Å; L963-I1062 HydrophobicContact CD2-CD1 4.04Å; L963-I1062 HydrophobicContact CD2-CG1 4.15Å; I995-I1062 HydrophobicContact CD1-CG1 3.93Å; L1058-I1062 HydrophobicContact CD1-CD1 4.04Å; L1058-I1062 HydrophobicContact CD1-CG1 4.22Å; L1058-I1062 HydrophobicContact CG-CD1 3.89Å; L1058-I1062 WeakPolarHBondContact O-CD1 3.17Å; L1058-I1062 VanDerWaalsContact O-CG1 3.27Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.43Å; L1058-I1062 PolarHBondContact O-N 3.07Å; C1059-I1062 PolarHBondContact O-N 3.09Å; I1062-A1065 PolarHBondContact O-N 3.19Å; I1062-A1066 WeakPolarHBondContact O-CB 3.41Å; I1062-A1066 PolarHBondContact O-N 3.46Å |
| 1063 | Y | 90.8 | Very high | 83.8 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.7 | -171.2 | -84.6 | 0 | 0 | 0 | 111.6 | Y922 P924 V933 I935 C1059 V1061 A1066 T1067 | Y922-Y1063 HydrophobicContact CD1-CD2 4.09Å; P924-Y1063 VanDerWaalsContact CD-CD2 3.48Å; P924-Y1063 HydrophobicContact CG-CD1 3.73Å; P924-Y1063 HydrophobicContact CG-CD2 3.82Å; P924-Y1063 HydrophobicContact CG-CE1 3.98Å; P924-Y1063 HydrophobicContact CG-CE2 4.05Å; P924-Y1063 HydrophobicContact CG-CG 3.66Å; V933-Y1063 PolarHBondContact N-OH 3.16Å; V933-Y1063 WeakPolarHBondContact O-CE2 3.26Å; V933-Y1063 PolarHBondContact O-OH 2.9Å; I935-Y1063 HydrophobicContact CD1-CD2 3.54Å; I935-Y1063 HydrophobicContact CD1-CE2 3.36Å; I935-Y1063 HydrophobicContact CD1-CG 4.21Å; I935-Y1063 HydrophobicContact CG1-CD2 4.23Å; I935-Y1063 HydrophobicContact CG1-CE2 3.74Å; C1059-Y1063 WeakPolarHBondContact O-CB 3.19Å; C1059-Y1063 PolarHBondContact O-N 3.03Å; V1061-Y1063 VanDerWaalsContact C-N 3.34Å; Y1063-A1066 WeakPolarHBondContact O-CB 3.19Å; Y1063-A1066 PolarHBondContact O-N 3.37Å; Y1063-T1067 HydrophobicContact CD1-CG2 4.17Å; Y1063-T1067 HydrophobicContact CE1-CG2 3.75Å; Y1063-T1067 PolarHBondContact O-N 3.25Å; Y1063-T1067 PolarHBondContact O-OG1 3.21Å |
| 1064 | K | 89.2 | Confident | 82.6 | Confident | 109 Ų | 109 | 46.4 Ų | 46.4 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.2 | -53.1 | 175.7 | -178.6 | -171.4 | 172.2 | -166.6 | 0 | 111.2 | D1060 V1061 A1066 T1067 E1068 | D1060-K1064 WeakPolarHBondContact O-CB 3.39Å; D1060-K1064 PolarHBondContact O-N 3.09Å; V1061-K1064 PolarHBondContact O-N 2.9Å; K1064-A1066 PolarHBondContact O-N 3.34Å; K1064-T1067 WeakPolarHBondContact CA-OG1 3.49Å; K1064-T1067 PolarHBondContact O-N 3.06Å; K1064-T1067 PolarHBondContact O-OG1 2.92Å; K1064-E1068 WeakPolarHBondContact CE-OE1 3.28Å; K1064-E1068 WeakPolarHBondContact CE-OE2 3.48Å; K1064-E1068 HydrophobicContact CG-CG 4.34Å; K1064-E1068 IonicContact NZ-OE1 3.52Å; K1064-E1068 IonicContact NZ-OE2 2.76Å; K1064-E1068 WeakPolarHBondContact O-CG 3.32Å; K1064-E1068 PolarHBondContact O-N 2.92Å |
| 1065 | A | 89 | Confident | 81.3 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58 | -35.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I995 I1042 V1061 I1062 L1069 | I995-A1065 HydrophobicContact CD1-CB 4.24Å; I1042-A1065 HydrophobicContact CD1-CB 3.9Å; V1061-A1065 WeakPolarHBondContact O-CB 3.32Å; V1061-A1065 PolarHBondContact O-N 3.13Å; I1062-A1065 PolarHBondContact O-N 3.19Å; A1065-L1069 WeakPolarHBondContact O-CB 2.84Å; A1065-L1069 PolarHBondContact O-N 2.91Å |
| 1066 | A | 88.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I935 F937 I961 I1062 Y1063 K1064 I1079 | I935-A1066 HydrophobicContact CD1-CB 4.03Å; F937-A1066 HydrophobicContact CE1-CB 3.86Å; F937-A1066 HydrophobicContact CZ-CB 3.84Å; I961-A1066 HydrophobicContact CD1-CB 3.64Å; I1062-A1066 WeakPolarHBondContact O-CB 3.41Å; I1062-A1066 PolarHBondContact O-N 3.46Å; Y1063-A1066 WeakPolarHBondContact O-CB 3.19Å; Y1063-A1066 PolarHBondContact O-N 3.37Å; K1064-A1066 PolarHBondContact O-N 3.34Å; A1066-I1079 HydrophobicContact CB-CD1 3.75Å; A1066-I1079 WeakPolarHBondContact O-CD1 3.26Å |
| 1067 | T | 85.7 | Confident | 79.6 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.5 | -25 | 177 | 52 | 0 | 0 | 0 | 0 | 114.3 | I935 Y1063 K1064 A1077 | I935-T1067 HydrophobicContact CD1-CG2 4.25Å; Y1063-T1067 HydrophobicContact CD1-CG2 4.17Å; Y1063-T1067 HydrophobicContact CE1-CG2 3.75Å; Y1063-T1067 PolarHBondContact O-N 3.25Å; Y1063-T1067 PolarHBondContact O-OG1 3.21Å; K1064-T1067 WeakPolarHBondContact CA-OG1 3.49Å; K1064-T1067 PolarHBondContact O-N 3.06Å; K1064-T1067 PolarHBondContact O-OG1 2.92Å; T1067-A1077 WeakPolarHBondContact O-CB 3.37Å |
| 1068 | E | 84.2 | Confident | 78.9 | Confident | 91 Ų | 91 | 43.1 Ų | 43.1 | 43% | 0.425 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -2.8 | 177.4 | -69.3 | 178.6 | 171.5 | 0 | 0 | 113.2 | K1064 | K1064-E1068 WeakPolarHBondContact CE-OE1 3.28Å; K1064-E1068 WeakPolarHBondContact CE-OE2 3.48Å; K1064-E1068 HydrophobicContact CG-CG 4.34Å; K1064-E1068 IonicContact NZ-OE1 3.52Å; K1064-E1068 IonicContact NZ-OE2 2.76Å; K1064-E1068 WeakPolarHBondContact O-CG 3.32Å; K1064-E1068 PolarHBondContact O-N 2.92Å |
| 1069 | L | 81.6 | Confident | 78.4 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | trans | -74.6 | 129.9 | -178.7 | -162.2 | 53.6 | 0 | 0 | 0 | 110.7 | L857 I961 P993 A1065 A1077 L1078 | L857-L1069 HydrophobicContact CD2-CD2 3.86Å; I961-L1069 HydrophobicContact CG1-CD2 4.48Å; P993-L1069 HydrophobicContact CB-CD1 4.43Å; P993-L1069 HydrophobicContact CG-CD1 3.68Å; P993-L1069 HydrophobicContact CG-CD2 4.2Å; A1065-L1069 WeakPolarHBondContact O-CB 2.84Å; A1065-L1069 PolarHBondContact O-N 2.91Å; L1069-A1077 CarbonylContact O-C 3.6Å; L1069-A1077 WeakPolarHBondContact O-CA 3.15Å; L1069-L1078 HydrophobicContact CB-CD1 4.41Å; L1069-L1078 HydrophobicContact CD2-CD1 4.27Å; L1069-L1078 HydrophobicContact CG-CD1 3.76Å; L1069-L1078 PolarHBondContact O-N 3.35Å | ||
| 1070 | R | 74.8 | Confident | 77.7 | Confident | 124 Ų | 124 | 49.9 Ų | 49.9 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | trans | -129.4 | 151.9 | 179.7 | -49.7 | -160.1 | -178.7 | -76.8 | 11.2 | 110.8 | S1074 K1075 V1076 A1077 | R1070-S1074 WeakPolarHBondContact CD-O 3.46Å; R1070-K1075 VanDerWaalsContact CZ-O 3.28Å; R1070-K1075 PolarHBondContact NH1-O 3.27Å; R1070-V1076 WeakPolarHBondContact CB-O 3.46Å; R1070-V1076 WeakPolarHBondContact CD-O 3.37Å; R1070-V1076 WeakPolarHBondContact CG-O 3.38Å; R1070-V1076 PolarHBondContact NH1-O 2.94Å; R1070-A1077 VanDerWaalsContact NH1-N 3.13Å | ||
| 1071 | S | 67.7 | Low | 77 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | trans | -72.3 | 152.5 | 167.1 | 41.1 | 0 | 0 | 0 | 0 | 110.4 | G1073 S1074 | S1071-G1073 PolarHBondContact O-N 2.83Å; S1071-S1074 PolarHBondContact O-N 2.7Å; S1071-S1074 WeakPolarHBondContact OG-CB 3.49Å | ||
| 1072 | P | 58.4 | Low | 76.1 | Confident | 127 Ų | 127 | 53.2 Ų | 53.2 | 83% | 0.825 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 130.3 | 177.5 | -26.4 | 35.5 | 0 | 0 | 0 | 111.8 | S1074 | P1072-S1074 PolarHBondContact O-N 2.68Š|
| 1073 | G | 54.5 | Low | 75.3 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -10.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L828 S1071 | L828-G1073 VanDerWaalsContact CD2-O 3.27Å; L828-G1073 WeakPolarHBondContact CD2-O 3.2Å; S1071-G1073 PolarHBondContact O-N 2.83Å |
| 1074 | S | 60.2 | Low | 74.6 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | trans | -94.4 | 136.6 | -175.8 | -164.3 | 0 | 0 | 0 | 0 | 113.5 | R1070 S1071 P1072 V1076 | R1070-S1074 WeakPolarHBondContact CD-O 3.46Å; S1071-S1074 PolarHBondContact O-N 2.7Å; S1071-S1074 WeakPolarHBondContact OG-CB 3.49Å; P1072-S1074 PolarHBondContact O-N 2.68Å; S1074-V1076 WeakPolarHBondContact OG-CA 3.48Å; S1074-V1076 PolarHBondContact OG-N 2.69Å | ||
| 1075 | K | 61.9 | Low | 74.1 | Confident | 75 Ų | 75 | 49 Ų | 49 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | trans | -80.5 | -4.7 | 162.5 | -54 | -164.9 | -170.2 | -168.5 | 0 | 112.5 | E823 P824 D827 R1070 | E823-K1075 IonicContact OE1-NZ 3.69Å; E823-K1075 PolarHBondContact OE1-NZ 3.4Å; E823-K1075 WeakPolarHBondContact OE2-CE 3.27Å; E823-K1075 IonicContact OE2-NZ 3.25Å; E823-K1075 PolarHBondContact OE2-NZ 2.97Å; P824-K1075 HydrophobicContact CB-CG 4.46Å; D827-K1075 IonicContact OD1-NZ 3.81Å; D827-K1075 PolarHBondContact OD1-NZ 2.95Å; D827-K1075 WeakPolarHBondContact OD2-CE 3.47Å; D827-K1075 IonicContact OD2-NZ 3.86Å; D827-K1075 PolarHBondContact OD2-NZ 2.95Å; R1070-K1075 VanDerWaalsContact CZ-O 3.28Å; R1070-K1075 PolarHBondContact NH1-O 3.27Å | ||
| 1076 | V | 66.6 | Low | 73.7 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -54.1 | 140.2 | 167.9 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | R1070 S1074 E1080 | R1070-V1076 WeakPolarHBondContact CB-O 3.46Å; R1070-V1076 WeakPolarHBondContact CD-O 3.37Å; R1070-V1076 WeakPolarHBondContact CG-O 3.38Å; R1070-V1076 PolarHBondContact NH1-O 2.94Å; S1074-V1076 WeakPolarHBondContact OG-CA 3.48Å; S1074-V1076 PolarHBondContact OG-N 2.69Å; V1076-E1080 HydrophobicContact CG1-CB 4.02Å |
| 1077 | A | 73.3 | Confident | 73.6 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | trans | -87.3 | 139.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T1067 L1069 R1070 I1079 E1080 Q1081 | T1067-A1077 WeakPolarHBondContact O-CB 3.37Å; L1069-A1077 CarbonylContact O-C 3.6Å; L1069-A1077 WeakPolarHBondContact O-CA 3.15Å; R1070-A1077 VanDerWaalsContact NH1-N 3.13Å; A1077-I1079 PolarHBondContact O-N 2.94Å; A1077-E1080 HydrophobicContact CB-CB 4.14Å; A1077-E1080 HydrophobicContact CB-CG 4.08Å; A1077-E1080 WeakPolarHBondContact CB-OE2 3.26Å; A1077-E1080 CarbonylContact O-C 3.56Å; A1077-E1080 PolarHBondContact O-N 3.03Å; A1077-Q1081 PolarHBondContact O-N 2.82Å | ||
| 1078 | L | 76.5 | Confident | 73.5 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11.3 | -172.7 | -91.1 | 159.7 | 0 | 0 | 0 | 115.1 | R959 L1069 | R959-L1078 PolarHBondContact NH2-O 3.25Å; L1069-L1078 HydrophobicContact CB-CD1 4.41Å; L1069-L1078 HydrophobicContact CD2-CD1 4.27Å; L1069-L1078 HydrophobicContact CG-CD1 3.76Å; L1069-L1078 PolarHBondContact O-N 3.35Å |
| 1079 | I | 80.8 | Confident | 73.7 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -29 | 174.8 | -63.3 | -175.1 | 0 | 0 | 0 | 111.5 | A855 L857 I935 A1066 A1077 Q1081 | A855-I1079 HydrophobicContact CB-CG2 4.29Å; L857-I1079 HydrophobicContact CD1-CD1 4.49Å; L857-I1079 HydrophobicContact CD1-CG1 4.12Å; I935-I1079 HydrophobicContact CD1-CD1 3.49Å; I935-I1079 VanDerWaalsContact CD1-CD1 3.49Å; I935-I1079 HydrophobicContact CG1-CD1 3.98Å; I935-I1079 HydrophobicContact CG2-CD1 4.16Å; A1066-I1079 HydrophobicContact CB-CD1 3.75Å; A1066-I1079 WeakPolarHBondContact O-CD1 3.26Å; A1077-I1079 PolarHBondContact O-N 2.94Å; I1079-Q1081 VanDerWaalsContact C-N 3.35Å |
| 1080 | E | 76.3 | Confident | 74.1 | Confident | 129 Ų | 129 | 45.4 Ų | 45.4 | 60% | 0.603 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -8.1 | 174.1 | -59.8 | 176.4 | 157.9 | 0 | 0 | 111.4 | V1076 A1077 Q1082 | V1076-E1080 HydrophobicContact CG1-CB 4.02Å; A1077-E1080 HydrophobicContact CB-CB 4.14Å; A1077-E1080 HydrophobicContact CB-CG 4.08Å; A1077-E1080 WeakPolarHBondContact CB-OE2 3.26Å; A1077-E1080 CarbonylContact O-C 3.56Å; A1077-E1080 PolarHBondContact O-N 3.03Å; E1080-Q1082 PolarHBondContact O-N 3.42Å; E1080-Q1082 VanDerWaalsContact O-N 3.16Å |
| 1081 | Q | 73.9 | Confident | 74.9 | Confident | 64 Ų | 64 | 39.9 Ų | 39.9 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | trans | -56.6 | 118.5 | 172.7 | -175.7 | -175.9 | 20.7 | 0 | 0 | 109.4 | A1077 I1079 V1083 | A1077-Q1081 PolarHBondContact O-N 2.82Å; I1079-Q1081 VanDerWaalsContact C-N 3.35Å; Q1081-V1083 HydrophobicContact CG-CG2 4.39Å; Q1081-V1083 PolarHBondContact O-N 3.45Å | ||
| 1082 | Q | 72.8 | Confident | 76 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 122.5 | 169.7 | -63.7 | -69.9 | 27.7 | 0 | 0 | 109.3 | S851 K852 P853 E1080 | S851-Q1082 PolarHBondContact O-OE1 2.94Å; K852-Q1082 VanDerWaalsContact CA-OE1 3.23Å; P853-Q1082 VanDerWaalsContact CD-OE1 3.25Å; E1080-Q1082 PolarHBondContact O-N 3.42Å; E1080-Q1082 VanDerWaalsContact O-N 3.16Å |
| 1083 | V | 74.5 | Confident | 77.6 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.9 | -178.2 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | S851 K852 Y854 Q1081 S1085 Y1087 F1143 | S851-V1083 WeakPolarHBondContact CA-O 3.45Å; K852-V1083 PolarHBondContact N-O 2.81Å; K852-V1083 PolarHBondContact O-N 2.72Å; Y854-V1083 HydrophobicContact CG-CG2 4.45Å; Q1081-V1083 HydrophobicContact CG-CG2 4.39Å; Q1081-V1083 PolarHBondContact O-N 3.45Å; V1083-S1085 PolarHBondContact O-N 3.17Å; V1083-Y1087 HydrophobicContact CG1-CD2 4.23Å; V1083-Y1087 HydrophobicContact CG1-CG 4.49Å; V1083-F1143 HydrophobicContact CG1-CE1 4.14Å; V1083-F1143 HydrophobicContact CG1-CE2 4.05Å; V1083-F1143 HydrophobicContact CG1-CZ 3.74Å; V1083-F1143 HydrophobicContact CG2-CE2 4.01Å; V1083-F1143 HydrophobicContact CG2-CZ 4.1Å |
| 1084 | P | 77.6 | Confident | 79.4 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | trans | -47.6 | 130.9 | 173.3 | -34.4 | 39.2 | 0 | 0 | 0 | 113.9 | E848 A1086 Y1087 | E848-P1084 VanDerWaalsContact OE2-CA 3.26Å; E848-P1084 WeakPolarHBondContact OE2-CA 3.17Å; E848-P1084 VanDerWaalsContact OE2-CB 3.29Å; E848-P1084 WeakPolarHBondContact OE2-CB 3.45Å; P1084-A1086 PolarHBondContact O-N 2.89Å; P1084-Y1087 HydrophobicContact CB-CD1 3.8Å; P1084-Y1087 HydrophobicContact CB-CE1 4Å; P1084-Y1087 HydrophobicContact CB-CG 4.15Å; P1084-Y1087 HydrophobicContact CG-CD1 4.41Å; P1084-Y1087 HydrophobicContact CG-CE1 4.24Å; P1084-Y1087 WeakPolarHBondContact O-CB 3.49Å; P1084-Y1087 PolarHBondContact O-N 3.46Å | ||
| 1085 | S | 77.8 | Confident | 80.8 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.2 | -15.4 | -178.1 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | Y850 V1083 Y1087 A1089 R1129 | Y850-S1085 WeakPolarHBondContact O-CB 3.35Å; V1083-S1085 PolarHBondContact O-N 3.17Å; S1085-Y1087 VanDerWaalsContact C-N 3.34Å; S1085-A1089 PolarHBondContact O-N 3.33Å; S1085-R1129 PolarHBondContact O-NH2 3.05Å; S1085-R1129 PolarHBondContact OG-NH1 2.98Å; S1085-R1129 PolarHBondContact OG-NH2 2.79Å |
| 1086 | A | 79.7 | Confident | 82.2 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -32.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1084 A1089 L1090 M1123 F1131 | P1084-A1086 PolarHBondContact O-N 2.89Å; A1086-A1089 PolarHBondContact O-N 2.89Å; A1086-L1090 PolarHBondContact O-N 2.88Å; A1086-M1123 HydrophobicContact CB-CE 4.36Å; A1086-F1131 HydrophobicContact CB-CE1 4.16Å |
| 1087 | Y | 86.2 | Confident | 83.5 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74 | -36.5 | -178.4 | -68.4 | 22.1 | 0 | 0 | 0 | 110.6 | V1083 P1084 S1085 L1090 E1091 F1131 E1136 Q1139 A1140 F1143 | V1083-Y1087 HydrophobicContact CG1-CD2 4.23Å; V1083-Y1087 HydrophobicContact CG1-CG 4.49Å; P1084-Y1087 HydrophobicContact CB-CD1 3.8Å; P1084-Y1087 HydrophobicContact CB-CE1 4Å; P1084-Y1087 HydrophobicContact CB-CG 4.15Å; P1084-Y1087 HydrophobicContact CG-CD1 4.41Å; P1084-Y1087 HydrophobicContact CG-CE1 4.24Å; P1084-Y1087 WeakPolarHBondContact O-CB 3.49Å; P1084-Y1087 PolarHBondContact O-N 3.46Å; S1085-Y1087 VanDerWaalsContact C-N 3.34Å; Y1087-L1090 PolarHBondContact O-N 3.2Å; Y1087-E1091 PolarHBondContact O-N 3.15Å; Y1087-F1131 HydrophobicContact CD1-CE1 4.4Å; Y1087-E1136 HydrophobicContact CE1-CG 4.29Å; Y1087-Q1139 VanDerWaalsContact OH-CB 3.27Å; Y1087-Q1139 WeakPolarHBondContact OH-CB 3.21Å; Y1087-A1140 HydrophobicContact CD1-CB 3.54Å; Y1087-A1140 HydrophobicContact CD2-CB 4.16Å; Y1087-A1140 HydrophobicContact CE1-CB 3.73Å; Y1087-A1140 HydrophobicContact CE2-CB 4.31Å; Y1087-A1140 HydrophobicContact CG-CB 3.78Å; Y1087-F1143 HydrophobicContact CD2-CB 3.97Å; Y1087-F1143 HydrophobicContact CD2-CD1 4.04Å; Y1087-F1143 AromaticContact CD2-CG 3.95Å; Y1087-F1143 HydrophobicContact CD2-CG 3.95Å; Y1087-F1143 HydrophobicContact CE2-CB 4.28Å |
| 1088 | I | 85.4 | Confident | 84.3 | Confident | 45 Ų | 45 | 35.5 Ų | 35.5 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 173.3 | -58.4 | 170.6 | 0 | 0 | 0 | 110.4 | K852 Y854 L1090 E1091 | K852-I1088 HydrophobicContact CB-CD1 4.11Å; Y854-I1088 HydrophobicContact CD2-CD1 4.48Å; Y854-I1088 HydrophobicContact CD2-CG1 4.16Å; Y854-I1088 HydrophobicContact CE2-CG1 4.48Å; I1088-L1090 VanDerWaalsContact C-N 3.33Å; I1088-L1090 PolarHBondContact O-N 3.31Å; I1088-E1091 VanDerWaalsContact O-CB 3.31Å; I1088-E1091 WeakPolarHBondContact O-CB 3.42Å; I1088-E1091 PolarHBondContact O-N 2.83Å |
| 1089 | A | 86.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1085 A1086 E1091 E1092 I1093 M1123 F1127 | S1085-A1089 PolarHBondContact O-N 3.33Å; A1086-A1089 PolarHBondContact O-N 2.89Å; A1089-E1091 VanDerWaalsContact C-N 3.3Å; A1089-E1091 PolarHBondContact O-N 3.34Å; A1089-E1092 PolarHBondContact O-N 3.02Å; A1089-I1093 VanDerWaalsContact O-CG1 3.26Å; A1089-I1093 WeakPolarHBondContact O-CG1 3.31Å; A1089-I1093 PolarHBondContact O-N 2.8Å; A1089-M1123 HydrophobicContact CB-CE 4.06Å; A1089-M1123 HydrophobicContact CB-SD 3.92Å; A1089-F1127 HydrophobicContact CB-CD1 4.03Å; A1089-F1127 HydrophobicContact CB-CD2 3.75Å; A1089-F1127 HydrophobicContact CB-CE1 4.01Å; A1089-F1127 HydrophobicContact CB-CE2 3.73Å; A1089-F1127 HydrophobicContact CB-CG 3.89Å; A1089-F1127 HydrophobicContact CB-CZ 3.87Å |
| 1090 | L | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -34.3 | 175 | -172.4 | 63.2 | 0 | 0 | 0 | 112.9 | A1086 Y1087 I1088 E1092 I1093 V1094 V1119 F1131 L1137 A1140 V1141 L1144 | A1086-L1090 PolarHBondContact O-N 2.88Å; Y1087-L1090 PolarHBondContact O-N 3.2Å; I1088-L1090 VanDerWaalsContact C-N 3.33Å; I1088-L1090 PolarHBondContact O-N 3.31Å; L1090-E1092 VanDerWaalsContact C-N 3.3Å; L1090-E1092 PolarHBondContact O-N 3.3Å; L1090-I1093 PolarHBondContact O-N 3Å; L1090-V1094 HydrophobicContact CD1-CG2 4.04Å; L1090-V1094 HydrophobicContact CG-CG2 4.08Å; L1090-V1094 WeakPolarHBondContact O-CB 3.33Å; L1090-V1094 VanDerWaalsContact O-CG2 3.3Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.26Å; L1090-V1094 PolarHBondContact O-N 3.31Å; L1090-V1119 HydrophobicContact CD1-CB 4.46Å; L1090-V1119 HydrophobicContact CD1-CG1 3.42Å; L1090-V1119 VanDerWaalsContact CD1-CG1 3.42Å; L1090-V1119 HydrophobicContact CD1-CG2 4.15Å; L1090-F1131 HydrophobicContact CB-CZ 4.06Å; L1090-F1131 HydrophobicContact CD1-CE2 4.19Å; L1090-F1131 HydrophobicContact CD1-CZ 4.29Å; L1090-F1131 HydrophobicContact CD2-CE2 4.48Å; L1090-F1131 HydrophobicContact CD2-CZ 3.95Å; L1090-F1131 HydrophobicContact CG-CZ 4.32Å; L1090-L1137 HydrophobicContact CD1-CD1 4.43Å; L1090-L1137 HydrophobicContact CD2-CD1 4.03Å; L1090-A1140 HydrophobicContact CD2-CB 3.6Å; L1090-V1141 HydrophobicContact CD2-CG2 4.26Å; L1090-L1144 HydrophobicContact CB-CD1 4.03Å; L1090-L1144 HydrophobicContact CD2-CD1 3.66Å; L1090-L1144 HydrophobicContact CG-CD1 3.57Å |
| 1091 | E | 91 | Very high | 85.8 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.1 | -46.2 | 175.8 | -164.8 | 179.3 | 175.5 | 0 | 0 | 111.2 | Y854 R856 Y1087 I1088 A1089 V1095 L1144 V1149 | Y854-E1091 PolarHBondContact OH-OE2 3.44Å; R856-E1091 IonicContact CZ-OE1 2.79Å; R856-E1091 IonicContact CZ-OE2 3.18Å; R856-E1091 IonicContact NH1-OE1 3.03Å; R856-E1091 PolarHBondContact NH1-OE1 3.26Å; R856-E1091 IonicContact NH1-OE2 3.98Å; R856-E1091 PolarHBondContact NH1-OE2 2.98Å; Y1087-E1091 PolarHBondContact O-N 3.15Å; I1088-E1091 VanDerWaalsContact O-CB 3.31Å; I1088-E1091 WeakPolarHBondContact O-CB 3.42Å; I1088-E1091 PolarHBondContact O-N 2.83Å; A1089-E1091 VanDerWaalsContact C-N 3.3Å; A1089-E1091 PolarHBondContact O-N 3.34Å; E1091-V1095 WeakPolarHBondContact O-CG2 3.2Å; E1091-V1095 PolarHBondContact O-N 2.74Å; E1091-V1095 VanDerWaalsContact O-N 3.12Å; E1091-L1144 HydrophobicContact CB-CD2 3.82Å; E1091-L1144 HydrophobicContact CG-CD2 4.01Å; E1091-V1149 HydrophobicContact CG-CB 4.38Å; E1091-V1149 HydrophobicContact CG-CG1 3.71Å; E1091-V1149 HydrophobicContact CG-CG2 3.8Å; E1091-V1149 WeakPolarHBondContact OE1-CG2 3.39Å |
| 1092 | E | 90.4 | Very high | 86.2 | Confident | 125 Ų | 125 | 40.7 Ų | 40.7 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -68.7 | -40.5 | 179 | -60.8 | -169.3 | 166.1 | 0 | 0 | 112.4 | A1089 L1090 K1096 F1127 | A1089-E1092 PolarHBondContact O-N 3.02Å; L1090-E1092 VanDerWaalsContact C-N 3.3Å; L1090-E1092 PolarHBondContact O-N 3.3Å; E1092-K1096 VanDerWaalsContact O-CB 3.29Å; E1092-K1096 WeakPolarHBondContact O-CB 3.4Å; E1092-K1096 PolarHBondContact O-N 2.79Å; E1092-F1127 HydrophobicContact CB-CZ 4.47Å |
| 1093 | I | 93.2 | Very high | 86.7 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 175.8 | -61.1 | -84.2 | 0 | 0 | 0 | 110.5 | A1089 L1090 K1096 L1097 V1119 Q1122 M1123 H1126 F1127 | A1089-I1093 VanDerWaalsContact O-CG1 3.26Å; A1089-I1093 WeakPolarHBondContact O-CG1 3.31Å; A1089-I1093 PolarHBondContact O-N 2.8Å; L1090-I1093 PolarHBondContact O-N 3Å; I1093-K1096 PolarHBondContact O-N 2.84Å; I1093-L1097 HydrophobicContact CG2-CD1 3.86Å; I1093-L1097 HydrophobicContact CG2-CG 4.39Å; I1093-L1097 WeakPolarHBondContact O-CG 3.28Å; I1093-L1097 PolarHBondContact O-N 3.13Å; I1093-V1119 HydrophobicContact CG2-CG2 4.47Å; I1093-Q1122 HydrophobicContact CD1-CB 3.71Å; I1093-Q1122 HydrophobicContact CG2-CB 4.08Å; I1093-M1123 HydrophobicContact CD1-CG 4.44Å; I1093-M1123 HydrophobicContact CD1-SD 4.42Å; I1093-M1123 HydrophobicContact CG1-CG 4.28Å; I1093-M1123 HydrophobicContact CG1-SD 3.91Å; I1093-H1126 HydrophobicContact CD1-CB 4.37Å; I1093-F1127 HydrophobicContact CD1-CD2 4.28Å; I1093-F1127 HydrophobicContact CD1-CE2 3.94Å; I1093-F1127 HydrophobicContact CG1-CE2 3.98Å |
| 1094 | V | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -44.4 | -176.2 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | L1090 K1096 L1097 A1098 F1115 L1144 V1149 M1150 L1164 | L1090-V1094 HydrophobicContact CD1-CG2 4.04Å; L1090-V1094 HydrophobicContact CG-CG2 4.08Å; L1090-V1094 WeakPolarHBondContact O-CB 3.33Å; L1090-V1094 VanDerWaalsContact O-CG2 3.3Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.26Å; L1090-V1094 PolarHBondContact O-N 3.31Å; V1094-K1096 VanDerWaalsContact C-N 3.3Å; V1094-K1096 PolarHBondContact O-N 2.72Å; V1094-L1097 PolarHBondContact O-N 2.87Å; V1094-A1098 PolarHBondContact O-N 3.28Å; V1094-F1115 HydrophobicContact CG2-CE2 4.39Å; V1094-F1115 HydrophobicContact CG2-CZ 4.43Å; V1094-L1144 HydrophobicContact CG2-CD1 4.25Å; V1094-V1149 HydrophobicContact CG1-CG1 4.36Å; V1094-M1150 HydrophobicContact CG1-CB 3.87Å; V1094-M1150 HydrophobicContact CG1-CG 4.39Å; V1094-M1150 HydrophobicContact CG1-SD 4.02Å; V1094-M1150 HydrophobicContact CG2-SD 4.02Å; V1094-L1164 HydrophobicContact CG1-CD2 4.3Å |
| 1095 | V | 89.6 | Confident | 87 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | E1091 A1099 V1149 | E1091-V1095 WeakPolarHBondContact O-CG2 3.2Å; E1091-V1095 PolarHBondContact O-N 2.74Å; E1091-V1095 VanDerWaalsContact O-N 3.12Å; V1095-A1099 PolarHBondContact O-N 2.83Å; V1095-V1149 HydrophobicContact CG2-CG1 4.24Å |
| 1096 | K | 91 | Very high | 87 | Confident | 79 Ų | 79 | 53 Ų | 53 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65 | -48.9 | 175.4 | 178.3 | 176.7 | 170.7 | 176.7 | 0 | 112.2 | E1092 I1093 V1094 A1098 A1099 E1100 H1126 | E1092-K1096 VanDerWaalsContact O-CB 3.29Å; E1092-K1096 WeakPolarHBondContact O-CB 3.4Å; E1092-K1096 PolarHBondContact O-N 2.79Å; I1093-K1096 PolarHBondContact O-N 2.84Å; V1094-K1096 VanDerWaalsContact C-N 3.3Å; V1094-K1096 PolarHBondContact O-N 2.72Å; K1096-A1098 VanDerWaalsContact C-N 3.3Å; K1096-A1098 PolarHBondContact O-N 3.42Å; K1096-A1099 PolarHBondContact O-N 2.85Å; K1096-A1099 VanDerWaalsContact O-N 3.14Å; K1096-E1100 WeakPolarHBondContact CE-OE1 3.43Å; K1096-E1100 HydrophobicContact CG-CG 4.41Å; K1096-E1100 IonicContact NZ-OE1 2.7Å; K1096-E1100 WeakPolarHBondContact O-CG 3.48Å; K1096-E1100 PolarHBondContact O-N 3.03Å; K1096-H1126 PolarHBondContact NZ-CE1 3.2Å; K1096-H1126 PolarHBondContact NZ-NE2 2.69Å |
| 1097 | L | 92.9 | Very high | 86.9 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 178.2 | -71.8 | 171.9 | 0 | 0 | 0 | 112.3 | I1093 V1094 R1101 T1118 V1119 L1164 | I1093-L1097 HydrophobicContact CG2-CD1 3.86Å; I1093-L1097 HydrophobicContact CG2-CG 4.39Å; I1093-L1097 WeakPolarHBondContact O-CG 3.28Å; I1093-L1097 PolarHBondContact O-N 3.13Å; V1094-L1097 PolarHBondContact O-N 2.87Å; L1097-R1101 WeakPolarHBondContact O-CB 3.42Å; L1097-R1101 WeakPolarHBondContact O-CG 3.4Å; L1097-R1101 PolarHBondContact O-N 2.79Å; L1097-T1118 HydrophobicContact CD1-CG2 4.15Å; L1097-T1118 HydrophobicContact CD2-CG2 3.79Å; L1097-V1119 HydrophobicContact CD1-CG2 4.39Å; L1097-L1164 HydrophobicContact CB-CD1 3.83Å |
| 1098 | A | 89.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1094 K1096 K1102 L1164 D1165 | V1094-A1098 PolarHBondContact O-N 3.28Å; K1096-A1098 VanDerWaalsContact C-N 3.3Å; K1096-A1098 PolarHBondContact O-N 3.42Å; A1098-K1102 VanDerWaalsContact O-CB 3.27Å; A1098-K1102 WeakPolarHBondContact O-CB 3.49Å; A1098-K1102 PolarHBondContact O-N 3.15Å; A1098-K1102 VanDerWaalsContact O-N 3.08Å; A1098-L1164 HydrophobicContact CB-CB 3.76Å; A1098-D1165 HydrophobicContact CB-CB 4.5Å |
| 1099 | A | 88.1 | Confident | 86.9 | Confident | 61 Ų | 61 | 52 Ų | 52 | 50% | 0.504 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1095 K1096 K1102 A1103 | V1095-A1099 PolarHBondContact O-N 2.83Å; K1096-A1099 PolarHBondContact O-N 2.85Å; K1096-A1099 VanDerWaalsContact O-N 3.14Å; A1099-K1102 PolarHBondContact O-N 3.49Å; A1099-A1103 WeakPolarHBondContact O-CB 3.19Å; A1099-A1103 PolarHBondContact O-N 3.31Å |
| 1100 | E | 89.5 | Confident | 86.9 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 177.5 | -74 | 176.5 | 176.3 | 0 | 0 | 111.8 | K1096 A1103 A1104 | K1096-E1100 WeakPolarHBondContact CE-OE1 3.43Å; K1096-E1100 HydrophobicContact CG-CG 4.41Å; K1096-E1100 IonicContact NZ-OE1 2.7Å; K1096-E1100 WeakPolarHBondContact O-CG 3.48Å; K1096-E1100 PolarHBondContact O-N 3.03Å; E1100-A1103 PolarHBondContact O-N 2.9Å; E1100-A1104 WeakPolarHBondContact O-CB 3.27Å; E1100-A1104 PolarHBondContact O-N 2.98Å |
| 1101 | R | 88 | Confident | 86.5 | Confident | 55 Ų | 55 | 56 Ų | 56 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 178.3 | -69.7 | -177.7 | 65 | 100.1 | 3.3 | 112.2 | L1097 A1104 G1105 R1106 E1107 V1109 | L1097-R1101 WeakPolarHBondContact O-CB 3.42Å; L1097-R1101 WeakPolarHBondContact O-CG 3.4Å; L1097-R1101 PolarHBondContact O-N 2.79Å; R1101-A1104 CarbonylContact O-C 3.57Å; R1101-A1104 PolarHBondContact O-N 2.88Å; R1101-G1105 PolarHBondContact O-N 3.07Å; R1101-G1105 VanDerWaalsContact O-N 3.15Å; R1101-R1106 CarbonylContact C-O 3.59Å; R1101-R1106 PolarHBondContact O-N 2.74Å; R1101-R1106 VanDerWaalsContact O-O 3.13Å; R1101-E1107 VanDerWaalsContact CZ-O 3.29Å; R1101-E1107 PolarHBondContact NE-O 3.49Å; R1101-E1107 PolarHBondContact NH2-O 2.9Å; R1101-V1109 PolarHBondContact NE-O 3.39Å; R1101-V1109 PolarHBondContact NH2-O 3.43Å |
| 1102 | K | 82.2 | Confident | 86.1 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177 | -160.9 | 167.2 | -166.1 | 164.2 | 0 | 111.8 | A1098 A1099 G1105 D1165 | A1098-K1102 VanDerWaalsContact O-CB 3.27Å; A1098-K1102 WeakPolarHBondContact O-CB 3.49Å; A1098-K1102 PolarHBondContact O-N 3.15Å; A1098-K1102 VanDerWaalsContact O-N 3.08Å; A1099-K1102 PolarHBondContact O-N 3.49Å; K1102-G1105 PolarHBondContact O-N 3.11Å; K1102-D1165 IonicContact NZ-OD2 3.65Å; K1102-D1165 PolarHBondContact NZ-OD2 3.12Å |
| 1103 | A | 83.3 | Confident | 85.7 | Confident | 94 Ų | 94 | 57.2 Ų | 57.2 | 78% | 0.777 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.7 | -35.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1099 E1100 G1105 | A1099-A1103 WeakPolarHBondContact O-CB 3.19Å; A1099-A1103 PolarHBondContact O-N 3.31Å; E1100-A1103 PolarHBondContact O-N 2.9Å; A1103-G1105 PolarHBondContact O-N 2.79Å |
| 1104 | A | 83.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 0.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1100 R1101 R1106 | E1100-A1104 WeakPolarHBondContact O-CB 3.27Å; E1100-A1104 PolarHBondContact O-N 2.98Å; R1101-A1104 CarbonylContact O-C 3.57Å; R1101-A1104 PolarHBondContact O-N 2.88Å; A1104-R1106 VanDerWaalsContact C-N 3.3Å; A1104-R1106 HydrophobicContact CB-CG 4.47Å; A1104-R1106 PolarHBondContact O-N 3.04Å |
| 1105 | G | 74.4 | Confident | 85.3 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 25.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1101 K1102 A1103 | R1101-G1105 PolarHBondContact O-N 3.07Å; R1101-G1105 VanDerWaalsContact O-N 3.15Å; K1102-G1105 PolarHBondContact O-N 3.11Å; A1103-G1105 PolarHBondContact O-N 2.79Å |
| 1106 | R | 77.7 | Confident | 85.2 | Confident | 167 Ų | 167 | 59.9 Ų | 59.9 | 63% | 0.63 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -106.1 | 153.5 | 175.9 | -61.6 | 178.2 | 177.4 | -178.6 | -3.1 | 109.9 | R1101 A1104 | R1101-R1106 CarbonylContact C-O 3.59Å; R1101-R1106 PolarHBondContact O-N 2.74Å; R1101-R1106 VanDerWaalsContact O-O 3.13Å; A1104-R1106 VanDerWaalsContact C-N 3.3Å; A1104-R1106 HydrophobicContact CB-CG 4.47Å; A1104-R1106 PolarHBondContact O-N 3.04Å |
| 1107 | E | 77.3 | Confident | 85.1 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | trans | -61.8 | 143 | 176.8 | -57.8 | 69 | -136.7 | 0 | 0 | 110.4 | R1101 V1109 W1168 L1205 | R1101-E1107 VanDerWaalsContact CZ-O 3.29Å; R1101-E1107 PolarHBondContact NE-O 3.49Å; R1101-E1107 PolarHBondContact NH2-O 2.9Å; E1107-V1109 PolarHBondContact O-N 3.4Å; E1107-W1168 HydrophobicContact CB-CH2 4.39Å; E1107-W1168 HydrophobicContact CB-CZ2 4.01Å; E1107-W1168 HydrophobicContact CG-CH2 4.24Å; E1107-W1168 HydrophobicContact CG-CZ2 3.66Å; E1107-L1205 HydrophobicContact CG-CD1 4.04Å; E1107-L1205 WeakPolarHBondContact OE1-CG 3.49Å | ||
| 1108 | P | 87.4 | Confident | 85 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -77.2 | 43.3 | 173.7 | 34.8 | -36.2 | 0 | 0 | 0 | 111.8 | L1164 D1165 W1168 | P1108-L1164 HydrophobicContact CB-CB 4.47Å; P1108-L1164 WeakPolarHBondContact O-CB 3.28Å; P1108-L1164 PolarHBondContact O-N 2.82Å; P1108-D1165 HydrophobicContact CB-CB 3.59Å; P1108-D1165 HydrophobicContact CG-CB 3.55Å; P1108-W1168 HydrophobicContact CG-CB 3.71Å; P1108-W1168 HydrophobicContact CG-CD2 4Å; P1108-W1168 HydrophobicContact CG-CE3 4.46Å; P1108-W1168 HydrophobicContact CG-CG 3.64Å |
| 1109 | V | 84.1 | Confident | 85 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | R1101 E1107 L1161 Y1162 F1163 W1168 | R1101-V1109 PolarHBondContact NE-O 3.39Å; R1101-V1109 PolarHBondContact NH2-O 3.43Å; E1107-V1109 PolarHBondContact O-N 3.4Å; V1109-L1161 HydrophobicContact CG1-CB 4.42Å; V1109-L1161 HydrophobicContact CG1-CD2 4.3Å; V1109-Y1162 CarbonylContact C-O 3.58Å; V1109-Y1162 WeakPolarHBondContact CA-O 3.5Å; V1109-F1163 HydrophobicContact CG2-CD1 3.9Å; V1109-F1163 HydrophobicContact CG2-CE1 4.46Å; V1109-F1163 HydrophobicContact CG2-CG 4.45Å; V1109-W1168 HydrophobicContact CG2-CE3 3.95Å; V1109-W1168 HydrophobicContact CG2-CH2 4.01Å; V1109-W1168 HydrophobicContact CG2-CZ3 3.45Å; V1109-W1168 VanDerWaalsContact CG2-CZ3 3.45Å |
| 1110 | M | 87.1 | Confident | 85 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.1 | 175.9 | -66.8 | -177.2 | 69.2 | 0 | 0 | 111 | V1114 F1115 T1118 Y1162 L1164 | M1110-V1114 HydrophobicContact CE-CB 4.33Å; M1110-V1114 HydrophobicContact CE-CG1 3.73Å; M1110-F1115 HydrophobicContact CB-CB 4.13Å; M1110-F1115 HydrophobicContact CB-CD2 4.47Å; M1110-F1115 HydrophobicContact SD-CD2 4.39Å; M1110-T1118 HydrophobicContact CE-CG2 4.32Å; M1110-Y1162 PolarHBondContact N-O 3.32Å; M1110-Y1162 PolarHBondContact O-N 3.46Å; M1110-L1164 HydrophobicContact CG-CD1 4.11Å; M1110-L1164 HydrophobicContact SD-CD1 3.82Å |
| 1111 | N | 83.9 | Confident | 84.9 | Confident | 81 Ų | 81 | 61 Ų | 61 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 149.1 | 169.8 | 53.8 | -38.3 | 0 | 0 | 0 | 111.5 | E1113 V1114 F1115 D1160 L1161 | N1111-E1113 PolarHBondContact O-N 3.22Å; N1111-V1114 PolarHBondContact O-N 3.32Å; N1111-V1114 VanDerWaalsContact O-N 3.16Å; N1111-V1114 WeakPolarHBondContact OD1-CB 3.4Å; N1111-V1114 VanDerWaalsContact OD1-CG2 3.25Å; N1111-V1114 WeakPolarHBondContact OD1-CG2 3.18Å; N1111-F1115 WeakPolarHBondContact O-CB 3.49Å; N1111-F1115 PolarHBondContact O-N 3.48Å; N1111-D1160 CarbonylContact C-O 3.58Å; N1111-D1160 WeakPolarHBondContact CA-O 3.26Å; N1111-L1161 HydrophobicContact CB-CD2 4.41Å |
| 1112 | A | 82.4 | Confident | 85 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.1 | -46.8 | -165 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1115 R1116 D1160 Y1162 | A1112-F1115 PolarHBondContact O-N 3.45Å; A1112-R1116 WeakPolarHBondContact O-CG 3.38Å; A1112-R1116 PolarHBondContact O-N 3.06Å; A1112-D1160 PolarHBondContact N-O 3.48Å; A1112-Y1162 HydrophobicContact CB-CD2 4.3Å; A1112-Y1162 HydrophobicContact CB-CE2 3.62Å |
| 1113 | E | 81.9 | Confident | 85.3 | Confident | 148 Ų | 148 | 54.2 Ų | 54.2 | 69% | 0.692 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.6 | -51.7 | 179 | -176.7 | 172.7 | -151.1 | 0 | 0 | 111.6 | N1111 F1115 R1116 T1117 | N1111-E1113 PolarHBondContact O-N 3.22Å; E1113-F1115 VanDerWaalsContact C-N 3.27Å; E1113-F1115 PolarHBondContact O-N 3.08Å; E1113-R1116 PolarHBondContact O-N 2.75Å; E1113-T1117 PolarHBondContact O-N 3.34Å; E1113-T1117 PolarHBondContact O-OG1 3.09Å; E1113-T1117 VanDerWaalsContact O-OG1 3.07Å |
| 1114 | V | 86.3 | Confident | 85.4 | Confident | 61 Ų | 61 | 54.3 Ų | 54.3 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 178.5 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | M1110 N1111 T1118 | M1110-V1114 HydrophobicContact CE-CB 4.33Å; M1110-V1114 HydrophobicContact CE-CG1 3.73Å; N1111-V1114 PolarHBondContact O-N 3.32Å; N1111-V1114 VanDerWaalsContact O-N 3.16Å; N1111-V1114 WeakPolarHBondContact OD1-CB 3.4Å; N1111-V1114 VanDerWaalsContact OD1-CG2 3.25Å; N1111-V1114 WeakPolarHBondContact OD1-CG2 3.18Å; V1114-T1118 WeakPolarHBondContact O-CB 3.44Å; V1114-T1118 PolarHBondContact O-N 2.91Å; V1114-T1118 PolarHBondContact O-OG1 3.2Å |
| 1115 | F | 91 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -53.4 | 173.3 | 179.7 | -96.3 | 0 | 0 | 0 | 111.4 | V1094 M1110 N1111 A1112 E1113 T1117 T1118 V1119 L1137 V1141 M1150 Y1162 L1164 | V1094-F1115 HydrophobicContact CG2-CE2 4.39Å; V1094-F1115 HydrophobicContact CG2-CZ 4.43Å; M1110-F1115 HydrophobicContact CB-CB 4.13Å; M1110-F1115 HydrophobicContact CB-CD2 4.47Å; M1110-F1115 HydrophobicContact SD-CD2 4.39Å; N1111-F1115 WeakPolarHBondContact O-CB 3.49Å; N1111-F1115 PolarHBondContact O-N 3.48Å; A1112-F1115 PolarHBondContact O-N 3.45Å; E1113-F1115 VanDerWaalsContact C-N 3.27Å; E1113-F1115 PolarHBondContact O-N 3.08Å; F1115-T1117 PolarHBondContact O-N 3.24Å; F1115-T1118 PolarHBondContact O-N 3.36Å; F1115-V1119 HydrophobicContact CD1-CG2 4.29Å; F1115-V1119 HydrophobicContact CD2-CG2 4.11Å; F1115-V1119 HydrophobicContact CE1-CG2 3.97Å; F1115-V1119 HydrophobicContact CE2-CG2 3.79Å; F1115-V1119 HydrophobicContact CG-CG2 4.35Å; F1115-V1119 HydrophobicContact CZ-CG2 3.72Å; F1115-V1119 VanDerWaalsContact O-CB 3.31Å; F1115-V1119 WeakPolarHBondContact O-CB 3.38Å; F1115-V1119 VanDerWaalsContact O-CG2 3.28Å; F1115-V1119 WeakPolarHBondContact O-CG2 3.29Å; F1115-V1119 PolarHBondContact O-N 2.95Å; F1115-L1137 HydrophobicContact CE1-CD1 4.35Å; F1115-V1141 HydrophobicContact CE1-CG2 3.72Å; F1115-V1141 HydrophobicContact CZ-CG2 3.95Å; F1115-M1150 HydrophobicContact CE2-CE 3.94Å; F1115-M1150 HydrophobicContact CZ-CE 3.86Å; F1115-M1150 HydrophobicContact CZ-SD 4.37Å; F1115-Y1162 HydrophobicContact CB-CD1 4.45Å; F1115-Y1162 HydrophobicContact CB-CD2 4.43Å; F1115-Y1162 HydrophobicContact CB-CG 4.2Å; F1115-Y1162 AromaticContact CD1-CD1 3.38Å; F1115-Y1162 HydrophobicContact CD1-CD1 3.38Å; F1115-Y1162 AromaticContact CD1-CE1 3.55Å; F1115-Y1162 HydrophobicContact CD1-CE1 3.55Å; F1115-Y1162 AromaticContact CD1-CG 3.98Å; F1115-Y1162 HydrophobicContact CD1-CG 3.98Å; F1115-Y1162 HydrophobicContact CD2-CD1 4.06Å; F1115-Y1162 HydrophobicContact CD2-CG 4.17Å; F1115-Y1162 AromaticContact CE1-CD1 3.46Å; F1115-Y1162 HydrophobicContact CE1-CD1 3.46Å; F1115-Y1162 VanDerWaalsContact CE1-CD1 3.46Å; F1115-Y1162 AromaticContact CE1-CE1 3.64Å; F1115-Y1162 HydrophobicContact CE1-CE1 3.64Å; F1115-Y1162 HydrophobicContact CE1-CG 4.42Å; F1115-Y1162 HydrophobicContact CE2-CD1 4.12Å; F1115-Y1162 AromaticContact CG-CD1 3.7Å; F1115-Y1162 HydrophobicContact CG-CD1 3.7Å; F1115-Y1162 HydrophobicContact CG-CD2 4.5Å; F1115-Y1162 HydrophobicContact CG-CE1 4.28Å; F1115-Y1162 AromaticContact CG-CG 3.84Å; F1115-Y1162 HydrophobicContact CG-CG 3.84Å; F1115-Y1162 AromaticContact CZ-CD1 3.84Å; F1115-Y1162 HydrophobicContact CZ-CD1 3.84Å; F1115-Y1162 HydrophobicContact CZ-CE1 4.41Å; F1115-L1164 HydrophobicContact CD2-CD2 4.03Å; F1115-L1164 HydrophobicContact CE2-CD2 3.75Å |
| 1116 | R | 86.9 | Confident | 86.1 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.2 | -53.3 | 179.8 | -72.7 | -175.4 | 177.9 | 126.6 | 9.3 | 111.9 | A1112 E1113 T1118 V1119 Q1120 L1137 N1138 | A1112-R1116 WeakPolarHBondContact O-CG 3.38Å; A1112-R1116 PolarHBondContact O-N 3.06Å; E1113-R1116 PolarHBondContact O-N 2.75Å; R1116-T1118 PolarHBondContact O-N 3.13Å; R1116-V1119 PolarHBondContact O-N 2.76Å; R1116-Q1120 PolarHBondContact O-N 3.32Å; R1116-L1137 HydrophobicContact CB-CD2 4.32Å; R1116-L1137 HydrophobicContact CG-CD2 3.83Å; R1116-N1138 PolarHBondContact NH2-OD1 3.15Å |
| 1117 | T | 88.9 | Confident | 86.4 | Confident | 92 Ų | 92 | 55.6 Ų | 55.6 | 56% | 0.564 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | -176.9 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | E1113 F1115 A1121 | E1113-T1117 PolarHBondContact O-N 3.34Å; E1113-T1117 PolarHBondContact O-OG1 3.09Å; E1113-T1117 VanDerWaalsContact O-OG1 3.07Å; F1115-T1117 PolarHBondContact O-N 3.24Å; T1117-A1121 WeakPolarHBondContact O-CB 3.22Å; T1117-A1121 PolarHBondContact O-N 3.29Å |
| 1118 | T | 90.7 | Very high | 86.3 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 176.5 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | L1097 M1110 V1114 F1115 R1116 Q1122 | L1097-T1118 HydrophobicContact CD1-CG2 4.15Å; L1097-T1118 HydrophobicContact CD2-CG2 3.79Å; M1110-T1118 HydrophobicContact CE-CG2 4.32Å; V1114-T1118 WeakPolarHBondContact O-CB 3.44Å; V1114-T1118 PolarHBondContact O-N 2.91Å; V1114-T1118 PolarHBondContact O-OG1 3.2Å; F1115-T1118 PolarHBondContact O-N 3.36Å; R1116-T1118 PolarHBondContact O-N 3.13Å; T1118-Q1122 HydrophobicContact CG2-CG 4.24Å; T1118-Q1122 WeakPolarHBondContact O-CB 3.41Å; T1118-Q1122 WeakPolarHBondContact O-CG 3.32Å; T1118-Q1122 PolarHBondContact O-N 3.26Å |
| 1119 | V | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -46.8 | -179.9 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | L1090 I1093 L1097 F1115 R1116 A1121 Q1122 M1123 F1131 L1137 | L1090-V1119 HydrophobicContact CD1-CB 4.46Å; L1090-V1119 HydrophobicContact CD1-CG1 3.42Å; L1090-V1119 VanDerWaalsContact CD1-CG1 3.42Å; L1090-V1119 HydrophobicContact CD1-CG2 4.15Å; I1093-V1119 HydrophobicContact CG2-CG2 4.47Å; L1097-V1119 HydrophobicContact CD1-CG2 4.39Å; F1115-V1119 HydrophobicContact CD1-CG2 4.29Å; F1115-V1119 HydrophobicContact CD2-CG2 4.11Å; F1115-V1119 HydrophobicContact CE1-CG2 3.97Å; F1115-V1119 HydrophobicContact CE2-CG2 3.79Å; F1115-V1119 HydrophobicContact CG-CG2 4.35Å; F1115-V1119 HydrophobicContact CZ-CG2 3.72Å; F1115-V1119 VanDerWaalsContact O-CB 3.31Å; F1115-V1119 WeakPolarHBondContact O-CB 3.38Å; F1115-V1119 VanDerWaalsContact O-CG2 3.28Å; F1115-V1119 WeakPolarHBondContact O-CG2 3.29Å; F1115-V1119 PolarHBondContact O-N 2.95Å; R1116-V1119 PolarHBondContact O-N 2.76Å; V1119-A1121 PolarHBondContact O-N 3.21Å; V1119-Q1122 PolarHBondContact O-N 3.33Å; V1119-M1123 HydrophobicContact CG1-CG 4.08Å; V1119-M1123 VanDerWaalsContact O-CB 3.24Å; V1119-M1123 WeakPolarHBondContact O-CB 3.38Å; V1119-M1123 VanDerWaalsContact O-CG 3.24Å; V1119-M1123 WeakPolarHBondContact O-CG 3.49Å; V1119-M1123 PolarHBondContact O-N 3.27Å; V1119-F1131 HydrophobicContact CG1-CD2 4.43Å; V1119-F1131 HydrophobicContact CG1-CE2 3.93Å; V1119-L1137 HydrophobicContact CG1-CD1 3.88Å |
| 1120 | Q | 87.2 | Confident | 85.1 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.6 | -75.8 | 176.4 | -56.4 | 0 | 0 | 111.5 | R1116 Q1124 | R1116-Q1120 PolarHBondContact O-N 3.32Å; Q1120-Q1124 WeakPolarHBondContact O-CB 3.11Å; Q1120-Q1124 PolarHBondContact O-N 2.1Å |
| 1121 | A | 87.9 | Confident | 84.5 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 51% | 0.512 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1117 V1119 K1125 | T1117-A1121 WeakPolarHBondContact O-CB 3.22Å; T1117-A1121 PolarHBondContact O-N 3.29Å; V1119-A1121 PolarHBondContact O-N 3.21Å; A1121-K1125 WeakPolarHBondContact O-CB 3.32Å; A1121-K1125 PolarHBondContact O-N 3.15Å; A1121-K1125 VanDerWaalsContact O-N 3.08Å |
| 1122 | Q | 90.4 | Very high | 83.7 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -72.9 | -37.4 | 179.7 | -67.7 | -79 | 17.3 | 0 | 0 | 112.5 | I1093 T1118 V1119 K1125 H1126 | I1093-Q1122 HydrophobicContact CD1-CB 3.71Å; I1093-Q1122 HydrophobicContact CG2-CB 4.08Å; T1118-Q1122 HydrophobicContact CG2-CG 4.24Å; T1118-Q1122 WeakPolarHBondContact O-CB 3.41Å; T1118-Q1122 WeakPolarHBondContact O-CG 3.32Å; T1118-Q1122 PolarHBondContact O-N 3.26Å; V1119-Q1122 PolarHBondContact O-N 3.33Å; Q1122-K1125 PolarHBondContact O-N 3.3Å; Q1122-H1126 WeakPolarHBondContact O-CB 3.05Å; Q1122-H1126 PolarHBondContact O-N 3.38Å; Q1122-H1126 PolarHBondContact OE1-CD2 2.96Å |
| 1123 | M | 87.8 | Confident | 83 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 174.6 | -80.7 | -74.2 | -68.9 | 0 | 0 | 111.1 | A1086 A1089 I1093 V1119 K1125 H1126 F1127 R1129 F1131 | A1086-M1123 HydrophobicContact CB-CE 4.36Å; A1089-M1123 HydrophobicContact CB-CE 4.06Å; A1089-M1123 HydrophobicContact CB-SD 3.92Å; I1093-M1123 HydrophobicContact CD1-CG 4.44Å; I1093-M1123 HydrophobicContact CD1-SD 4.42Å; I1093-M1123 HydrophobicContact CG1-CG 4.28Å; I1093-M1123 HydrophobicContact CG1-SD 3.91Å; V1119-M1123 HydrophobicContact CG1-CG 4.08Å; V1119-M1123 VanDerWaalsContact O-CB 3.24Å; V1119-M1123 WeakPolarHBondContact O-CB 3.38Å; V1119-M1123 VanDerWaalsContact O-CG 3.24Å; V1119-M1123 WeakPolarHBondContact O-CG 3.49Å; V1119-M1123 PolarHBondContact O-N 3.27Å; M1123-K1125 VanDerWaalsContact C-N 3.29Å; M1123-K1125 PolarHBondContact O-N 2.91Å; M1123-H1126 PolarHBondContact O-N 3.02Å; M1123-F1127 PolarHBondContact O-N 3.02Å; M1123-F1127 HydrophobicContact SD-CD2 4.19Å; M1123-R1129 CarbonylContact C-O 3.52Å; M1123-R1129 VanDerWaalsContact C-O 3.22Å; M1123-R1129 WeakPolarHBondContact CB-O 3.39Å; M1123-F1131 HydrophobicContact CE-CD2 4.49Å; M1123-F1131 HydrophobicContact CE-CE2 3.85Å; M1123-F1131 HydrophobicContact CE-CZ 3.95Å; M1123-F1131 HydrophobicContact CG-CE2 3.94Å; M1123-F1131 HydrophobicContact SD-CE2 4.28Å |
| 1124 | Q | 85 | Confident | 82.3 | Confident | 96 Ų | 96 | 66 Ų | 66 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 177.5 | -164.2 | 64.4 | 20.4 | 0 | 0 | 111.4 | Q1120 G1128 R1129 S1130 | Q1120-Q1124 WeakPolarHBondContact O-CB 3.11Å; Q1120-Q1124 PolarHBondContact O-N 2.1Å; Q1124-G1128 PolarHBondContact NE2-O 3.11Å; Q1124-G1128 WeakPolarHBondContact O-CA 3.27Å; Q1124-G1128 PolarHBondContact O-N 2.81Å; Q1124-G1128 VanDerWaalsContact O-N 3.15Å; Q1124-R1129 PolarHBondContact N-O 3.28Å; Q1124-S1130 VanDerWaalsContact OE1-N 3.14Å |
| 1125 | K | 87.7 | Confident | 81.3 | Confident | 159 Ų | 159 | 69.7 Ų | 69.7 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.2 | -38.6 | 179.8 | -179.4 | 177.3 | -179.9 | 176.9 | 0 | 114.3 | A1121 Q1122 M1123 | A1121-K1125 WeakPolarHBondContact O-CB 3.32Å; A1121-K1125 PolarHBondContact O-N 3.15Å; A1121-K1125 VanDerWaalsContact O-N 3.08Å; Q1122-K1125 PolarHBondContact O-N 3.3Å; M1123-K1125 VanDerWaalsContact C-N 3.29Å; M1123-K1125 PolarHBondContact O-N 2.91Å |
| 1126 | H | 86.9 | Confident | 80.4 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -99 | -24.8 | -172.9 | -83.7 | -64.5 | 0 | 0 | 0 | 114.7 | I1093 K1096 Q1122 M1123 | I1093-H1126 HydrophobicContact CD1-CB 4.37Å; K1096-H1126 PolarHBondContact NZ-CE1 3.2Å; K1096-H1126 PolarHBondContact NZ-NE2 2.69Å; Q1122-H1126 WeakPolarHBondContact O-CB 3.05Å; Q1122-H1126 PolarHBondContact O-N 3.38Å; Q1122-H1126 PolarHBondContact OE1-CD2 2.96Å; M1123-H1126 PolarHBondContact O-N 3.02Å |
| 1127 | F | 82.2 | Confident | 80.2 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -126.9 | 3.3 | -175.5 | -61.2 | -80.1 | 0 | 0 | 0 | 114 | A1089 E1092 I1093 M1123 R1129 | A1089-F1127 HydrophobicContact CB-CD1 4.03Å; A1089-F1127 HydrophobicContact CB-CD2 3.75Å; A1089-F1127 HydrophobicContact CB-CE1 4.01Å; A1089-F1127 HydrophobicContact CB-CE2 3.73Å; A1089-F1127 HydrophobicContact CB-CG 3.89Å; A1089-F1127 HydrophobicContact CB-CZ 3.87Å; E1092-F1127 HydrophobicContact CB-CZ 4.47Å; I1093-F1127 HydrophobicContact CD1-CD2 4.28Å; I1093-F1127 HydrophobicContact CD1-CE2 3.94Å; I1093-F1127 HydrophobicContact CG1-CE2 3.98Å; M1123-F1127 PolarHBondContact O-N 3.02Å; M1123-F1127 HydrophobicContact SD-CD2 4.19Å; F1127-R1129 HydrophobicContact CB-CG 4.05Å; F1127-R1129 WeakPolarHBondContact O-CG 3.38Å; F1127-R1129 PolarHBondContact O-N 3Å |
| 1128 | G | 75.5 | Confident | 79.7 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 69.4 | 8.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1124 | Q1124-G1128 PolarHBondContact NE2-O 3.11Å; Q1124-G1128 WeakPolarHBondContact O-CA 3.27Å; Q1124-G1128 PolarHBondContact O-N 2.81Å; Q1124-G1128 VanDerWaalsContact O-N 3.15Å |
| 1129 | R | 74 | Confident | 79 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | trans | -149.1 | 147.1 | -169.6 | 64 | -157 | 175.9 | 147.2 | 6.1 | 111.6 | S1085 M1123 Q1124 F1127 | S1085-R1129 PolarHBondContact O-NH2 3.05Å; S1085-R1129 PolarHBondContact OG-NH1 2.98Å; S1085-R1129 PolarHBondContact OG-NH2 2.79Å; M1123-R1129 CarbonylContact C-O 3.52Å; M1123-R1129 VanDerWaalsContact C-O 3.22Å; M1123-R1129 WeakPolarHBondContact CB-O 3.39Å; Q1124-R1129 PolarHBondContact N-O 3.28Å; F1127-R1129 HydrophobicContact CB-CG 4.05Å; F1127-R1129 WeakPolarHBondContact O-CG 3.38Å; F1127-R1129 PolarHBondContact O-N 3Å | ||
| 1130 | S | 72.2 | Confident | 78.6 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | trans | -116.9 | 171.1 | 177.9 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | Q1124 | Q1124-S1130 VanDerWaalsContact OE1-N 3.14Š| ||
| 1131 | F | 74.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | trans | -71.1 | 140 | 167.3 | -65.3 | -80.2 | 0 | 0 | 0 | 110 | A1086 Y1087 L1090 V1119 M1123 D1133 E1136 L1137 A1140 | A1086-F1131 HydrophobicContact CB-CE1 4.16Å; Y1087-F1131 HydrophobicContact CD1-CE1 4.4Å; L1090-F1131 HydrophobicContact CB-CZ 4.06Å; L1090-F1131 HydrophobicContact CD1-CE2 4.19Å; L1090-F1131 HydrophobicContact CD1-CZ 4.29Å; L1090-F1131 HydrophobicContact CD2-CE2 4.48Å; L1090-F1131 HydrophobicContact CD2-CZ 3.95Å; L1090-F1131 HydrophobicContact CG-CZ 4.32Å; V1119-F1131 HydrophobicContact CG1-CD2 4.43Å; V1119-F1131 HydrophobicContact CG1-CE2 3.93Å; M1123-F1131 HydrophobicContact CE-CD2 4.49Å; M1123-F1131 HydrophobicContact CE-CE2 3.85Å; M1123-F1131 HydrophobicContact CE-CZ 3.95Å; M1123-F1131 HydrophobicContact CG-CE2 3.94Å; M1123-F1131 HydrophobicContact SD-CE2 4.28Å; F1131-D1133 VanDerWaalsContact C-N 3.33Å; F1131-D1133 PolarHBondContact O-N 3.38Å; F1131-E1136 HydrophobicContact CD1-CB 4.25Å; F1131-E1136 HydrophobicContact CD1-CG 3.92Å; F1131-E1136 WeakPolarHBondContact CD1-OE1 3.28Å; F1131-L1137 HydrophobicContact CB-CB 4.26Å; F1131-L1137 HydrophobicContact CD1-CB 4.33Å; F1131-L1137 HydrophobicContact CD2-CB 4.11Å; F1131-L1137 HydrophobicContact CD2-CD1 3.89Å; F1131-L1137 HydrophobicContact CD2-CG 4.43Å; F1131-L1137 HydrophobicContact CE2-CD1 3.67Å; F1131-L1137 HydrophobicContact CG-CB 3.95Å; F1131-L1137 HydrophobicContact CG-CD1 4.5Å; F1131-L1137 HydrophobicContact CZ-CD1 4.11Å; F1131-A1140 HydrophobicContact CE1-CB 3.8Å; F1131-A1140 HydrophobicContact CZ-CB 4.11Å | ||
| 1132 | R | 67.8 | Low | 78.1 | Confident | 189 Ų | 189 | 64.8 Ų | 64.8 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -65.3 | -36.8 | -178.9 | -61.2 | 178.7 | -179.2 | -166.9 | 0.6 | 111.9 | E1136 | R1132-E1136 VanDerWaalsContact CB-OE2 3.28Å; R1132-E1136 WeakPolarHBondContact CB-OE2 3.39Å; R1132-E1136 WeakPolarHBondContact CG-OE2 3.41Å; R1132-E1136 PolarHBondContact N-OE2 2.95Å |
| 1133 | D | 66.9 | Low | 77.8 | Confident | 56 Ų | 56 | 64 Ų | 64 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -150.4 | 177.6 | 175.4 | 76.8 | 5.1 | 0 | 0 | 0 | 113.3 | F1131 R1135 E1136 L1137 | F1131-D1133 VanDerWaalsContact C-N 3.33Å; F1131-D1133 PolarHBondContact O-N 3.38Å; D1133-R1135 VanDerWaalsContact C-N 3.26Å; D1133-R1135 PolarHBondContact O-N 3.41Å; D1133-R1135 WeakPolarHBondContact OD1-CA 3.48Å; D1133-R1135 WeakPolarHBondContact OD1-CB 3.48Å; D1133-R1135 PolarHBondContact OD1-N 3.27Å; D1133-R1135 IonicContact OD2-NE 3.84Å; D1133-E1136 PolarHBondContact OD1-N 3.44Å; D1133-L1137 PolarHBondContact O-N 3.1Å |
| 1134 | S | 68.8 | Low | 77.8 | Confident | 66 Ų | 66 | 64 Ų | 64 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.3 | -21.6 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 114 | N1138 | S1134-N1138 WeakPolarHBondContact O-CB 3.4Å; S1134-N1138 PolarHBondContact O-N 3.18Å; S1134-N1138 VanDerWaalsContact O-N 3.11Å; S1134-N1138 PolarHBondContact O-OD1 2.86Å |
| 1135 | R | 65.4 | Low | 77.8 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -76.8 | -42.5 | 178.6 | -70.2 | -174.6 | -115.6 | -172.3 | -11.5 | 110.7 | S809 D1133 L1137 N1138 Q1139 | S809-R1135 PolarHBondContact O-NH1 2.98Å; D1133-R1135 VanDerWaalsContact C-N 3.26Å; D1133-R1135 PolarHBondContact O-N 3.41Å; D1133-R1135 WeakPolarHBondContact OD1-CA 3.48Å; D1133-R1135 WeakPolarHBondContact OD1-CB 3.48Å; D1133-R1135 PolarHBondContact OD1-N 3.27Å; D1133-R1135 IonicContact OD2-NE 3.84Å; R1135-L1137 VanDerWaalsContact C-N 3.33Å; R1135-L1137 PolarHBondContact O-N 3.38Å; R1135-N1138 PolarHBondContact O-N 3.49Å; R1135-Q1139 WeakPolarHBondContact O-CB 3.29Å; R1135-Q1139 WeakPolarHBondContact O-CG 3.27Å; R1135-Q1139 PolarHBondContact O-N 2.91Å |
| 1136 | E | 71.8 | Confident | 77.5 | Confident | 15 Ų | 15 | 56.2 Ų | 56.2 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 175.4 | -164.1 | -162.7 | 143.7 | 0 | 0 | 111.2 | Y1087 F1131 R1132 D1133 Q1139 A1140 | Y1087-E1136 HydrophobicContact CE1-CG 4.29Å; F1131-E1136 HydrophobicContact CD1-CB 4.25Å; F1131-E1136 HydrophobicContact CD1-CG 3.92Å; F1131-E1136 WeakPolarHBondContact CD1-OE1 3.28Å; R1132-E1136 VanDerWaalsContact CB-OE2 3.28Å; R1132-E1136 WeakPolarHBondContact CB-OE2 3.39Å; R1132-E1136 WeakPolarHBondContact CG-OE2 3.41Å; R1132-E1136 PolarHBondContact N-OE2 2.95Å; D1133-E1136 PolarHBondContact OD1-N 3.44Å; E1136-Q1139 PolarHBondContact O-N 3.46Å; E1136-A1140 WeakPolarHBondContact O-CB 3.4Å; E1136-A1140 PolarHBondContact O-N 3.06Å |
| 1137 | L | 82.7 | Confident | 77.4 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 173.5 | 174.5 | 57.4 | 0 | 0 | 0 | 112.1 | L1090 F1115 R1116 V1119 F1131 D1133 R1135 Q1139 A1140 V1141 | L1090-L1137 HydrophobicContact CD1-CD1 4.43Å; L1090-L1137 HydrophobicContact CD2-CD1 4.03Å; F1115-L1137 HydrophobicContact CE1-CD1 4.35Å; R1116-L1137 HydrophobicContact CB-CD2 4.32Å; R1116-L1137 HydrophobicContact CG-CD2 3.83Å; V1119-L1137 HydrophobicContact CG1-CD1 3.88Å; F1131-L1137 HydrophobicContact CB-CB 4.26Å; F1131-L1137 HydrophobicContact CD1-CB 4.33Å; F1131-L1137 HydrophobicContact CD2-CB 4.11Å; F1131-L1137 HydrophobicContact CD2-CD1 3.89Å; F1131-L1137 HydrophobicContact CD2-CG 4.43Å; F1131-L1137 HydrophobicContact CE2-CD1 3.67Å; F1131-L1137 HydrophobicContact CG-CB 3.95Å; F1131-L1137 HydrophobicContact CG-CD1 4.5Å; F1131-L1137 HydrophobicContact CZ-CD1 4.11Å; D1133-L1137 PolarHBondContact O-N 3.1Å; R1135-L1137 VanDerWaalsContact C-N 3.33Å; R1135-L1137 PolarHBondContact O-N 3.38Å; L1137-Q1139 VanDerWaalsContact C-N 3.34Å; L1137-Q1139 PolarHBondContact O-N 3.3Å; L1137-A1140 PolarHBondContact O-N 3.39Å; L1137-V1141 HydrophobicContact CD1-CG2 4.19Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.46Å; L1137-V1141 PolarHBondContact O-N 3.01Å |
| 1138 | N | 78.8 | Confident | 77.4 | Confident | 61 Ų | 61 | 49 Ų | 49 | 33% | 0.326 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.6 | -41 | 176.1 | -74.3 | 4.4 | 0 | 0 | 0 | 111.4 | R1116 S1134 R1135 V1141 V1142 | R1116-N1138 PolarHBondContact NH2-OD1 3.15Å; S1134-N1138 WeakPolarHBondContact O-CB 3.4Å; S1134-N1138 PolarHBondContact O-N 3.18Å; S1134-N1138 VanDerWaalsContact O-N 3.11Å; S1134-N1138 PolarHBondContact O-OD1 2.86Å; R1135-N1138 PolarHBondContact O-N 3.49Å; N1138-V1141 PolarHBondContact O-N 2.82Å; N1138-V1142 WeakPolarHBondContact O-CG2 3.43Å; N1138-V1142 PolarHBondContact O-N 2.91Å |
| 1139 | Q | 74.2 | Confident | 78 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.3 | -73.3 | 173.7 | -23.2 | 0 | 0 | 111.8 | Y1087 R1135 E1136 L1137 V1142 F1143 | Y1087-Q1139 VanDerWaalsContact OH-CB 3.27Å; Y1087-Q1139 WeakPolarHBondContact OH-CB 3.21Å; R1135-Q1139 WeakPolarHBondContact O-CB 3.29Å; R1135-Q1139 WeakPolarHBondContact O-CG 3.27Å; R1135-Q1139 PolarHBondContact O-N 2.91Å; E1136-Q1139 PolarHBondContact O-N 3.46Å; L1137-Q1139 VanDerWaalsContact C-N 3.34Å; L1137-Q1139 PolarHBondContact O-N 3.3Å; Q1139-V1142 PolarHBondContact O-N 3.48Å; Q1139-F1143 PolarHBondContact O-N 3.04Å |
| 1140 | A | 82.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1087 L1090 F1131 E1136 L1137 F1143 L1144 | Y1087-A1140 HydrophobicContact CD1-CB 3.54Å; Y1087-A1140 HydrophobicContact CD2-CB 4.16Å; Y1087-A1140 HydrophobicContact CE1-CB 3.73Å; Y1087-A1140 HydrophobicContact CE2-CB 4.31Å; Y1087-A1140 HydrophobicContact CG-CB 3.78Å; L1090-A1140 HydrophobicContact CD2-CB 3.6Å; F1131-A1140 HydrophobicContact CE1-CB 3.8Å; F1131-A1140 HydrophobicContact CZ-CB 4.11Å; E1136-A1140 WeakPolarHBondContact O-CB 3.4Å; E1136-A1140 PolarHBondContact O-N 3.06Å; L1137-A1140 PolarHBondContact O-N 3.39Å; A1140-F1143 WeakPolarHBondContact O-CB 3.49Å; A1140-F1143 PolarHBondContact O-N 2.98Å; A1140-L1144 WeakPolarHBondContact O-CG 3.49Å; A1140-L1144 PolarHBondContact O-N 2.96Å |
| 1141 | V | 85.7 | Confident | 79.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | L1090 F1115 L1137 N1138 F1143 L1144 H1145 M1150 H1152 Y1162 | L1090-V1141 HydrophobicContact CD2-CG2 4.26Å; F1115-V1141 HydrophobicContact CE1-CG2 3.72Å; F1115-V1141 HydrophobicContact CZ-CG2 3.95Å; L1137-V1141 HydrophobicContact CD1-CG2 4.19Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.46Å; L1137-V1141 PolarHBondContact O-N 3.01Å; N1138-V1141 PolarHBondContact O-N 2.82Å; V1141-F1143 VanDerWaalsContact C-N 3.34Å; V1141-F1143 PolarHBondContact O-N 3.01Å; V1141-L1144 PolarHBondContact O-N 3.15Å; V1141-H1145 WeakPolarHBondContact O-CB 3.49Å; V1141-H1145 PolarHBondContact O-N 3.32Å; V1141-M1150 HydrophobicContact CG1-CE 4.11Å; V1141-M1150 HydrophobicContact CG1-SD 4.22Å; V1141-M1150 HydrophobicContact CG2-SD 4.4Å; V1141-H1152 HydrophobicContact CG1-CB 3.71Å; V1141-Y1162 HydrophobicContact CG1-CD1 4.21Å; V1141-Y1162 HydrophobicContact CG1-CE1 3.97Å; V1141-Y1162 HydrophobicContact CG2-CE1 4.19Å |
| 1142 | V | 80.1 | Confident | 80.1 | Confident | 81 Ų | 81 | 39.8 Ų | 39.8 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -43 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | N1138 Q1139 L1144 H1145 E1146 | N1138-V1142 WeakPolarHBondContact O-CG2 3.43Å; N1138-V1142 PolarHBondContact O-N 2.91Å; Q1139-V1142 PolarHBondContact O-N 3.48Å; V1142-L1144 PolarHBondContact O-N 3.09Å; V1142-H1145 WeakPolarHBondContact O-CB 3.47Å; V1142-H1145 PolarHBondContact O-N 3.05Å; V1142-E1146 PolarHBondContact O-N 3.03Å |
| 1143 | F | 83.5 | Confident | 80.6 | Confident | 19 Ų | 19 | 32 Ų | 32 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 173.9 | 173.9 | -93.8 | 0 | 0 | 0 | 112.4 | Y854 V1083 Y1087 Q1139 A1140 V1141 N1147 | Y854-F1143 HydrophobicContact CD1-CE1 4.48Å; Y854-F1143 HydrophobicContact CD1-CE2 4.37Å; Y854-F1143 AromaticContact CD1-CZ 3.61Å; Y854-F1143 HydrophobicContact CD1-CZ 3.61Å; Y854-F1143 HydrophobicContact CD2-CE1 4.38Å; Y854-F1143 HydrophobicContact CD2-CZ 4Å; Y854-F1143 HydrophobicContact CE1-CE1 4.17Å; Y854-F1143 AromaticContact CE1-CZ 3.66Å; Y854-F1143 HydrophobicContact CE1-CZ 3.66Å; Y854-F1143 HydrophobicContact CE2-CE1 4.09Å; Y854-F1143 HydrophobicContact CE2-CZ 4.08Å; Y854-F1143 AromaticContact CG-CZ 3.77Å; Y854-F1143 HydrophobicContact CG-CZ 3.77Å; Y854-F1143 AromaticContact CZ-CE1 3.97Å; Y854-F1143 AromaticContact CZ-CZ 3.91Å; V1083-F1143 HydrophobicContact CG1-CE1 4.14Å; V1083-F1143 HydrophobicContact CG1-CE2 4.05Å; V1083-F1143 HydrophobicContact CG1-CZ 3.74Å; V1083-F1143 HydrophobicContact CG2-CE2 4.01Å; V1083-F1143 HydrophobicContact CG2-CZ 4.1Å; Y1087-F1143 HydrophobicContact CD2-CB 3.97Å; Y1087-F1143 HydrophobicContact CD2-CD1 4.04Å; Y1087-F1143 AromaticContact CD2-CG 3.95Å; Y1087-F1143 HydrophobicContact CD2-CG 3.95Å; Y1087-F1143 HydrophobicContact CE2-CB 4.28Å; Q1139-F1143 PolarHBondContact O-N 3.04Å; A1140-F1143 WeakPolarHBondContact O-CB 3.49Å; A1140-F1143 PolarHBondContact O-N 2.98Å; V1141-F1143 VanDerWaalsContact C-N 3.34Å; V1141-F1143 PolarHBondContact O-N 3.01Å; F1143-N1147 PolarHBondContact O-N 2.79Å; F1143-N1147 PolarHBondContact O-ND2 2.67Å |
| 1144 | L | 87.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.6 | -30.4 | 176.1 | -67.9 | -176.3 | 0 | 0 | 0 | 113.1 | L1090 E1091 V1094 A1140 V1141 V1142 G1148 V1149 M1150 | L1090-L1144 HydrophobicContact CB-CD1 4.03Å; L1090-L1144 HydrophobicContact CD2-CD1 3.66Å; L1090-L1144 HydrophobicContact CG-CD1 3.57Å; E1091-L1144 HydrophobicContact CB-CD2 3.82Å; E1091-L1144 HydrophobicContact CG-CD2 4.01Å; V1094-L1144 HydrophobicContact CG2-CD1 4.25Å; A1140-L1144 WeakPolarHBondContact O-CG 3.49Å; A1140-L1144 PolarHBondContact O-N 2.96Å; V1141-L1144 PolarHBondContact O-N 3.15Å; V1142-L1144 PolarHBondContact O-N 3.09Å; L1144-G1148 PolarHBondContact O-N 2.78Å; L1144-G1148 VanDerWaalsContact O-N 3.12Å; L1144-V1149 HydrophobicContact CB-CB 4.14Å; L1144-V1149 HydrophobicContact CD2-CB 4.11Å; L1144-V1149 HydrophobicContact CD2-CG1 4.29Å; L1144-V1149 HydrophobicContact CD2-CG2 3.95Å; L1144-V1149 PolarHBondContact O-N 3.09Å; L1144-M1150 HydrophobicContact CB-CG 3.9Å; L1144-M1150 HydrophobicContact CB-SD 4.18Å; L1144-M1150 HydrophobicContact CD1-SD 4.21Å |
| 1145 | H | 86.4 | Confident | 80.4 | Confident | 39 Ų | 39 | 33 Ų | 33 | 18% | 0.181 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.8 | -47.9 | 172.7 | 168.5 | 75.3 | 0 | 0 | 0 | 112.2 | V1141 V1142 N1147 G1148 M1150 L1151 H1152 Y1153 | V1141-H1145 WeakPolarHBondContact O-CB 3.49Å; V1141-H1145 PolarHBondContact O-N 3.32Å; V1142-H1145 WeakPolarHBondContact O-CB 3.47Å; V1142-H1145 PolarHBondContact O-N 3.05Å; H1145-N1147 VanDerWaalsContact C-N 3.28Å; H1145-N1147 PolarHBondContact O-N 3.42Å; H1145-G1148 PolarHBondContact O-N 3.05Å; H1145-M1150 WeakPolarHBondContact CA-O 3.49Å; H1145-L1151 WeakPolarHBondContact ND1-CD2 3.1Å; H1145-H1152 PolarHBondContact ND1-O 3.19Å; H1145-Y1153 AromaticContact CE1-CE1 3.92Å |
| 1146 | E | 81 | Confident | 80 | Confident | 53 Ų | 53 | 28.8 Ų | 28.8 | 25% | 0.248 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 178.1 | -75.3 | -148.1 | 124.4 | 0 | 0 | 111.9 | K858 S957 R959 V1142 G1148 | K858-E1146 WeakPolarHBondContact CD-O 3.4Å; K858-E1146 WeakPolarHBondContact CE-O 3.23Å; S957-E1146 PolarHBondContact OG-O 2.77Å; R959-E1146 HydrophobicContact CB-CB 4.02Å; V1142-E1146 PolarHBondContact O-N 3.03Å; E1146-G1148 VanDerWaalsContact C-N 3.27Å; E1146-G1148 PolarHBondContact O-N 3.31Å |
| 1147 | N | 84.2 | Confident | 79.5 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -6 | 176.8 | -70.5 | -71.4 | 0 | 0 | 0 | 114 | F1143 H1145 V1149 | F1143-N1147 PolarHBondContact O-N 2.79Å; F1143-N1147 PolarHBondContact O-ND2 2.67Å; H1145-N1147 VanDerWaalsContact C-N 3.28Å; H1145-N1147 PolarHBondContact O-N 3.42Å; N1147-V1149 HydrophobicContact CB-CG2 4.44Å; N1147-V1149 PolarHBondContact O-N 3.2Å |
| 1148 | G | 83 | Confident | 78.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 26.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | K858 R938 L1144 H1145 E1146 | K858-G1148 VanDerWaalsContact CE-CA 3.48Å; R938-G1148 WeakPolarHBondContact CD-O 3.41Å; R938-G1148 VanDerWaalsContact CZ-O 3.3Å; R938-G1148 PolarHBondContact NE-O 3.38Å; R938-G1148 PolarHBondContact NH2-O 3.2Å; L1144-G1148 PolarHBondContact O-N 2.78Å; L1144-G1148 VanDerWaalsContact O-N 3.12Å; H1145-G1148 PolarHBondContact O-N 3.05Å; E1146-G1148 VanDerWaalsContact C-N 3.27Å; E1146-G1148 PolarHBondContact O-N 3.31Å |
| 1149 | V | 87.2 | Confident | 78.6 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -70 | -49.8 | 172.6 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | R938 E1091 V1094 V1095 L1144 N1147 P1166 | R938-V1149 PolarHBondContact NH2-O 2.62Å; E1091-V1149 HydrophobicContact CG-CB 4.38Å; E1091-V1149 HydrophobicContact CG-CG1 3.71Å; E1091-V1149 HydrophobicContact CG-CG2 3.8Å; E1091-V1149 WeakPolarHBondContact OE1-CG2 3.39Å; V1094-V1149 HydrophobicContact CG1-CG1 4.36Å; V1095-V1149 HydrophobicContact CG2-CG1 4.24Å; L1144-V1149 HydrophobicContact CB-CB 4.14Å; L1144-V1149 HydrophobicContact CD2-CB 4.11Å; L1144-V1149 HydrophobicContact CD2-CG1 4.29Å; L1144-V1149 HydrophobicContact CD2-CG2 3.95Å; L1144-V1149 PolarHBondContact O-N 3.09Å; N1147-V1149 HydrophobicContact CB-CG2 4.44Å; N1147-V1149 PolarHBondContact O-N 3.2Å; V1149-P1166 WeakPolarHBondContact O-CD 3.43Å; V1149-P1166 WeakPolarHBondContact O-CG 3.32Å |
| 1150 | M | 91.2 | Very high | 78.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -129.8 | 177.8 | 173.5 | 63.9 | -175.3 | -66 | 0 | 0 | 109 | V1094 F1115 V1141 L1144 H1145 Y1162 F1163 L1164 | V1094-M1150 HydrophobicContact CG1-CB 3.87Å; V1094-M1150 HydrophobicContact CG1-CG 4.39Å; V1094-M1150 HydrophobicContact CG1-SD 4.02Å; V1094-M1150 HydrophobicContact CG2-SD 4.02Å; F1115-M1150 HydrophobicContact CE2-CE 3.94Å; F1115-M1150 HydrophobicContact CZ-CE 3.86Å; F1115-M1150 HydrophobicContact CZ-SD 4.37Å; V1141-M1150 HydrophobicContact CG1-CE 4.11Å; V1141-M1150 HydrophobicContact CG1-SD 4.22Å; V1141-M1150 HydrophobicContact CG2-SD 4.4Å; L1144-M1150 HydrophobicContact CB-CG 3.9Å; L1144-M1150 HydrophobicContact CB-SD 4.18Å; L1144-M1150 HydrophobicContact CD1-SD 4.21Å; H1145-M1150 WeakPolarHBondContact CA-O 3.49Å; M1150-Y1162 HydrophobicContact CE-CD1 3.92Å; M1150-F1163 CarbonylContact C-O 3.53Å; M1150-F1163 WeakPolarHBondContact CA-O 3.48Å; M1150-F1163 VanDerWaalsContact CB-O 3.29Å; M1150-F1163 WeakPolarHBondContact CB-O 3.49Å; M1150-L1164 HydrophobicContact CE-CD2 4.4Å |
| 1151 | L | 87.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.3 | 165.9 | -59.7 | 167.1 | 0 | 0 | 0 | 109.7 | F955 H1145 Y1153 F1163 P1166 L1169 | F955-L1151 HydrophobicContact CD1-CD1 3.86Å; F955-L1151 HydrophobicContact CE1-CD1 3.74Å; H1145-L1151 WeakPolarHBondContact ND1-CD2 3.1Å; L1151-Y1153 HydrophobicContact CB-CE2 4.04Å; L1151-F1163 HydrophobicContact CB-CB 4.11Å; L1151-F1163 PolarHBondContact N-O 3.23Å; L1151-F1163 WeakPolarHBondContact O-CA 3.42Å; L1151-F1163 WeakPolarHBondContact O-CB 3.36Å; L1151-F1163 WeakPolarHBondContact O-CD2 3.5Å; L1151-F1163 PolarHBondContact O-N 2.76Å; L1151-P1166 HydrophobicContact CD1-CB 3.88Å; L1151-P1166 HydrophobicContact CG-CB 4.06Å; L1151-P1166 HydrophobicContact CG-CG 4.18Å; L1151-L1169 HydrophobicContact CD1-CD2 3.85Å |
| 1152 | H | 86 | Confident | 78.7 | Confident | 22 Ų | 22 | 31.6 Ų | 31.6 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 143.5 | 171.8 | 168.7 | 58.4 | 0 | 0 | 0 | 105.5 | V1141 H1145 K1159 L1161 Y1162 | V1141-H1152 HydrophobicContact CG1-CB 3.71Å; H1145-H1152 PolarHBondContact ND1-O 3.19Å; H1152-K1159 PolarHBondContact CE1-O 2.98Å; H1152-K1159 VanDerWaalsContact CE1-O 3.26Å; H1152-L1161 PolarHBondContact ND1-O 3.1Å; H1152-Y1162 HydrophobicContact CB-CD1 4.37Å; H1152-Y1162 AromaticContact CE1-CE2 3.69Å; H1152-Y1162 AromaticContact CE1-CZ 3.59Å; H1152-Y1162 AromaticContact ND1-CD2 3.95Å; H1152-Y1162 AromaticContact ND1-CE1 4Å; H1152-Y1162 AromaticContact ND1-CE2 3.71Å; H1152-Y1162 AromaticContact ND1-CZ 3.74Å; H1152-Y1162 AromaticContact NE2-CZ 3.9Å |
| 1153 | Y | 77.9 | Confident | 79.1 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | trans | -131.8 | 117.4 | -173.2 | -59.7 | -87.3 | 0 | 0 | 0 | 109.4 | Y954 H1145 L1151 D1155 L1158 K1159 F1163 L1169 K1220 F1221 | Y954-Y1153 PolarHBondContact O-OH 3.34Å; H1145-Y1153 AromaticContact CE1-CE1 3.92Å; L1151-Y1153 HydrophobicContact CB-CE2 4.04Å; Y1153-D1155 PolarHBondContact O-N 3.06Å; Y1153-L1158 HydrophobicContact CD2-CD1 4.36Å; Y1153-K1159 WeakPolarHBondContact O-CA 3.22Å; Y1153-F1163 HydrophobicContact CD2-CE2 4.08Å; Y1153-F1163 HydrophobicContact CE2-CE2 4.27Å; Y1153-L1169 HydrophobicContact CE2-CD2 4.32Å; Y1153-K1220 VanDerWaalsContact CB-NZ 3.3Å; Y1153-F1221 HydrophobicContact CE1-CZ 4.44Å; Y1153-F1221 HydrophobicContact CE2-CE2 4.34Å; Y1153-F1221 AromaticContact CE2-CZ 3.8Å; Y1153-F1221 HydrophobicContact CE2-CZ 3.8Å; Y1153-F1221 AromaticContact CZ-CZ 3.65Å; Y1153-F1221 WeakPolarHBondContact OH-CZ 3.43Å | ||
| 1154 | D | 68.4 | Low | 79.4 | Confident | 118 Ų | 118 | 27 Ų | 27 | 63% | 0.631 | 14% | 0.139 | S | C | * | . | trans | -75.1 | 102.7 | 175 | -158.6 | 20 | 0 | 0 | 0 | 108.6 | ||||
| 1155 | D | 64.8 | Low | 79.5 | Confident | 26 Ų | 26 | 28.3 Ų | 28.3 | 14% | 0.139 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -174.5 | 133.7 | -169.4 | 175.8 | -70 | 0 | 0 | 0 | 109.3 | Y1153 T1157 L1158 K1159 K1220 | Y1153-D1155 PolarHBondContact O-N 3.06Å; D1155-T1157 PolarHBondContact O-N 3.2Å; D1155-T1157 WeakPolarHBondContact OD1-CB 3.33Å; D1155-T1157 PolarHBondContact OD1-N 3.23Å; D1155-T1157 PolarHBondContact OD1-OG1 3.2Å; D1155-L1158 PolarHBondContact O-N 3.22Å; D1155-K1159 WeakPolarHBondContact O-CB 3.36Å; D1155-K1159 VanDerWaalsContact O-CG 3.31Å; D1155-K1159 WeakPolarHBondContact O-CG 3.35Å; D1155-K1159 PolarHBondContact O-N 2.8Å; D1155-K1220 IonicContact OD1-NZ 3.42Å; D1155-K1220 WeakPolarHBondContact OD2-CD 3.43Å; D1155-K1220 WeakPolarHBondContact OD2-CE 3.49Å; D1155-K1220 IonicContact OD2-NZ 2.68Å; D1155-K1220 PolarHBondContact OD2-NZ 2.84Å |
| 1156 | V | 55.3 | Low | 79.5 | Confident | 48 Ų | 48 | 26.6 Ų | 26.6 | 29% | 0.291 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.1 | -42.5 | -178.3 | -169.1 | 0 | 0 | 0 | 0 | 114.2 | E1839 E1840 | V1156-E1839 HydrophobicContact CG2-CB 3.64Å; V1156-E1839 HydrophobicContact CG2-CG 3.67Å; V1156-E1839 WeakPolarHBondContact CG2-OE2 3.49Å; V1156-E1839 PolarHBondContact N-OE1 3.2Å; V1156-E1839 VanDerWaalsContact N-OE1 3.11Å; V1156-E1840 HydrophobicContact CB-CB 4.4Å; V1156-E1840 HydrophobicContact CG2-CB 3.93Å; V1156-E1840 VanDerWaalsContact CG2-N 3.34Å; V1156-E1840 VanDerWaalsContact CG2-O 3.29Å; V1156-E1840 WeakPolarHBondContact CG2-O 3.3Å |
| 1157 | T | 61.7 | Low | 79.8 | Confident | 28 Ų | 28 | 25.1 Ų | 25.1 | 17% | 0.172 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -18.5 | -170.3 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | D1155 N1216 | D1155-T1157 PolarHBondContact O-N 3.2Å; D1155-T1157 WeakPolarHBondContact OD1-CB 3.33Å; D1155-T1157 PolarHBondContact OD1-N 3.23Å; D1155-T1157 PolarHBondContact OD1-OG1 3.2Å; T1157-N1216 PolarHBondContact O-ND2 3.13Å; T1157-N1216 VanDerWaalsContact O-ND2 3.14Å |
| 1158 | L | 69.3 | Low | 79.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133 | -7.3 | -173.7 | -65.7 | -170.1 | 0 | 0 | 0 | 115.6 | Y1153 D1155 D1160 L1161 Y1213 N1216 L1217 K1220 F1221 | Y1153-L1158 HydrophobicContact CD2-CD1 4.36Å; D1155-L1158 PolarHBondContact O-N 3.22Å; L1158-D1160 PolarHBondContact O-N 3.01Å; L1158-D1160 VanDerWaalsContact O-N 3.14Å; L1158-L1161 WeakPolarHBondContact O-CB 3.33Å; L1158-L1161 PolarHBondContact O-N 2.73Å; L1158-Y1213 HydrophobicContact CD2-CD2 3.9Å; L1158-Y1213 HydrophobicContact CD2-CE2 3.78Å; L1158-N1216 HydrophobicContact CD2-CB 4.28Å; L1158-L1217 HydrophobicContact CD1-CD1 4.05Å; L1158-L1217 HydrophobicContact CD2-CD1 4.35Å; L1158-K1220 HydrophobicContact CD1-CD 3.56Å; L1158-K1220 HydrophobicContact CG-CD 4.08Å; L1158-F1221 HydrophobicContact CD1-CE2 4.13Å |
| 1159 | K | 73.8 | Confident | 79.7 | Confident | 53 Ų | 53 | 27.2 Ų | 27.2 | 23% | 0.23 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20 | -174.4 | 62 | -171.2 | 171.7 | -163.9 | 0 | 114.8 | H1152 Y1153 D1155 L1161 E1839 | H1152-K1159 PolarHBondContact CE1-O 2.98Å; H1152-K1159 VanDerWaalsContact CE1-O 3.26Å; Y1153-K1159 WeakPolarHBondContact O-CA 3.22Å; D1155-K1159 WeakPolarHBondContact O-CB 3.36Å; D1155-K1159 VanDerWaalsContact O-CG 3.31Å; D1155-K1159 WeakPolarHBondContact O-CG 3.35Å; D1155-K1159 PolarHBondContact O-N 2.8Å; K1159-L1161 PolarHBondContact O-N 3.21Å; K1159-E1839 IonicContact NZ-OE1 3.91Å; K1159-E1839 PolarHBondContact NZ-OE1 3.47Å; K1159-E1839 IonicContact NZ-OE2 2.65Å; K1159-E1839 PolarHBondContact NZ-OE2 3.34Å |
| 1160 | D | 75.4 | Confident | 79.3 | Confident | 105 Ų | 105 | 27.3 Ų | 27.3 | 56% | 0.561 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 1.1 | 172.3 | -69.2 | -45.2 | 0 | 0 | 0 | 113.3 | N1111 A1112 L1158 | N1111-D1160 CarbonylContact C-O 3.58Å; N1111-D1160 WeakPolarHBondContact CA-O 3.26Å; A1112-D1160 PolarHBondContact N-O 3.48Å; L1158-D1160 PolarHBondContact O-N 3.01Å; L1158-D1160 VanDerWaalsContact O-N 3.14Å |
| 1161 | L | 81.4 | Confident | 78.6 | Confident | 36 Ų | 36 | 28 Ų | 28 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.6 | -170.8 | -60.7 | 172.6 | 0 | 0 | 0 | 114.1 | V1109 N1111 H1152 L1158 K1159 F1163 Y1213 | V1109-L1161 HydrophobicContact CG1-CB 4.42Å; V1109-L1161 HydrophobicContact CG1-CD2 4.3Å; N1111-L1161 HydrophobicContact CB-CD2 4.41Å; H1152-L1161 PolarHBondContact ND1-O 3.1Å; L1158-L1161 WeakPolarHBondContact O-CB 3.33Å; L1158-L1161 PolarHBondContact O-N 2.73Å; K1159-L1161 PolarHBondContact O-N 3.21Å; L1161-F1163 HydrophobicContact CB-CE2 4.43Å; L1161-Y1213 HydrophobicContact CD1-CD2 3.28Å; L1161-Y1213 HydrophobicContact CD1-CE2 3.27Å; L1161-Y1213 HydrophobicContact CD1-CG 3.97Å |
| 1162 | Y | 87.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 111.8 | -170.8 | -69.6 | -114 | 0 | 0 | 0 | 108.5 | V1109 M1110 A1112 F1115 V1141 M1150 H1152 | V1109-Y1162 CarbonylContact C-O 3.58Å; V1109-Y1162 WeakPolarHBondContact CA-O 3.5Å; M1110-Y1162 PolarHBondContact N-O 3.32Å; M1110-Y1162 PolarHBondContact O-N 3.46Å; A1112-Y1162 HydrophobicContact CB-CD2 4.3Å; A1112-Y1162 HydrophobicContact CB-CE2 3.62Å; F1115-Y1162 HydrophobicContact CB-CD1 4.45Å; F1115-Y1162 HydrophobicContact CB-CD2 4.43Å; F1115-Y1162 HydrophobicContact CB-CG 4.2Å; F1115-Y1162 AromaticContact CD1-CD1 3.38Å; F1115-Y1162 HydrophobicContact CD1-CD1 3.38Å; F1115-Y1162 AromaticContact CD1-CE1 3.55Å; F1115-Y1162 HydrophobicContact CD1-CE1 3.55Å; F1115-Y1162 AromaticContact CD1-CG 3.98Å; F1115-Y1162 HydrophobicContact CD1-CG 3.98Å; F1115-Y1162 HydrophobicContact CD2-CD1 4.06Å; F1115-Y1162 HydrophobicContact CD2-CG 4.17Å; F1115-Y1162 AromaticContact CE1-CD1 3.46Å; F1115-Y1162 HydrophobicContact CE1-CD1 3.46Å; F1115-Y1162 VanDerWaalsContact CE1-CD1 3.46Å; F1115-Y1162 AromaticContact CE1-CE1 3.64Å; F1115-Y1162 HydrophobicContact CE1-CE1 3.64Å; F1115-Y1162 HydrophobicContact CE1-CG 4.42Å; F1115-Y1162 HydrophobicContact CE2-CD1 4.12Å; F1115-Y1162 AromaticContact CG-CD1 3.7Å; F1115-Y1162 HydrophobicContact CG-CD1 3.7Å; F1115-Y1162 HydrophobicContact CG-CD2 4.5Å; F1115-Y1162 HydrophobicContact CG-CE1 4.28Å; F1115-Y1162 AromaticContact CG-CG 3.84Å; F1115-Y1162 HydrophobicContact CG-CG 3.84Å; F1115-Y1162 AromaticContact CZ-CD1 3.84Å; F1115-Y1162 HydrophobicContact CZ-CD1 3.84Å; F1115-Y1162 HydrophobicContact CZ-CE1 4.41Å; V1141-Y1162 HydrophobicContact CG1-CD1 4.21Å; V1141-Y1162 HydrophobicContact CG1-CE1 3.97Å; V1141-Y1162 HydrophobicContact CG2-CE1 4.19Å; M1150-Y1162 HydrophobicContact CE-CD1 3.92Å; H1152-Y1162 HydrophobicContact CB-CD1 4.37Å; H1152-Y1162 AromaticContact CE1-CE2 3.69Å; H1152-Y1162 AromaticContact CE1-CZ 3.59Å; H1152-Y1162 AromaticContact ND1-CD2 3.95Å; H1152-Y1162 AromaticContact ND1-CE1 4Å; H1152-Y1162 AromaticContact ND1-CE2 3.71Å; H1152-Y1162 AromaticContact ND1-CZ 3.74Å; H1152-Y1162 AromaticContact NE2-CZ 3.9Å |
| 1163 | F | 88.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 101.5 | -173.6 | -57 | -108.9 | 0 | 0 | 0 | 110 | V1109 M1150 L1151 Y1153 L1161 W1168 L1169 Y1213 L1217 | V1109-F1163 HydrophobicContact CG2-CD1 3.9Å; V1109-F1163 HydrophobicContact CG2-CE1 4.46Å; V1109-F1163 HydrophobicContact CG2-CG 4.45Å; M1150-F1163 CarbonylContact C-O 3.53Å; M1150-F1163 WeakPolarHBondContact CA-O 3.48Å; M1150-F1163 VanDerWaalsContact CB-O 3.29Å; M1150-F1163 WeakPolarHBondContact CB-O 3.49Å; L1151-F1163 HydrophobicContact CB-CB 4.11Å; L1151-F1163 PolarHBondContact N-O 3.23Å; L1151-F1163 WeakPolarHBondContact O-CA 3.42Å; L1151-F1163 WeakPolarHBondContact O-CB 3.36Å; L1151-F1163 WeakPolarHBondContact O-CD2 3.5Å; L1151-F1163 PolarHBondContact O-N 2.76Å; Y1153-F1163 HydrophobicContact CD2-CE2 4.08Å; Y1153-F1163 HydrophobicContact CE2-CE2 4.27Å; L1161-F1163 HydrophobicContact CB-CE2 4.43Å; F1163-W1168 HydrophobicContact CD1-CZ3 4.43Å; F1163-L1169 HydrophobicContact CD1-CB 4.21Å; F1163-L1169 HydrophobicContact CD1-CD1 4.32Å; F1163-L1169 HydrophobicContact CD1-CD2 3.84Å; F1163-L1169 HydrophobicContact CD1-CG 4.35Å; F1163-L1169 HydrophobicContact CE1-CD1 3.87Å; F1163-L1169 HydrophobicContact CE1-CD2 3.83Å; F1163-L1169 HydrophobicContact CE1-CG 4.31Å; F1163-L1169 HydrophobicContact CG-CD2 4.37Å; F1163-L1169 HydrophobicContact CZ-CD2 4.38Å; F1163-Y1213 WeakPolarHBondContact CE1-OH 3.31Å; F1163-Y1213 HydrophobicContact CZ-CE2 4.22Å; F1163-Y1213 VanDerWaalsContact CZ-OH 3.3Å; F1163-Y1213 WeakPolarHBondContact CZ-OH 3.38Å; F1163-L1217 HydrophobicContact CE1-CD1 4.11Å; F1163-L1217 HydrophobicContact CZ-CD1 3.83Å |
| 1164 | L | 90.6 | Very high | 77.3 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -76 | -25.3 | -173.9 | -45.9 | 179.2 | 0 | 0 | 0 | 113.5 | V1094 L1097 A1098 P1108 M1110 F1115 M1150 | V1094-L1164 HydrophobicContact CG1-CD2 4.3Å; L1097-L1164 HydrophobicContact CB-CD1 3.83Å; A1098-L1164 HydrophobicContact CB-CB 3.76Å; P1108-L1164 HydrophobicContact CB-CB 4.47Å; P1108-L1164 WeakPolarHBondContact O-CB 3.28Å; P1108-L1164 PolarHBondContact O-N 2.82Å; M1110-L1164 HydrophobicContact CG-CD1 4.11Å; M1110-L1164 HydrophobicContact SD-CD1 3.82Å; F1115-L1164 HydrophobicContact CD2-CD2 4.03Å; F1115-L1164 HydrophobicContact CE2-CD2 3.75Å; M1150-L1164 HydrophobicContact CE-CD2 4.4Å |
| 1165 | D | 88.3 | Confident | 77.5 | Confident | 26 Ų | 26 | 23.1 Ų | 23.1 | 14% | 0.139 | 12% | 0.118 | C | C | . | . | trans | -119.1 | 101.2 | 176.1 | -176.3 | -10 | 0 | 0 | 0 | 109.9 | A1098 K1102 P1108 Q1167 W1168 | A1098-D1165 HydrophobicContact CB-CB 4.5Å; K1102-D1165 IonicContact NZ-OD2 3.65Å; K1102-D1165 PolarHBondContact NZ-OD2 3.12Å; P1108-D1165 HydrophobicContact CB-CB 3.59Å; P1108-D1165 HydrophobicContact CG-CB 3.55Å; D1165-Q1167 PolarHBondContact O-N 2.89Å; D1165-Q1167 VanDerWaalsContact OD1-CB 3.32Å; D1165-Q1167 WeakPolarHBondContact OD1-CB 3.16Å; D1165-Q1167 PolarHBondContact OD1-N 3.43Å; D1165-W1168 HydrophobicContact CB-CB 4.15Å; D1165-W1168 PolarHBondContact O-N 2.98Å; D1165-W1168 PolarHBondContact OD1-N 2.59Å | ||
| 1166 | P | 87.5 | Confident | 77.7 | Confident | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -27.6 | 178.2 | -24.8 | 35 | 0 | 0 | 0 | 114.2 | W940 V1149 L1151 W1168 L1169 C1170 | W940-P1166 HydrophobicContact CH2-CB 3.76Å; W940-P1166 HydrophobicContact CZ2-CB 4.25Å; V1149-P1166 WeakPolarHBondContact O-CD 3.43Å; V1149-P1166 WeakPolarHBondContact O-CG 3.32Å; L1151-P1166 HydrophobicContact CD1-CB 3.88Å; L1151-P1166 HydrophobicContact CG-CB 4.06Å; L1151-P1166 HydrophobicContact CG-CG 4.18Å; P1166-W1168 VanDerWaalsContact C-N 3.34Å; P1166-L1169 PolarHBondContact O-N 3.3Å; P1166-C1170 PolarHBondContact O-N 3.06Å; P1166-C1170 PolarHBondContact O-SG 3.49Å |
| 1167 | Q | 85.7 | Confident | 78.3 | Confident | 22 Ų | 22 | 19.9 Ų | 19.9 | 10% | 0.103 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.7 | -34.8 | -179.9 | -175.7 | 60.7 | 76.1 | 0 | 0 | 111.4 | V915 D1165 L1169 C1170 D1171 | V915-Q1167 PolarHBondContact O-NE2 2.71Å; V915-Q1167 PolarHBondContact O-OE1 2.82Å; D1165-Q1167 PolarHBondContact O-N 2.89Å; D1165-Q1167 VanDerWaalsContact OD1-CB 3.32Å; D1165-Q1167 WeakPolarHBondContact OD1-CB 3.16Å; D1165-Q1167 PolarHBondContact OD1-N 3.43Å; Q1167-L1169 PolarHBondContact O-N 2.69Å; Q1167-C1170 PolarHBondContact O-N 2.78Å; Q1167-D1171 PolarHBondContact NE2-OD1 3.32Å; Q1167-D1171 PolarHBondContact O-N 3.43Å |
| 1168 | W | 84.3 | Confident | 78.4 | Confident | 48 Ų | 48 | 18.9 Ų | 18.9 | 18% | 0.182 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.3 | 177.8 | 86.1 | 0 | 0 | 0 | 111.6 | E1107 P1108 V1109 F1163 D1165 P1166 D1171 I1172 | E1107-W1168 HydrophobicContact CB-CH2 4.39Å; E1107-W1168 HydrophobicContact CB-CZ2 4.01Å; E1107-W1168 HydrophobicContact CG-CH2 4.24Å; E1107-W1168 HydrophobicContact CG-CZ2 3.66Å; P1108-W1168 HydrophobicContact CG-CB 3.71Å; P1108-W1168 HydrophobicContact CG-CD2 4Å; P1108-W1168 HydrophobicContact CG-CE3 4.46Å; P1108-W1168 HydrophobicContact CG-CG 3.64Å; V1109-W1168 HydrophobicContact CG2-CE3 3.95Å; V1109-W1168 HydrophobicContact CG2-CH2 4.01Å; V1109-W1168 HydrophobicContact CG2-CZ3 3.45Å; V1109-W1168 VanDerWaalsContact CG2-CZ3 3.45Å; F1163-W1168 HydrophobicContact CD1-CZ3 4.43Å; D1165-W1168 HydrophobicContact CB-CB 4.15Å; D1165-W1168 PolarHBondContact O-N 2.98Å; D1165-W1168 PolarHBondContact OD1-N 2.59Å; P1166-W1168 VanDerWaalsContact C-N 3.34Å; W1168-D1171 PolarHBondContact O-N 3.36Å; W1168-I1172 HydrophobicContact CD2-CG1 4.1Å; W1168-I1172 HydrophobicContact CE3-CG1 4.42Å; W1168-I1172 HydrophobicContact CH2-CG1 4.19Å; W1168-I1172 HydrophobicContact CZ2-CD1 4.08Å; W1168-I1172 HydrophobicContact CZ2-CG1 3.85Å; W1168-I1172 HydrophobicContact CZ3-CG1 4.45Å; W1168-I1172 VanDerWaalsContact O-CG1 3.28Å; W1168-I1172 WeakPolarHBondContact O-CG1 3.38Å; W1168-I1172 PolarHBondContact O-N 3.17Å |
| 1169 | L | 81.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.1 | 177.5 | 57.6 | 0 | 0 | 0 | 112 | F955 L1151 Y1153 F1163 P1166 Q1167 I1172 L1173 L1217 F1221 | F955-L1169 HydrophobicContact CE1-CD2 4.13Å; F955-L1169 HydrophobicContact CE1-CG 4.26Å; F955-L1169 HydrophobicContact CZ-CG 4.29Å; L1151-L1169 HydrophobicContact CD1-CD2 3.85Å; Y1153-L1169 HydrophobicContact CE2-CD2 4.32Å; F1163-L1169 HydrophobicContact CD1-CB 4.21Å; F1163-L1169 HydrophobicContact CD1-CD1 4.32Å; F1163-L1169 HydrophobicContact CD1-CD2 3.84Å; F1163-L1169 HydrophobicContact CD1-CG 4.35Å; F1163-L1169 HydrophobicContact CE1-CD1 3.87Å; F1163-L1169 HydrophobicContact CE1-CD2 3.83Å; F1163-L1169 HydrophobicContact CE1-CG 4.31Å; F1163-L1169 HydrophobicContact CG-CD2 4.37Å; F1163-L1169 HydrophobicContact CZ-CD2 4.38Å; P1166-L1169 PolarHBondContact O-N 3.3Å; Q1167-L1169 PolarHBondContact O-N 2.69Å; L1169-I1172 PolarHBondContact O-N 2.8Å; L1169-L1173 HydrophobicContact CD1-CD1 3.94Å; L1169-L1173 HydrophobicContact CD1-CG 3.98Å; L1169-L1173 HydrophobicContact CG-CD1 4.19Å; L1169-L1173 PolarHBondContact O-N 3.43Å; L1169-L1217 HydrophobicContact CD1-CD1 4.02Å; L1169-L1217 HydrophobicContact CD1-CD2 3.87Å; L1169-L1217 HydrophobicContact CD1-CG 4.44Å; L1169-F1221 HydrophobicContact CD2-CE1 4.44Å; L1169-F1221 HydrophobicContact CD2-CZ 3.96Å |
| 1170 | C | 79.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.02 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.8 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | V915 F955 P1166 Q1167 A1174 | V915-C1170 HydrophobicContact CB-CB 4.2Å; F955-C1170 VanDerWaalsContact CE1-SG 3.56Å; F955-C1170 HydrophobicContact CZ-CB 4.43Å; F955-C1170 VanDerWaalsContact CZ-SG 3.52Å; P1166-C1170 PolarHBondContact O-N 3.06Å; P1166-C1170 PolarHBondContact O-SG 3.49Å; Q1167-C1170 PolarHBondContact O-N 2.78Å; C1170-A1174 VanDerWaalsContact O-CB 3.28Å; C1170-A1174 WeakPolarHBondContact O-CB 3.22Å; C1170-A1174 PolarHBondContact O-N 2.87Å |
| 1171 | D | 76 | Confident | 75.8 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | 180 | -71 | -10.3 | 0 | 0 | 0 | 111.8 | R894 M895 Q1167 W1168 H1175 | R894-D1171 IonicContact CZ-OD1 3.72Å; R894-D1171 IonicContact CZ-OD2 3.54Å; R894-D1171 IonicContact NE-OD1 3.92Å; R894-D1171 PolarHBondContact NE-OD1 2.93Å; R894-D1171 IonicContact NE-OD2 3.96Å; R894-D1171 PolarHBondContact NE-OD2 3.41Å; R894-D1171 IonicContact NH2-OD1 2.72Å; R894-D1171 PolarHBondContact NH2-OD1 3.25Å; R894-D1171 IonicContact NH2-OD2 3.77Å; M895-D1171 HydrophobicContact SD-CB 4.13Å; Q1167-D1171 PolarHBondContact NE2-OD1 3.32Å; Q1167-D1171 PolarHBondContact O-N 3.43Å; W1168-D1171 PolarHBondContact O-N 3.36Å; D1171-H1175 PolarHBondContact O-N 2.87Å |
| 1172 | I | 75.7 | Confident | 74.5 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.2 | -52 | 175.4 | -72.7 | -71.9 | 0 | 0 | 0 | 112.1 | W1168 L1169 A1174 H1175 F1200 T1203 | W1168-I1172 HydrophobicContact CD2-CG1 4.1Å; W1168-I1172 HydrophobicContact CE3-CG1 4.42Å; W1168-I1172 HydrophobicContact CH2-CG1 4.19Å; W1168-I1172 HydrophobicContact CZ2-CD1 4.08Å; W1168-I1172 HydrophobicContact CZ2-CG1 3.85Å; W1168-I1172 HydrophobicContact CZ3-CG1 4.45Å; W1168-I1172 VanDerWaalsContact O-CG1 3.28Å; W1168-I1172 WeakPolarHBondContact O-CG1 3.38Å; W1168-I1172 PolarHBondContact O-N 3.17Å; L1169-I1172 PolarHBondContact O-N 2.8Å; I1172-A1174 VanDerWaalsContact C-N 3.27Å; I1172-A1174 PolarHBondContact O-N 2.77Å; I1172-H1175 WeakPolarHBondContact O-CB 3.31Å; I1172-H1175 PolarHBondContact O-N 3.48Å; I1172-H1175 VanDerWaalsContact O-N 3.1Å; I1172-F1200 HydrophobicContact CG2-CE1 4.03Å; I1172-T1203 HydrophobicContact CD1-CG2 4.22Å |
| 1173 | L | 75.4 | Confident | 73.2 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -34.3 | -179.6 | -70.7 | 175 | 0 | 0 | 0 | 111.7 | T951 F955 L1169 H1175 L1217 L1218 F1221 V1223 | T951-L1173 HydrophobicContact CG2-CB 3.97Å; T951-L1173 HydrophobicContact CG2-CD1 4.42Å; F955-L1173 HydrophobicContact CE2-CD1 4.43Å; F955-L1173 HydrophobicContact CZ-CD1 4.01Å; L1169-L1173 HydrophobicContact CD1-CD1 3.94Å; L1169-L1173 HydrophobicContact CD1-CG 3.98Å; L1169-L1173 HydrophobicContact CG-CD1 4.19Å; L1169-L1173 PolarHBondContact O-N 3.43Å; L1173-H1175 VanDerWaalsContact C-N 3.3Å; L1173-H1175 PolarHBondContact O-N 2.98Å; L1173-L1217 HydrophobicContact CD2-CD2 3.81Å; L1173-L1217 HydrophobicContact CD2-CG 4.21Å; L1173-L1217 HydrophobicContact CG-CD2 4.47Å; L1173-L1218 HydrophobicContact CD2-CD2 3.99Å; L1173-F1221 HydrophobicContact CD1-CD1 3.33Å; L1173-F1221 HydrophobicContact CD1-CE1 3.51Å; L1173-F1221 HydrophobicContact CD1-CG 3.95Å; L1173-F1221 HydrophobicContact CD1-CZ 4.26Å; L1173-V1223 HydrophobicContact CD2-CG2 4.38Å |
| 1174 | A | 73 | Confident | 72 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y948 C1170 I1172 V1176 I1177 T1178 | Y948-A1174 HydrophobicContact CD1-CB 4.27Å; Y948-A1174 HydrophobicContact CE1-CB 3.86Å; C1170-A1174 VanDerWaalsContact O-CB 3.28Å; C1170-A1174 WeakPolarHBondContact O-CB 3.22Å; C1170-A1174 PolarHBondContact O-N 2.87Å; I1172-A1174 VanDerWaalsContact C-N 3.27Å; I1172-A1174 PolarHBondContact O-N 2.77Å; A1174-V1176 VanDerWaalsContact C-N 3.32Å; A1174-V1176 PolarHBondContact O-N 3.06Å; A1174-I1177 PolarHBondContact O-N 2.92Å; A1174-I1177 VanDerWaalsContact O-N 3.11Å; A1174-T1178 WeakPolarHBondContact O-CG2 3.41Å; A1174-T1178 PolarHBondContact O-N 3.05Å |
| 1175 | H | 71.1 | Confident | 70.9 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 18% | 0.181 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -31.9 | -174.5 | -164.4 | 33.4 | 0 | 0 | 0 | 113.9 | M895 D1171 I1172 L1173 I1177 T1178 | M895-H1175 HydrophobicContact CE-CB 3.87Å; D1171-H1175 PolarHBondContact O-N 2.87Å; I1172-H1175 WeakPolarHBondContact O-CB 3.31Å; I1172-H1175 PolarHBondContact O-N 3.48Å; I1172-H1175 VanDerWaalsContact O-N 3.1Å; L1173-H1175 VanDerWaalsContact C-N 3.3Å; L1173-H1175 PolarHBondContact O-N 2.98Å; H1175-I1177 VanDerWaalsContact C-N 3.3Å; H1175-T1178 PolarHBondContact O-OG1 3.4Å |
| 1176 | V | 70 | Confident | 69.9 | Low | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.6 | -33 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | A1174 N1183 L1199 L1218 V1223 | A1174-V1176 VanDerWaalsContact C-N 3.32Å; A1174-V1176 PolarHBondContact O-N 3.06Å; V1176-N1183 PolarHBondContact O-ND2 3.47Å; V1176-L1199 HydrophobicContact CG1-CD1 4.46Å; V1176-L1199 HydrophobicContact CG2-CD1 4.49Å; V1176-L1218 HydrophobicContact CB-CD2 4.32Å; V1176-L1218 HydrophobicContact CG1-CD2 4.2Å; V1176-L1218 HydrophobicContact CG2-CD1 4.45Å; V1176-L1218 HydrophobicContact CG2-CD2 4.09Å; V1176-V1223 HydrophobicContact CG1-CG1 4.25Å |
| 1177 | I | 66.7 | Low | 69.1 | Low | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -88.6 | -23.1 | -175.7 | -61.9 | 175.1 | 0 | 0 | 0 | 112.5 | E947 Y948 T951 A1174 H1175 V1223 | E947-I1177 HydrophobicContact CB-CG2 3.65Å; E947-I1177 WeakPolarHBondContact O-CG2 3.49Å; Y948-I1177 HydrophobicContact CD1-CB 4.12Å; Y948-I1177 HydrophobicContact CD1-CD1 4.32Å; Y948-I1177 HydrophobicContact CD1-CG2 3.84Å; Y948-I1177 HydrophobicContact CD2-CG2 4.25Å; Y948-I1177 HydrophobicContact CE1-CB 3.95Å; Y948-I1177 HydrophobicContact CE1-CG2 3.8Å; Y948-I1177 HydrophobicContact CE2-CG2 4.2Å; Y948-I1177 HydrophobicContact CG-CG2 4.06Å; T951-I1177 HydrophobicContact CG2-CD1 3.43Å; T951-I1177 VanDerWaalsContact CG2-CD1 3.43Å; A1174-I1177 PolarHBondContact O-N 2.92Å; A1174-I1177 VanDerWaalsContact O-N 3.11Å; H1175-I1177 VanDerWaalsContact C-N 3.3Å; I1177-V1223 HydrophobicContact CD1-CG1 3.78Å; I1177-V1223 HydrophobicContact CD1-CG2 4.22Å; I1177-V1223 HydrophobicContact CG1-CG1 3.68Å |
| 1178 | T | 65.4 | Low | 68.5 | Low | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -55.7 | 141.7 | -172.6 | 35.1 | 0 | 0 | 0 | 0 | 115.1 | W891 V913 Y948 A1174 H1175 | W891-T1178 HydrophobicContact CH2-CG2 3.76Å; W891-T1178 HydrophobicContact CZ2-CG2 3.7Å; V913-T1178 HydrophobicContact CG1-CG2 3.89Å; Y948-T1178 WeakPolarHBondContact OH-CG2 3.21Å; A1174-T1178 WeakPolarHBondContact O-CG2 3.41Å; A1174-T1178 PolarHBondContact O-N 3.05Å; H1175-T1178 PolarHBondContact O-OG1 3.4Å |
| 1179 | I | 54.1 | Low | 68.2 | Low | 88 Ų | 88 | 44.8 Ų | 44.8 | 45% | 0.451 | 22% | 0.217 | S | C | . | . | trans | -23.2 | 138.3 | 178.8 | -54.2 | 173 | 0 | 0 | 0 | 114.6 | E1181 I1182 N1183 | I1179-E1181 HydrophobicContact CG2-CB 4.19Å; I1179-E1181 HydrophobicContact CG2-CG 3.98Å; I1179-E1181 PolarHBondContact O-N 2.85Å; I1179-I1182 PolarHBondContact O-N 2.99Å; I1179-N1183 PolarHBondContact O-N 2.64Å | ||
| 1180 | R | 54.7 | Low | 68.1 | Low | 155 Ų | 155 | 46.8 Ų | 46.8 | 59% | 0.585 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | -22 | 179.7 | -65.3 | -179.6 | 178.3 | 179.1 | -0.8 | 116.1 | I1182 N1183 | R1180-I1182 VanDerWaalsContact C-N 3.31Å; R1180-N1183 CarbonylContact O-C 3.49Å |
| 1181 | E | 53.5 | Low | 68.1 | Low | 174 Ų | 174 | 46.8 Ų | 46.8 | 81% | 0.813 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24.9 | 176.3 | -63.6 | 165.7 | 172.3 | 0 | 0 | 113 | I1179 | I1179-E1181 HydrophobicContact CG2-CB 4.19Å; I1179-E1181 HydrophobicContact CG2-CG 3.98Å; I1179-E1181 PolarHBondContact O-N 2.85Å |
| 1182 | I | 54.3 | Low | 68.3 | Low | 88 Ų | 88 | 54.7 Ų | 54.7 | 45% | 0.451 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -40.4 | 177.4 | -57.6 | 177.9 | 0 | 0 | 0 | 110.4 | W891 I1179 R1180 P1184 | W891-I1182 HydrophobicContact CH2-CD1 4.08Å; I1179-I1182 PolarHBondContact O-N 2.99Å; R1180-I1182 VanDerWaalsContact C-N 3.31Å; I1182-P1184 VanDerWaalsContact O-CD 3.3Å; I1182-P1184 WeakPolarHBondContact O-CD 2.99Å |
| 1183 | N | 60.2 | Low | 68.3 | Low | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -112.5 | 89.5 | 175.7 | -176.2 | 0.7 | 0 | 0 | 0 | 111.7 | V1176 I1179 R1180 F1185 L1199 | V1176-N1183 PolarHBondContact O-ND2 3.47Å; I1179-N1183 PolarHBondContact O-N 2.64Å; R1180-N1183 CarbonylContact O-C 3.49Å; N1183-F1185 VanDerWaalsContact C-N 3.28Å; N1183-F1185 PolarHBondContact O-N 2.88Å; N1183-F1185 PolarHBondContact OD1-N 2.87Å; N1183-L1199 HydrophobicContact CB-CD2 4.21Å | ||
| 1184 | P | 63.4 | Low | 68.3 | Low | 77 Ų | 77 | 57.7 Ų | 57.7 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | trans | -81.4 | -0.1 | 179.2 | 33.7 | -37.5 | 0 | 0 | 0 | 114.5 | I1182 | I1182-P1184 VanDerWaalsContact O-CD 3.3Å; I1182-P1184 WeakPolarHBondContact O-CD 2.99Å | ||
| 1185 | F | 68.3 | Low | 68.3 | Low | 73 Ų | 73 | 59.6 Ų | 59.6 | 32% | 0.32 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -88.9 | -33.7 | -172.5 | -56.3 | -82.2 | 0 | 0 | 0 | 112.7 | N1183 K1187 D1195 I1198 | N1183-F1185 VanDerWaalsContact C-N 3.28Å; N1183-F1185 PolarHBondContact O-N 2.88Å; N1183-F1185 PolarHBondContact OD1-N 2.87Å; F1185-K1187 PolarHBondContact O-N 2Å; F1185-K1187 VanDerWaalsContact O-N 3.07Å; F1185-D1195 HydrophobicContact CB-CB 4.03Å; F1185-D1195 HydrophobicContact CD1-CB 4.25Å; F1185-D1195 HydrophobicContact CG-CB 4.2Å; F1185-I1198 HydrophobicContact CD1-CD1 4.21Å; F1185-I1198 HydrophobicContact CE1-CD1 3.59Å; F1185-I1198 HydrophobicContact CE2-CB 4.4Å; F1185-I1198 HydrophobicContact CE2-CD1 4.11Å; F1185-I1198 HydrophobicContact CE2-CG2 3.9Å; F1185-I1198 HydrophobicContact CZ-CD1 3.54Å; F1185-I1198 HydrophobicContact CZ-CG2 4.04Å |
| 1186 | A | 68.2 | Low | 68.4 | Low | 8 Ų | 8 | 58 Ų | 58 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | trans | -76 | 89.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1190 M1191 I1234 L1237 | A1186-V1190 CarbonylContact C-O 3.47Å; A1186-V1190 WeakPolarHBondContact CA-O 3.28Å; A1186-M1191 HydrophobicContact CB-CB 4.4Å; A1186-M1191 HydrophobicContact CB-SD 4.44Å; A1186-I1234 HydrophobicContact CB-CD1 3.9Å; A1186-L1237 HydrophobicContact CB-CD1 4.04Å | ||
| 1187 | K | 69.8 | Low | 68.1 | Low | 165 Ų | 165 | 63.6 Ų | 63.6 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | B | Isolated β-bridge | trans | -94.1 | 117.3 | -179.1 | -69.2 | -175.2 | 179.7 | -179.7 | 0 | 110.5 | F1185 G1189 V1190 | F1185-K1187 PolarHBondContact O-N 2Å; F1185-K1187 VanDerWaalsContact O-N 3.07Å; K1187-G1189 VanDerWaalsContact C-N 3.25Å; K1187-G1189 PolarHBondContact O-N 2.76Å; K1187-V1190 PolarHBondContact N-O 2.92Å; K1187-V1190 PolarHBondContact O-N 2.97Å |
| 1188 | G | 72.3 | Confident | 68.1 | Low | 14 Ų | 14 | 67 Ų | 67 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 34.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1190 V1253 | G1188-V1190 VanDerWaalsContact C-N 3.3Å; G1188-V1190 PolarHBondContact O-N 3.06Å; G1188-V1253 WeakPolarHBondContact O-CG1 3.34Å; G1188-V1253 VanDerWaalsContact O-CG2 3.22Å; G1188-V1253 WeakPolarHBondContact O-CG2 3.38Å |
| 1189 | G | 78 | Confident | 68 | Low | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 6.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1187 L1233 I1234 L1237 | K1187-G1189 VanDerWaalsContact C-N 3.25Å; K1187-G1189 PolarHBondContact O-N 2.76Å; G1189-L1233 CarbonylContact O-C 3.33Å; G1189-I1234 PolarHBondContact O-N 3.17Å; G1189-L1237 PolarHBondContact N-O 3.48Å |
| 1190 | V | 79.7 | Confident | 68.5 | Low | 42 Ų | 42 | 64.6 Ų | 64.6 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.1 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | A1186 K1187 G1188 W1227 V1253 | A1186-V1190 CarbonylContact C-O 3.47Å; A1186-V1190 WeakPolarHBondContact CA-O 3.28Å; K1187-V1190 PolarHBondContact N-O 2.92Å; K1187-V1190 PolarHBondContact O-N 2.97Å; G1188-V1190 VanDerWaalsContact C-N 3.3Å; G1188-V1190 PolarHBondContact O-N 3.06Å; V1190-W1227 HydrophobicContact CG1-CH2 3.95Å; V1190-W1227 HydrophobicContact CG2-CH2 4.18Å; V1190-V1253 HydrophobicContact CG2-CG1 4.43Å |
| 1191 | M | 80.2 | Confident | 68.7 | Low | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 155.8 | 178.4 | -171.6 | 172.8 | 68.5 | 0 | 0 | 110.3 | A1186 D1195 L1196 L1199 L1232 I1234 | A1186-M1191 HydrophobicContact CB-CB 4.4Å; A1186-M1191 HydrophobicContact CB-SD 4.44Å; M1191-D1195 HydrophobicContact CG-CB 4.32Å; M1191-L1196 HydrophobicContact CE-CD1 3.65Å; M1191-L1199 HydrophobicContact CE-CD1 4.31Å; M1191-L1199 HydrophobicContact SD-CD1 4.03Å; M1191-L1232 HydrophobicContact CB-CB 4.46Å; M1191-L1232 HydrophobicContact CE-CD1 3.8Å; M1191-L1232 PolarHBondContact N-O 3.3Å; M1191-L1232 PolarHBondContact O-N 2.74Å; M1191-I1234 HydrophobicContact CB-CD1 4.3Å; M1191-I1234 HydrophobicContact CE-CD1 4.1Å; M1191-I1234 HydrophobicContact SD-CD1 4.29Å |
| 1192 | R | 79.8 | Confident | 68.8 | Low | 180 Ų | 180 | 61.7 Ų | 61.7 | 68% | 0.679 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 148.6 | 174.9 | -56.3 | 176.3 | 174.5 | -162.7 | -6.7 | 111.5 | D1194 D1195 | R1192-D1194 PolarHBondContact O-N 2.8Å; R1192-D1195 WeakPolarHBondContact CB-OD2 3.39Å; R1192-D1195 PolarHBondContact O-N 2.92Å; R1192-D1195 VanDerWaalsContact O-N 3.15Å |
| 1193 | M | 76.9 | Confident | 68.8 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.6 | 179.6 | -161.5 | 66.3 | 68.1 | 0 | 0 | 113.9 | L1196 R1211 L1215 T1226 Q1230 L1232 | M1193-L1196 VanDerWaalsContact O-CB 3.27Å; M1193-L1196 WeakPolarHBondContact O-CB 3.5Å; M1193-R1211 VanDerWaalsContact CG-NH2 3.33Å; M1193-L1215 HydrophobicContact CE-CD1 4.07Å; M1193-L1215 HydrophobicContact CE-CD2 3.91Å; M1193-L1215 HydrophobicContact CE-CG 4.39Å; M1193-L1215 HydrophobicContact SD-CD1 3.72Å; M1193-L1215 HydrophobicContact SD-CD2 3.92Å; M1193-L1215 HydrophobicContact SD-CG 3.88Å; M1193-T1226 HydrophobicContact CE-CG2 3.53Å; M1193-Q1230 WeakPolarHBondContact CB-O 3.36Å; M1193-Q1230 PolarHBondContact N-O 3.13Å; M1193-L1232 HydrophobicContact CE-CD1 4.44Å; M1193-L1232 HydrophobicContact CE-CD2 4Å; M1193-L1232 HydrophobicContact CE-CG 4Å; M1193-L1232 HydrophobicContact SD-CD1 3.97Å; M1193-L1232 HydrophobicContact SD-CD2 4.39Å; M1193-L1232 HydrophobicContact SD-CG 4.2Å |
| 1194 | D | 74.2 | Confident | 68.6 | Low | 84 Ų | 84 | 68.3 Ų | 68.3 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -24.2 | 180 | -73.1 | -57.2 | 0 | 0 | 0 | 114.2 | R1192 L1196 K1197 R1211 | R1192-D1194 PolarHBondContact O-N 2.8Å; D1194-L1196 PolarHBondContact O-N 3.29Å; D1194-K1197 WeakPolarHBondContact O-CB 3.47Å; D1194-K1197 PolarHBondContact O-N 2.87Å; D1194-K1197 WeakPolarHBondContact OD1-CE 3.17Å; D1194-K1197 IonicContact OD1-NZ 3.97Å; D1194-K1197 PolarHBondContact OD1-NZ 3Å; D1194-R1211 IonicContact OD1-CZ 3.24Å; D1194-R1211 IonicContact OD1-NH1 2.91Å; D1194-R1211 PolarHBondContact OD1-NH1 3.24Å; D1194-R1211 IonicContact OD1-NH2 2.67Å; D1194-R1211 IonicContact OD2-NH2 2.92Å |
| 1195 | D | 74.4 | Confident | 68 | Low | 40 Ų | 40 | 67.9 Ų | 67.9 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.5 | 173.3 | -62.3 | -39.8 | 0 | 0 | 0 | 111.1 | F1185 M1191 R1192 K1197 I1198 | F1185-D1195 HydrophobicContact CB-CB 4.03Å; F1185-D1195 HydrophobicContact CD1-CB 4.25Å; F1185-D1195 HydrophobicContact CG-CB 4.2Å; M1191-D1195 HydrophobicContact CG-CB 4.32Å; R1192-D1195 WeakPolarHBondContact CB-OD2 3.39Å; R1192-D1195 PolarHBondContact O-N 2.92Å; R1192-D1195 VanDerWaalsContact O-N 3.15Å; D1195-K1197 PolarHBondContact O-N 3.23Å; D1195-K1197 VanDerWaalsContact O-N 3.13Å; D1195-I1198 VanDerWaalsContact O-CB 3.3Å; D1195-I1198 WeakPolarHBondContact O-CB 3.21Å; D1195-I1198 WeakPolarHBondContact O-CG1 3.38Å; D1195-I1198 PolarHBondContact O-N 2.83Å |
| 1196 | L | 71.5 | Confident | 67.2 | Low | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.1 | -33.6 | 174.8 | -156.8 | 83.3 | 0 | 0 | 0 | 112.7 | M1191 M1193 D1194 I1198 L1199 F1200 A1214 L1218 L1232 | M1191-L1196 HydrophobicContact CE-CD1 3.65Å; M1193-L1196 VanDerWaalsContact O-CB 3.27Å; M1193-L1196 WeakPolarHBondContact O-CB 3.5Å; D1194-L1196 PolarHBondContact O-N 3.29Å; L1196-I1198 PolarHBondContact O-N 2.85Å; L1196-L1199 PolarHBondContact O-N 3.37Å; L1196-F1200 HydrophobicContact CD1-CE2 4.35Å; L1196-F1200 HydrophobicContact CD2-CD2 4.5Å; L1196-F1200 HydrophobicContact CD2-CE2 4.08Å; L1196-F1200 HydrophobicContact CG-CD2 4.16Å; L1196-F1200 HydrophobicContact CG-CE2 3.89Å; L1196-F1200 WeakPolarHBondContact O-CD2 3.42Å; L1196-F1200 PolarHBondContact O-N 2.8Å; L1196-A1214 HydrophobicContact CD2-CB 4.42Å; L1196-L1218 HydrophobicContact CD1-CD1 3.87Å; L1196-L1232 HydrophobicContact CD1-CD1 4.1Å |
| 1197 | K | 65.4 | Low | 66.4 | Low | 120 Ų | 120 | 71.8 Ų | 71.8 | 52% | 0.522 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -22.2 | 177.4 | -66 | 166.8 | 175.5 | 160.3 | 0 | 113 | D1194 D1195 | D1194-K1197 WeakPolarHBondContact O-CB 3.47Å; D1194-K1197 PolarHBondContact O-N 2.87Å; D1194-K1197 WeakPolarHBondContact OD1-CE 3.17Å; D1194-K1197 IonicContact OD1-NZ 3.97Å; D1194-K1197 PolarHBondContact OD1-NZ 3Å; D1195-K1197 PolarHBondContact O-N 3.23Å; D1195-K1197 VanDerWaalsContact O-N 3.13Å |
| 1198 | I | 66.5 | Low | 65.7 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -80.9 | -35.6 | -179.7 | -51.1 | 172.5 | 0 | 0 | 0 | 110.3 | F1185 D1195 L1196 K1201 | F1185-I1198 HydrophobicContact CD1-CD1 4.21Å; F1185-I1198 HydrophobicContact CE1-CD1 3.59Å; F1185-I1198 HydrophobicContact CE2-CB 4.4Å; F1185-I1198 HydrophobicContact CE2-CD1 4.11Å; F1185-I1198 HydrophobicContact CE2-CG2 3.9Å; F1185-I1198 HydrophobicContact CZ-CD1 3.54Å; F1185-I1198 HydrophobicContact CZ-CG2 4.04Å; D1195-I1198 VanDerWaalsContact O-CB 3.3Å; D1195-I1198 WeakPolarHBondContact O-CB 3.21Å; D1195-I1198 WeakPolarHBondContact O-CG1 3.38Å; D1195-I1198 PolarHBondContact O-N 2.83Å; L1196-I1198 PolarHBondContact O-N 2.85Å; I1198-K1201 WeakPolarHBondContact O-CB 3.47Å; I1198-K1201 PolarHBondContact O-N 3Å |
| 1199 | L | 62.7 | Low | 64.9 | Low | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.9 | -40 | 179.4 | -62.5 | 171.4 | 0 | 0 | 0 | 112.3 | V1176 N1183 M1191 L1196 K1201 | V1176-L1199 HydrophobicContact CG1-CD1 4.46Å; V1176-L1199 HydrophobicContact CG2-CD1 4.49Å; N1183-L1199 HydrophobicContact CB-CD2 4.21Å; M1191-L1199 HydrophobicContact CE-CD1 4.31Å; M1191-L1199 HydrophobicContact SD-CD1 4.03Å; L1196-L1199 PolarHBondContact O-N 3.37Å; L1199-K1201 PolarHBondContact O-N 3.13Å |
| 1200 | F | 64.8 | Low | 63.8 | Low | 29 Ų | 29 | 72.2 Ų | 72.2 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -80.5 | 7.9 | 179 | -69.7 | -73.6 | 0 | 0 | 0 | 114.6 | I1172 L1196 A1202 T1203 L1210 A1214 | I1172-F1200 HydrophobicContact CG2-CE1 4.03Å; L1196-F1200 HydrophobicContact CD1-CE2 4.35Å; L1196-F1200 HydrophobicContact CD2-CD2 4.5Å; L1196-F1200 HydrophobicContact CD2-CE2 4.08Å; L1196-F1200 HydrophobicContact CG-CD2 4.16Å; L1196-F1200 HydrophobicContact CG-CE2 3.89Å; L1196-F1200 WeakPolarHBondContact O-CD2 3.42Å; L1196-F1200 PolarHBondContact O-N 2.8Å; F1200-A1202 PolarHBondContact O-N 3.08Å; F1200-A1202 VanDerWaalsContact O-N 3.15Å; F1200-T1203 PolarHBondContact O-N 2.72Å; F1200-T1203 PolarHBondContact O-OG1 3.12Å; F1200-L1210 HydrophobicContact CB-CD1 4.37Å; F1200-L1210 HydrophobicContact CB-CD2 4.18Å; F1200-L1210 HydrophobicContact CD1-CD1 4.4Å; F1200-L1210 HydrophobicContact CD1-CD2 4.41Å; F1200-L1210 HydrophobicContact CD2-CD2 3.72Å; F1200-L1210 HydrophobicContact CE2-CD2 4.22Å; F1200-L1210 HydrophobicContact CG-CD1 4.35Å; F1200-L1210 HydrophobicContact CG-CD2 3.83Å; F1200-A1214 HydrophobicContact CE2-CB 4.01Å; F1200-A1214 HydrophobicContact CZ-CB 4.04Å |
| 1201 | K | 59.7 | Low | 63 | Low | 177 Ų | 177 | 74 Ų | 74 | 77% | 0.77 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -69 | -12.3 | -175 | -159 | 172.1 | -173.2 | 177.6 | 0 | 114.5 | I1198 L1199 | I1198-K1201 WeakPolarHBondContact O-CB 3.47Å; I1198-K1201 PolarHBondContact O-N 3Å; L1199-K1201 PolarHBondContact O-N 3.13Å |
| 1202 | A | 53.7 | Low | 62.2 | Low | 90 Ų | 90 | 77 Ų | 77 | 74% | 0.744 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -82.4 | -20.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1200 | F1200-A1202 PolarHBondContact O-N 3.08Å; F1200-A1202 VanDerWaalsContact O-N 3.15Å |
| 1203 | T | 56.2 | Low | 61.6 | Low | 33 Ų | 33 | 70.9 Ų | 70.9 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -96.5 | 136.3 | 177.6 | 41.7 | 0 | 0 | 0 | 0 | 111.2 | I1172 F1200 L1205 | I1172-T1203 HydrophobicContact CD1-CG2 4.22Å; F1200-T1203 PolarHBondContact O-N 2.72Å; F1200-T1203 PolarHBondContact O-OG1 3.12Å; T1203-L1205 HydrophobicContact CG2-CD1 4.44Å; T1203-L1205 PolarHBondContact O-N 2.93Å |
| 1204 | K | 55.3 | Low | 61.1 | Low | 199 Ų | 199 | 70.9 Ų | 70.9 | 87% | 0.865 | 39% | 0.394 | S | S | * | . | trans | -80.7 | 43.3 | -173.8 | -68.1 | -175.2 | 174 | -178.5 | 0 | 113.7 | ||||
| 1205 | L | 50.5 | Low | 61 | Low | 68 Ų | 68 | 68.1 Ų | 68.1 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | trans | -92.4 | 150.1 | -173 | -78.4 | 149.2 | 0 | 0 | 0 | 112.5 | E1107 T1203 L1210 | E1107-L1205 HydrophobicContact CG-CD1 4.04Å; E1107-L1205 WeakPolarHBondContact OE1-CG 3.49Å; T1203-L1205 HydrophobicContact CG2-CD1 4.44Å; T1203-L1205 PolarHBondContact O-N 2.93Å; L1205-L1210 HydrophobicContact CB-CD1 3.49Å; L1205-L1210 VanDerWaalsContact CB-CD1 3.49Å; L1205-L1210 HydrophobicContact CD1-CD1 3.41Å; L1205-L1210 VanDerWaalsContact CD1-CD1 3.41Å; L1205-L1210 HydrophobicContact CD2-CD1 4.46Å; L1205-L1210 HydrophobicContact CG-CD1 3.92Å | ||
| 1206 | S | 51.2 | Low | 60.7 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 53% | 0.531 | 38% | 0.38 | S | S | . | . | trans | -76.6 | 146.9 | 173.1 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | S1208 | S1206-S1208 PolarHBondContact O-N 2.91Š| ||
| 1207 | A | 51.2 | Low | 60.7 | Low | 86 Ų | 86 | 68.4 Ų | 68.4 | 71% | 0.711 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.6 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1208 | S | 56.5 | Low | 61.1 | Low | 95 Ų | 95 | 62.9 Ų | 62.9 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -61.1 | -174.3 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | S1206 L1210 R1211 | S1206-S1208 PolarHBondContact O-N 2.91Å; S1208-L1210 PolarHBondContact O-N 3.04Å; S1208-R1211 PolarHBondContact O-N 3.3Å |
| 1209 | S | 55.2 | Low | 61.4 | Low | 68 Ų | 68 | 61.5 Ų | 61.5 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.7 | -24.5 | -177.2 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | S1212 | S1209-S1212 PolarHBondContact O-OG 3.06Å |
| 1210 | L | 53.8 | Low | 61.7 | Low | 26 Ų | 26 | 62.5 Ų | 62.5 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.3 | -31.6 | 176.9 | -170.3 | 143.7 | 0 | 0 | 0 | 112.6 | F1200 L1205 S1208 S1212 A1214 | F1200-L1210 HydrophobicContact CB-CD1 4.37Å; F1200-L1210 HydrophobicContact CB-CD2 4.18Å; F1200-L1210 HydrophobicContact CD1-CD1 4.4Å; F1200-L1210 HydrophobicContact CD1-CD2 4.41Å; F1200-L1210 HydrophobicContact CD2-CD2 3.72Å; F1200-L1210 HydrophobicContact CE2-CD2 4.22Å; F1200-L1210 HydrophobicContact CG-CD1 4.35Å; F1200-L1210 HydrophobicContact CG-CD2 3.83Å; L1205-L1210 HydrophobicContact CB-CD1 3.49Å; L1205-L1210 VanDerWaalsContact CB-CD1 3.49Å; L1205-L1210 HydrophobicContact CD1-CD1 3.41Å; L1205-L1210 VanDerWaalsContact CD1-CD1 3.41Å; L1205-L1210 HydrophobicContact CD2-CD1 4.46Å; L1205-L1210 HydrophobicContact CG-CD1 3.92Å; S1208-L1210 PolarHBondContact O-N 3.04Å; L1210-S1212 PolarHBondContact O-N 2.97Å; L1210-A1214 HydrophobicContact CD2-CB 3.89Å; L1210-A1214 HydrophobicContact CG-CB 4.36Å; L1210-A1214 WeakPolarHBondContact O-CB 3.24Å; L1210-A1214 PolarHBondContact O-N 2.98Å |
| 1211 | R | 62.7 | Low | 61.9 | Low | 79 Ų | 79 | 61.1 Ų | 61.1 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | -174 | -170.4 | 177.5 | 179.4 | 118.8 | -25.1 | 111.8 | M1193 D1194 S1208 L1215 | M1193-R1211 VanDerWaalsContact CG-NH2 3.33Å; D1194-R1211 IonicContact OD1-CZ 3.24Å; D1194-R1211 IonicContact OD1-NH1 2.91Å; D1194-R1211 PolarHBondContact OD1-NH1 3.24Å; D1194-R1211 IonicContact OD1-NH2 2.67Å; D1194-R1211 IonicContact OD2-NH2 2.92Å; S1208-R1211 PolarHBondContact O-N 3.3Å; R1211-L1215 VanDerWaalsContact O-CB 3.29Å; R1211-L1215 WeakPolarHBondContact O-CB 3.48Å; R1211-L1215 PolarHBondContact O-N 2.88Å |
| 1212 | S | 64.6 | Low | 62.4 | Low | 68 Ų | 68 | 52.9 Ų | 52.9 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.3 | -50.8 | 177.3 | 49.7 | 0 | 0 | 0 | 0 | 112 | S1209 L1210 A1214 L1215 N1216 | S1209-S1212 PolarHBondContact O-OG 3.06Å; L1210-S1212 PolarHBondContact O-N 2.97Å; S1212-A1214 PolarHBondContact O-N 3.06Å; S1212-L1215 WeakPolarHBondContact O-CB 3.15Å; S1212-L1215 PolarHBondContact O-N 2.91Å; S1212-L1215 VanDerWaalsContact O-N 3.15Å; S1212-N1216 VanDerWaalsContact O-CG 3.24Å; S1212-N1216 PolarHBondContact O-N 3.19Å; S1212-N1216 PolarHBondContact O-OD1 3.25Å; S1212-N1216 VanDerWaalsContact O-OD1 3.08Å |
| 1213 | Y | 66.3 | Low | 63.3 | Low | 50 Ų | 50 | 48.6 Ų | 48.6 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | -179.6 | 165 | -128.8 | 0 | 0 | 0 | 112.9 | L1158 L1161 F1163 L1215 N1216 L1217 | L1158-Y1213 HydrophobicContact CD2-CD2 3.9Å; L1158-Y1213 HydrophobicContact CD2-CE2 3.78Å; L1161-Y1213 HydrophobicContact CD1-CD2 3.28Å; L1161-Y1213 HydrophobicContact CD1-CE2 3.27Å; L1161-Y1213 HydrophobicContact CD1-CG 3.97Å; F1163-Y1213 WeakPolarHBondContact CE1-OH 3.31Å; F1163-Y1213 HydrophobicContact CZ-CE2 4.22Å; F1163-Y1213 VanDerWaalsContact CZ-OH 3.3Å; F1163-Y1213 WeakPolarHBondContact CZ-OH 3.38Å; Y1213-L1215 VanDerWaalsContact C-N 3.32Å; Y1213-L1215 PolarHBondContact O-N 2.8Å; Y1213-N1216 PolarHBondContact O-N 2.74Å; Y1213-L1217 HydrophobicContact CE2-CD1 4.2Å; Y1213-L1217 WeakPolarHBondContact O-CB 3.09Å; Y1213-L1217 PolarHBondContact O-N 3.11Å |
| 1214 | A | 67.4 | Low | 64.3 | Low | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -31.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1196 F1200 L1210 S1212 L1218 | L1196-A1214 HydrophobicContact CD2-CB 4.42Å; F1200-A1214 HydrophobicContact CE2-CB 4.01Å; F1200-A1214 HydrophobicContact CZ-CB 4.04Å; L1210-A1214 HydrophobicContact CD2-CB 3.89Å; L1210-A1214 HydrophobicContact CG-CB 4.36Å; L1210-A1214 WeakPolarHBondContact O-CB 3.24Å; L1210-A1214 PolarHBondContact O-N 2.98Å; S1212-A1214 PolarHBondContact O-N 3.06Å; A1214-L1218 WeakPolarHBondContact O-CB 3.48Å; A1214-L1218 WeakPolarHBondContact O-CG 3.42Å; A1214-L1218 PolarHBondContact O-N 2.88Å |
| 1215 | L | 70.6 | Confident | 65.3 | Low | 26 Ų | 26 | 38.2 Ų | 38.2 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -56.1 | 169.9 | -103 | 167.1 | 0 | 0 | 0 | 111.4 | M1193 R1211 S1212 Y1213 L1217 L1218 Q1219 T1226 L1232 | M1193-L1215 HydrophobicContact CE-CD1 4.07Å; M1193-L1215 HydrophobicContact CE-CD2 3.91Å; M1193-L1215 HydrophobicContact CE-CG 4.39Å; M1193-L1215 HydrophobicContact SD-CD1 3.72Å; M1193-L1215 HydrophobicContact SD-CD2 3.92Å; M1193-L1215 HydrophobicContact SD-CG 3.88Å; R1211-L1215 VanDerWaalsContact O-CB 3.29Å; R1211-L1215 WeakPolarHBondContact O-CB 3.48Å; R1211-L1215 PolarHBondContact O-N 2.88Å; S1212-L1215 WeakPolarHBondContact O-CB 3.15Å; S1212-L1215 PolarHBondContact O-N 2.91Å; S1212-L1215 VanDerWaalsContact O-N 3.15Å; Y1213-L1215 VanDerWaalsContact C-N 3.32Å; Y1213-L1215 PolarHBondContact O-N 2.8Å; L1215-L1217 PolarHBondContact O-N 3.13Å; L1215-L1218 PolarHBondContact O-N 3.32Å; L1215-Q1219 HydrophobicContact CD2-CG 4.22Å; L1215-Q1219 WeakPolarHBondContact O-CB 3.19Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.35Å; L1215-Q1219 PolarHBondContact O-N 3.05Å; L1215-T1226 HydrophobicContact CD2-CG2 3.7Å; L1215-L1232 HydrophobicContact CD2-CD2 4.11Å |
| 1216 | N | 69.2 | Low | 66.6 | Low | 46 Ų | 46 | 36 Ų | 36 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52 | -44.5 | 178.4 | -69.2 | 11.8 | 0 | 0 | 0 | 110.9 | T1157 L1158 S1212 Y1213 K1220 | T1157-N1216 PolarHBondContact O-ND2 3.13Å; T1157-N1216 VanDerWaalsContact O-ND2 3.14Å; L1158-N1216 HydrophobicContact CD2-CB 4.28Å; S1212-N1216 VanDerWaalsContact O-CG 3.24Å; S1212-N1216 PolarHBondContact O-N 3.19Å; S1212-N1216 PolarHBondContact O-OD1 3.25Å; S1212-N1216 VanDerWaalsContact O-OD1 3.08Å; Y1213-N1216 PolarHBondContact O-N 2.74Å; N1216-K1220 WeakPolarHBondContact O-CB 3.48Å; N1216-K1220 PolarHBondContact O-N 3.44Å |
| 1217 | L | 71.1 | Confident | 67.8 | Low | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -54.5 | 174.6 | -164.7 | 84.3 | 0 | 0 | 0 | 111.6 | L1158 F1163 L1169 L1173 Y1213 L1215 Q1219 K1220 F1221 | L1158-L1217 HydrophobicContact CD1-CD1 4.05Å; L1158-L1217 HydrophobicContact CD2-CD1 4.35Å; F1163-L1217 HydrophobicContact CE1-CD1 4.11Å; F1163-L1217 HydrophobicContact CZ-CD1 3.83Å; L1169-L1217 HydrophobicContact CD1-CD1 4.02Å; L1169-L1217 HydrophobicContact CD1-CD2 3.87Å; L1169-L1217 HydrophobicContact CD1-CG 4.44Å; L1173-L1217 HydrophobicContact CD2-CD2 3.81Å; L1173-L1217 HydrophobicContact CD2-CG 4.21Å; L1173-L1217 HydrophobicContact CG-CD2 4.47Å; Y1213-L1217 HydrophobicContact CE2-CD1 4.2Å; Y1213-L1217 WeakPolarHBondContact O-CB 3.09Å; Y1213-L1217 PolarHBondContact O-N 3.11Å; L1215-L1217 PolarHBondContact O-N 3.13Å; L1217-Q1219 PolarHBondContact O-N 3.16Å; L1217-K1220 PolarHBondContact O-N 3.45Å; L1217-F1221 HydrophobicContact CD1-CD2 4.15Å; L1217-F1221 HydrophobicContact CD1-CE2 3.7Å; L1217-F1221 HydrophobicContact CD1-CZ 4.44Å; L1217-F1221 HydrophobicContact CG-CD2 4.19Å; L1217-F1221 HydrophobicContact CG-CE2 4.23Å; L1217-F1221 VanDerWaalsContact O-CB 3.31Å; L1217-F1221 WeakPolarHBondContact O-CB 3.24Å; L1217-F1221 WeakPolarHBondContact O-CD2 2.94Å; L1217-F1221 PolarHBondContact O-N 3.14Å |
| 1218 | L | 74.6 | Confident | 68.8 | Low | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.4 | -34.8 | -174.8 | -70 | 169.6 | 0 | 0 | 0 | 113.6 | L1173 V1176 L1196 A1214 L1215 E1222 V1223 A1224 | L1173-L1218 HydrophobicContact CD2-CD2 3.99Å; V1176-L1218 HydrophobicContact CB-CD2 4.32Å; V1176-L1218 HydrophobicContact CG1-CD2 4.2Å; V1176-L1218 HydrophobicContact CG2-CD1 4.45Å; V1176-L1218 HydrophobicContact CG2-CD2 4.09Å; L1196-L1218 HydrophobicContact CD1-CD1 3.87Å; A1214-L1218 WeakPolarHBondContact O-CB 3.48Å; A1214-L1218 WeakPolarHBondContact O-CG 3.42Å; A1214-L1218 PolarHBondContact O-N 2.88Å; L1215-L1218 PolarHBondContact O-N 3.32Å; L1218-E1222 PolarHBondContact O-N 3.31Å; L1218-V1223 HydrophobicContact CD2-CB 3.8Å; L1218-V1223 HydrophobicContact CD2-CG1 3.69Å; L1218-V1223 HydrophobicContact CD2-CG2 4.45Å; L1218-V1223 PolarHBondContact O-N 2.77Å; L1218-A1224 CarbonylContact C-O 3.38Å; L1218-A1224 HydrophobicContact CB-CB 4.03Å; L1218-A1224 HydrophobicContact CD1-CB 4.45Å; L1218-A1224 PolarHBondContact O-N 3.36Å; L1218-A1224 VanDerWaalsContact O-N 3.15Å |
| 1219 | Q | 72.1 | Confident | 69.4 | Low | 47 Ų | 47 | 33.6 Ų | 33.6 | 22% | 0.22 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -52.8 | 173.3 | -76 | 175.2 | -23.2 | 0 | 0 | 110.5 | L1215 L1217 F1221 E1222 A1224 L1225 T1226 | L1215-Q1219 HydrophobicContact CD2-CG 4.22Å; L1215-Q1219 WeakPolarHBondContact O-CB 3.19Å; L1215-Q1219 WeakPolarHBondContact O-CG 3.35Å; L1215-Q1219 PolarHBondContact O-N 3.05Å; L1217-Q1219 PolarHBondContact O-N 3.16Å; Q1219-F1221 VanDerWaalsContact C-N 3.32Å; Q1219-F1221 PolarHBondContact O-N 3.33Å; Q1219-E1222 WeakPolarHBondContact O-CA 3.45Å; Q1219-E1222 PolarHBondContact O-N 2.93Å; Q1219-A1224 WeakPolarHBondContact CA-O 3.48Å; Q1219-A1224 PolarHBondContact N-O 2.9Å; Q1219-L1225 WeakPolarHBondContact O-CD2 3.3Å; Q1219-T1226 PolarHBondContact NE2-OG1 3.26Å |
| 1220 | K | 69.5 | Low | 70.4 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | -178.3 | -177.1 | -175.6 | -179.3 | 167.1 | 0 | 112.2 | Y954 Y1153 D1155 L1158 N1216 L1217 E1222 | Y954-K1220 WeakPolarHBondContact CE1-O 3.21Å; Y954-K1220 PolarHBondContact OH-O 3.11Å; Y1153-K1220 VanDerWaalsContact CB-NZ 3.3Å; D1155-K1220 IonicContact OD1-NZ 3.42Å; D1155-K1220 WeakPolarHBondContact OD2-CD 3.43Å; D1155-K1220 WeakPolarHBondContact OD2-CE 3.49Å; D1155-K1220 IonicContact OD2-NZ 2.68Å; D1155-K1220 PolarHBondContact OD2-NZ 2.84Å; L1158-K1220 HydrophobicContact CD1-CD 3.56Å; L1158-K1220 HydrophobicContact CG-CD 4.08Å; N1216-K1220 WeakPolarHBondContact O-CB 3.48Å; N1216-K1220 PolarHBondContact O-N 3.44Å; L1217-K1220 PolarHBondContact O-N 3.45Å; K1220-E1222 PolarHBondContact O-N 3.06Å |
| 1221 | F | 69.5 | Low | 71.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 7.2 | 176.6 | -76.4 | -111 | 0 | 0 | 0 | 113.2 | Y954 F955 Y1153 L1158 L1169 L1173 L1217 Q1219 V1223 | Y954-F1221 HydrophobicContact CD1-CD1 4.18Å; Y954-F1221 HydrophobicContact CD1-CE1 4.48Å; Y954-F1221 HydrophobicContact CD1-CG 4.33Å; Y954-F1221 HydrophobicContact CD2-CB 4.06Å; Y954-F1221 AromaticContact CD2-CD1 3.69Å; Y954-F1221 HydrophobicContact CD2-CD1 3.69Å; Y954-F1221 HydrophobicContact CD2-CG 4.09Å; Y954-F1221 VanDerWaalsContact CE2-CA 3.41Å; Y954-F1221 HydrophobicContact CE2-CB 4.18Å; Y954-F1221 WeakPolarHBondContact CE2-O 3.35Å; Y954-F1221 HydrophobicContact CG-CB 4.41Å; Y954-F1221 AromaticContact CG-CD1 3.46Å; Y954-F1221 HydrophobicContact CG-CD1 3.46Å; Y954-F1221 VanDerWaalsContact CG-CD1 3.46Å; Y954-F1221 AromaticContact CG-CE1 3.89Å; Y954-F1221 HydrophobicContact CG-CE1 3.89Å; Y954-F1221 AromaticContact CG-CG 3.96Å; Y954-F1221 HydrophobicContact CG-CG 3.96Å; F955-F1221 HydrophobicContact CZ-CE1 4.31Å; Y1153-F1221 HydrophobicContact CE1-CZ 4.44Å; Y1153-F1221 HydrophobicContact CE2-CE2 4.34Å; Y1153-F1221 AromaticContact CE2-CZ 3.8Å; Y1153-F1221 HydrophobicContact CE2-CZ 3.8Å; Y1153-F1221 AromaticContact CZ-CZ 3.65Å; Y1153-F1221 WeakPolarHBondContact OH-CZ 3.43Å; L1158-F1221 HydrophobicContact CD1-CE2 4.13Å; L1169-F1221 HydrophobicContact CD2-CE1 4.44Å; L1169-F1221 HydrophobicContact CD2-CZ 3.96Å; L1173-F1221 HydrophobicContact CD1-CD1 3.33Å; L1173-F1221 HydrophobicContact CD1-CE1 3.51Å; L1173-F1221 HydrophobicContact CD1-CG 3.95Å; L1173-F1221 HydrophobicContact CD1-CZ 4.26Å; L1217-F1221 HydrophobicContact CD1-CD2 4.15Å; L1217-F1221 HydrophobicContact CD1-CE2 3.7Å; L1217-F1221 HydrophobicContact CD1-CZ 4.44Å; L1217-F1221 HydrophobicContact CG-CD2 4.19Å; L1217-F1221 HydrophobicContact CG-CE2 4.23Å; L1217-F1221 VanDerWaalsContact O-CB 3.31Å; L1217-F1221 WeakPolarHBondContact O-CB 3.24Å; L1217-F1221 WeakPolarHBondContact O-CD2 2.94Å; L1217-F1221 PolarHBondContact O-N 3.14Å; Q1219-F1221 VanDerWaalsContact C-N 3.32Å; Q1219-F1221 PolarHBondContact O-N 3.33Å; F1221-V1223 HydrophobicContact CB-CG2 3.97Å; F1221-V1223 WeakPolarHBondContact O-CG2 3.26Å; F1221-V1223 PolarHBondContact O-N 2.95Å |
| 1222 | E | 70.2 | Confident | 72.5 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 18.5 | 178.4 | -67.7 | 157.5 | -161.1 | 0 | 0 | 114.2 | Q953 Y954 R988 L1218 Q1219 K1220 G1333 R1337 | Q953-E1222 PolarHBondContact NE2-OE2 2.89Å; Y954-E1222 WeakPolarHBondContact OH-CG 3.47Å; Y954-E1222 PolarHBondContact OH-OE1 3.23Å; Y954-E1222 PolarHBondContact OH-OE2 3Å; R988-E1222 IonicContact NH2-OE1 3.05Å; R988-E1222 PolarHBondContact NH2-OE1 3.03Å; R988-E1222 VanDerWaalsContact NH2-OE1 3.17Å; R988-E1222 IonicContact NH2-OE2 3.7Å; L1218-E1222 PolarHBondContact O-N 3.31Å; Q1219-E1222 WeakPolarHBondContact O-CA 3.45Å; Q1219-E1222 PolarHBondContact O-N 2.93Å; K1220-E1222 PolarHBondContact O-N 3.06Å; E1222-G1333 WeakPolarHBondContact OE2-CA 3.46Å; E1222-G1333 PolarHBondContact OE2-N 3.37Å; E1222-R1337 IonicContact OE1-CZ 2.73Å; E1222-R1337 IonicContact OE1-NH1 3.83Å; E1222-R1337 PolarHBondContact OE1-NH1 3.33Å; E1222-R1337 IonicContact OE1-NH2 3.12Å; E1222-R1337 PolarHBondContact OE1-NH2 3.29Å |
| 1223 | V | 72 | Confident | 73.4 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -78.9 | -45.6 | -178.5 | 177.3 | 0 | 0 | 0 | 0 | 111 | T951 L1173 V1176 I1177 L1218 F1221 I1234 P1235 | T951-V1223 HydrophobicContact CG2-CG2 3.4Å; L1173-V1223 HydrophobicContact CD2-CG2 4.38Å; V1176-V1223 HydrophobicContact CG1-CG1 4.25Å; I1177-V1223 HydrophobicContact CD1-CG1 3.78Å; I1177-V1223 HydrophobicContact CD1-CG2 4.22Å; I1177-V1223 HydrophobicContact CG1-CG1 3.68Å; L1218-V1223 HydrophobicContact CD2-CB 3.8Å; L1218-V1223 HydrophobicContact CD2-CG1 3.69Å; L1218-V1223 HydrophobicContact CD2-CG2 4.45Å; L1218-V1223 PolarHBondContact O-N 2.77Å; F1221-V1223 HydrophobicContact CB-CG2 3.97Å; F1221-V1223 WeakPolarHBondContact O-CG2 3.26Å; F1221-V1223 PolarHBondContact O-N 2.95Å; V1223-I1234 WeakPolarHBondContact O-CA 3.35Å; V1223-P1235 WeakPolarHBondContact O-CD 3.25Å |
| 1224 | A | 76.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -140 | 113.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109 | L1218 Q1219 L1232 L1233 I1234 | L1218-A1224 CarbonylContact C-O 3.38Å; L1218-A1224 HydrophobicContact CB-CB 4.03Å; L1218-A1224 HydrophobicContact CD1-CB 4.45Å; L1218-A1224 PolarHBondContact O-N 3.36Å; L1218-A1224 VanDerWaalsContact O-N 3.15Å; Q1219-A1224 WeakPolarHBondContact CA-O 3.48Å; Q1219-A1224 PolarHBondContact N-O 2.9Å; A1224-L1232 HydrophobicContact CB-CB 4.31Å; A1224-L1232 HydrophobicContact CB-CD1 4.45Å; A1224-L1232 HydrophobicContact CB-CD2 3.99Å; A1224-L1232 HydrophobicContact CB-CG 4.49Å; A1224-L1233 CarbonylContact C-O 3.04Å; A1224-L1233 VanDerWaalsContact CA-O 3.25Å; A1224-L1233 WeakPolarHBondContact CA-O 2.93Å; A1224-I1234 HydrophobicContact CB-CG1 4.17Å |
| 1225 | L | 77 | Confident | 74.6 | Confident | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.073 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -102.9 | 140.9 | 178.9 | -61.9 | 179 | 0 | 0 | 0 | 110.1 | Q1219 L1232 L1233 T1340 | Q1219-L1225 WeakPolarHBondContact O-CD2 3.3Å; L1225-L1232 WeakPolarHBondContact O-CA 3.21Å; L1225-L1233 PolarHBondContact N-O 3.24Å; L1225-L1233 PolarHBondContact O-N 2.65Å; L1225-T1340 HydrophobicContact CB-CG2 3.64Å; L1225-T1340 HydrophobicContact CD1-CG2 4.14Å |
| 1226 | T | 77.6 | Confident | 74.7 | Confident | 21 Ų | 21 | 28.7 Ų | 28.7 | 13% | 0.129 | 15% | 0.146 | C | C | . | . | trans | -91.4 | 134.5 | 171.8 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | M1193 L1215 Q1219 L1232 M1815 | M1193-T1226 HydrophobicContact CE-CG2 3.53Å; L1215-T1226 HydrophobicContact CD2-CG2 3.7Å; Q1219-T1226 PolarHBondContact NE2-OG1 3.26Å; T1226-L1232 HydrophobicContact CG2-CD2 3.55Å; T1226-M1815 HydrophobicContact CG2-CE 4.06Å | ||
| 1227 | W | 76.1 | Confident | 75.2 | Confident | 48 Ų | 48 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -103.7 | -19.6 | 158.7 | 72 | 77.9 | 0 | 0 | 0 | 111.8 | V1190 T1231 L1233 V1255 T1340 L1343 | V1190-W1227 HydrophobicContact CG1-CH2 3.95Å; V1190-W1227 HydrophobicContact CG2-CH2 4.18Å; W1227-T1231 HydrophobicContact CZ2-CG2 4.09Å; W1227-T1231 WeakPolarHBondContact CZ2-OG1 3.43Å; W1227-T1231 PolarHBondContact NE1-OG1 2.95Å; W1227-L1233 HydrophobicContact CE3-CB 3.96Å; W1227-L1233 HydrophobicContact CZ3-CB 3.75Å; W1227-L1233 HydrophobicContact CZ3-CD1 4.05Å; W1227-L1233 HydrophobicContact CZ3-CG 4.47Å; W1227-V1255 HydrophobicContact CZ2-CG1 4.32Å; W1227-T1340 HydrophobicContact CB-CG2 4.37Å; W1227-L1343 HydrophobicContact CB-CB 3.97Å; W1227-L1343 HydrophobicContact CD2-CD1 4.08Å; W1227-L1343 HydrophobicContact CE3-CD1 4.09Å; W1227-L1343 HydrophobicContact CG-CB 3.98Å; W1227-L1343 HydrophobicContact CG-CD1 4.38Å |
| 1228 | D | 72.1 | Confident | 75.8 | Confident | 48 Ų | 48 | 28.4 Ų | 28.4 | 26% | 0.257 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -137.4 | 177 | 172 | 72 | 54.4 | 0 | 0 | 0 | 111.5 | Q1230 T1231 | D1228-Q1230 VanDerWaalsContact C-N 3.25Å; D1228-Q1230 PolarHBondContact O-N 2.88Å; D1228-Q1230 WeakPolarHBondContact OD1-CA 3.49Å; D1228-Q1230 WeakPolarHBondContact OD1-CB 3.27Å; D1228-Q1230 PolarHBondContact OD1-N 3.44Å; D1228-T1231 PolarHBondContact OD1-N 3.08Å; D1228-T1231 PolarHBondContact OD1-OG1 3.38Å; D1228-T1231 VanDerWaalsContact OD1-OG1 3.08Å; D1228-T1231 WeakPolarHBondContact OD2-CG2 3.42Å; D1228-T1231 PolarHBondContact OD2-OG1 3.37Å |
| 1229 | N | 69.6 | Low | 76.2 | Confident | 111 Ų | 111 | 28.5 Ų | 28.5 | 59% | 0.594 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -76.4 | -1 | -175.6 | -68.9 | -22.3 | 0 | 0 | 0 | 115.1 | M1815 | N1229-M1815 VanDerWaalsContact OD1-CE 3.26Å; N1229-M1815 WeakPolarHBondContact OD1-CE 3.46Å |
| 1230 | Q | 76 | Confident | 76.6 | Confident | 148 Ų | 148 | 28.3 Ų | 28.3 | 69% | 0.692 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -126.7 | -20.4 | -172.5 | -56.5 | -170.9 | 19.3 | 0 | 0 | 114.1 | M1193 D1228 | M1193-Q1230 WeakPolarHBondContact CB-O 3.36Å; M1193-Q1230 PolarHBondContact N-O 3.13Å; D1228-Q1230 VanDerWaalsContact C-N 3.25Å; D1228-Q1230 PolarHBondContact O-N 2.88Å; D1228-Q1230 WeakPolarHBondContact OD1-CA 3.49Å; D1228-Q1230 WeakPolarHBondContact OD1-CB 3.27Å; D1228-Q1230 PolarHBondContact OD1-N 3.44Å |
| 1231 | T | 80.4 | Confident | 77.2 | Confident | 27 Ų | 27 | 26.8 Ų | 26.8 | 17% | 0.166 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 156.9 | -173.3 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | W1227 D1228 | W1227-T1231 HydrophobicContact CZ2-CG2 4.09Å; W1227-T1231 WeakPolarHBondContact CZ2-OG1 3.43Å; W1227-T1231 PolarHBondContact NE1-OG1 2.95Å; D1228-T1231 PolarHBondContact OD1-N 3.08Å; D1228-T1231 PolarHBondContact OD1-OG1 3.38Å; D1228-T1231 VanDerWaalsContact OD1-OG1 3.08Å; D1228-T1231 WeakPolarHBondContact OD2-CG2 3.42Å; D1228-T1231 PolarHBondContact OD2-OG1 3.37Å |
| 1232 | L | 79.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 122.8 | 178.7 | -73.2 | 168.8 | 0 | 0 | 0 | 109.9 | M1191 M1193 L1196 L1215 A1224 L1225 T1226 | M1191-L1232 HydrophobicContact CB-CB 4.46Å; M1191-L1232 HydrophobicContact CE-CD1 3.8Å; M1191-L1232 PolarHBondContact N-O 3.3Å; M1191-L1232 PolarHBondContact O-N 2.74Å; M1193-L1232 HydrophobicContact CE-CD1 4.44Å; M1193-L1232 HydrophobicContact CE-CD2 4Å; M1193-L1232 HydrophobicContact CE-CG 4Å; M1193-L1232 HydrophobicContact SD-CD1 3.97Å; M1193-L1232 HydrophobicContact SD-CD2 4.39Å; M1193-L1232 HydrophobicContact SD-CG 4.2Å; L1196-L1232 HydrophobicContact CD1-CD1 4.1Å; L1215-L1232 HydrophobicContact CD2-CD2 4.11Å; A1224-L1232 HydrophobicContact CB-CB 4.31Å; A1224-L1232 HydrophobicContact CB-CD1 4.45Å; A1224-L1232 HydrophobicContact CB-CD2 3.99Å; A1224-L1232 HydrophobicContact CB-CG 4.49Å; L1225-L1232 WeakPolarHBondContact O-CA 3.21Å; T1226-L1232 HydrophobicContact CG2-CD2 3.55Å |
| 1233 | L | 82.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.7 | 166 | -167.4 | 68.6 | 0 | 0 | 0 | 109.2 | G1189 A1224 L1225 W1227 P1235 L1238 I1339 T1340 L1381 | G1189-L1233 CarbonylContact O-C 3.33Å; A1224-L1233 CarbonylContact C-O 3.04Å; A1224-L1233 VanDerWaalsContact CA-O 3.25Å; A1224-L1233 WeakPolarHBondContact CA-O 2.93Å; L1225-L1233 PolarHBondContact N-O 3.24Å; L1225-L1233 PolarHBondContact O-N 2.65Å; W1227-L1233 HydrophobicContact CE3-CB 3.96Å; W1227-L1233 HydrophobicContact CZ3-CB 3.75Å; W1227-L1233 HydrophobicContact CZ3-CD1 4.05Å; W1227-L1233 HydrophobicContact CZ3-CG 4.47Å; L1233-P1235 WeakPolarHBondContact O-CD 3.41Å; L1233-L1238 HydrophobicContact CD1-CD1 4.32Å; L1233-L1238 HydrophobicContact CD1-CD2 4.17Å; L1233-I1339 HydrophobicContact CD2-CB 4.27Å; L1233-I1339 HydrophobicContact CD2-CG2 3.66Å; L1233-T1340 HydrophobicContact CB-CG2 4.25Å; L1233-T1340 HydrophobicContact CD2-CG2 3.85Å; L1233-L1381 HydrophobicContact CD1-CD1 4.46Å |
| 1234 | I | 81.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -105.3 | 94.4 | 170.2 | -57.6 | 177.4 | 0 | 0 | 0 | 107.1 | A1186 G1189 M1191 V1223 A1224 S1236 L1237 | A1186-I1234 HydrophobicContact CB-CD1 3.9Å; G1189-I1234 PolarHBondContact O-N 3.17Å; M1191-I1234 HydrophobicContact CB-CD1 4.3Å; M1191-I1234 HydrophobicContact CE-CD1 4.1Å; M1191-I1234 HydrophobicContact SD-CD1 4.29Å; V1223-I1234 WeakPolarHBondContact O-CA 3.35Å; A1224-I1234 HydrophobicContact CB-CG1 4.17Å; I1234-S1236 VanDerWaalsContact C-N 3.3Å; I1234-S1236 PolarHBondContact O-N 2.99Å; I1234-L1237 HydrophobicContact CB-CB 4.44Å; I1234-L1237 HydrophobicContact CB-CD1 4.31Å; I1234-L1237 HydrophobicContact CD1-CD1 4.34Å; I1234-L1237 HydrophobicContact CG2-CB 4.12Å; I1234-L1237 HydrophobicContact CG2-CD1 3.76Å; I1234-L1237 HydrophobicContact CG2-CG 3.75Å; I1234-L1237 PolarHBondContact O-N 3.38Å; I1234-L1237 VanDerWaalsContact O-N 3.07Å | ||
| 1235 | P | 77.8 | Confident | 78.3 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 13% | 0.13 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -64.3 | -33.4 | -163.9 | -21.5 | 33.1 | 0 | 0 | 0 | 113.3 | V1223 L1233 L1237 L1238 | V1223-P1235 WeakPolarHBondContact O-CD 3.25Å; L1233-P1235 WeakPolarHBondContact O-CD 3.41Å; P1235-L1237 PolarHBondContact O-N 3.06Å; P1235-L1238 WeakPolarHBondContact O-CB 3.26Å; P1235-L1238 PolarHBondContact O-N 2.95Å |
| 1236 | S | 73.2 | Confident | 78.2 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -75.3 | -3.3 | -179.8 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | E947 I1234 | E947-S1236 VanDerWaalsContact O-CB 3.23Å; E947-S1236 WeakPolarHBondContact O-CB 3.12Å; E947-S1236 PolarHBondContact O-OG 2.66Å; I1234-S1236 VanDerWaalsContact C-N 3.3Å; I1234-S1236 PolarHBondContact O-N 2.99Å |
| 1237 | L | 78.5 | Confident | 77.9 | Confident | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -107.6 | 3.3 | 172.7 | -64.9 | -176.9 | 0 | 0 | 0 | 113.3 | E947 A1186 G1189 I1234 P1235 | E947-L1237 HydrophobicContact CG-CD2 4.19Å; A1186-L1237 HydrophobicContact CB-CD1 4.04Å; G1189-L1237 PolarHBondContact N-O 3.48Å; I1234-L1237 HydrophobicContact CB-CB 4.44Å; I1234-L1237 HydrophobicContact CB-CD1 4.31Å; I1234-L1237 HydrophobicContact CD1-CD1 4.34Å; I1234-L1237 HydrophobicContact CG2-CB 4.12Å; I1234-L1237 HydrophobicContact CG2-CD1 3.76Å; I1234-L1237 HydrophobicContact CG2-CG 3.75Å; I1234-L1237 PolarHBondContact O-N 3.38Å; I1234-L1237 VanDerWaalsContact O-N 3.07Å; P1235-L1237 PolarHBondContact O-N 3.06Å |
| 1238 | L | 83.7 | Confident | 77.6 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -68.3 | 156.4 | 164 | -67.4 | 174.8 | 0 | 0 | 0 | 110.4 | L1233 P1235 V1253 I1339 L1381 Q1383 | L1233-L1238 HydrophobicContact CD1-CD1 4.32Å; L1233-L1238 HydrophobicContact CD1-CD2 4.17Å; P1235-L1238 WeakPolarHBondContact O-CB 3.26Å; P1235-L1238 PolarHBondContact O-N 2.95Å; L1238-V1253 HydrophobicContact CD2-CB 4.41Å; L1238-V1253 HydrophobicContact CD2-CG1 3.91Å; L1238-V1253 HydrophobicContact CD2-CG2 4.33Å; L1238-I1339 HydrophobicContact CD1-CD1 4.38Å; L1238-L1381 HydrophobicContact CD2-CB 4.21Å; L1238-Q1383 HydrophobicContact CB-CG 3.98Å; L1238-Q1383 WeakPolarHBondContact O-CG 3.43Å; L1238-Q1383 PolarHBondContact O-NE2 3.37Å |
| 1239 | P | 84.3 | Confident | 77.3 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 164.2 | 171.8 | 33.7 | -40.8 | 0 | 0 | 0 | 111.7 | Q1243 L1244 C1251 V1253 W1382 Q1383 | P1239-Q1243 HydrophobicContact CB-CB 4.15Å; P1239-L1244 HydrophobicContact CG-CB 4.41Å; P1239-C1251 HydrophobicContact CB-CB 3.95Å; P1239-C1251 WeakPolarHBondContact CG-O 3.48Å; P1239-V1253 HydrophobicContact CG-CG2 4.27Å; P1239-W1382 HydrophobicContact CG-CB 4.09Å; P1239-W1382 WeakPolarHBondContact O-CA 3.39Å; P1239-W1382 WeakPolarHBondContact O-CB 3.46Å; P1239-Q1383 WeakPolarHBondContact O-CG 3.47Å; P1239-Q1383 PolarHBondContact O-N 3.39Å |
| 1240 | D | 81 | Confident | 77.2 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 164.9 | 158 | 67.2 | 51.7 | 0 | 0 | 0 | 111 | Y1242 Q1243 L1244 | D1240-Y1242 PolarHBondContact O-N 2.92Å; D1240-Y1242 WeakPolarHBondContact OD1-CA 3.45Å; D1240-Y1242 WeakPolarHBondContact OD1-CB 3.33Å; D1240-Y1242 PolarHBondContact OD1-N 3.1Å; D1240-Q1243 PolarHBondContact O-N 2.89Å; D1240-Q1243 WeakPolarHBondContact OD1-CG 3.38Å; D1240-Q1243 PolarHBondContact OD1-N 2.94Å; D1240-Q1243 PolarHBondContact OD2-NE2 3.32Å; D1240-L1244 PolarHBondContact O-N 3.22Å |
| 1241 | E | 81.8 | Confident | 77 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -33.3 | -177.1 | -170.2 | 173.5 | -160.6 | 0 | 0 | 111.9 | L1244 R1245 W1382 K1399 | E1241-L1244 PolarHBondContact O-N 3.09Å; E1241-R1245 HydrophobicContact CG-CG 3.8Å; E1241-R1245 WeakPolarHBondContact O-CB 3.48Å; E1241-R1245 WeakPolarHBondContact O-CG 3.31Å; E1241-R1245 PolarHBondContact O-N 3Å; E1241-R1245 IonicContact OE1-CZ 3.36Å; E1241-R1245 IonicContact OE1-NE 3.68Å; E1241-R1245 PolarHBondContact OE1-NE 3.3Å; E1241-R1245 IonicContact OE1-NH2 3.23Å; E1241-R1245 PolarHBondContact OE1-NH2 3.45Å; E1241-W1382 HydrophobicContact CB-CG 4.46Å; E1241-K1399 IonicContact OE1-NZ 3.92Å; E1241-K1399 PolarHBondContact OE1-NZ 3.42Å |
| 1242 | Y | 75.5 | Confident | 76.7 | Confident | 118 Ų | 118 | 45.7 Ų | 45.7 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 178 | 179.4 | -84.6 | 0 | 0 | 0 | 111.2 | D1240 L1244 A1246 Y1248 L1406 | D1240-Y1242 PolarHBondContact O-N 2.92Å; D1240-Y1242 WeakPolarHBondContact OD1-CA 3.45Å; D1240-Y1242 WeakPolarHBondContact OD1-CB 3.33Å; D1240-Y1242 PolarHBondContact OD1-N 3.1Å; Y1242-L1244 VanDerWaalsContact C-N 3.32Å; Y1242-L1244 PolarHBondContact O-N 2.79Å; Y1242-A1246 HydrophobicContact CE1-CB 4.44Å; Y1242-A1246 WeakPolarHBondContact O-CB 3.18Å; Y1242-A1246 PolarHBondContact O-N 2.61Å; Y1242-Y1248 HydrophobicContact CE1-CE2 4.09Å; Y1242-L1406 HydrophobicContact CD2-CD1 4.28Å; Y1242-L1406 HydrophobicContact CE2-CD1 3.78Å |
| 1243 | Q | 78.4 | Confident | 76.7 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 175.3 | -70.1 | 174.5 | 39 | 0 | 0 | 112.3 | P1239 D1240 G1247 Y1248 C1251 | P1239-Q1243 HydrophobicContact CB-CB 4.15Å; D1240-Q1243 PolarHBondContact O-N 2.89Å; D1240-Q1243 WeakPolarHBondContact OD1-CG 3.38Å; D1240-Q1243 PolarHBondContact OD1-N 2.94Å; D1240-Q1243 PolarHBondContact OD2-NE2 3.32Å; Q1243-G1247 PolarHBondContact O-N 2.83Å; Q1243-Y1248 HydrophobicContact CB-CD2 4.49Å; Q1243-Y1248 PolarHBondContact O-N 3.47Å; Q1243-Y1248 VanDerWaalsContact O-N 3.16Å; Q1243-C1251 HydrophobicContact CB-CB 4.5Å |
| 1244 | L | 80.8 | Confident | 76.7 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -55.7 | 177.6 | -179.7 | 64.4 | 0 | 0 | 0 | 111.2 | P1239 D1240 E1241 Y1242 A1246 G1247 C1251 W1382 | P1239-L1244 HydrophobicContact CG-CB 4.41Å; D1240-L1244 PolarHBondContact O-N 3.22Å; E1241-L1244 PolarHBondContact O-N 3.09Å; Y1242-L1244 VanDerWaalsContact C-N 3.32Å; Y1242-L1244 PolarHBondContact O-N 2.79Å; L1244-A1246 VanDerWaalsContact C-N 3.35Å; L1244-A1246 PolarHBondContact O-N 3.08Å; L1244-G1247 PolarHBondContact O-N 3.49Å; L1244-G1247 VanDerWaalsContact O-N 3.08Å; L1244-C1251 WeakPolarHBondContact CD1-O 3.45Å; L1244-W1382 HydrophobicContact CD2-CB 4.28Å; L1244-W1382 HydrophobicContact CD2-CD2 4.08Å; L1244-W1382 HydrophobicContact CD2-CE3 3.54Å; L1244-W1382 HydrophobicContact CD2-CG 4.44Å; L1244-W1382 HydrophobicContact CD2-CZ3 4.15Å |
| 1245 | R | 77.1 | Confident | 76.7 | Confident | 78 Ų | 78 | 52 Ų | 52 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.5 | -30.3 | -176.1 | -59.3 | -64.4 | -175.9 | -157.4 | -5.8 | 113.2 | E1241 G1247 E1387 V1407 | E1241-R1245 HydrophobicContact CG-CG 3.8Å; E1241-R1245 WeakPolarHBondContact O-CB 3.48Å; E1241-R1245 WeakPolarHBondContact O-CG 3.31Å; E1241-R1245 PolarHBondContact O-N 3Å; E1241-R1245 IonicContact OE1-CZ 3.36Å; E1241-R1245 IonicContact OE1-NE 3.68Å; E1241-R1245 PolarHBondContact OE1-NE 3.3Å; E1241-R1245 IonicContact OE1-NH2 3.23Å; E1241-R1245 PolarHBondContact OE1-NH2 3.45Å; R1245-G1247 PolarHBondContact O-N 3.47Å; R1245-E1387 IonicContact CZ-OE1 3.85Å; R1245-E1387 IonicContact CZ-OE2 2.76Å; R1245-E1387 VanDerWaalsContact CZ-OE2 3.24Å; R1245-E1387 VanDerWaalsContact NH1-CD 3.26Å; R1245-E1387 IonicContact NH1-OE1 2.75Å; R1245-E1387 PolarHBondContact NH1-OE1 3.22Å; R1245-E1387 IonicContact NH1-OE2 3.78Å; R1245-E1387 PolarHBondContact NH1-OE2 3.26Å; R1245-E1387 IonicContact NH2-OE1 3.94Å; R1245-E1387 IonicContact NH2-OE2 2.87Å; R1245-E1387 PolarHBondContact NH2-OE2 2.71Å; R1245-V1407 HydrophobicContact CB-CG2 4.41Å; R1245-V1407 HydrophobicContact CG-CG2 4.22Å |
| 1246 | A | 74.1 | Confident | 76.8 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1242 L1244 Y1248 | Y1242-A1246 HydrophobicContact CE1-CB 4.44Å; Y1242-A1246 WeakPolarHBondContact O-CB 3.18Å; Y1242-A1246 PolarHBondContact O-N 2.61Å; L1244-A1246 VanDerWaalsContact C-N 3.35Å; L1244-A1246 PolarHBondContact O-N 3.08Å; A1246-Y1248 HydrophobicContact CB-CD2 3.79Å; A1246-Y1248 HydrophobicContact CB-CE2 3.65Å |
| 1247 | G | 71.2 | Confident | 76.9 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 34.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1243 L1244 R1245 | Q1243-G1247 PolarHBondContact O-N 2.83Å; L1244-G1247 PolarHBondContact O-N 3.49Å; L1244-G1247 VanDerWaalsContact O-N 3.08Å; R1245-G1247 PolarHBondContact O-N 3.47Å |
| 1248 | Y | 69.8 | Low | 76.4 | Confident | 122 Ų | 122 | 52.5 Ų | 52.5 | 48% | 0.478 | 30% | 0.297 | S | S | . | . | trans | -63.6 | 138.5 | -179.4 | -82.8 | -96.2 | 0 | 0 | 0 | 111.9 | Y1242 Q1243 A1246 G1250 C1251 | Y1242-Y1248 HydrophobicContact CE1-CE2 4.09Å; Q1243-Y1248 HydrophobicContact CB-CD2 4.49Å; Q1243-Y1248 PolarHBondContact O-N 3.47Å; Q1243-Y1248 VanDerWaalsContact O-N 3.16Å; A1246-Y1248 HydrophobicContact CB-CD2 3.79Å; A1246-Y1248 HydrophobicContact CB-CE2 3.65Å; Y1248-G1250 PolarHBondContact O-N 3.23Å; Y1248-G1250 VanDerWaalsContact O-N 3.17Å; Y1248-C1251 VanDerWaalsContact CB-SG 3.58Å; Y1248-C1251 VanDerWaalsContact O-CB 3.32Å; Y1248-C1251 WeakPolarHBondContact O-CB 3.3Å; Y1248-C1251 PolarHBondContact O-N 2.89Å | ||
| 1249 | P | 66.9 | Low | 75 | Confident | 123 Ų | 123 | 55.4 Ų | 55.4 | 80% | 0.799 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 120.3 | -175.2 | -27.7 | 35.6 | 0 | 0 | 0 | 113.7 | ||
| 1250 | G | 66.4 | Low | 73.6 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 18.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1248 | Y1248-G1250 PolarHBondContact O-N 3.23Å; Y1248-G1250 VanDerWaalsContact O-N 3.17Å |
| 1251 | C | 72.5 | Confident | 71.9 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | trans | -98.6 | -5.2 | 171.5 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | P1239 Q1243 L1244 Y1248 V1253 | P1239-C1251 HydrophobicContact CB-CB 3.95Å; P1239-C1251 WeakPolarHBondContact CG-O 3.48Å; Q1243-C1251 HydrophobicContact CB-CB 4.5Å; L1244-C1251 WeakPolarHBondContact CD1-O 3.45Å; Y1248-C1251 VanDerWaalsContact CB-SG 3.58Å; Y1248-C1251 VanDerWaalsContact O-CB 3.32Å; Y1248-C1251 WeakPolarHBondContact O-CB 3.3Å; Y1248-C1251 PolarHBondContact O-N 2.89Å; C1251-V1253 PolarHBondContact O-N 3.11Å; C1251-V1253 VanDerWaalsContact O-N 3.1Å | ||
| 1252 | D | 73.2 | Confident | 70 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | trans | -79.7 | 86.9 | 176.8 | -172.5 | 23.4 | 0 | 0 | 0 | 110.7 | K1254 | D1252-K1254 VanDerWaalsContact OD1-CE 3.22Å; D1252-K1254 WeakPolarHBondContact OD1-CE 3.16Å; D1252-K1254 IonicContact OD1-NZ 2.7Å; D1252-K1254 PolarHBondContact OD1-NZ 3.21Å; D1252-K1254 IonicContact OD2-NZ 3.74Å; D1252-K1254 PolarHBondContact OD2-NZ 2.83Å | ||
| 1253 | V | 81 | Confident | 67.9 | Low | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.067 | 40% | 0.399 | C | S | . | . | trans | -92.3 | 99.8 | -178.7 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | G1188 V1190 L1238 P1239 C1251 S1380 L1381 | G1188-V1253 WeakPolarHBondContact O-CG1 3.34Å; G1188-V1253 VanDerWaalsContact O-CG2 3.22Å; G1188-V1253 WeakPolarHBondContact O-CG2 3.38Å; V1190-V1253 HydrophobicContact CG2-CG1 4.43Å; L1238-V1253 HydrophobicContact CD2-CB 4.41Å; L1238-V1253 HydrophobicContact CD2-CG1 3.91Å; L1238-V1253 HydrophobicContact CD2-CG2 4.33Å; P1239-V1253 HydrophobicContact CG-CG2 4.27Å; C1251-V1253 PolarHBondContact O-N 3.11Å; C1251-V1253 VanDerWaalsContact O-N 3.1Å; V1253-S1380 WeakPolarHBondContact O-CA 3.45Å; V1253-L1381 HydrophobicContact CG1-CB 4.34Å; V1253-L1381 PolarHBondContact O-N 3.35Å; V1253-L1381 VanDerWaalsContact O-N 3.12Å | ||
| 1254 | K | 81.2 | Confident | 65.8 | Low | 107 Ų | 107 | 72.4 Ų | 72.4 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.8 | -179 | -75.9 | 176.9 | 169.5 | 122.4 | 0 | 113 | D1252 N1378 W1379 | D1252-K1254 VanDerWaalsContact OD1-CE 3.22Å; D1252-K1254 WeakPolarHBondContact OD1-CE 3.16Å; D1252-K1254 IonicContact OD1-NZ 2.7Å; D1252-K1254 PolarHBondContact OD1-NZ 3.21Å; D1252-K1254 IonicContact OD2-NZ 3.74Å; D1252-K1254 PolarHBondContact OD2-NZ 2.83Å; K1254-N1378 WeakPolarHBondContact CD-OD1 3.41Å; K1254-N1378 WeakPolarHBondContact CE-OD1 3.45Å; K1254-N1378 WeakPolarHBondContact CG-OD1 3.47Å; K1254-W1379 VanDerWaalsContact CA-O 3.31Å; K1254-W1379 WeakPolarHBondContact CA-O 3.3Å |
| 1255 | V | 83.1 | Confident | 63.5 | Low | 15 Ų | 15 | 75.5 Ų | 75.5 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.8 | 173 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | W1227 L1343 N1378 W1379 L1381 | W1227-V1255 HydrophobicContact CZ2-CG1 4.32Å; V1255-L1343 HydrophobicContact CG1-CD2 4.35Å; V1255-N1378 WeakPolarHBondContact O-CA 2.82Å; V1255-W1379 HydrophobicContact CB-CB 4.35Å; V1255-W1379 PolarHBondContact N-O 3.49Å; V1255-W1379 PolarHBondContact O-N 2.94Å; V1255-L1381 HydrophobicContact CG2-CD1 3.73Å |
| 1256 | P | 78.1 | Confident | 61.2 | Low | 52 Ų | 52 | 83.5 Ų | 83.5 | 34% | 0.338 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 147.6 | 176.2 | 29.5 | -35 | 0 | 0 | 0 | 110.1 | ||
| 1257 | V | 76.6 | Confident | 59 | Low | 8 Ų | 8 | 90.2 Ų | 90.2 | 5% | 0.048 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -66.2 | -56.6 | 179.6 | 177 | 0 | 0 | 0 | 0 | 110.7 | P1259 H1349 F1352 L1377 V1388 | V1257-P1259 VanDerWaalsContact O-CD 3.26Å; V1257-P1259 WeakPolarHBondContact O-CD 3.31Å; V1257-H1349 PolarHBondContact O-CE1 3.2Å; V1257-H1349 VanDerWaalsContact O-CE1 3.25Å; V1257-H1349 PolarHBondContact O-ND1 2.84Å; V1257-H1349 VanDerWaalsContact O-ND1 3.13Å; V1257-F1352 HydrophobicContact CG1-CB 4.28Å; V1257-F1352 HydrophobicContact CG1-CD2 3.66Å; V1257-F1352 HydrophobicContact CG1-CE2 4.42Å; V1257-F1352 HydrophobicContact CG1-CG 4.21Å; V1257-L1377 HydrophobicContact CB-CB 4.27Å; V1257-L1377 HydrophobicContact CG2-CB 3.9Å; V1257-L1377 PolarHBondContact N-O 2.67Å; V1257-V1388 HydrophobicContact CG2-CG2 4.23Å |
| 1258 | N | 67.9 | Low | 56.9 | Low | 34 Ų | 34 | 92.2 Ų | 92.2 | 18% | 0.182 | 50% | 0.503 | C | S | . | . | trans | -98.9 | 107.1 | -178 | -167.8 | -27.9 | 0 | 0 | 0 | 111.8 | K1260 Y1261 E1353 | N1258-K1260 VanDerWaalsContact C-N 3.33Å; N1258-K1260 PolarHBondContact O-N 3.02Å; N1258-K1260 VanDerWaalsContact OD1-CB 3.32Å; N1258-K1260 WeakPolarHBondContact OD1-CB 3.28Å; N1258-K1260 PolarHBondContact OD1-N 3.08Å; N1258-Y1261 HydrophobicContact CB-CD2 4.46Å; N1258-E1353 PolarHBondContact ND2-OE1 3.22Å | ||
| 1259 | P | 54.7 | Low | 54.7 | Low | 67 Ų | 67 | 98.2 Ų | 98.2 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -74.8 | -18.9 | 179.2 | 30.7 | -35.9 | 0 | 0 | 0 | 113.5 | V1257 Y1261 S1262 | V1257-P1259 VanDerWaalsContact O-CD 3.26Å; V1257-P1259 WeakPolarHBondContact O-CD 3.31Å; P1259-Y1261 PolarHBondContact O-N 2.86Å; P1259-S1262 WeakPolarHBondContact O-CB 3.47Å; P1259-S1262 PolarHBondContact O-N 3.43Å; P1259-S1262 PolarHBondContact O-OG 3.04Å; P1259-S1262 VanDerWaalsContact O-OG 3.08Å |
| 1260 | K | 53.5 | Low | 52.9 | Low | 149 Ų | 149 | 102.7 Ų | 102.7 | 65% | 0.648 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -65.1 | -26.9 | -176.6 | -61.7 | 164.8 | -174.7 | 157.6 | 0 | 111.3 | N1258 D1346 | N1258-K1260 VanDerWaalsContact C-N 3.33Å; N1258-K1260 PolarHBondContact O-N 3.02Å; N1258-K1260 VanDerWaalsContact OD1-CB 3.32Å; N1258-K1260 WeakPolarHBondContact OD1-CB 3.28Å; N1258-K1260 PolarHBondContact OD1-N 3.08Å; K1260-D1346 IonicContact NZ-OD1 2.75Å; K1260-D1346 PolarHBondContact NZ-OD1 3.18Å |
| 1261 | Y | 45.7 | Very low | 51 | Low | 172 Ų | 172 | 110.9 Ų | 110.9 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -94.2 | 8.4 | 175.8 | -66 | -82.6 | 0 | 0 | 0 | 114.7 | N1258 P1259 A1263 | N1258-Y1261 HydrophobicContact CB-CD2 4.46Å; P1259-Y1261 PolarHBondContact O-N 2.86Å; Y1261-A1263 PolarHBondContact O-N 3.21Å |
| 1262 | S | 42.7 | Very low | 48.7 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 52% | 0.517 | 57% | 0.572 | S | S | . | * | trans | -76.5 | 56.8 | 173.6 | 81.9 | 0 | 0 | 0 | 0 | 112.2 | P1259 | P1259-S1262 WeakPolarHBondContact O-CB 3.47Å; P1259-S1262 PolarHBondContact O-N 3.43Å; P1259-S1262 PolarHBondContact O-OG 3.04Å; P1259-S1262 VanDerWaalsContact O-OG 3.08Å | ||
| 1263 | A | 31.5 | Very low | 46.5 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 63% | 0.628 | 59% | 0.587 | S | S | * | * | trans | -54.1 | 143.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y1261 A1265 | Y1261-A1263 PolarHBondContact O-N 3.21Å; A1263-A1265 VanDerWaalsContact C-N 3.28Å; A1263-A1265 PolarHBondContact O-N 3.27Å | ||
| 1264 | P | 34.7 | Very low | 43.8 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 83% | 0.825 | 62% | 0.619 | S | S | * | * | trans | -71 | 85 | -177 | 29 | -35.2 | 0 | 0 | 0 | 110.6 | R1266 | P1264-R1266 PolarHBondContact O-N 2.9Š| ||
| 1265 | A | 32.4 | Very low | 41.2 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 64% | 0.635 | S | S | * | * | trans | -50.2 | 112.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1263 K1267 | A1263-A1265 VanDerWaalsContact C-N 3.28Å; A1263-A1265 PolarHBondContact O-N 3.27Å; A1265-K1267 PolarHBondContact O-N 3.29Å | ||
| 1266 | R | 28.5 | Very low | 38.4 | Very low | 245 Ų | 245 | 133.4 Ų | 133.4 | 93% | 0.925 | 67% | 0.672 | S | S | * | * | trans | -57.3 | 105.7 | 179.5 | -78.2 | 179.6 | 169.8 | 175.3 | -2.2 | 108.2 | P1264 P1268 | P1264-R1266 PolarHBondContact O-N 2.9Å; R1266-P1268 WeakPolarHBondContact O-CD 3.47Å; R1266-P1268 VanDerWaalsContact O-N 3.07Å | ||
| 1267 | K | 28.2 | Very low | 36 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 70% | 0.697 | S | S | * | * | trans | -48.5 | 119 | 178.2 | -68.6 | -176.3 | 178.8 | 179.4 | 0 | 109 | A1265 R1269 | A1265-K1267 PolarHBondContact O-N 3.29Å; K1267-R1269 PolarHBondContact O-N 3.47Å | ||
| 1268 | P | 26.7 | Very low | 33.6 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | trans | -58.5 | 134.4 | 170.3 | 24.5 | -32.3 | 0 | 0 | 0 | 107.8 | R1266 Y1270 | R1266-P1268 WeakPolarHBondContact O-CD 3.47Å; R1266-P1268 VanDerWaalsContact O-N 3.07Å; P1268-Y1270 HydrophobicContact CG-CD2 4.48Å; P1268-Y1270 PolarHBondContact O-N 2.86Å | ||
| 1269 | R | 24.1 | Very low | 31.7 | Very low | 247 Ų | 247 | 148.8 Ų | 148.8 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | trans | -71.7 | 69.3 | -178 | -77.4 | -179.4 | 167.7 | 174.8 | -4.2 | 111.1 | K1267 R1271 | K1267-R1269 PolarHBondContact O-N 3.47Å; R1269-R1271 PolarHBondContact O-N 3.33Å; R1269-R1271 VanDerWaalsContact O-N 3.15Å | ||
| 1270 | Y | 28.6 | Very low | 30.3 | Very low | 217 Ų | 217 | 151.3 Ų | 151.3 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -63.1 | 115.8 | 163.1 | -96.5 | -86.6 | 0 | 0 | 0 | 108.6 | P1268 S1272 | P1268-Y1270 HydrophobicContact CG-CD2 4.48Å; P1268-Y1270 PolarHBondContact O-N 2.86Å; Y1270-S1272 PolarHBondContact O-N 3.18Å | ||
| 1271 | R | 25.7 | Very low | 29 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -61.1 | 130 | -178.7 | -75.8 | 175.9 | 166.8 | 163 | -5.2 | 109.4 | R1269 L1273 | R1269-R1271 PolarHBondContact O-N 3.33Å; R1269-R1271 VanDerWaalsContact O-N 3.15Å; R1271-L1273 PolarHBondContact O-N 3.25Å | ||
| 1272 | S | 25.4 | Very low | 28 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -64.2 | 100 | 164.4 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | Y1270 T1274 | Y1270-S1272 PolarHBondContact O-N 3.18Å; S1272-T1274 PolarHBondContact O-N 3.13Å | ||
| 1273 | L | 26 | Very low | 27.2 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -80.7 | 94.6 | 167.5 | -96.8 | 168.1 | 0 | 0 | 0 | 108.2 | R1271 T1275 | R1271-L1273 PolarHBondContact O-N 3.25Å; L1273-T1275 PolarHBondContact O-N 3.43Å | ||
| 1274 | T | 24.5 | Very low | 27 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -68.2 | 117.4 | 177.4 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | S1272 | S1272-T1274 PolarHBondContact O-N 3.13Š| ||
| 1275 | T | 26.8 | Very low | 26.9 | Very low | 128 Ų | 128 | 161.2 Ų | 161.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -115.2 | 117 | 161.2 | 36.9 | 0 | 0 | 0 | 0 | 108.8 | L1273 | L1273-T1275 PolarHBondContact O-N 3.43Š| ||
| 1276 | K | 24 | Very low | 26.7 | Very low | 202 Ų | 202 | 162.9 Ų | 162.9 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -76.8 | 137.6 | 173.2 | -60.8 | 174.6 | -178.8 | 176.3 | 0 | 108.1 | ||||
| 1277 | H | 28.3 | Very low | 26.6 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -118.9 | 106.3 | 158.2 | -92.7 | -75.8 | 0 | 0 | 0 | 110 | ||||
| 1278 | S | 25.8 | Very low | 26.4 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -76.6 | 161.8 | 153.8 | 51 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1279 | T | 27.3 | Very low | 26.5 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -53.2 | 157.8 | 163.4 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1280 | V | 26.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | -156.7 | 159.4 | 50.4 | 164.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1281 | D | 25 | Very low | 26.5 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 22.2 | 146.6 | 164.4 | -67.6 | -48.7 | 0 | 0 | 0 | 123.2 | ||||
| 1282 | G | 24.2 | Very low | 26.5 | Very low | 76 Ų | 76 | 147 Ų | 147 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | 160.7 | 101.3 | 160 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1283 | S | 26.6 | Very low | 26.7 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -65.4 | 129.4 | 177.1 | 55.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1284 | K | 26.8 | Very low | 26.9 | Very low | 205 Ų | 205 | 148 Ų | 148 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -168.9 | 141.5 | 146 | -104.9 | 148.9 | -171.6 | 176.3 | 0 | 112.4 | ||||
| 1285 | R | 33.9 | Very low | 27 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | trans | -74.4 | 150.1 | 162.3 | -70.1 | 176.3 | 172.3 | 170.6 | -4.2 | 109.7 | ||||
| 1286 | P | 28.3 | Very low | 27 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -118.9 | 162.1 | 145.5 | 32.9 | -22.2 | 0 | 0 | 0 | 113 | ||||
| 1287 | A | 24.7 | Very low | 27.3 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -48 | 151.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1288 | A | 25 | Very low | 27.1 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -68.9 | 135.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1289 | V | 28.3 | Very low | 27.5 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -106 | 114.6 | 165.5 | 175.6 | 0 | 0 | 0 | 0 | 107.5 | R1291 | V1289-R1291 PolarHBondContact O-N 3.39Š| ||
| 1290 | Q | 26.7 | Very low | 27.5 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 127.5 | 169.3 | -69.3 | 169.6 | -37.1 | 0 | 0 | 108.9 | ||||
| 1291 | R | 27.2 | Very low | 27.9 | Very low | 234 Ų | 234 | 142.4 Ų | 142.4 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -114 | 124.6 | 156.6 | -77 | -168.9 | 172.7 | -165.8 | -2.3 | 107.9 | V1289 | V1289-R1291 PolarHBondContact O-N 3.39Š| ||
| 1292 | L | 25.9 | Very low | 28.2 | Very low | 155 Ų | 155 | 141 Ų | 141 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -66.9 | 156.3 | 177.7 | -69.2 | 134.3 | 0 | 0 | 0 | 110.3 | ||||
| 1293 | P | 28.5 | Very low | 28.7 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -60.3 | 138.9 | 166.3 | 28.1 | -34.2 | 0 | 0 | 0 | 109.7 | V1295 | P1293-V1295 PolarHBondContact O-N 3.38Å; P1293-V1295 VanDerWaalsContact O-N 3.17Å | ||
| 1294 | L | 30.3 | Very low | 29.4 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -75.6 | 105.1 | -179.7 | -86.5 | 160.9 | 0 | 0 | 0 | 110.5 | ||||
| 1295 | V | 26.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 141.7 | 153.9 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | P1293 | P1293-V1295 PolarHBondContact O-N 3.38Å; P1293-V1295 VanDerWaalsContact O-N 3.17Å |
| 1296 | A | 26 | Very low | 30.5 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 129.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1298 | A1296-R1298 PolarHBondContact O-N 3.38Š|
| 1297 | P | 30.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.4 | -178.5 | 27.2 | -33.3 | 0 | 0 | 0 | 110 | ||
| 1298 | R | 25.7 | Very low | 32.6 | Very low | 217 Ų | 217 | 130.5 Ų | 130.5 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 145.1 | 152.3 | -70.7 | -179.1 | 175 | -178.3 | -1.9 | 107.9 | A1296 T1300 | A1296-R1298 PolarHBondContact O-N 3.38Å; R1298-T1300 PolarHBondContact O-N 3.29Å |
| 1299 | P | 32.9 | Very low | 34 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -72.2 | 78.5 | -179.6 | 29.7 | -35.2 | 0 | 0 | 0 | 111.3 | F1314 | P1299-F1314 HydrophobicContact CB-CD2 4.2Š|
| 1300 | T | 28 | Very low | 34.7 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | trans | -124 | 54.9 | 168.5 | 59.1 | 0 | 0 | 0 | 0 | 109.1 | R1298 T1302 | R1298-T1300 PolarHBondContact O-N 3.29Å; T1300-T1302 PolarHBondContact O-N 3.43Å; T1300-T1302 VanDerWaalsContact O-N 3.16Å | ||
| 1301 | A | 34.6 | Very low | 36 | Very low | 96 Ų | 96 | 117.3 Ų | 117.3 | 79% | 0.793 | 67% | 0.674 | S | S | * | * | trans | -70.8 | 104.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P1303 | A1301-P1303 WeakPolarHBondContact O-CD 3.45Š| ||
| 1302 | T | 30.7 | Very low | 37.3 | Very low | 133 Ų | 133 | 108.3 Ų | 108.3 | 82% | 0.816 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 119.3 | 165.5 | 48.2 | 0 | 0 | 0 | 0 | 108.3 | T1300 | T1300-T1302 PolarHBondContact O-N 3.43Å; T1300-T1302 VanDerWaalsContact O-N 3.16Å |
| 1303 | P | 35.6 | Very low | 38.7 | Very low | 100 Ų | 100 | 108 Ų | 108 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 146.3 | -173.2 | 26.6 | -34.2 | 0 | 0 | 0 | 111.6 | A1301 | A1301-P1303 WeakPolarHBondContact O-CD 3.45Š|
| 1304 | N | 40.4 | Very low | 40 | Very low | 120 Ų | 120 | 106.1 Ų | 106.1 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.1 | 166.1 | -117 | -21.8 | 0 | 0 | 0 | 108.6 | S1306 | N1304-S1306 PolarHBondContact O-N 3.16Š|
| 1305 | P | 38.6 | Very low | 41.2 | Very low | 134 Ų | 134 | 104.8 Ų | 104.8 | 87% | 0.87 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 45.3 | -173.9 | 33.6 | -37.8 | 0 | 0 | 0 | 113 | ||
| 1306 | S | 46.8 | Very low | 42.7 | Very low | 86 Ų | 86 | 104.5 Ų | 104.5 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.8 | 13.9 | -174.4 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | N1304 | N1304-S1306 PolarHBondContact O-N 3.16Š|
| 1307 | F | 48.2 | Very low | 44.4 | Very low | 115 Ų | 115 | 104 Ų | 104 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -133.7 | 141.3 | 175.6 | -74.1 | -83.5 | 0 | 0 | 0 | 110.2 | Y1309 L1376 | F1307-Y1309 PolarHBondContact O-N 3.17Å; F1307-L1376 HydrophobicContact CE1-CD2 4.01Å; F1307-L1376 HydrophobicContact CZ-CD2 4.42Å |
| 1308 | P | 48.9 | Very low | 46 | Very low | 86 Ų | 86 | 102.2 Ų | 102.2 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | trans | -89.8 | 22.3 | -165.4 | 37.2 | -38.9 | 0 | 0 | 0 | 115.4 | ||||
| 1309 | Y | 52.9 | Low | 48.2 | Very low | 37 Ų | 37 | 93.6 Ų | 93.6 | 15% | 0.145 | 54% | 0.542 | C | S | . | . | B | Isolated β-bridge | trans | -115.5 | 123.7 | -169.7 | -51.6 | -62.6 | 0 | 0 | 0 | 112.5 | F1307 S1311 V1371 V1447 V1449 | F1307-Y1309 PolarHBondContact O-N 3.17Å; Y1309-S1311 PolarHBondContact O-N 2.91Å; Y1309-V1371 HydrophobicContact CE1-CG2 4.06Å; Y1309-V1447 HydrophobicContact CD1-CG1 3.99Å; Y1309-V1447 HydrophobicContact CE1-CG1 4.45Å; Y1309-V1447 HydrophobicContact CG-CG1 4.44Å; Y1309-V1449 HydrophobicContact CD1-CG2 4.45Å; Y1309-V1449 HydrophobicContact CE1-CG2 4.24Å |
| 1310 | S | 44.9 | Very low | 50.6 | Low | 43 Ų | 43 | 89.5 Ų | 89.5 | 30% | 0.301 | 52% | 0.515 | S | S | . | . | trans | -92.6 | 91.4 | -175.8 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | T1448 K1455 | S1310-T1448 PolarHBondContact N-OG1 3.09Å; S1310-T1448 PolarHBondContact O-OG1 2.89Å; S1310-T1448 PolarHBondContact OG-OG1 3.21Å; S1310-K1455 PolarHBondContact OG-NZ 2.82Å | ||
| 1311 | S | 54 | Low | 53.5 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 43% | 0.434 | 48% | 0.482 | S | S | . | . | trans | 69.3 | 147.2 | -176.4 | 72.8 | 0 | 0 | 0 | 0 | 115.6 | Y1309 Y1313 | Y1309-S1311 PolarHBondContact O-N 2.91Å; S1311-Y1313 WeakPolarHBondContact OG-CE2 3.12Å | ||
| 1312 | V | 54.1 | Low | 56.1 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | trans | -133.7 | 129.6 | 174 | 175.8 | 0 | 0 | 0 | 0 | 106.9 | F1314 Y1445 D1446 | V1312-F1314 HydrophobicContact CG1-CE1 4.15Å; V1312-F1314 HydrophobicContact CG1-CE2 4.29Å; V1312-F1314 HydrophobicContact CG1-CZ 3.95Å; V1312-Y1445 HydrophobicContact CG1-CD1 3.95Å; V1312-D1446 WeakPolarHBondContact CA-O 3.18Å | ||
| 1313 | Y | 54.5 | Low | 59.1 | Low | 147 Ų | 147 | 75 Ų | 75 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | trans | -111 | 143.5 | 174.6 | -63.6 | -87 | 0 | 0 | 0 | 109.5 | S1311 D1446 | S1311-Y1313 WeakPolarHBondContact OG-CE2 3.12Å; Y1313-D1446 HydrophobicContact CD2-CB 4.33Å | ||
| 1314 | F | 55 | Low | 61.8 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 35% | 0.346 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.8 | -178.1 | -56.3 | -87.2 | 0 | 0 | 0 | 109.5 | P1299 V1312 A1393 Y1445 | P1299-F1314 HydrophobicContact CB-CD2 4.2Å; V1312-F1314 HydrophobicContact CG1-CE1 4.15Å; V1312-F1314 HydrophobicContact CG1-CE2 4.29Å; V1312-F1314 HydrophobicContact CG1-CZ 3.95Å; F1314-A1393 HydrophobicContact CD1-CB 4.11Å; F1314-A1393 HydrophobicContact CE1-CB 3.64Å; F1314-A1393 HydrophobicContact CZ-CB 4.48Å; F1314-Y1445 HydrophobicContact CD1-CD1 4.3Å; F1314-Y1445 HydrophobicContact CD1-CE1 4.15Å; F1314-Y1445 AromaticContact CE1-CD1 3.97Å; F1314-Y1445 HydrophobicContact CE1-CD1 3.97Å; F1314-Y1445 AromaticContact CE1-CE1 3.66Å; F1314-Y1445 HydrophobicContact CE1-CE1 3.66Å |
| 1315 | Q | 57.4 | Low | 64.3 | Low | 145 Ų | 145 | 64.8 Ų | 64.8 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.4 | 170.5 | -173.4 | 165.6 | -27.2 | 0 | 0 | 109.3 | S1444 | Q1315-S1444 PolarHBondContact N-O 2.92Å; Q1315-S1444 PolarHBondContact O-N 3Å |
| 1316 | H | 58 | Low | 66.7 | Low | 121 Ų | 121 | 58.6 Ų | 58.6 | 56% | 0.56 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.7 | 170.4 | -73.5 | -85.2 | 0 | 0 | 0 | 109.3 | ||
| 1317 | D | 61.4 | Low | 68.6 | Low | 73 Ų | 73 | 54.6 Ų | 54.6 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | trans | -100.4 | 160.1 | 172.1 | 178 | 42.5 | 0 | 0 | 0 | 112 | S1319 T1320 | D1317-S1319 PolarHBondContact O-N 3.37Å; D1317-S1319 VanDerWaalsContact O-N 3.17Å; D1317-S1319 WeakPolarHBondContact OD2-CB 3.32Å; D1317-S1319 PolarHBondContact OD2-N 2.94Å; D1317-S1319 PolarHBondContact OD2-OG 3.3Å; D1317-T1320 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1318 | S | 63.1 | Low | 70.1 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 57% | 0.573 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -13.5 | 171.6 | 61.5 | 0 | 0 | 0 | 0 | 116 | T1320 | S1318-T1320 VanDerWaalsContact C-N 3.29Å; S1318-T1320 PolarHBondContact O-N 2.94Å |
| 1319 | S | 72.1 | Confident | 71.5 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 16.7 | -176.6 | 55.1 | 0 | 0 | 0 | 0 | 115.9 | D1317 H1442 | D1317-S1319 PolarHBondContact O-N 3.37Å; D1317-S1319 VanDerWaalsContact O-N 3.17Å; D1317-S1319 WeakPolarHBondContact OD2-CB 3.32Å; D1317-S1319 PolarHBondContact OD2-N 2.94Å; D1317-S1319 PolarHBondContact OD2-OG 3.3Å; S1319-H1442 VanDerWaalsContact OG-CB 3.27Å; S1319-H1442 WeakPolarHBondContact OG-CB 3.49Å; S1319-H1442 PolarHBondContact OG-CD2 3.42Å |
| 1320 | T | 82.8 | Confident | 72.8 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | trans | -59.7 | 137.3 | 178.8 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | D1317 S1318 P1441 | D1317-T1320 WeakPolarHBondContact O-CG2 3.48Å; S1318-T1320 VanDerWaalsContact C-N 3.29Å; S1318-T1320 PolarHBondContact O-N 2.94Å; T1320-P1441 HydrophobicContact CG2-CB 4.32Å | ||
| 1321 | I | 89 | Confident | 74.1 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.6 | 174.3 | -64.1 | 174.2 | 0 | 0 | 0 | 109.4 | Q1440 M1467 L1471 P1603 | I1321-Q1440 HydrophobicContact CB-CB 4.26Å; I1321-Q1440 PolarHBondContact N-O 3.36Å; I1321-Q1440 PolarHBondContact O-N 3.22Å; I1321-M1467 HydrophobicContact CD1-CB 4.3Å; I1321-M1467 HydrophobicContact CD1-CE 4.49Å; I1321-L1471 HydrophobicContact CG2-CD2 3.98Å; I1321-P1603 HydrophobicContact CD1-CG 4Å |
| 1322 | R | 90.2 | Very high | 74.9 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.9 | 166.4 | -68.2 | -166.3 | -162.2 | -131.3 | -4.1 | 112.7 | E1409 E1437 I1438 H1439 P1508 | R1322-E1409 IonicContact CZ-OE2 2.98Å; R1322-E1409 IonicContact NH1-OE2 2.77Å; R1322-E1409 PolarHBondContact NH1-OE2 2.85Å; R1322-E1409 IonicContact NH2-OE2 3.31Å; R1322-E1409 PolarHBondContact NH2-OE2 3.36Å; R1322-E1437 IonicContact CZ-OE1 3.75Å; R1322-E1437 IonicContact NH1-OE1 3.47Å; R1322-E1437 PolarHBondContact NH1-OE1 3.43Å; R1322-I1438 CarbonylContact C-O 3.55Å; R1322-I1438 VanDerWaalsContact CA-O 3.22Å; R1322-I1438 WeakPolarHBondContact CA-O 3.42Å; R1322-H1439 HydrophobicContact CG-CB 4.1Å; R1322-H1439 PolarHBondContact NE-CD2 3.48Å; R1322-H1439 PolarHBondContact NH2-CE1 3.27Å; R1322-H1439 PolarHBondContact NH2-ND1 3.48Å; R1322-H1439 PolarHBondContact NH2-NE2 2.83Å; R1322-H1439 VanDerWaalsContact NH2-NE2 3.11Å; R1322-P1508 HydrophobicContact CB-CG 3.94Å |
| 1323 | R | 93.2 | Very high | 75.9 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.9 | 161.3 | -84.6 | 84.6 | -177.1 | 83.2 | 9.8 | 109.8 | I1438 L1471 I1601 A1602 D1604 | R1323-I1438 HydrophobicContact CB-CB 4.22Å; R1323-I1438 HydrophobicContact CB-CD1 4.26Å; R1323-I1438 HydrophobicContact CB-CG1 4.43Å; R1323-I1438 PolarHBondContact N-O 3.48Å; R1323-I1438 PolarHBondContact O-N 2.92Å; R1323-L1471 VanDerWaalsContact CD-CD1 3.47Å; R1323-I1601 PolarHBondContact NH1-O 3.37Å; R1323-I1601 PolarHBondContact NH2-O 3.34Å; R1323-A1602 VanDerWaalsContact NH2-CA 3.3Å; R1323-D1604 IonicContact CZ-OD1 2.73Å; R1323-D1604 IonicContact NE-OD1 2.71Å; R1323-D1604 IonicContact NH2-OD1 2.92Å; R1323-D1604 PolarHBondContact NH2-OD1 3.4Å; R1323-D1604 IonicContact NH2-OD2 3.23Å |
| 1324 | L | 92.5 | Very high | 77.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.8 | 171.3 | -56.4 | 174.6 | 0 | 0 | 0 | 108.8 | I1326 Y1412 L1417 I1435 L1436 E1437 L1506 | L1324-I1326 HydrophobicContact CB-CD1 4.19Å; L1324-Y1412 HydrophobicContact CD1-CD1 4.13Å; L1324-Y1412 HydrophobicContact CD1-CE1 3.74Å; L1324-Y1412 HydrophobicContact CD2-CE1 4.33Å; L1324-Y1412 HydrophobicContact CD2-CE2 3.84Å; L1324-L1417 HydrophobicContact CD1-CD2 4.36Å; L1324-I1435 HydrophobicContact CB-CG2 4.31Å; L1324-I1435 HydrophobicContact CD2-CG2 4.01Å; L1324-L1436 CarbonylContact C-O 3.16Å; L1324-L1436 VanDerWaalsContact CA-O 3.31Å; L1324-L1436 WeakPolarHBondContact CA-O 3.22Å; L1324-E1437 HydrophobicContact CD2-CB 4.19Å; L1324-E1437 HydrophobicContact CD2-CG 4.27Å; L1324-L1506 HydrophobicContact CB-CB 4.3Å; L1324-L1506 PolarHBondContact N-O 2.88Å; L1324-L1506 PolarHBondContact O-N 3.15Å |
| 1325 | Y | 92.5 | Very high | 78.8 | Confident | 6 Ų | 6 | 32 Ų | 32 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 105.9 | 165.3 | -72.4 | -125.8 | 0 | 0 | 0 | 107.1 | M1327 I1435 L1436 I1438 L1478 I1503 R1505 | Y1325-M1327 PolarHBondContact O-N 3Å; Y1325-I1435 WeakPolarHBondContact O-CA 3.26Å; Y1325-L1436 PolarHBondContact N-O 2.87Å; Y1325-L1436 PolarHBondContact O-N 2.88Å; Y1325-I1438 HydrophobicContact CE2-CD1 4.16Å; Y1325-L1478 HydrophobicContact CE2-CD1 4.13Å; Y1325-I1503 HydrophobicContact CD1-CG2 3.96Å; Y1325-R1505 HydrophobicContact CD1-CG 3.89Å; Y1325-R1505 HydrophobicContact CE1-CG 3.72Å; Y1325-R1505 HydrophobicContact CG-CG 4.44Å |
| 1326 | I | 90.1 | Very high | 79.9 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 106 | 172.1 | -46 | -61.8 | 0 | 0 | 0 | 106.6 | L1324 L1428 I1435 I1503 T1504 L1506 | L1324-I1326 HydrophobicContact CB-CD1 4.19Å; I1326-L1428 HydrophobicContact CB-CD2 4.44Å; I1326-L1428 HydrophobicContact CD1-CD2 3.95Å; I1326-L1428 HydrophobicContact CG1-CD2 3.74Å; I1326-L1428 HydrophobicContact CG2-CD2 4.05Å; I1326-I1435 HydrophobicContact CD1-CB 4.47Å; I1326-I1435 HydrophobicContact CD1-CD1 4.05Å; I1326-I1435 HydrophobicContact CD1-CG1 3.82Å; I1326-I1435 HydrophobicContact CD1-CG2 4.07Å; I1326-I1503 CarbonylContact O-C 3.27Å; I1326-I1503 WeakPolarHBondContact O-CA 3.37Å; I1326-T1504 PolarHBondContact N-O 2.86Å; I1326-T1504 PolarHBondContact O-N 2.77Å; I1326-L1506 HydrophobicContact CD1-CD1 4.25Å; I1326-L1506 HydrophobicContact CG1-CD1 3.71Å; I1326-L1506 HydrophobicContact CG1-CG 4.21Å |
| 1327 | M | 86.4 | Confident | 81 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.5 | 178.4 | -63.3 | -177.3 | 66.5 | 0 | 0 | 109.1 | Y1325 Y1329 F1330 S1434 L1482 I1503 | Y1325-M1327 PolarHBondContact O-N 3Å; M1327-Y1329 PolarHBondContact O-N 3.42Å; M1327-F1330 HydrophobicContact CE-CD1 4.31Å; M1327-F1330 HydrophobicContact SD-CD1 3.76Å; M1327-F1330 HydrophobicContact SD-CE1 3.59Å; M1327-F1330 VanDerWaalsContact SD-CE1 3.59Å; M1327-S1434 PolarHBondContact N-O 3.26Å; M1327-S1434 PolarHBondContact O-N 3.32Å; M1327-L1482 HydrophobicContact CE-CD2 3.75Å; M1327-I1503 HydrophobicContact CE-CD1 3.99Å; M1327-I1503 HydrophobicContact CE-CG1 4.46Å; M1327-I1503 HydrophobicContact CG-CD1 4.47Å; M1327-I1503 HydrophobicContact CG-CG1 4.21Å; M1327-I1503 HydrophobicContact CG-CG2 4.25Å |
| 1328 | V | 79.8 | Confident | 82.3 | Confident | 37 Ų | 37 | 17.6 Ų | 17.6 | 22% | 0.224 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -58 | -38.1 | 173.6 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | L1502 | V1328-L1502 HydrophobicContact CG2-CD2 4.37Å; V1328-L1502 WeakPolarHBondContact CG2-O 3.34Å; V1328-L1502 PolarHBondContact N-O 2.89Å |
| 1329 | Y | 77.4 | Confident | 83.6 | Confident | 18 Ų | 18 | 13.7 Ų | 13.7 | 7% | 0.071 | 8% | 0.076 | C | C | . | . | trans | -158.2 | 157.7 | 170 | 62.4 | -83.4 | 0 | 0 | 0 | 110.4 | I983 M1327 P1331 L1489 | I983-Y1329 HydrophobicContact CG2-CD2 3.37Å; I983-Y1329 HydrophobicContact CG2-CE2 4Å; I983-Y1329 HydrophobicContact CG2-CG 3.83Å; M1327-Y1329 PolarHBondContact O-N 3.42Å; Y1329-P1331 HydrophobicContact CE2-CB 4.18Å; Y1329-L1489 HydrophobicContact CE1-CD1 4.4Å; Y1329-L1489 HydrophobicContact CE1-CD2 3.94Å; Y1329-L1489 HydrophobicContact CE2-CD1 3.97Å | ||
| 1330 | F | 80 | Confident | 84.2 | Confident | 16 Ų | 16 | 12.9 Ų | 12.9 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 126 | 163.2 | -73.2 | -67.1 | 0 | 0 | 0 | 110.6 | M1327 F1334 W1335 E1400 L1436 | M1327-F1330 HydrophobicContact CE-CD1 4.31Å; M1327-F1330 HydrophobicContact SD-CD1 3.76Å; M1327-F1330 HydrophobicContact SD-CE1 3.59Å; M1327-F1330 VanDerWaalsContact SD-CE1 3.59Å; F1330-F1334 AromaticContact CD1-CD1 3.45Å; F1330-F1334 HydrophobicContact CD1-CD1 3.45Å; F1330-F1334 VanDerWaalsContact CD1-CD1 3.45Å; F1330-F1334 AromaticContact CD1-CE1 3.66Å; F1330-F1334 HydrophobicContact CD1-CE1 3.66Å; F1330-F1334 AromaticContact CD1-CG 3.99Å; F1330-F1334 HydrophobicContact CD1-CG 3.99Å; F1330-F1334 HydrophobicContact CD1-CZ 4.31Å; F1330-F1334 AromaticContact CE1-CD1 3.86Å; F1330-F1334 HydrophobicContact CE1-CD1 3.86Å; F1330-F1334 AromaticContact CE1-CE1 3.55Å; F1330-F1334 HydrophobicContact CE1-CE1 3.55Å; F1330-F1334 HydrophobicContact CE1-CZ 4.12Å; F1330-F1334 HydrophobicContact CG-CD1 4.34Å; F1330-W1335 HydrophobicContact CE1-CZ2 4.09Å; F1330-W1335 HydrophobicContact CE2-CZ2 4.29Å; F1330-W1335 AromaticContact CZ-CZ2 3.8Å; F1330-W1335 HydrophobicContact CZ-CZ2 3.8Å; F1330-E1400 VanDerWaalsContact CD2-CD 3.43Å; F1330-E1400 HydrophobicContact CD2-CG 4.26Å; F1330-E1400 VanDerWaalsContact CD2-OE1 3.27Å; F1330-E1400 WeakPolarHBondContact CD2-OE1 3.41Å; F1330-E1400 HydrophobicContact CE2-CB 3.89Å; F1330-E1400 HydrophobicContact CE2-CG 3.63Å; F1330-E1400 WeakPolarHBondContact CE2-OE1 3.27Å; F1330-E1400 HydrophobicContact CZ-CB 4.47Å; F1330-L1436 HydrophobicContact CE1-CB 4.07Å; F1330-L1436 HydrophobicContact CE1-CD1 4.01Å; F1330-L1436 HydrophobicContact CZ-CB 3.76Å; F1330-L1436 HydrophobicContact CZ-CD1 4.32Å; F1330-L1436 HydrophobicContact CZ-CG 4.42Å |
| 1331 | P | 73.3 | Confident | 84.3 | Confident | 8 Ų | 8 | 13.8 Ų | 13.8 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 148.5 | 173.8 | 28.4 | -31.3 | 0 | 0 | 0 | 110.6 | Y1329 G1333 F1334 Y1486 L1489 | Y1329-P1331 HydrophobicContact CE2-CB 4.18Å; P1331-G1333 PolarHBondContact O-N 3.28Å; P1331-F1334 HydrophobicContact CG-CB 4.1Å; P1331-F1334 WeakPolarHBondContact O-CB 3.25Å; P1331-F1334 PolarHBondContact O-N 2.86Å; P1331-F1334 VanDerWaalsContact O-N 3.1Å; P1331-Y1486 HydrophobicContact CB-CD1 3.63Å; P1331-Y1486 HydrophobicContact CB-CE1 3.73Å; P1331-Y1486 HydrophobicContact CB-CG 4.24Å; P1331-Y1486 HydrophobicContact CG-CD1 3.62Å; P1331-Y1486 HydrophobicContact CG-CD2 3.97Å; P1331-Y1486 HydrophobicContact CG-CE1 3.79Å; P1331-Y1486 HydrophobicContact CG-CE2 4.12Å; P1331-Y1486 HydrophobicContact CG-CG 3.72Å; P1331-L1489 HydrophobicContact CB-CD1 4.23Å; P1331-L1489 HydrophobicContact CG-CD1 3.92Å |
| 1332 | S | 70.8 | Confident | 84.2 | Confident | 30 Ų | 30 | 13.3 Ų | 13.3 | 21% | 0.21 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 139.7 | 175.6 | -157.8 | 0 | 0 | 0 | 0 | 110.4 | Q953 F1334 Y1486 | Q953-S1332 VanDerWaalsContact OE1-CB 3.3Å; Q953-S1332 PolarHBondContact OE1-OG 3.24Å; S1332-F1334 VanDerWaalsContact C-N 3.33Å; S1332-Y1486 PolarHBondContact O-OH 3.17Å |
| 1333 | G | 74.1 | Confident | 84 | Confident | 10 Ų | 10 | 12.6 Ų | 12.6 | 10% | 0.103 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -4.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1222 P1331 S1336 R1337 Y1486 | E1222-G1333 WeakPolarHBondContact OE2-CA 3.46Å; E1222-G1333 PolarHBondContact OE2-N 3.37Å; P1331-G1333 PolarHBondContact O-N 3.28Å; G1333-S1336 WeakPolarHBondContact CA-OG 3.47Å; G1333-S1336 PolarHBondContact O-OG 3.5Å; G1333-S1336 VanDerWaalsContact O-OG 3.07Å; G1333-R1337 WeakPolarHBondContact O-CB 3.18Å; G1333-R1337 PolarHBondContact O-N 2.97Å; G1333-R1337 VanDerWaalsContact O-N 3.12Å; G1333-Y1486 PolarHBondContact O-OH 2.85Å |
| 1334 | F | 84 | Confident | 83.3 | Confident | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.009 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.9 | -62.8 | -178.3 | 175.2 | -95.9 | 0 | 0 | 0 | 112.4 | F1330 P1331 S1332 S1336 R1337 F1338 L1436 L1478 L1481 L1482 Y1486 | F1330-F1334 AromaticContact CD1-CD1 3.45Å; F1330-F1334 HydrophobicContact CD1-CD1 3.45Å; F1330-F1334 VanDerWaalsContact CD1-CD1 3.45Å; F1330-F1334 AromaticContact CD1-CE1 3.66Å; F1330-F1334 HydrophobicContact CD1-CE1 3.66Å; F1330-F1334 AromaticContact CD1-CG 3.99Å; F1330-F1334 HydrophobicContact CD1-CG 3.99Å; F1330-F1334 HydrophobicContact CD1-CZ 4.31Å; F1330-F1334 AromaticContact CE1-CD1 3.86Å; F1330-F1334 HydrophobicContact CE1-CD1 3.86Å; F1330-F1334 AromaticContact CE1-CE1 3.55Å; F1330-F1334 HydrophobicContact CE1-CE1 3.55Å; F1330-F1334 HydrophobicContact CE1-CZ 4.12Å; F1330-F1334 HydrophobicContact CG-CD1 4.34Å; P1331-F1334 HydrophobicContact CG-CB 4.1Å; P1331-F1334 WeakPolarHBondContact O-CB 3.25Å; P1331-F1334 PolarHBondContact O-N 2.86Å; P1331-F1334 VanDerWaalsContact O-N 3.1Å; S1332-F1334 VanDerWaalsContact C-N 3.33Å; F1334-S1336 VanDerWaalsContact C-N 3.28Å; F1334-S1336 PolarHBondContact O-N 3.35Å; F1334-R1337 PolarHBondContact O-N 2.87Å; F1334-F1338 WeakPolarHBondContact O-CB 3.41Å; F1334-F1338 PolarHBondContact O-N 3.4Å; F1334-L1436 HydrophobicContact CE1-CD1 3.67Å; F1334-L1436 HydrophobicContact CZ-CD1 3.67Å; F1334-L1478 HydrophobicContact CE2-CD2 4.18Å; F1334-L1478 HydrophobicContact CZ-CD2 3.64Å; F1334-L1481 HydrophobicContact CD2-CD2 4.14Å; F1334-L1481 HydrophobicContact CE2-CD2 4.11Å; F1334-L1482 HydrophobicContact CD2-CD2 4.29Å; F1334-L1482 HydrophobicContact CE2-CD2 4.07Å; F1334-L1482 HydrophobicContact CE2-CG 4.45Å; F1334-Y1486 HydrophobicContact CD2-CE2 4.4Å; F1334-Y1486 PolarHBondContact N-OH 3.39Å |
| 1335 | W | 86.5 | Confident | 82.7 | Confident | 18 Ų | 18 | 14.4 Ų | 14.4 | 7% | 0.068 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -38.1 | -176.3 | -77.5 | 116.5 | 0 | 0 | 0 | 112.2 | F1330 F1338 I1339 Q1383 T1384 K1399 E1400 L1436 | F1330-W1335 HydrophobicContact CE1-CZ2 4.09Å; F1330-W1335 HydrophobicContact CE2-CZ2 4.29Å; F1330-W1335 AromaticContact CZ-CZ2 3.8Å; F1330-W1335 HydrophobicContact CZ-CZ2 3.8Å; W1335-F1338 AromaticContact CE3-CD1 3.93Å; W1335-F1338 HydrophobicContact CE3-CD1 3.93Å; W1335-F1338 AromaticContact CZ3-CD1 3.76Å; W1335-F1338 HydrophobicContact CZ3-CD1 3.76Å; W1335-F1338 HydrophobicContact CZ3-CE1 4.04Å; W1335-F1338 PolarHBondContact O-N 3.06Å; W1335-I1339 WeakPolarHBondContact O-CB 3.37Å; W1335-I1339 WeakPolarHBondContact O-CD1 3.37Å; W1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; W1335-I1339 PolarHBondContact O-N 2.96Å; W1335-Q1383 WeakPolarHBondContact CB-O 3.46Å; W1335-T1384 WeakPolarHBondContact CZ2-O 3.35Å; W1335-K1399 VanDerWaalsContact CH2-C 3.46Å; W1335-K1399 VanDerWaalsContact CH2-CA 3.48Å; W1335-E1400 HydrophobicContact CZ2-CB 3.85Å; W1335-E1400 VanDerWaalsContact CZ2-N 3.28Å; W1335-L1436 HydrophobicContact CH2-CD1 3.53Å; W1335-L1436 HydrophobicContact CH2-CG 3.8Å; W1335-L1436 HydrophobicContact CZ2-CD1 3.95Å; W1335-L1436 HydrophobicContact CZ2-CG 4.23Å; W1335-L1436 HydrophobicContact CZ3-CD1 4.24Å |
| 1336 | S | 80.5 | Confident | 82 | Confident | 12 Ų | 12 | 17.5 Ų | 17.5 | 8% | 0.084 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -47.2 | 179.1 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | G1333 F1334 T1340 | G1333-S1336 WeakPolarHBondContact CA-OG 3.47Å; G1333-S1336 PolarHBondContact O-OG 3.5Å; G1333-S1336 VanDerWaalsContact O-OG 3.07Å; F1334-S1336 VanDerWaalsContact C-N 3.28Å; F1334-S1336 PolarHBondContact O-N 3.35Å; S1336-T1340 PolarHBondContact O-N 2.63Å; S1336-T1340 VanDerWaalsContact O-N 3.1Å; S1336-T1340 PolarHBondContact O-OG1 3.01Å |
| 1337 | R | 81.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 18.7 Ų | 18.7 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 174 | -76.3 | -166.1 | 179.3 | 83.3 | 17.4 | 112.6 | E1222 G1333 F1334 T1340 R1341 L1481 W1485 Y1486 | E1222-R1337 IonicContact OE1-CZ 2.73Å; E1222-R1337 IonicContact OE1-NH1 3.83Å; E1222-R1337 PolarHBondContact OE1-NH1 3.33Å; E1222-R1337 IonicContact OE1-NH2 3.12Å; E1222-R1337 PolarHBondContact OE1-NH2 3.29Å; G1333-R1337 WeakPolarHBondContact O-CB 3.18Å; G1333-R1337 PolarHBondContact O-N 2.97Å; G1333-R1337 VanDerWaalsContact O-N 3.12Å; F1334-R1337 PolarHBondContact O-N 2.87Å; R1337-T1340 PolarHBondContact O-N 2.79Å; R1337-T1340 PolarHBondContact O-OG1 2.76Å; R1337-R1341 WeakPolarHBondContact O-CB 3.28Å; R1337-R1341 WeakPolarHBondContact O-CG 3.42Å; R1337-R1341 PolarHBondContact O-N 3.24Å; R1337-L1481 HydrophobicContact CB-CD1 3.61Å; R1337-L1481 HydrophobicContact CB-CD2 4.17Å; R1337-L1481 HydrophobicContact CG-CD1 4.28Å; R1337-W1485 VanDerWaalsContact NE-CD2 3.3Å; R1337-Y1486 PolarHBondContact NH1-OH 2.88Å |
| 1338 | F | 88.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 178.4 | 179.2 | -116 | 0 | 0 | 0 | 111 | F1334 W1335 T1340 R1341 M1342 M1386 F1398 T1474 I1477 L1478 L1481 | F1334-F1338 WeakPolarHBondContact O-CB 3.41Å; F1334-F1338 PolarHBondContact O-N 3.4Å; W1335-F1338 AromaticContact CE3-CD1 3.93Å; W1335-F1338 HydrophobicContact CE3-CD1 3.93Å; W1335-F1338 AromaticContact CZ3-CD1 3.76Å; W1335-F1338 HydrophobicContact CZ3-CD1 3.76Å; W1335-F1338 HydrophobicContact CZ3-CE1 4.04Å; W1335-F1338 PolarHBondContact O-N 3.06Å; F1338-T1340 PolarHBondContact O-N 3.22Å; F1338-R1341 PolarHBondContact O-N 3.11Å; F1338-M1342 HydrophobicContact CD2-CG 4.06Å; F1338-M1342 HydrophobicContact CE1-CG 4.13Å; F1338-M1342 HydrophobicContact CE2-CG 3.57Å; F1338-M1342 HydrophobicContact CE2-SD 3.86Å; F1338-M1342 HydrophobicContact CZ-CG 3.61Å; F1338-M1342 HydrophobicContact CZ-SD 3.98Å; F1338-M1342 WeakPolarHBondContact O-CG 3.4Å; F1338-M1342 PolarHBondContact O-N 2.99Å; F1338-M1386 HydrophobicContact CE1-SD 4.5Å; F1338-F1398 HydrophobicContact CE1-CB 3.86Å; F1338-F1398 HydrophobicContact CE1-CG 4.48Å; F1338-F1398 HydrophobicContact CZ-CB 4.25Å; F1338-F1398 HydrophobicContact CZ-CD1 4.49Å; F1338-F1398 HydrophobicContact CZ-CG 4.47Å; F1338-T1474 HydrophobicContact CE2-CG2 4.14Å; F1338-T1474 HydrophobicContact CZ-CG2 3.85Å; F1338-I1477 HydrophobicContact CD2-CG2 3.91Å; F1338-I1477 HydrophobicContact CE2-CG2 3.96Å; F1338-L1478 HydrophobicContact CD2-CD2 3.59Å; F1338-L1478 HydrophobicContact CD2-CG 4.11Å; F1338-L1478 HydrophobicContact CE2-CD1 4.43Å; F1338-L1478 HydrophobicContact CE2-CD2 3.52Å; F1338-L1478 HydrophobicContact CE2-CG 3.62Å; F1338-L1478 HydrophobicContact CG-CD2 4.21Å; F1338-L1478 HydrophobicContact CZ-CD2 4.05Å; F1338-L1478 HydrophobicContact CZ-CG 4.23Å; F1338-L1481 HydrophobicContact CB-CD2 3.76Å |
| 1339 | I | 89.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 175.5 | -69.1 | 162.4 | 0 | 0 | 0 | 110.8 | L1233 L1238 W1335 R1341 M1342 L1343 L1381 M1386 | L1233-I1339 HydrophobicContact CD2-CB 4.27Å; L1233-I1339 HydrophobicContact CD2-CG2 3.66Å; L1238-I1339 HydrophobicContact CD1-CD1 4.38Å; W1335-I1339 WeakPolarHBondContact O-CB 3.37Å; W1335-I1339 WeakPolarHBondContact O-CD1 3.37Å; W1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; W1335-I1339 PolarHBondContact O-N 2.96Å; I1339-R1341 VanDerWaalsContact C-N 3.34Å; I1339-R1341 PolarHBondContact O-N 3.34Å; I1339-M1342 PolarHBondContact O-N 3.27Å; I1339-L1343 HydrophobicContact CG2-CD1 3.78Å; I1339-L1343 HydrophobicContact CG2-CG 4.34Å; I1339-L1343 WeakPolarHBondContact O-CB 3.46Å; I1339-L1343 VanDerWaalsContact O-CG 3.29Å; I1339-L1343 WeakPolarHBondContact O-CG 3.48Å; I1339-L1343 PolarHBondContact O-N 3.31Å; I1339-L1381 HydrophobicContact CG2-CD1 4.29Å; I1339-L1381 HydrophobicContact CG2-CD2 4.1Å; I1339-M1386 HydrophobicContact CB-CE 4.21Å; I1339-M1386 HydrophobicContact CG1-CE 4.1Å; I1339-M1386 HydrophobicContact CG2-CE 4.03Å |
| 1340 | T | 85.1 | Confident | 81.5 | Confident | 18 Ų | 18 | 20.6 Ų | 20.6 | 11% | 0.11 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.1 | -26.9 | -179.5 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | L1225 W1227 L1233 S1336 R1337 F1338 G1344 | L1225-T1340 HydrophobicContact CB-CG2 3.64Å; L1225-T1340 HydrophobicContact CD1-CG2 4.14Å; W1227-T1340 HydrophobicContact CB-CG2 4.37Å; L1233-T1340 HydrophobicContact CB-CG2 4.25Å; L1233-T1340 HydrophobicContact CD2-CG2 3.85Å; S1336-T1340 PolarHBondContact O-N 2.63Å; S1336-T1340 VanDerWaalsContact O-N 3.1Å; S1336-T1340 PolarHBondContact O-OG1 3.01Å; R1337-T1340 PolarHBondContact O-N 2.79Å; R1337-T1340 PolarHBondContact O-OG1 2.76Å; F1338-T1340 PolarHBondContact O-N 3.22Å; T1340-G1344 PolarHBondContact O-N 2.9Å; T1340-G1344 VanDerWaalsContact O-N 3.12Å |
| 1341 | R | 84.9 | Confident | 81.8 | Confident | 38 Ų | 38 | 20.6 Ų | 20.6 | 14% | 0.143 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.9 | -46.5 | 171 | -78.7 | -175.7 | 166.6 | -161.7 | -5.9 | 111.3 | R1337 F1338 I1339 L1343 G1344 D1345 I1477 T1480 L1481 D1484 | R1337-R1341 WeakPolarHBondContact O-CB 3.28Å; R1337-R1341 WeakPolarHBondContact O-CG 3.42Å; R1337-R1341 PolarHBondContact O-N 3.24Å; F1338-R1341 PolarHBondContact O-N 3.11Å; I1339-R1341 VanDerWaalsContact C-N 3.34Å; I1339-R1341 PolarHBondContact O-N 3.34Å; R1341-L1343 VanDerWaalsContact C-N 3.31Å; R1341-L1343 PolarHBondContact O-N 3.35Å; R1341-G1344 PolarHBondContact O-N 2.88Å; R1341-G1344 VanDerWaalsContact O-N 3.13Å; R1341-D1345 PolarHBondContact O-N 3.5Å; R1341-I1477 HydrophobicContact CB-CG2 3.66Å; R1341-T1480 PolarHBondContact NH1-OG1 2.96Å; R1341-T1480 VanDerWaalsContact NH1-OG1 3.14Å; R1341-L1481 VanDerWaalsContact NH1-CA 3.28Å; R1341-L1481 VanDerWaalsContact NH1-N 3.12Å; R1341-D1484 IonicContact NH2-OD2 2.71Å |
| 1342 | M | 88 | Confident | 82.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -33.8 | 176.8 | -71 | -64.7 | -66.3 | 0 | 0 | 113.2 | F1338 I1339 V1348 W1379 M1386 F1398 T1474 I1477 | F1338-M1342 HydrophobicContact CD2-CG 4.06Å; F1338-M1342 HydrophobicContact CE1-CG 4.13Å; F1338-M1342 HydrophobicContact CE2-CG 3.57Å; F1338-M1342 HydrophobicContact CE2-SD 3.86Å; F1338-M1342 HydrophobicContact CZ-CG 3.61Å; F1338-M1342 HydrophobicContact CZ-SD 3.98Å; F1338-M1342 WeakPolarHBondContact O-CG 3.4Å; F1338-M1342 PolarHBondContact O-N 2.99Å; I1339-M1342 PolarHBondContact O-N 3.27Å; M1342-V1348 HydrophobicContact CE-CG1 4.24Å; M1342-V1348 HydrophobicContact CE-CG2 4.34Å; M1342-V1348 HydrophobicContact SD-CG2 4.43Å; M1342-W1379 HydrophobicContact CE-CH2 4.17Å; M1342-M1386 HydrophobicContact CB-CE 3.78Å; M1342-M1386 HydrophobicContact CB-SD 3.85Å; M1342-M1386 HydrophobicContact CG-SD 4.03Å; M1342-F1398 HydrophobicContact CE-CE1 4.36Å; M1342-F1398 HydrophobicContact CE-CE2 4.17Å; M1342-F1398 HydrophobicContact CE-CZ 3.98Å; M1342-T1474 HydrophobicContact CE-CG2 4.34Å; M1342-T1474 HydrophobicContact SD-CG2 4.22Å; M1342-I1477 HydrophobicContact CG-CG2 4.46Å; M1342-I1477 HydrophobicContact SD-CB 4.45Å; M1342-I1477 HydrophobicContact SD-CD1 3.66Å; M1342-I1477 HydrophobicContact SD-CG2 4.24Å |
| 1343 | L | 85.5 | Confident | 82.6 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -78.1 | -22 | 174.5 | -68.6 | 176.3 | 0 | 0 | 0 | 113.7 | W1227 V1255 I1339 R1341 H1349 W1379 L1381 M1386 | W1227-L1343 HydrophobicContact CB-CB 3.97Å; W1227-L1343 HydrophobicContact CD2-CD1 4.08Å; W1227-L1343 HydrophobicContact CE3-CD1 4.09Å; W1227-L1343 HydrophobicContact CG-CB 3.98Å; W1227-L1343 HydrophobicContact CG-CD1 4.38Å; V1255-L1343 HydrophobicContact CG1-CD2 4.35Å; I1339-L1343 HydrophobicContact CG2-CD1 3.78Å; I1339-L1343 HydrophobicContact CG2-CG 4.34Å; I1339-L1343 WeakPolarHBondContact O-CB 3.46Å; I1339-L1343 VanDerWaalsContact O-CG 3.29Å; I1339-L1343 WeakPolarHBondContact O-CG 3.48Å; I1339-L1343 PolarHBondContact O-N 3.31Å; R1341-L1343 VanDerWaalsContact C-N 3.31Å; R1341-L1343 PolarHBondContact O-N 3.35Å; L1343-H1349 PolarHBondContact O-CE1 3.47Å; L1343-H1349 PolarHBondContact O-NE2 3.36Å; L1343-W1379 HydrophobicContact CD2-CB 4.3Å; L1343-W1379 VanDerWaalsContact CD2-CD1 3.48Å; L1343-W1379 HydrophobicContact CD2-CD2 4.31Å; L1343-W1379 HydrophobicContact CD2-CG 3.8Å; L1343-L1381 HydrophobicContact CD1-CD1 4.09Å; L1343-M1386 HydrophobicContact CG-CE 4.43Å |
| 1344 | G | 78.8 | Confident | 82.9 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 17% | 0.165 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -108.1 | -1.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | T1340 R1341 | T1340-G1344 PolarHBondContact O-N 2.9Å; T1340-G1344 VanDerWaalsContact O-N 3.12Å; R1341-G1344 PolarHBondContact O-N 2.88Å; R1341-G1344 VanDerWaalsContact O-N 3.13Å |
| 1345 | D | 79.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 27.8 Ų | 27.8 | 18% | 0.176 | 15% | 0.145 | C | C | . | . | trans | -93.9 | 112.4 | 176.1 | -168.9 | -26.7 | 0 | 0 | 0 | 110.5 | R1341 K1347 V1348 I1477 | R1341-D1345 PolarHBondContact O-N 3.5Å; D1345-K1347 PolarHBondContact O-N 3.23Å; D1345-K1347 VanDerWaalsContact O-N 3.13Å; D1345-K1347 WeakPolarHBondContact OD1-CB 3.3Å; D1345-K1347 WeakPolarHBondContact OD1-CG 3.45Å; D1345-K1347 PolarHBondContact OD1-N 3.12Å; D1345-K1347 IonicContact OD2-NZ 3.63Å; D1345-V1348 HydrophobicContact CB-CG2 4.18Å; D1345-V1348 WeakPolarHBondContact O-CB 3.43Å; D1345-V1348 PolarHBondContact O-N 3.28Å; D1345-I1477 HydrophobicContact CB-CD1 4.11Å | ||
| 1346 | D | 76.2 | Confident | 82.8 | Confident | 71 Ų | 71 | 28 Ų | 28 | 38% | 0.38 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -53.9 | -30.8 | 176.7 | -74.3 | -73.6 | 0 | 0 | 0 | 112.5 | K1260 V1348 H1349 D1350 | K1260-D1346 IonicContact NZ-OD1 2.75Å; K1260-D1346 PolarHBondContact NZ-OD1 3.18Å; D1346-V1348 PolarHBondContact O-N 2.97Å; D1346-H1349 PolarHBondContact O-N 3Å; D1346-H1349 VanDerWaalsContact O-N 3.11Å; D1346-D1350 PolarHBondContact O-N 3.2Å |
| 1347 | K | 78 | Confident | 82.8 | Confident | 31 Ų | 31 | 30.9 Ų | 30.9 | 14% | 0.135 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54 | -42.8 | 175.1 | -63.5 | 168.2 | -172.2 | 160.2 | 0 | 111.4 | D1345 H1349 D1350 I1351 E1476 | D1345-K1347 PolarHBondContact O-N 3.23Å; D1345-K1347 VanDerWaalsContact O-N 3.13Å; D1345-K1347 WeakPolarHBondContact OD1-CB 3.3Å; D1345-K1347 WeakPolarHBondContact OD1-CG 3.45Å; D1345-K1347 PolarHBondContact OD1-N 3.12Å; D1345-K1347 IonicContact OD2-NZ 3.63Å; K1347-H1349 VanDerWaalsContact C-N 3.3Å; K1347-H1349 PolarHBondContact O-N 3.17Å; K1347-D1350 PolarHBondContact O-N 2.83Å; K1347-I1351 WeakPolarHBondContact O-CD1 3.43Å; K1347-I1351 WeakPolarHBondContact O-CG1 3.45Å; K1347-I1351 PolarHBondContact O-N 3.23Å; K1347-I1351 VanDerWaalsContact O-N 3.15Å; K1347-E1476 IonicContact NZ-OE1 3.99Å; K1347-E1476 PolarHBondContact NZ-OE1 3.44Å; K1347-E1476 IonicContact NZ-OE2 3.1Å; K1347-E1476 PolarHBondContact NZ-OE2 2.89Å |
| 1348 | V | 84.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.3 | -36.9 | -175.7 | 175.8 | 0 | 0 | 0 | 0 | 110 | M1342 D1345 D1346 F1352 W1379 L1470 I1477 | M1342-V1348 HydrophobicContact CE-CG1 4.24Å; M1342-V1348 HydrophobicContact CE-CG2 4.34Å; M1342-V1348 HydrophobicContact SD-CG2 4.43Å; D1345-V1348 HydrophobicContact CB-CG2 4.18Å; D1345-V1348 WeakPolarHBondContact O-CB 3.43Å; D1345-V1348 PolarHBondContact O-N 3.28Å; D1346-V1348 PolarHBondContact O-N 2.97Å; V1348-F1352 HydrophobicContact CG1-CE2 3.92Å; V1348-F1352 WeakPolarHBondContact O-CD2 3.49Å; V1348-F1352 WeakPolarHBondContact O-CE2 3.38Å; V1348-W1379 HydrophobicContact CG1-CH2 4.43Å; V1348-W1379 HydrophobicContact CG1-CZ2 3.87Å; V1348-L1470 HydrophobicContact CG1-CD1 4.08Å; V1348-I1477 HydrophobicContact CG2-CD1 3.99Å |
| 1349 | H | 80.3 | Confident | 81.7 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.2 | -47.8 | 176.2 | -58.4 | -48.2 | 0 | 0 | 0 | 112 | V1257 L1343 D1346 K1347 I1351 F1352 | V1257-H1349 PolarHBondContact O-CE1 3.2Å; V1257-H1349 VanDerWaalsContact O-CE1 3.25Å; V1257-H1349 PolarHBondContact O-ND1 2.84Å; V1257-H1349 VanDerWaalsContact O-ND1 3.13Å; L1343-H1349 PolarHBondContact O-CE1 3.47Å; L1343-H1349 PolarHBondContact O-NE2 3.36Å; D1346-H1349 PolarHBondContact O-N 3Å; D1346-H1349 VanDerWaalsContact O-N 3.11Å; K1347-H1349 VanDerWaalsContact C-N 3.3Å; K1347-H1349 PolarHBondContact O-N 3.17Å; H1349-I1351 PolarHBondContact O-N 3.28Å; H1349-F1352 PolarHBondContact O-N 2.96Å |
| 1350 | D | 80.9 | Confident | 80.4 | Confident | 77 Ų | 77 | 40.6 Ų | 40.6 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54 | -37.3 | 177.5 | -61.7 | -21.6 | 0 | 0 | 0 | 111.8 | D1346 K1347 F1352 E1353 K1707 | D1346-D1350 PolarHBondContact O-N 3.2Å; K1347-D1350 PolarHBondContact O-N 2.83Å; D1350-F1352 VanDerWaalsContact C-N 3.34Å; D1350-F1352 PolarHBondContact O-N 3.11Å; D1350-E1353 PolarHBondContact O-N 3.03Å; D1350-K1707 IonicContact OD2-NZ 3.69Å |
| 1351 | I | 85.8 | Confident | 79.1 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.5 | -31.8 | -179.3 | -69.7 | 159.3 | 0 | 0 | 0 | 112.3 | K1347 H1349 E1353 S1354 Y1355 A1466 R1469 L1470 A1473 | K1347-I1351 WeakPolarHBondContact O-CD1 3.43Å; K1347-I1351 WeakPolarHBondContact O-CG1 3.45Å; K1347-I1351 PolarHBondContact O-N 3.23Å; K1347-I1351 VanDerWaalsContact O-N 3.15Å; H1349-I1351 PolarHBondContact O-N 3.28Å; I1351-E1353 VanDerWaalsContact C-N 3.28Å; I1351-E1353 PolarHBondContact O-N 3.47Å; I1351-S1354 PolarHBondContact O-N 2.95Å; I1351-S1354 PolarHBondContact O-OG 3.09Å; I1351-Y1355 HydrophobicContact CG2-CD2 4.23Å; I1351-Y1355 PolarHBondContact O-N 2.95Å; I1351-A1466 HydrophobicContact CG2-CB 4.39Å; I1351-A1466 WeakPolarHBondContact CG2-O 3.25Å; I1351-R1469 HydrophobicContact CD1-CB 3.74Å; I1351-R1469 HydrophobicContact CG1-CB 3.88Å; I1351-R1469 HydrophobicContact CG2-CB 4.28Å; I1351-L1470 HydrophobicContact CG2-CB 4.02Å; I1351-A1473 HydrophobicContact CD1-CB 4.34Å |
| 1352 | F | 83.7 | Confident | 77.7 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -22 | -179.2 | -74.8 | -64.5 | 0 | 0 | 0 | 113.6 | V1257 V1348 H1349 D1350 S1354 Y1355 L1377 W1379 V1388 L1470 | V1257-F1352 HydrophobicContact CG1-CB 4.28Å; V1257-F1352 HydrophobicContact CG1-CD2 3.66Å; V1257-F1352 HydrophobicContact CG1-CE2 4.42Å; V1257-F1352 HydrophobicContact CG1-CG 4.21Å; V1348-F1352 HydrophobicContact CG1-CE2 3.92Å; V1348-F1352 WeakPolarHBondContact O-CD2 3.49Å; V1348-F1352 WeakPolarHBondContact O-CE2 3.38Å; H1349-F1352 PolarHBondContact O-N 2.96Å; D1350-F1352 VanDerWaalsContact C-N 3.34Å; D1350-F1352 PolarHBondContact O-N 3.11Å; F1352-S1354 PolarHBondContact O-N 3.48Å; F1352-Y1355 HydrophobicContact CD1-CD2 4.07Å; F1352-Y1355 HydrophobicContact CD1-CG 4.15Å; F1352-Y1355 HydrophobicContact CE1-CD2 4.11Å; F1352-Y1355 HydrophobicContact CE1-CE2 4.19Å; F1352-Y1355 HydrophobicContact CE1-CG 4.45Å; F1352-L1377 HydrophobicContact CB-CD1 4.47Å; F1352-L1377 HydrophobicContact CD1-CD2 4.41Å; F1352-W1379 HydrophobicContact CE2-CH2 4.33Å; F1352-W1379 AromaticContact CE2-CZ2 3.85Å; F1352-W1379 HydrophobicContact CE2-CZ2 3.85Å; F1352-W1379 HydrophobicContact CZ-CH2 4.41Å; F1352-W1379 HydrophobicContact CZ-CZ2 4.34Å; F1352-V1388 HydrophobicContact CE1-CG1 4.01Å; F1352-V1388 HydrophobicContact CE1-CG2 4.06Å; F1352-V1388 HydrophobicContact CZ-CB 4.29Å; F1352-V1388 HydrophobicContact CZ-CG1 3.77Å; F1352-V1388 HydrophobicContact CZ-CG2 4.11Å; F1352-L1470 HydrophobicContact CE1-CD2 4.02Å; F1352-L1470 HydrophobicContact CE2-CD1 4.27Å; F1352-L1470 HydrophobicContact CZ-CD1 4.04Å; F1352-L1470 HydrophobicContact CZ-CD2 3.71Å |
| 1353 | E | 77.1 | Confident | 76.2 | Confident | 140 Ų | 140 | 49 Ų | 49 | 65% | 0.654 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -16.9 | 174.3 | -56.6 | -170.3 | 168.1 | 0 | 0 | 112.7 | N1258 D1350 I1351 | N1258-E1353 PolarHBondContact ND2-OE1 3.22Å; D1350-E1353 PolarHBondContact O-N 3.03Å; I1351-E1353 VanDerWaalsContact C-N 3.28Å; I1351-E1353 PolarHBondContact O-N 3.47Å |
| 1354 | S | 81.1 | Confident | 75 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 18.3 | 179.2 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | I1351 F1352 F1356 A1466 | I1351-S1354 PolarHBondContact O-N 2.95Å; I1351-S1354 PolarHBondContact O-OG 3.09Å; F1352-S1354 PolarHBondContact O-N 3.48Å; S1354-F1356 VanDerWaalsContact C-N 3.28Å; S1354-F1356 PolarHBondContact O-N 2.89Å; S1354-A1466 VanDerWaalsContact O-CB 3.3Å; S1354-A1466 WeakPolarHBondContact O-CB 3.13Å |
| 1355 | Y | 84.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -75.3 | -11.2 | -173.3 | -153.9 | -98 | 0 | 0 | 0 | 114.9 | I1351 F1352 L1395 T1462 N1463 A1466 M1467 L1470 | I1351-Y1355 HydrophobicContact CG2-CD2 4.23Å; I1351-Y1355 PolarHBondContact O-N 2.95Å; F1352-Y1355 HydrophobicContact CD1-CD2 4.07Å; F1352-Y1355 HydrophobicContact CD1-CG 4.15Å; F1352-Y1355 HydrophobicContact CE1-CD2 4.11Å; F1352-Y1355 HydrophobicContact CE1-CE2 4.19Å; F1352-Y1355 HydrophobicContact CE1-CG 4.45Å; Y1355-L1395 HydrophobicContact CD1-CD1 4.05Å; Y1355-L1395 HydrophobicContact CE1-CB 3.88Å; Y1355-L1395 HydrophobicContact CE1-CD1 4.17Å; Y1355-L1395 HydrophobicContact CE1-CG 4.44Å; Y1355-L1395 PolarHBondContact OH-O 3.13Å; Y1355-L1395 VanDerWaalsContact OH-O 3.13Å; Y1355-T1462 HydrophobicContact CD1-CG2 4.13Å; Y1355-T1462 HydrophobicContact CE1-CG2 3.87Å; Y1355-T1462 CarbonylContact O-C 3.57Å; Y1355-T1462 WeakPolarHBondContact O-CA 3.38Å; Y1355-N1463 PolarHBondContact O-N 3.12Å; Y1355-A1466 HydrophobicContact CD2-CB 4.17Å; Y1355-M1467 HydrophobicContact CE1-CG 4.4Å; Y1355-M1467 HydrophobicContact CE2-CG 4.24Å; Y1355-L1470 HydrophobicContact CE2-CB 4.27Å; Y1355-L1470 HydrophobicContact CE2-CD2 3.69Å |
| 1356 | F | 83.4 | Confident | 73.3 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.3 | -177.5 | -65.4 | -83.3 | 0 | 0 | 0 | 111.8 | S1354 F1372 F1390 L1395 Y1445 L1460 C1461 T1462 | S1354-F1356 VanDerWaalsContact C-N 3.28Å; S1354-F1356 PolarHBondContact O-N 2.89Å; F1356-F1372 HydrophobicContact CB-CZ 4.17Å; F1356-F1372 AromaticContact CD2-CE1 3.69Å; F1356-F1372 HydrophobicContact CD2-CE1 3.69Å; F1356-F1372 HydrophobicContact CD2-CZ 4.07Å; F1356-F1372 HydrophobicContact CE2-CE1 4.22Å; F1356-F1372 HydrophobicContact CG-CE1 4.42Å; F1356-F1372 HydrophobicContact CG-CZ 4.36Å; F1356-F1390 HydrophobicContact CE1-CD1 4.44Å; F1356-F1390 HydrophobicContact CE1-CE1 4.45Å; F1356-F1390 HydrophobicContact CE2-CD1 4.03Å; F1356-F1390 HydrophobicContact CE2-CE1 4.07Å; F1356-F1390 AromaticContact CZ-CD1 3.59Å; F1356-F1390 HydrophobicContact CZ-CD1 3.59Å; F1356-F1390 AromaticContact CZ-CE1 3.83Å; F1356-F1390 HydrophobicContact CZ-CE1 3.83Å; F1356-F1390 HydrophobicContact CZ-CG 4.36Å; F1356-L1395 HydrophobicContact CE1-CD2 4.36Å; F1356-L1395 HydrophobicContact CE2-CD1 3.93Å; F1356-L1395 HydrophobicContact CZ-CD1 3.76Å; F1356-L1395 HydrophobicContact CZ-CD2 3.7Å; F1356-L1395 HydrophobicContact CZ-CG 4.4Å; F1356-Y1445 HydrophobicContact CE1-CD2 4.01Å; F1356-Y1445 AromaticContact CE1-CE2 3.75Å; F1356-Y1445 HydrophobicContact CE1-CE2 3.75Å; F1356-Y1445 HydrophobicContact CZ-CE2 4.25Å; F1356-L1460 HydrophobicContact CD1-CB 4.12Å; F1356-C1461 CarbonylContact C-O 3.59Å; F1356-C1461 WeakPolarHBondContact CA-O 3.36Å; F1356-T1462 HydrophobicContact CD1-CG2 4.13Å; F1356-T1462 HydrophobicContact CE1-CG2 3.7Å; F1356-T1462 HydrophobicContact CZ-CG2 4.42Å |
| 1357 | D | 80.9 | Confident | 72.6 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 139.4 | 163.7 | -61.8 | -49.2 | 0 | 0 | 0 | 109.1 | L1460 C1461 N1463 | D1357-L1460 WeakPolarHBondContact O-CA 3.3Å; D1357-C1461 PolarHBondContact N-O 2.87Å; D1357-C1461 PolarHBondContact O-N 3.05Å; D1357-N1463 VanDerWaalsContact CG-ND2 3.31Å; D1357-N1463 PolarHBondContact OD1-ND2 2.76Å; D1357-N1463 VanDerWaalsContact OD2-CA 3.25Å; D1357-N1463 WeakPolarHBondContact OD2-CA 3.42Å; D1357-N1463 WeakPolarHBondContact OD2-CB 3.5Å; D1357-N1463 PolarHBondContact OD2-ND2 3.25Å; D1357-N1463 VanDerWaalsContact OD2-ND2 3.14Å |
| 1358 | V | 76.4 | Confident | 71.9 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 99.8 | -176.8 | -174 | 0 | 0 | 0 | 0 | 110 | C1360 V1368 H1458 L1460 | V1358-C1360 PolarHBondContact O-N 2.81Å; V1358-V1368 HydrophobicContact CG1-CG1 4.25Å; V1358-V1368 HydrophobicContact CG1-CG2 4.13Å; V1358-V1368 HydrophobicContact CG2-CG1 4.29Å; V1358-H1458 HydrophobicContact CG1-CB 4.46Å; V1358-L1460 HydrophobicContact CB-CD2 4.32Å; V1358-L1460 HydrophobicContact CG1-CD2 4.06Å; V1358-L1460 HydrophobicContact CG2-CD2 3.83Å |
| 1359 | E | 70.7 | Confident | 70.9 | Confident | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 103 | 171.3 | -68.6 | -173.6 | 173.1 | 0 | 0 | 109.7 | T1459 | E1359-T1459 PolarHBondContact N-O 3.05Å; E1359-T1459 PolarHBondContact O-N 3.1Å |
| 1360 | C | 62.4 | Low | 70 | Confident | 47 Ų | 47 | 60 Ų | 60 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.7 | 179.3 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | V1358 A1362 G1363 H1458 | V1358-C1360 PolarHBondContact O-N 2.81Å; C1360-A1362 VanDerWaalsContact SG-C 3.58Å; C1360-G1363 PolarHBondContact SG-N 2.68Å; C1360-G1363 PolarHBondContact SG-O 2.76Å; C1360-H1458 PolarHBondContact SG-CE1 3.31Å |
| 1361 | T | 57.1 | Low | 69.1 | Low | 111 Ų | 111 | 56.4 Ų | 56.4 | 68% | 0.681 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -78.2 | -22.6 | 179.3 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | R1457 | T1361-R1457 PolarHBondContact OG1-O 2.87Š|
| 1362 | A | 55.2 | Low | 68.1 | Low | 74 Ų | 74 | 59.2 Ų | 59.2 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -173.7 | 117.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C1360 | C1360-A1362 VanDerWaalsContact SG-C 3.58Š|
| 1363 | G | 57 | Low | 66.9 | Low | 48 Ų | 48 | 65.3 Ų | 65.3 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 153 | 169.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1360 | C1360-G1363 PolarHBondContact SG-N 2.68Å; C1360-G1363 PolarHBondContact SG-O 2.76Å |
| 1364 | D | 60.6 | Low | 65.8 | Low | 101 Ų | 101 | 61 Ų | 61 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | trans | -80.6 | 120.7 | 172 | 175.2 | 6.3 | 0 | 0 | 0 | 110.1 | S1366 S1367 H1458 | D1364-S1366 PolarHBondContact O-N 2.86Å; D1364-S1366 VanDerWaalsContact OD1-CB 3.31Å; D1364-S1366 WeakPolarHBondContact OD1-CB 3.37Å; D1364-S1366 PolarHBondContact OD1-N 2.57Å; D1364-S1366 PolarHBondContact OD1-OG 3.36Å; D1364-S1366 PolarHBondContact OD2-OG 2.95Å; D1364-S1367 PolarHBondContact O-N 3.23Å; D1364-S1367 PolarHBondContact O-OG 2.68Å; D1364-H1458 PolarHBondContact O-CE1 2.94Å; D1364-H1458 VanDerWaalsContact O-CE1 3.32Å | ||
| 1365 | P | 59.7 | Low | 64.7 | Low | 83 Ų | 83 | 64 Ų | 64 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -63 | -18.9 | 179.2 | 26.9 | -35.7 | 0 | 0 | 0 | 113.8 | S1367 V1368 | P1365-S1367 PolarHBondContact O-N 3.25Å; P1365-S1367 VanDerWaalsContact O-N 3.13Å; P1365-V1368 PolarHBondContact O-N 2.95Å; P1365-V1368 VanDerWaalsContact O-N 3.11Å |
| 1366 | S | 63.4 | Low | 63.9 | Low | 85 Ų | 85 | 65.2 Ų | 65.2 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -55.4 | -32.2 | 177.4 | 78.5 | 0 | 0 | 0 | 0 | 112.9 | D1364 V1368 G1369 | D1364-S1366 PolarHBondContact O-N 2.86Å; D1364-S1366 VanDerWaalsContact OD1-CB 3.31Å; D1364-S1366 WeakPolarHBondContact OD1-CB 3.37Å; D1364-S1366 PolarHBondContact OD1-N 2.57Å; D1364-S1366 PolarHBondContact OD1-OG 3.36Å; D1364-S1366 PolarHBondContact OD2-OG 2.95Å; S1366-V1368 PolarHBondContact O-N 3.17Å; S1366-G1369 PolarHBondContact O-N 3.02Å |
| 1367 | S | 61.5 | Low | 63.7 | Low | 39 Ų | 39 | 65.6 Ų | 65.6 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -62.8 | -26.4 | -179.4 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | D1364 P1365 S1370 H1458 | D1364-S1367 PolarHBondContact O-N 3.23Å; D1364-S1367 PolarHBondContact O-OG 2.68Å; P1365-S1367 PolarHBondContact O-N 3.25Å; P1365-S1367 VanDerWaalsContact O-N 3.13Å; S1367-S1370 PolarHBondContact O-OG 3.08Å; S1367-H1458 PolarHBondContact OG-NE2 3Å |
| 1368 | V | 63.9 | Low | 63.9 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -77.7 | -23.7 | -174 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | V1358 P1365 S1366 S1370 V1371 F1372 H1458 L1460 | V1358-V1368 HydrophobicContact CG1-CG1 4.25Å; V1358-V1368 HydrophobicContact CG1-CG2 4.13Å; V1358-V1368 HydrophobicContact CG2-CG1 4.29Å; P1365-V1368 PolarHBondContact O-N 2.95Å; P1365-V1368 VanDerWaalsContact O-N 3.11Å; S1366-V1368 PolarHBondContact O-N 3.17Å; V1368-S1370 PolarHBondContact O-N 2.73Å; V1368-S1370 VanDerWaalsContact O-N 3.13Å; V1368-V1371 HydrophobicContact CG1-CG2 4.41Å; V1368-V1371 VanDerWaalsContact O-CB 3.28Å; V1368-V1371 WeakPolarHBondContact O-CB 3.48Å; V1368-V1371 WeakPolarHBondContact O-CG2 3.15Å; V1368-V1371 PolarHBondContact O-N 2.93Å; V1368-F1372 HydrophobicContact CG1-CE2 4.15Å; V1368-H1458 HydrophobicContact CG2-CB 4.27Å; V1368-L1460 HydrophobicContact CG1-CD2 3.94Å |
| 1369 | G | 63.4 | Low | 64.5 | Low | 35 Ų | 35 | 60.7 Ų | 60.7 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.5 | -36 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1366 V1371 F1372 D1373 | S1366-G1369 PolarHBondContact O-N 3.02Å; G1369-V1371 PolarHBondContact O-N 3.15Å; G1369-F1372 PolarHBondContact O-N 3.25Å; G1369-D1373 PolarHBondContact O-N 3.15Å |
| 1370 | S | 61.6 | Low | 65.4 | Low | 61 Ų | 61 | 55 Ų | 55 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -19.8 | 176.6 | 68.1 | 0 | 0 | 0 | 0 | 115 | S1367 V1368 | S1367-S1370 PolarHBondContact O-OG 3.08Å; V1368-S1370 PolarHBondContact O-N 2.73Å; V1368-S1370 VanDerWaalsContact O-N 3.13Å |
| 1371 | V | 62.4 | Low | 66.7 | Low | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.5 | -34.3 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | Y1309 V1368 G1369 F1390 | Y1309-V1371 HydrophobicContact CE1-CG2 4.06Å; V1368-V1371 HydrophobicContact CG1-CG2 4.41Å; V1368-V1371 VanDerWaalsContact O-CB 3.28Å; V1368-V1371 WeakPolarHBondContact O-CB 3.48Å; V1368-V1371 WeakPolarHBondContact O-CG2 3.15Å; V1368-V1371 PolarHBondContact O-N 2.93Å; G1369-V1371 PolarHBondContact O-N 3.15Å; V1371-F1390 HydrophobicContact CG1-CZ 4.16Å |
| 1372 | F | 64.3 | Low | 68.3 | Low | 75 Ų | 75 | 47.5 Ų | 47.5 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -90.4 | -26.5 | -176.4 | -61.1 | -72.4 | 0 | 0 | 0 | 113.6 | F1356 V1368 G1369 S1374 F1390 L1460 | F1356-F1372 HydrophobicContact CB-CZ 4.17Å; F1356-F1372 AromaticContact CD2-CE1 3.69Å; F1356-F1372 HydrophobicContact CD2-CE1 3.69Å; F1356-F1372 HydrophobicContact CD2-CZ 4.07Å; F1356-F1372 HydrophobicContact CE2-CE1 4.22Å; F1356-F1372 HydrophobicContact CG-CE1 4.42Å; F1356-F1372 HydrophobicContact CG-CZ 4.36Å; V1368-F1372 HydrophobicContact CG1-CE2 4.15Å; G1369-F1372 PolarHBondContact O-N 3.25Å; F1372-S1374 PolarHBondContact O-N 2.98Å; F1372-S1374 VanDerWaalsContact O-N 3.09Å; F1372-F1390 HydrophobicContact CE1-CZ 4.12Å; F1372-L1460 HydrophobicContact CZ-CD1 4.35Å |
| 1373 | D | 58.2 | Low | 69.7 | Low | 137 Ų | 137 | 47.6 Ų | 47.6 | 73% | 0.733 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -62.9 | -13.2 | 178 | -76.2 | -40.1 | 0 | 0 | 0 | 115 | G1369 | G1369-D1373 PolarHBondContact O-N 3.15Š|
| 1374 | S | 54.1 | Low | 71.1 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -102.1 | 148.5 | 179.9 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | F1372 L1376 | F1372-S1374 PolarHBondContact O-N 2.98Å; F1372-S1374 VanDerWaalsContact O-N 3.09Å; S1374-L1376 PolarHBondContact O-N 3.09Å; S1374-L1376 WeakPolarHBondContact OG-CD1 3.44Å; S1374-L1376 WeakPolarHBondContact OG-CG 3.46Å |
| 1375 | N | 58.3 | Low | 72.5 | Confident | 115 Ų | 115 | 41.8 Ų | 41.8 | 62% | 0.615 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 53.7 | -174.1 | -74.9 | -70.1 | 0 | 0 | 0 | 114.1 | ||
| 1376 | L | 67.9 | Low | 74.1 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -33.5 | 178.8 | -65 | 174 | 0 | 0 | 0 | 111.8 | F1307 S1374 N1378 N1389 F1390 L1391 | F1307-L1376 HydrophobicContact CE1-CD2 4.01Å; F1307-L1376 HydrophobicContact CZ-CD2 4.42Å; S1374-L1376 PolarHBondContact O-N 3.09Å; S1374-L1376 WeakPolarHBondContact OG-CD1 3.44Å; S1374-L1376 WeakPolarHBondContact OG-CG 3.46Å; L1376-N1378 PolarHBondContact O-N 3.2Å; L1376-N1378 PolarHBondContact O-ND2 2.67Å; L1376-N1389 VanDerWaalsContact O-O 3.04Å; L1376-F1390 HydrophobicContact CB-CD2 3.98Å; L1376-F1390 HydrophobicContact CB-CE2 4.05Å; L1376-F1390 HydrophobicContact CD1-CE2 4.36Å; L1376-L1391 HydrophobicContact CD1-CD2 3.87Å; L1376-L1391 HydrophobicContact CD2-CD2 4.45Å |
| 1377 | L | 79.1 | Confident | 75.4 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | trans | -75.4 | 110.5 | 171.5 | -84.7 | 163.7 | 0 | 0 | 0 | 110.4 | V1257 F1352 V1388 F1390 L1395 | V1257-L1377 HydrophobicContact CB-CB 4.27Å; V1257-L1377 HydrophobicContact CG2-CB 3.9Å; V1257-L1377 PolarHBondContact N-O 2.67Å; F1352-L1377 HydrophobicContact CB-CD1 4.47Å; F1352-L1377 HydrophobicContact CD1-CD2 4.41Å; L1377-V1388 HydrophobicContact CD2-CG2 3.93Å; L1377-F1390 HydrophobicContact CD2-CB 4.1Å; L1377-F1390 HydrophobicContact CD2-CD2 4.34Å; L1377-F1390 HydrophobicContact CG-CD2 3.99Å; L1377-L1395 HydrophobicContact CD2-CD1 3.78Å | ||
| 1378 | N | 85.7 | Confident | 76.8 | Confident | 28 Ų | 28 | 32.5 Ų | 32.5 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 138.9 | 179 | 62.5 | 102.1 | 0 | 0 | 0 | 112.4 | K1254 V1255 L1376 N1389 | K1254-N1378 WeakPolarHBondContact CD-OD1 3.41Å; K1254-N1378 WeakPolarHBondContact CE-OD1 3.45Å; K1254-N1378 WeakPolarHBondContact CG-OD1 3.47Å; V1255-N1378 WeakPolarHBondContact O-CA 2.82Å; L1376-N1378 PolarHBondContact O-N 3.2Å; L1376-N1378 PolarHBondContact O-ND2 2.67Å; N1378-N1389 PolarHBondContact N-O 3.4Å; N1378-N1389 PolarHBondContact ND2-O 3.31Å; N1378-N1389 PolarHBondContact O-N 3.41Å |
| 1379 | W | 88.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.9 | 166.8 | -68.5 | 107.2 | 0 | 0 | 0 | 109.8 | K1254 V1255 M1342 L1343 V1348 F1352 L1381 M1386 E1387 V1388 F1398 | K1254-W1379 VanDerWaalsContact CA-O 3.31Å; K1254-W1379 WeakPolarHBondContact CA-O 3.3Å; V1255-W1379 HydrophobicContact CB-CB 4.35Å; V1255-W1379 PolarHBondContact N-O 3.49Å; V1255-W1379 PolarHBondContact O-N 2.94Å; M1342-W1379 HydrophobicContact CE-CH2 4.17Å; L1343-W1379 HydrophobicContact CD2-CB 4.3Å; L1343-W1379 VanDerWaalsContact CD2-CD1 3.48Å; L1343-W1379 HydrophobicContact CD2-CD2 4.31Å; L1343-W1379 HydrophobicContact CD2-CG 3.8Å; V1348-W1379 HydrophobicContact CG1-CH2 4.43Å; V1348-W1379 HydrophobicContact CG1-CZ2 3.87Å; F1352-W1379 HydrophobicContact CE2-CH2 4.33Å; F1352-W1379 AromaticContact CE2-CZ2 3.85Å; F1352-W1379 HydrophobicContact CE2-CZ2 3.85Å; F1352-W1379 HydrophobicContact CZ-CH2 4.41Å; F1352-W1379 HydrophobicContact CZ-CZ2 4.34Å; W1379-L1381 HydrophobicContact CB-CD2 4.16Å; W1379-M1386 HydrophobicContact CE3-CB 4.45Å; W1379-M1386 HydrophobicContact CE3-CE 4.09Å; W1379-M1386 HydrophobicContact CE3-SD 3.94Å; W1379-M1386 HydrophobicContact CH2-SD 4.12Å; W1379-M1386 HydrophobicContact CZ3-CE 4.2Å; W1379-M1386 HydrophobicContact CZ3-CG 4.47Å; W1379-M1386 HydrophobicContact CZ3-SD 3.52Å; W1379-M1386 VanDerWaalsContact CZ3-SD 3.52Å; W1379-E1387 CarbonylContact C-O 3.4Å; W1379-E1387 WeakPolarHBondContact CA-O 3.49Å; W1379-V1388 HydrophobicContact CD2-CB 4.28Å; W1379-V1388 HydrophobicContact CE3-CB 3.89Å; W1379-V1388 HydrophobicContact CH2-CB 4.28Å; W1379-V1388 HydrophobicContact CH2-CG1 4.32Å; W1379-V1388 HydrophobicContact CZ3-CB 3.89Å; W1379-V1388 HydrophobicContact CZ3-CG1 4.1Å; W1379-F1398 AromaticContact CH2-CE2 4Å; W1379-F1398 HydrophobicContact CH2-CE2 4Å; W1379-F1398 HydrophobicContact CZ3-CD2 4.22Å; W1379-F1398 AromaticContact CZ3-CE2 3.85Å; W1379-F1398 HydrophobicContact CZ3-CE2 3.85Å |
| 1380 | S | 89.3 | Confident | 78.6 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.6 | 167.1 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | V1253 M1386 E1387 N1389 | V1253-S1380 WeakPolarHBondContact O-CA 3.45Å; S1380-M1386 WeakPolarHBondContact O-CA 3.44Å; S1380-E1387 PolarHBondContact N-O 3.18Å; S1380-E1387 PolarHBondContact O-N 3.44Å; S1380-E1387 VanDerWaalsContact O-N 3.08Å; S1380-N1389 PolarHBondContact OG-ND2 3.08Å |
| 1381 | L | 90.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.7 | -167.1 | -56 | 179 | 0 | 0 | 0 | 113 | L1233 L1238 V1253 V1255 I1339 L1343 W1379 M1386 | L1233-L1381 HydrophobicContact CD1-CD1 4.46Å; L1238-L1381 HydrophobicContact CD2-CB 4.21Å; V1253-L1381 HydrophobicContact CG1-CB 4.34Å; V1253-L1381 PolarHBondContact O-N 3.35Å; V1253-L1381 VanDerWaalsContact O-N 3.12Å; V1255-L1381 HydrophobicContact CG2-CD1 3.73Å; I1339-L1381 HydrophobicContact CG2-CD1 4.29Å; I1339-L1381 HydrophobicContact CG2-CD2 4.1Å; L1343-L1381 HydrophobicContact CD1-CD1 4.09Å; W1379-L1381 HydrophobicContact CB-CD2 4.16Å; L1381-M1386 HydrophobicContact CD2-CB 3.68Å; L1381-M1386 HydrophobicContact CD2-CE 3.87Å |
| 1382 | W | 89.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 173.3 | 171.6 | 64.7 | 101.3 | 0 | 0 | 0 | 111.6 | P1239 E1241 L1244 T1384 G1385 E1387 K1399 | P1239-W1382 HydrophobicContact CG-CB 4.09Å; P1239-W1382 WeakPolarHBondContact O-CA 3.39Å; P1239-W1382 WeakPolarHBondContact O-CB 3.46Å; E1241-W1382 HydrophobicContact CB-CG 4.46Å; L1244-W1382 HydrophobicContact CD2-CB 4.28Å; L1244-W1382 HydrophobicContact CD2-CD2 4.08Å; L1244-W1382 HydrophobicContact CD2-CE3 3.54Å; L1244-W1382 HydrophobicContact CD2-CG 4.44Å; L1244-W1382 HydrophobicContact CD2-CZ3 4.15Å; W1382-T1384 PolarHBondContact O-N 2.76Å; W1382-T1384 VanDerWaalsContact O-N 3.12Å; W1382-G1385 VanDerWaalsContact CD2-O 3.31Å; W1382-G1385 PolarHBondContact N-O 3.3Å; W1382-G1385 PolarHBondContact O-N 2.93Å; W1382-E1387 HydrophobicContact CH2-CB 4.14Å; W1382-E1387 HydrophobicContact CH2-CG 4.29Å; W1382-E1387 HydrophobicContact CZ3-CB 4.14Å; W1382-E1387 HydrophobicContact CZ3-CG 3.93Å; W1382-K1399 HydrophobicContact CH2-CB 4.46Å; W1382-K1399 HydrophobicContact CZ2-CB 3.64Å; W1382-K1399 HydrophobicContact CZ2-CD 4.04Å |
| 1383 | Q | 84.7 | Confident | 80.4 | Confident | 75 Ų | 75 | 32.1 Ų | 32.1 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25 | -173.6 | -72.9 | 179 | 16.1 | 0 | 0 | 115 | L1238 P1239 W1335 | L1238-Q1383 HydrophobicContact CB-CG 3.98Å; L1238-Q1383 WeakPolarHBondContact O-CG 3.43Å; L1238-Q1383 PolarHBondContact O-NE2 3.37Å; P1239-Q1383 WeakPolarHBondContact O-CG 3.47Å; P1239-Q1383 PolarHBondContact O-N 3.39Å; W1335-Q1383 WeakPolarHBondContact CB-O 3.46Å |
| 1384 | T | 87.2 | Confident | 81.6 | Confident | 27 Ų | 27 | 27.5 Ų | 27.5 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 26 | -172.3 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | W1335 W1382 E1400 | W1335-T1384 WeakPolarHBondContact CZ2-O 3.35Å; W1382-T1384 PolarHBondContact O-N 2.76Å; W1382-T1384 VanDerWaalsContact O-N 3.12Å; T1384-E1400 PolarHBondContact O-N 3.37Å |
| 1385 | G | 89.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | W1382 F1398 | W1382-G1385 VanDerWaalsContact CD2-O 3.31Å; W1382-G1385 PolarHBondContact N-O 3.3Å; W1382-G1385 PolarHBondContact O-N 2.93Å; G1385-F1398 CarbonylContact C-O 3.57Å; G1385-F1398 WeakPolarHBondContact CA-O 3.37Å |
| 1386 | M | 92.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 156.4 | 174.3 | 50.8 | 154.3 | 44.3 | 0 | 0 | 110.5 | F1338 I1339 M1342 L1343 W1379 S1380 L1381 F1398 | F1338-M1386 HydrophobicContact CE1-SD 4.5Å; I1339-M1386 HydrophobicContact CB-CE 4.21Å; I1339-M1386 HydrophobicContact CG1-CE 4.1Å; I1339-M1386 HydrophobicContact CG2-CE 4.03Å; M1342-M1386 HydrophobicContact CB-CE 3.78Å; M1342-M1386 HydrophobicContact CB-SD 3.85Å; M1342-M1386 HydrophobicContact CG-SD 4.03Å; L1343-M1386 HydrophobicContact CG-CE 4.43Å; W1379-M1386 HydrophobicContact CE3-CB 4.45Å; W1379-M1386 HydrophobicContact CE3-CE 4.09Å; W1379-M1386 HydrophobicContact CE3-SD 3.94Å; W1379-M1386 HydrophobicContact CH2-SD 4.12Å; W1379-M1386 HydrophobicContact CZ3-CE 4.2Å; W1379-M1386 HydrophobicContact CZ3-CG 4.47Å; W1379-M1386 HydrophobicContact CZ3-SD 3.52Å; W1379-M1386 VanDerWaalsContact CZ3-SD 3.52Å; S1380-M1386 WeakPolarHBondContact O-CA 3.44Å; L1381-M1386 HydrophobicContact CD2-CB 3.68Å; L1381-M1386 HydrophobicContact CD2-CE 3.87Å; M1386-F1398 HydrophobicContact CG-CB 4.11Å; M1386-F1398 HydrophobicContact CG-CD2 4.02Å; M1386-F1398 HydrophobicContact CG-CG 4.5Å; M1386-F1398 PolarHBondContact N-O 2.94Å; M1386-F1398 PolarHBondContact O-N 3.36Å; M1386-F1398 HydrophobicContact SD-CD2 3.95Å |
| 1387 | E | 91.2 | Very high | 85.9 | Confident | 12 Ų | 12 | 18.9 Ų | 18.9 | 6% | 0.056 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149.8 | 169.9 | 74 | -167.2 | -166 | 0 | 0 | 110.8 | R1245 W1379 S1380 W1382 N1389 T1394 A1396 | R1245-E1387 IonicContact CZ-OE1 3.85Å; R1245-E1387 IonicContact CZ-OE2 2.76Å; R1245-E1387 VanDerWaalsContact CZ-OE2 3.24Å; R1245-E1387 VanDerWaalsContact NH1-CD 3.26Å; R1245-E1387 IonicContact NH1-OE1 2.75Å; R1245-E1387 PolarHBondContact NH1-OE1 3.22Å; R1245-E1387 IonicContact NH1-OE2 3.78Å; R1245-E1387 PolarHBondContact NH1-OE2 3.26Å; R1245-E1387 IonicContact NH2-OE1 3.94Å; R1245-E1387 IonicContact NH2-OE2 2.87Å; R1245-E1387 PolarHBondContact NH2-OE2 2.71Å; W1379-E1387 CarbonylContact C-O 3.4Å; W1379-E1387 WeakPolarHBondContact CA-O 3.49Å; S1380-E1387 PolarHBondContact N-O 3.18Å; S1380-E1387 PolarHBondContact O-N 3.44Å; S1380-E1387 VanDerWaalsContact O-N 3.08Å; W1382-E1387 HydrophobicContact CH2-CB 4.14Å; W1382-E1387 HydrophobicContact CH2-CG 4.29Å; W1382-E1387 HydrophobicContact CZ3-CB 4.14Å; W1382-E1387 HydrophobicContact CZ3-CG 3.93Å; E1387-N1389 WeakPolarHBondContact CG-ND2 3.49Å; E1387-N1389 PolarHBondContact OE1-ND2 3.21Å; E1387-T1394 HydrophobicContact CB-CG2 3.77Å; E1387-T1394 HydrophobicContact CG-CG2 4.26Å; E1387-A1396 WeakPolarHBondContact CA-O 3.47Å |
| 1388 | V | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.4 | 172.6 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | V1257 F1352 L1377 W1379 L1395 A1396 | V1257-V1388 HydrophobicContact CG2-CG2 4.23Å; F1352-V1388 HydrophobicContact CE1-CG1 4.01Å; F1352-V1388 HydrophobicContact CE1-CG2 4.06Å; F1352-V1388 HydrophobicContact CZ-CB 4.29Å; F1352-V1388 HydrophobicContact CZ-CG1 3.77Å; F1352-V1388 HydrophobicContact CZ-CG2 4.11Å; L1377-V1388 HydrophobicContact CD2-CG2 3.93Å; W1379-V1388 HydrophobicContact CD2-CB 4.28Å; W1379-V1388 HydrophobicContact CE3-CB 3.89Å; W1379-V1388 HydrophobicContact CH2-CB 4.28Å; W1379-V1388 HydrophobicContact CH2-CG1 4.32Å; W1379-V1388 HydrophobicContact CZ3-CB 3.89Å; W1379-V1388 HydrophobicContact CZ3-CG1 4.1Å; V1388-L1395 HydrophobicContact CG1-CB 4.15Å; V1388-L1395 PolarHBondContact O-N 3.48Å; V1388-A1396 HydrophobicContact CG1-CB 3.76Å; V1388-A1396 PolarHBondContact N-O 2.89Å |
| 1389 | N | 85.2 | Confident | 86.8 | Confident | 22 Ų | 22 | 17.5 Ų | 17.5 | 12% | 0.118 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.9 | -175.2 | -74.5 | -40.3 | 0 | 0 | 0 | 110.7 | L1376 N1378 S1380 E1387 A1393 T1394 | L1376-N1389 VanDerWaalsContact O-O 3.04Å; N1378-N1389 PolarHBondContact N-O 3.4Å; N1378-N1389 PolarHBondContact ND2-O 3.31Å; N1378-N1389 PolarHBondContact O-N 3.41Å; S1380-N1389 PolarHBondContact OG-ND2 3.08Å; E1387-N1389 WeakPolarHBondContact CG-ND2 3.49Å; E1387-N1389 PolarHBondContact OE1-ND2 3.21Å; N1389-A1393 WeakPolarHBondContact CA-O 3.41Å; N1389-T1394 WeakPolarHBondContact OD1-CA 3.42Å; N1389-T1394 WeakPolarHBondContact OD1-CB 3.36Å; N1389-T1394 PolarHBondContact OD1-OG1 3.38Å |
| 1390 | F | 81.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 128.6 | 176.3 | 177 | -111.3 | 0 | 0 | 0 | 110.1 | F1356 V1371 F1372 L1376 L1377 G1392 A1393 L1395 Y1445 | F1356-F1390 HydrophobicContact CE1-CD1 4.44Å; F1356-F1390 HydrophobicContact CE1-CE1 4.45Å; F1356-F1390 HydrophobicContact CE2-CD1 4.03Å; F1356-F1390 HydrophobicContact CE2-CE1 4.07Å; F1356-F1390 AromaticContact CZ-CD1 3.59Å; F1356-F1390 HydrophobicContact CZ-CD1 3.59Å; F1356-F1390 AromaticContact CZ-CE1 3.83Å; F1356-F1390 HydrophobicContact CZ-CE1 3.83Å; F1356-F1390 HydrophobicContact CZ-CG 4.36Å; V1371-F1390 HydrophobicContact CG1-CZ 4.16Å; F1372-F1390 HydrophobicContact CE1-CZ 4.12Å; L1376-F1390 HydrophobicContact CB-CD2 3.98Å; L1376-F1390 HydrophobicContact CB-CE2 4.05Å; L1376-F1390 HydrophobicContact CD1-CE2 4.36Å; L1377-F1390 HydrophobicContact CD2-CB 4.1Å; L1377-F1390 HydrophobicContact CD2-CD2 4.34Å; L1377-F1390 HydrophobicContact CG-CD2 3.99Å; F1390-G1392 PolarHBondContact O-N 3.42Å; F1390-A1393 PolarHBondContact N-O 3.26Å; F1390-A1393 PolarHBondContact O-N 3.15Å; F1390-A1393 VanDerWaalsContact O-O 3.08Å; F1390-L1395 HydrophobicContact CB-CD1 3.71Å; F1390-L1395 HydrophobicContact CB-CD2 4.09Å; F1390-L1395 HydrophobicContact CB-CG 3.89Å; F1390-L1395 HydrophobicContact CG-CD1 4.42Å; F1390-Y1445 HydrophobicContact CD1-CE1 4.1Å; F1390-Y1445 AromaticContact CD1-CZ 3.96Å; F1390-Y1445 HydrophobicContact CE1-CE1 4.48Å; F1390-Y1445 PolarHBondContact O-OH 3.36Å |
| 1391 | L | 76.3 | Confident | 86.6 | Confident | 52 Ų | 52 | 20 Ų | 20 | 27% | 0.272 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 23.3 | -174.5 | -65.3 | 174.5 | 0 | 0 | 0 | 115 | L1376 Y1445 | L1376-L1391 HydrophobicContact CD1-CD2 3.87Å; L1376-L1391 HydrophobicContact CD2-CD2 4.45Å; L1391-Y1445 HydrophobicContact CB-CE1 4.16Å; L1391-Y1445 HydrophobicContact CD1-CD1 4.17Å; L1391-Y1445 HydrophobicContact CD1-CE1 4.39Å |
| 1392 | G | 71.9 | Confident | 86 | Confident | 76 Ų | 76 | 23.2 Ų | 23.2 | 78% | 0.784 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 2.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F1390 | F1390-G1392 PolarHBondContact O-N 3.42Š|
| 1393 | A | 76.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 25 Ų | 25 | 16% | 0.157 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 154.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1314 N1389 F1390 Y1445 | F1314-A1393 HydrophobicContact CD1-CB 4.11Å; F1314-A1393 HydrophobicContact CE1-CB 3.64Å; F1314-A1393 HydrophobicContact CZ-CB 4.48Å; N1389-A1393 WeakPolarHBondContact CA-O 3.41Å; F1390-A1393 PolarHBondContact N-O 3.26Å; F1390-A1393 PolarHBondContact O-N 3.15Å; F1390-A1393 VanDerWaalsContact O-O 3.08Å; A1393-Y1445 HydrophobicContact CB-CE1 4.43Å |
| 1394 | T | 84.6 | Confident | 83.5 | Confident | 40 Ų | 40 | 29.9 Ų | 29.9 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120.5 | -173.8 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | E1387 N1389 A1396 P1441 | E1387-T1394 HydrophobicContact CB-CG2 3.77Å; E1387-T1394 HydrophobicContact CG-CG2 4.26Å; N1389-T1394 WeakPolarHBondContact OD1-CA 3.42Å; N1389-T1394 WeakPolarHBondContact OD1-CB 3.36Å; N1389-T1394 PolarHBondContact OD1-OG1 3.38Å; T1394-A1396 WeakPolarHBondContact CG2-O 3.33Å; T1394-P1441 VanDerWaalsContact O-CG 3.25Å; T1394-P1441 WeakPolarHBondContact O-CG 3.42Å |
| 1395 | L | 87 | Confident | 82.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -33.8 | -178.9 | -56.4 | -173.4 | 0 | 0 | 0 | 113 | Y1355 F1356 L1377 V1388 F1390 L1443 Y1445 | Y1355-L1395 HydrophobicContact CD1-CD1 4.05Å; Y1355-L1395 HydrophobicContact CE1-CB 3.88Å; Y1355-L1395 HydrophobicContact CE1-CD1 4.17Å; Y1355-L1395 HydrophobicContact CE1-CG 4.44Å; Y1355-L1395 PolarHBondContact OH-O 3.13Å; Y1355-L1395 VanDerWaalsContact OH-O 3.13Å; F1356-L1395 HydrophobicContact CE1-CD2 4.36Å; F1356-L1395 HydrophobicContact CE2-CD1 3.93Å; F1356-L1395 HydrophobicContact CZ-CD1 3.76Å; F1356-L1395 HydrophobicContact CZ-CD2 3.7Å; F1356-L1395 HydrophobicContact CZ-CG 4.4Å; L1377-L1395 HydrophobicContact CD2-CD1 3.78Å; V1388-L1395 HydrophobicContact CG1-CB 4.15Å; V1388-L1395 PolarHBondContact O-N 3.48Å; F1390-L1395 HydrophobicContact CB-CD1 3.71Å; F1390-L1395 HydrophobicContact CB-CD2 4.09Å; F1390-L1395 HydrophobicContact CB-CG 3.89Å; F1390-L1395 HydrophobicContact CG-CD1 4.42Å; L1395-L1443 HydrophobicContact CD2-CD1 3.97Å; L1395-Y1445 HydrophobicContact CD2-CE2 4.3Å; L1395-Y1445 WeakPolarHBondContact CD2-OH 3.37Å |
| 1396 | A | 90.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 142.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E1387 V1388 T1394 F1398 H1439 Q1440 L1470 | E1387-A1396 WeakPolarHBondContact CA-O 3.47Å; V1388-A1396 HydrophobicContact CG1-CB 3.76Å; V1388-A1396 PolarHBondContact N-O 2.89Å; T1394-A1396 WeakPolarHBondContact CG2-O 3.33Å; A1396-F1398 HydrophobicContact CB-CE2 3.77Å; A1396-F1398 HydrophobicContact CB-CZ 3.69Å; A1396-H1439 CarbonylContact C-O 3.58Å; A1396-H1439 WeakPolarHBondContact CA-O 3.42Å; A1396-Q1440 HydrophobicContact CB-CG 3.83Å; A1396-L1470 HydrophobicContact CB-CD2 3.81Å |
| 1397 | S | 91.3 | Very high | 78.6 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.6 | 174.6 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | I1438 H1439 | S1397-I1438 WeakPolarHBondContact O-CA 3.11Å; S1397-H1439 PolarHBondContact N-O 2.92Å; S1397-H1439 PolarHBondContact O-N 2.96Å; S1397-H1439 PolarHBondContact OG-O 3.3Å |
| 1398 | F | 94 | Very high | 76.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 100.4 | -175.2 | -44 | -91.9 | 0 | 0 | 0 | 107.4 | F1338 M1342 W1379 G1385 M1386 A1396 E1437 I1438 L1470 T1474 | F1338-F1398 HydrophobicContact CE1-CB 3.86Å; F1338-F1398 HydrophobicContact CE1-CG 4.48Å; F1338-F1398 HydrophobicContact CZ-CB 4.25Å; F1338-F1398 HydrophobicContact CZ-CD1 4.49Å; F1338-F1398 HydrophobicContact CZ-CG 4.47Å; M1342-F1398 HydrophobicContact CE-CE1 4.36Å; M1342-F1398 HydrophobicContact CE-CE2 4.17Å; M1342-F1398 HydrophobicContact CE-CZ 3.98Å; W1379-F1398 AromaticContact CH2-CE2 4Å; W1379-F1398 HydrophobicContact CH2-CE2 4Å; W1379-F1398 HydrophobicContact CZ3-CD2 4.22Å; W1379-F1398 AromaticContact CZ3-CE2 3.85Å; W1379-F1398 HydrophobicContact CZ3-CE2 3.85Å; G1385-F1398 CarbonylContact C-O 3.57Å; G1385-F1398 WeakPolarHBondContact CA-O 3.37Å; M1386-F1398 HydrophobicContact CG-CB 4.11Å; M1386-F1398 HydrophobicContact CG-CD2 4.02Å; M1386-F1398 HydrophobicContact CG-CG 4.5Å; M1386-F1398 PolarHBondContact N-O 2.94Å; M1386-F1398 PolarHBondContact O-N 3.36Å; M1386-F1398 HydrophobicContact SD-CD2 3.95Å; A1396-F1398 HydrophobicContact CB-CE2 3.77Å; A1396-F1398 HydrophobicContact CB-CZ 3.69Å; F1398-E1437 WeakPolarHBondContact CA-O 3.14Å; F1398-I1438 HydrophobicContact CD1-CB 4.45Å; F1398-I1438 HydrophobicContact CD1-CG1 4.26Å; F1398-I1438 HydrophobicContact CD1-CG2 3.79Å; F1398-I1438 HydrophobicContact CE1-CG2 3.82Å; F1398-L1470 HydrophobicContact CZ-CD2 4.38Å; F1398-L1470 HydrophobicContact CZ-CG 4.41Å; F1398-T1474 HydrophobicContact CD1-CG2 3.62Å; F1398-T1474 HydrophobicContact CE1-CG2 3.52Å; F1398-T1474 WeakPolarHBondContact CE1-OG1 3.32Å |
| 1399 | K | 90.6 | Very high | 75.7 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 12% | 0.122 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.7 | -166 | 69 | 179 | -170.4 | 171.5 | 0 | 115 | E1241 W1335 W1382 L1436 E1437 | E1241-K1399 IonicContact OE1-NZ 3.92Å; E1241-K1399 PolarHBondContact OE1-NZ 3.42Å; W1335-K1399 VanDerWaalsContact CH2-C 3.46Å; W1335-K1399 VanDerWaalsContact CH2-CA 3.48Å; W1382-K1399 HydrophobicContact CH2-CB 4.46Å; W1382-K1399 HydrophobicContact CZ2-CB 3.64Å; W1382-K1399 HydrophobicContact CZ2-CD 4.04Å; K1399-L1436 CarbonylContact O-C 3.6Å; K1399-L1436 WeakPolarHBondContact O-CA 3.29Å; K1399-E1437 WeakPolarHBondContact CE-OE2 3.1Å; K1399-E1437 HydrophobicContact CG-CB 4.47Å; K1399-E1437 PolarHBondContact N-O 3.22Å; K1399-E1437 PolarHBondContact O-N 3.23Å |
| 1400 | E | 89.5 | Confident | 75.2 | Confident | 34 Ų | 34 | 47 Ų | 47 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.9 | 165.8 | 178.9 | 156.5 | -155.3 | 0 | 0 | 111.1 | F1330 W1335 T1384 L1402 S1434 I1435 | F1330-E1400 VanDerWaalsContact CD2-CD 3.43Å; F1330-E1400 HydrophobicContact CD2-CG 4.26Å; F1330-E1400 VanDerWaalsContact CD2-OE1 3.27Å; F1330-E1400 WeakPolarHBondContact CD2-OE1 3.41Å; F1330-E1400 HydrophobicContact CE2-CB 3.89Å; F1330-E1400 HydrophobicContact CE2-CG 3.63Å; F1330-E1400 WeakPolarHBondContact CE2-OE1 3.27Å; F1330-E1400 HydrophobicContact CZ-CB 4.47Å; W1335-E1400 HydrophobicContact CZ2-CB 3.85Å; W1335-E1400 VanDerWaalsContact CZ2-N 3.28Å; T1384-E1400 PolarHBondContact O-N 3.37Å; E1400-L1402 HydrophobicContact CG-CD2 3.87Å; E1400-L1402 HydrophobicContact CG-CG 4.18Å; E1400-L1402 PolarHBondContact O-N 3.02Å; E1400-S1434 PolarHBondContact OE1-OG 3.45Å; E1400-I1435 WeakPolarHBondContact CA-O 3.43Å |
| 1401 | F | 84.6 | Confident | 75 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | trans | -73.2 | 104.2 | 171.5 | 174.7 | -101.5 | 0 | 0 | 0 | 110.8 | P1403 Y1412 R1413 I1435 | F1401-P1403 HydrophobicContact CE1-CG 4.01Å; F1401-Y1412 HydrophobicContact CD1-CD2 4.48Å; F1401-Y1412 AromaticContact CD2-CD2 3.63Å; F1401-Y1412 HydrophobicContact CD2-CD2 3.63Å; F1401-Y1412 HydrophobicContact CD2-CE2 4.22Å; F1401-Y1412 AromaticContact CE2-CD2 3.87Å; F1401-Y1412 HydrophobicContact CE2-CD2 3.87Å; F1401-Y1412 AromaticContact CG-CD2 3.97Å; F1401-Y1412 HydrophobicContact CG-CD2 3.97Å; F1401-Y1412 HydrophobicContact CZ-CD2 4.4Å; F1401-R1413 HydrophobicContact CE1-CG 4.2Å; F1401-I1435 HydrophobicContact CB-CB 4.02Å; F1401-I1435 HydrophobicContact CB-CG2 4.36Å; F1401-I1435 HydrophobicContact CD1-CD1 4.47Å; F1401-I1435 PolarHBondContact N-O 2.86Å | ||
| 1402 | L | 76.1 | Confident | 75.3 | Confident | 67 Ų | 67 | 45 Ų | 45 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | trans | -104.9 | 113.9 | 176.7 | -64 | 177.9 | 0 | 0 | 0 | 110.7 | E1400 M1404 A1405 | E1400-L1402 HydrophobicContact CG-CD2 3.87Å; E1400-L1402 HydrophobicContact CG-CG 4.18Å; E1400-L1402 PolarHBondContact O-N 3.02Å; L1402-M1404 PolarHBondContact O-N 3.14Å; L1402-A1405 WeakPolarHBondContact O-CB 3.46Å; L1402-A1405 PolarHBondContact O-N 3.42Å | ||
| 1403 | P | 63.5 | Low | 75.5 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.7 | -173.2 | -27.4 | 34.2 | 0 | 0 | 0 | 116 | F1401 R1408 | F1401-P1403 HydrophobicContact CE1-CG 4.01Å; P1403-R1408 PolarHBondContact O-NH2 3.32Å |
| 1404 | M | 59.5 | Low | 75.5 | Confident | 176 Ų | 176 | 50.8 Ų | 50.8 | 87% | 0.867 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4.8 | -178.2 | -62.6 | -177.6 | 70.4 | 0 | 0 | 113.7 | L1402 | L1402-M1404 PolarHBondContact O-N 3.14Š|
| 1405 | A | 60 | Low | 75.3 | Confident | 13 Ų | 13 | 50 Ų | 50 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | trans | -68.5 | 137.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1402 V1407 | L1402-A1405 WeakPolarHBondContact O-CB 3.46Å; L1402-A1405 PolarHBondContact O-N 3.42Å; A1405-V1407 VanDerWaalsContact C-N 3.29Å; A1405-V1407 PolarHBondContact O-N 2.73Å | ||
| 1406 | L | 52.6 | Low | 75.2 | Confident | 126 Ų | 126 | 51.8 Ų | 51.8 | 66% | 0.66 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -76.7 | -8.3 | -170.7 | -105.8 | 155.9 | 0 | 0 | 0 | 115 | Y1242 | Y1242-L1406 HydrophobicContact CD2-CD1 4.28Å; Y1242-L1406 HydrophobicContact CE2-CD1 3.78Å |
| 1407 | V | 52.6 | Low | 75 | Confident | 86 Ų | 86 | 51.9 Ų | 51.9 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | trans | -114.8 | 98.9 | -177.5 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | R1245 A1405 | R1245-V1407 HydrophobicContact CB-CG2 4.41Å; R1245-V1407 HydrophobicContact CG-CG2 4.22Å; A1405-V1407 VanDerWaalsContact C-N 3.29Å; A1405-V1407 PolarHBondContact O-N 2.73Å | ||
| 1408 | R | 56.6 | Low | 74.9 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | trans | -114.6 | 125 | -175.1 | -68.8 | 173.6 | 163.3 | -131.8 | -7.3 | 111.2 | P1403 D1411 | P1403-R1408 PolarHBondContact O-NH2 3.32Å; R1408-D1411 IonicContact CZ-OD2 2.65Å; R1408-D1411 VanDerWaalsContact CZ-OD2 3.31Å; R1408-D1411 IonicContact NH1-OD2 2.66Å; R1408-D1411 PolarHBondContact NH1-OD2 3.26Å; R1408-D1411 IonicContact NH2-OD2 3.59Å; R1408-D1411 PolarHBondContact NH2-OD2 3.44Å | ||
| 1409 | E | 64.3 | Low | 74.6 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -101.6 | -38.7 | 160.4 | -63.8 | 179.6 | 136.8 | 0 | 0 | 111.1 | R1322 H1439 S1517 | R1322-E1409 IonicContact CZ-OE2 2.98Å; R1322-E1409 IonicContact NH1-OE2 2.77Å; R1322-E1409 PolarHBondContact NH1-OE2 2.85Å; R1322-E1409 IonicContact NH2-OE2 3.31Å; R1322-E1409 PolarHBondContact NH2-OE2 3.36Å; E1409-H1439 IonicContact OE2-CE1 3.61Å; E1409-H1439 PolarHBondContact OE2-CE1 3.48Å; E1409-H1439 IonicContact OE2-ND1 2.65Å; E1409-S1517 VanDerWaalsContact O-CA 3.3Å; E1409-S1517 WeakPolarHBondContact O-CA 3.1Å; E1409-S1517 WeakPolarHBondContact O-CB 3.08Å |
| 1410 | I | 74.4 | Confident | 74.2 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | trans | -141 | 143.1 | -176.2 | -54 | -179.3 | 0 | 0 | 0 | 108.5 | Y1412 L1415 T1513 | I1410-Y1412 HydrophobicContact CB-CE1 4.34Å; I1410-Y1412 HydrophobicContact CG2-CD1 3.91Å; I1410-Y1412 HydrophobicContact CG2-CE1 3.57Å; I1410-L1415 HydrophobicContact CG2-CD1 3.51Å; I1410-T1513 HydrophobicContact CD1-CG2 4Å | ||
| 1411 | D | 78.8 | Confident | 73.5 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | trans | -118.9 | 96.6 | 175 | -176.8 | -16.1 | 0 | 0 | 0 | 110.4 | R1408 R1413 N1414 L1415 | R1408-D1411 IonicContact CZ-OD2 2.65Å; R1408-D1411 VanDerWaalsContact CZ-OD2 3.31Å; R1408-D1411 IonicContact NH1-OD2 2.66Å; R1408-D1411 PolarHBondContact NH1-OD2 3.26Å; R1408-D1411 IonicContact NH2-OD2 3.59Å; R1408-D1411 PolarHBondContact NH2-OD2 3.44Å; D1411-R1413 PolarHBondContact O-N 3.42Å; D1411-R1413 VanDerWaalsContact O-N 3.08Å; D1411-R1413 PolarHBondContact OD1-N 3.46Å; D1411-R1413 VanDerWaalsContact OD1-N 3.13Å; D1411-N1414 HydrophobicContact CB-CB 4.43Å; D1411-N1414 PolarHBondContact O-N 3.42Å; D1411-N1414 VanDerWaalsContact O-N 3.11Å; D1411-N1414 PolarHBondContact OD2-ND2 3.46Å; D1411-L1415 WeakPolarHBondContact O-CG 3.45Å | ||
| 1412 | Y | 81.8 | Confident | 72.8 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -5.6 | -174.5 | -60.4 | -64 | 0 | 0 | 0 | 115.2 | L1324 F1401 I1410 L1417 T1430 E1437 L1570 | L1324-Y1412 HydrophobicContact CD1-CD1 4.13Å; L1324-Y1412 HydrophobicContact CD1-CE1 3.74Å; L1324-Y1412 HydrophobicContact CD2-CE1 4.33Å; L1324-Y1412 HydrophobicContact CD2-CE2 3.84Å; F1401-Y1412 HydrophobicContact CD1-CD2 4.48Å; F1401-Y1412 AromaticContact CD2-CD2 3.63Å; F1401-Y1412 HydrophobicContact CD2-CD2 3.63Å; F1401-Y1412 HydrophobicContact CD2-CE2 4.22Å; F1401-Y1412 AromaticContact CE2-CD2 3.87Å; F1401-Y1412 HydrophobicContact CE2-CD2 3.87Å; F1401-Y1412 AromaticContact CG-CD2 3.97Å; F1401-Y1412 HydrophobicContact CG-CD2 3.97Å; F1401-Y1412 HydrophobicContact CZ-CD2 4.4Å; I1410-Y1412 HydrophobicContact CB-CE1 4.34Å; I1410-Y1412 HydrophobicContact CG2-CD1 3.91Å; I1410-Y1412 HydrophobicContact CG2-CE1 3.57Å; Y1412-L1417 HydrophobicContact CD1-CD1 4.32Å; Y1412-L1417 HydrophobicContact CD1-CD2 4.47Å; Y1412-L1417 WeakPolarHBondContact O-CD1 3.17Å; Y1412-T1430 WeakPolarHBondContact O-CB 3.44Å; Y1412-T1430 PolarHBondContact O-OG1 2.91Å; Y1412-E1437 PolarHBondContact OH-OE1 2.98Å; Y1412-L1570 HydrophobicContact CD1-CD2 3.97Å; Y1412-L1570 HydrophobicContact CE1-CD2 3.78Å |
| 1413 | R | 77.3 | Confident | 72.7 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -14.7 | 173.2 | -72.9 | -177.1 | -178.4 | -179 | 4.7 | 113.7 | F1401 D1411 T1430 | F1401-R1413 HydrophobicContact CE1-CG 4.2Å; D1411-R1413 PolarHBondContact O-N 3.42Å; D1411-R1413 VanDerWaalsContact O-N 3.08Å; D1411-R1413 PolarHBondContact OD1-N 3.46Å; D1411-R1413 VanDerWaalsContact OD1-N 3.13Å; R1413-T1430 PolarHBondContact NE-O 3.2Å; R1413-T1430 VanDerWaalsContact NE-O 3.1Å |
| 1414 | N | 76.4 | Confident | 73.5 | Confident | 124 Ų | 124 | 68.6 Ų | 68.6 | 66% | 0.663 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -102.1 | 9.2 | 176.1 | -78.1 | -57.2 | 0 | 0 | 0 | 113.2 | D1411 | D1411-N1414 HydrophobicContact CB-CB 4.43Å; D1411-N1414 PolarHBondContact O-N 3.42Å; D1411-N1414 VanDerWaalsContact O-N 3.11Å; D1411-N1414 PolarHBondContact OD2-ND2 3.46Å |
| 1415 | L | 79.6 | Confident | 74.7 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -118.5 | 145.9 | 179.9 | -64.7 | 172.3 | 0 | 0 | 0 | 111.1 | I1410 D1411 L1417 A1516 A1568 L1570 | I1410-L1415 HydrophobicContact CG2-CD1 3.51Å; D1411-L1415 WeakPolarHBondContact O-CG 3.45Å; L1415-L1417 HydrophobicContact CB-CD1 3.94Å; L1415-L1417 PolarHBondContact O-N 3.21Å; L1415-L1417 VanDerWaalsContact O-N 3.15Å; L1415-A1516 HydrophobicContact CD1-CB 3.83Å; L1415-A1516 HydrophobicContact CD2-CB 3.98Å; L1415-A1568 HydrophobicContact CD2-CB 3.72Å; L1415-L1570 HydrophobicContact CD1-CD2 4.35Å |
| 1416 | S | 84.4 | Confident | 75.9 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 89.7 | 170 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | K1418 A1568 C1569 L1570 | S1416-K1418 PolarHBondContact O-N 3.27Å; S1416-A1568 PolarHBondContact N-O 2.9Å; S1416-C1569 WeakPolarHBondContact O-CA 3.49Å; S1416-L1570 PolarHBondContact O-N 2.72Å |
| 1417 | L | 87.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 118.5 | 170.5 | -81.3 | 74.4 | 0 | 0 | 0 | 109.5 | L1324 Y1412 L1415 S1427 L1428 T1430 L1570 | L1324-L1417 HydrophobicContact CD1-CD2 4.36Å; Y1412-L1417 HydrophobicContact CD1-CD1 4.32Å; Y1412-L1417 HydrophobicContact CD1-CD2 4.47Å; Y1412-L1417 WeakPolarHBondContact O-CD1 3.17Å; L1415-L1417 HydrophobicContact CB-CD1 3.94Å; L1415-L1417 PolarHBondContact O-N 3.21Å; L1415-L1417 VanDerWaalsContact O-N 3.15Å; L1417-S1427 WeakPolarHBondContact O-CA 3.4Å; L1417-L1428 HydrophobicContact CB-CB 4.26Å; L1417-L1428 HydrophobicContact CD2-CD2 4.31Å; L1417-L1428 PolarHBondContact O-N 2.9Å; L1417-T1430 HydrophobicContact CD1-CG2 4.11Å; L1417-T1430 HydrophobicContact CD2-CG2 3.9Å; L1417-T1430 HydrophobicContact CG-CG2 4.39Å; L1417-L1570 WeakPolarHBondContact CA-O 3.32Å; L1417-L1570 HydrophobicContact CD1-CD2 4.35Å; L1417-L1570 HydrophobicContact CG-CB 4.33Å; L1417-L1570 HydrophobicContact CG-CD2 4.18Å; L1417-L1570 HydrophobicContact CG-CG 4.45Å |
| 1418 | K | 88.9 | Confident | 78.8 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.8 | 172.1 | -66.9 | -176.8 | -165 | 154.2 | 0 | 110 | S1416 W1425 C1426 C1569 L1570 Y1571 C1572 | S1416-K1418 PolarHBondContact O-N 3.27Å; K1418-W1425 HydrophobicContact CB-CE3 4.1Å; K1418-C1426 CarbonylContact C-O 3.57Å; K1418-C1426 VanDerWaalsContact CA-O 3.32Å; K1418-C1426 WeakPolarHBondContact CA-O 3.41Å; K1418-C1569 WeakPolarHBondContact CD-SG 3.23Å; K1418-C1569 WeakPolarHBondContact CE-SG 3.07Å; K1418-C1569 PolarHBondContact NZ-SG 2.93Å; K1418-L1570 PolarHBondContact N-O 3.28Å; K1418-Y1571 HydrophobicContact CB-CD1 4.08Å; K1418-Y1571 HydrophobicContact CB-CE1 4.29Å; K1418-Y1571 HydrophobicContact CD-CD1 4.38Å; K1418-Y1571 HydrophobicContact CD-CE1 3.73Å; K1418-Y1571 PolarHBondContact NZ-OH 3.48Å; K1418-C1572 PolarHBondContact O-N 2.96Å |
| 1419 | Y | 88.5 | Confident | 79.7 | Confident | 22 Ų | 22 | 58.8 Ų | 58.8 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 159.1 | 174.9 | 76.7 | -72.6 | 0 | 0 | 0 | 111.3 | H1421 C1426 L1428 L1506 C1572 T1574 | Y1419-H1421 HydrophobicContact CD2-CB 4.44Å; Y1419-H1421 HydrophobicContact CE2-CB 3.78Å; Y1419-C1426 WeakPolarHBondContact CD1-O 3.18Å; Y1419-C1426 HydrophobicContact CE1-CB 4.13Å; Y1419-C1426 PolarHBondContact N-O 3.07Å; Y1419-C1426 PolarHBondContact O-N 2.95Å; Y1419-L1428 HydrophobicContact CD1-CB 4.13Å; Y1419-L1428 HydrophobicContact CD1-CD1 4.43Å; Y1419-L1428 HydrophobicContact CE1-CB 4.24Å; Y1419-L1428 HydrophobicContact CE1-CD1 4.01Å; Y1419-L1506 HydrophobicContact CG-CD2 4.41Å; Y1419-C1572 VanDerWaalsContact CA-O 3.27Å; Y1419-C1572 WeakPolarHBondContact CA-O 3.27Å; Y1419-T1574 HydrophobicContact CD2-CG2 4.24Å |
| 1420 | R | 81.7 | Confident | 80.1 | Confident | 107 Ų | 107 | 55 Ų | 55 | 40% | 0.404 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.5 | 179.5 | -165.1 | 156.8 | 67.7 | 133.9 | -2.8 | 111.1 | S1424 E1577 | R1420-S1424 CarbonylContact C-O 3.45Å; R1420-S1424 WeakPolarHBondContact CA-O 3.45Å; R1420-E1577 IonicContact CZ-OE1 2.74Å; R1420-E1577 IonicContact NE-OE1 3.94Å; R1420-E1577 PolarHBondContact NE-OE1 3.45Å; R1420-E1577 IonicContact NH2-OE1 2.84Å; R1420-E1577 PolarHBondContact NH2-OE1 2.92Å |
| 1421 | H | 74.2 | Confident | 79.9 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 130.4 | 175.7 | -168.3 | 64.7 | 0 | 0 | 0 | 109.1 | Y1419 G1423 S1424 | Y1419-H1421 HydrophobicContact CD2-CB 4.44Å; Y1419-H1421 HydrophobicContact CE2-CB 3.78Å; H1421-G1423 PolarHBondContact O-N 3.13Å; H1421-S1424 PolarHBondContact N-O 3.16Å; H1421-S1424 PolarHBondContact O-N 2.97Å; H1421-S1424 VanDerWaalsContact O-O 3.13Å |
| 1422 | E | 70.2 | Confident | 79.6 | Confident | 187 Ų | 187 | 64.4 Ų | 64.4 | 87% | 0.874 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 37.8 | -173.8 | -57.1 | -164.4 | 141.2 | 0 | 0 | 113.7 | S1424 | E1422-S1424 VanDerWaalsContact C-N 3.27Å; E1422-S1424 PolarHBondContact O-N 2.93Å |
| 1423 | G | 73.8 | Confident | 79.4 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -12.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H1421 | H1421-G1423 PolarHBondContact O-N 3.13Š|
| 1424 | S | 80.8 | Confident | 79.7 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 53% | 0.531 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 151.1 | -179.2 | -63 | 0 | 0 | 0 | 0 | 112.6 | R1420 H1421 E1422 | R1420-S1424 CarbonylContact C-O 3.45Å; R1420-S1424 WeakPolarHBondContact CA-O 3.45Å; H1421-S1424 PolarHBondContact N-O 3.16Å; H1421-S1424 PolarHBondContact O-N 2.97Å; H1421-S1424 VanDerWaalsContact O-O 3.13Å; E1422-S1424 VanDerWaalsContact C-N 3.27Å; E1422-S1424 PolarHBondContact O-N 2.93Å |
| 1425 | W | 85.5 | Confident | 80.4 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.5 | 173.9 | -74.8 | 103.5 | 0 | 0 | 0 | 111 | K1418 Y1571 C1572 F1573 P1591 | K1418-W1425 HydrophobicContact CB-CE3 4.1Å; W1425-Y1571 HydrophobicContact CD2-CD1 4.09Å; W1425-Y1571 HydrophobicContact CD2-CE1 4.45Å; W1425-Y1571 AromaticContact CE3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CE3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CE3-CE1 4.5Å; W1425-Y1571 HydrophobicContact CH2-CD1 4.09Å; W1425-Y1571 HydrophobicContact CZ2-CD1 4.35Å; W1425-Y1571 AromaticContact CZ3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CZ3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CZ3-CG 4.48Å; W1425-C1572 WeakPolarHBondContact CZ3-O 3.31Å; W1425-F1573 HydrophobicContact CH2-CD1 4.18Å; W1425-F1573 AromaticContact CH2-CE1 3.77Å; W1425-F1573 HydrophobicContact CH2-CE1 3.77Å; W1425-F1573 HydrophobicContact CH2-CZ 4.31Å; W1425-F1573 HydrophobicContact CZ2-CE1 4.2Å; W1425-P1591 HydrophobicContact CD2-CG 4.45Å; W1425-P1591 HydrophobicContact CZ2-CG 3.89Å |
| 1426 | C | 84.3 | Confident | 81 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.9 | -177.5 | -66.1 | 0 | 0 | 0 | 0 | 111 | K1418 Y1419 | K1418-C1426 CarbonylContact C-O 3.57Å; K1418-C1426 VanDerWaalsContact CA-O 3.32Å; K1418-C1426 WeakPolarHBondContact CA-O 3.41Å; Y1419-C1426 WeakPolarHBondContact CD1-O 3.18Å; Y1419-C1426 HydrophobicContact CE1-CB 4.13Å; Y1419-C1426 PolarHBondContact N-O 3.07Å; Y1419-C1426 PolarHBondContact O-N 2.95Å |
| 1427 | S | 83.4 | Confident | 81.4 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 60% | 0.601 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.2 | 172.5 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | L1417 | L1417-S1427 WeakPolarHBondContact O-CA 3.4Å |
| 1428 | L | 81.8 | Confident | 81.6 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | trans | -100.1 | 134.1 | -179.8 | -176.1 | 77.2 | 0 | 0 | 0 | 111.2 | I1326 L1417 Y1419 T1430 L1506 | I1326-L1428 HydrophobicContact CB-CD2 4.44Å; I1326-L1428 HydrophobicContact CD1-CD2 3.95Å; I1326-L1428 HydrophobicContact CG1-CD2 3.74Å; I1326-L1428 HydrophobicContact CG2-CD2 4.05Å; L1417-L1428 HydrophobicContact CB-CB 4.26Å; L1417-L1428 HydrophobicContact CD2-CD2 4.31Å; L1417-L1428 PolarHBondContact O-N 2.9Å; Y1419-L1428 HydrophobicContact CD1-CB 4.13Å; Y1419-L1428 HydrophobicContact CD1-CD1 4.43Å; Y1419-L1428 HydrophobicContact CE1-CB 4.24Å; Y1419-L1428 HydrophobicContact CE1-CD1 4.01Å; L1428-T1430 HydrophobicContact CD2-CG2 4.11Å; L1428-T1430 PolarHBondContact O-N 3.31Å; L1428-L1506 HydrophobicContact CD2-CD1 4.06Å | ||
| 1429 | D | 75.9 | Confident | 81.7 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | trans | -84.5 | 99 | 172.9 | -179.2 | 10.5 | 0 | 0 | 0 | 111.5 | N1431 Q1432 | D1429-N1431 VanDerWaalsContact C-N 3.29Å; D1429-N1431 PolarHBondContact O-N 3.11Å; D1429-N1431 WeakPolarHBondContact OD1-CB 3.44Å; D1429-N1431 PolarHBondContact OD1-N 3.27Å; D1429-N1431 PolarHBondContact OD1-ND2 2.88Å; D1429-Q1432 WeakPolarHBondContact OD2-CG 3.46Å; D1429-Q1432 PolarHBondContact OD2-NE2 3.21Å | ||
| 1430 | T | 73.6 | Confident | 81.8 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.5 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | Y1412 R1413 L1417 L1428 I1435 | Y1412-T1430 WeakPolarHBondContact O-CB 3.44Å; Y1412-T1430 PolarHBondContact O-OG1 2.91Å; R1413-T1430 PolarHBondContact NE-O 3.2Å; R1413-T1430 VanDerWaalsContact NE-O 3.1Å; L1417-T1430 HydrophobicContact CD1-CG2 4.11Å; L1417-T1430 HydrophobicContact CD2-CG2 3.9Å; L1417-T1430 HydrophobicContact CG-CG2 4.39Å; L1428-T1430 HydrophobicContact CD2-CG2 4.11Å; L1428-T1430 PolarHBondContact O-N 3.31Å; T1430-I1435 HydrophobicContact CG2-CD1 4.07Å |
| 1431 | N | 70.9 | Confident | 82 | Confident | 98 Ų | 98 | 46.3 Ų | 46.3 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -23.7 | 178.2 | -62.1 | -73 | 0 | 0 | 0 | 113 | D1429 | D1429-N1431 VanDerWaalsContact C-N 3.29Å; D1429-N1431 PolarHBondContact O-N 3.11Å; D1429-N1431 WeakPolarHBondContact OD1-CB 3.44Å; D1429-N1431 PolarHBondContact OD1-N 3.27Å; D1429-N1431 PolarHBondContact OD1-ND2 2.88Å |
| 1432 | Q | 70.7 | Confident | 82.4 | Confident | 118 Ų | 118 | 46 Ų | 46 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -105.1 | 17.1 | -179.4 | -64.3 | -177.9 | 57 | 0 | 0 | 113.3 | D1429 | D1429-Q1432 WeakPolarHBondContact OD2-CG 3.46Å; D1429-Q1432 PolarHBondContact OD2-NE2 3.21Å |
| 1433 | S | 78.4 | Confident | 83 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -135.2 | 146.6 | -177.3 | -58 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1434 | S | 84.4 | Confident | 83.4 | Confident | 26 Ų | 26 | 36 Ų | 36 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 144.9 | 161.9 | -78.7 | 0 | 0 | 0 | 0 | 109.3 | M1327 E1400 | M1327-S1434 PolarHBondContact N-O 3.26Å; M1327-S1434 PolarHBondContact O-N 3.32Å; E1400-S1434 PolarHBondContact OE1-OG 3.45Å |
| 1435 | I | 89.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 119.8 | -179.5 | -56.8 | 176.7 | 0 | 0 | 0 | 108 | L1324 Y1325 I1326 E1400 F1401 T1430 | L1324-I1435 HydrophobicContact CB-CG2 4.31Å; L1324-I1435 HydrophobicContact CD2-CG2 4.01Å; Y1325-I1435 WeakPolarHBondContact O-CA 3.26Å; I1326-I1435 HydrophobicContact CD1-CB 4.47Å; I1326-I1435 HydrophobicContact CD1-CD1 4.05Å; I1326-I1435 HydrophobicContact CD1-CG1 3.82Å; I1326-I1435 HydrophobicContact CD1-CG2 4.07Å; E1400-I1435 WeakPolarHBondContact CA-O 3.43Å; F1401-I1435 HydrophobicContact CB-CB 4.02Å; F1401-I1435 HydrophobicContact CB-CG2 4.36Å; F1401-I1435 HydrophobicContact CD1-CD1 4.47Å; F1401-I1435 PolarHBondContact N-O 2.86Å; T1430-I1435 HydrophobicContact CG2-CD1 4.07Å |
| 1436 | L | 92.7 | Very high | 82.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.2 | 164.1 | -166.7 | 147.3 | 0 | 0 | 0 | 108.5 | L1324 Y1325 F1330 F1334 W1335 K1399 I1438 L1478 | L1324-L1436 CarbonylContact C-O 3.16Å; L1324-L1436 VanDerWaalsContact CA-O 3.31Å; L1324-L1436 WeakPolarHBondContact CA-O 3.22Å; Y1325-L1436 PolarHBondContact N-O 2.87Å; Y1325-L1436 PolarHBondContact O-N 2.88Å; F1330-L1436 HydrophobicContact CE1-CB 4.07Å; F1330-L1436 HydrophobicContact CE1-CD1 4.01Å; F1330-L1436 HydrophobicContact CZ-CB 3.76Å; F1330-L1436 HydrophobicContact CZ-CD1 4.32Å; F1330-L1436 HydrophobicContact CZ-CG 4.42Å; F1334-L1436 HydrophobicContact CE1-CD1 3.67Å; F1334-L1436 HydrophobicContact CZ-CD1 3.67Å; W1335-L1436 HydrophobicContact CH2-CD1 3.53Å; W1335-L1436 HydrophobicContact CH2-CG 3.8Å; W1335-L1436 HydrophobicContact CZ2-CD1 3.95Å; W1335-L1436 HydrophobicContact CZ2-CG 4.23Å; W1335-L1436 HydrophobicContact CZ3-CD1 4.24Å; K1399-L1436 CarbonylContact O-C 3.6Å; K1399-L1436 WeakPolarHBondContact O-CA 3.29Å; L1436-I1438 HydrophobicContact CD2-CD1 4.28Å; L1436-I1438 HydrophobicContact CD2-CG1 3.51Å; L1436-L1478 HydrophobicContact CD1-CD2 4.09Å; L1436-L1478 HydrophobicContact CD2-CD1 4.46Å |
| 1437 | E | 92 | Very high | 82.3 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.8 | 169.2 | 179.5 | 172.3 | -134 | 0 | 0 | 109.9 | R1322 L1324 F1398 K1399 Y1412 H1439 | R1322-E1437 IonicContact CZ-OE1 3.75Å; R1322-E1437 IonicContact NH1-OE1 3.47Å; R1322-E1437 PolarHBondContact NH1-OE1 3.43Å; L1324-E1437 HydrophobicContact CD2-CB 4.19Å; L1324-E1437 HydrophobicContact CD2-CG 4.27Å; F1398-E1437 WeakPolarHBondContact CA-O 3.14Å; K1399-E1437 WeakPolarHBondContact CE-OE2 3.1Å; K1399-E1437 HydrophobicContact CG-CB 4.47Å; K1399-E1437 PolarHBondContact N-O 3.22Å; K1399-E1437 PolarHBondContact O-N 3.23Å; Y1412-E1437 PolarHBondContact OH-OE1 2.98Å; E1437-H1439 HydrophobicContact CG-CB 4.22Å |
| 1438 | I | 93.3 | Very high | 81.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.6 | 159.7 | -52.3 | 178.2 | 0 | 0 | 0 | 106.2 | R1322 R1323 Y1325 S1397 F1398 L1436 T1474 L1478 | R1322-I1438 CarbonylContact C-O 3.55Å; R1322-I1438 VanDerWaalsContact CA-O 3.22Å; R1322-I1438 WeakPolarHBondContact CA-O 3.42Å; R1323-I1438 HydrophobicContact CB-CB 4.22Å; R1323-I1438 HydrophobicContact CB-CD1 4.26Å; R1323-I1438 HydrophobicContact CB-CG1 4.43Å; R1323-I1438 PolarHBondContact N-O 3.48Å; R1323-I1438 PolarHBondContact O-N 2.92Å; Y1325-I1438 HydrophobicContact CE2-CD1 4.16Å; S1397-I1438 WeakPolarHBondContact O-CA 3.11Å; F1398-I1438 HydrophobicContact CD1-CB 4.45Å; F1398-I1438 HydrophobicContact CD1-CG1 4.26Å; F1398-I1438 HydrophobicContact CD1-CG2 3.79Å; F1398-I1438 HydrophobicContact CE1-CG2 3.82Å; L1436-I1438 HydrophobicContact CD2-CD1 4.28Å; L1436-I1438 HydrophobicContact CD2-CG1 3.51Å; I1438-T1474 HydrophobicContact CD1-CG2 4.09Å; I1438-L1478 HydrophobicContact CD1-CD1 3.77Å |
| 1439 | H | 90 | Very high | 81.3 | Confident | 14 Ų | 14 | 24.1 Ų | 24.1 | 7% | 0.065 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.2 | 175.4 | 175 | -143 | 0 | 0 | 0 | 110.8 | R1322 A1396 S1397 E1409 E1437 | R1322-H1439 HydrophobicContact CG-CB 4.1Å; R1322-H1439 PolarHBondContact NE-CD2 3.48Å; R1322-H1439 PolarHBondContact NH2-CE1 3.27Å; R1322-H1439 PolarHBondContact NH2-ND1 3.48Å; R1322-H1439 PolarHBondContact NH2-NE2 2.83Å; R1322-H1439 VanDerWaalsContact NH2-NE2 3.11Å; A1396-H1439 CarbonylContact C-O 3.58Å; A1396-H1439 WeakPolarHBondContact CA-O 3.42Å; S1397-H1439 PolarHBondContact N-O 2.92Å; S1397-H1439 PolarHBondContact O-N 2.96Å; S1397-H1439 PolarHBondContact OG-O 3.3Å; E1409-H1439 IonicContact OE2-CE1 3.61Å; E1409-H1439 PolarHBondContact OE2-CE1 3.48Å; E1409-H1439 IonicContact OE2-ND1 2.65Å; E1437-H1439 HydrophobicContact CG-CB 4.22Å |
| 1440 | Q | 90.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 98.2 | 173.4 | -67.6 | 172.1 | -12.9 | 0 | 0 | 108.1 | I1321 A1396 M1467 | I1321-Q1440 HydrophobicContact CB-CB 4.26Å; I1321-Q1440 PolarHBondContact N-O 3.36Å; I1321-Q1440 PolarHBondContact O-N 3.22Å; A1396-Q1440 HydrophobicContact CB-CG 3.83Å; Q1440-M1467 HydrophobicContact CB-CE 3.95Å; Q1440-M1467 PolarHBondContact NE2-O 3.02Å; Q1440-M1467 WeakPolarHBondContact O-CE 3.49Å; Q1440-M1467 PolarHBondContact OE1-O 2.85Å |
| 1441 | P | 85 | Confident | 80.4 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | trans | -68.7 | 139.9 | 173 | 29 | -34.1 | 0 | 0 | 0 | 110.3 | T1320 T1394 L1443 M1467 | T1320-P1441 HydrophobicContact CG2-CB 4.32Å; T1394-P1441 VanDerWaalsContact O-CG 3.25Å; T1394-P1441 WeakPolarHBondContact O-CG 3.42Å; P1441-L1443 HydrophobicContact CB-CD2 4.06Å; P1441-L1443 HydrophobicContact CB-CG 4.14Å; P1441-L1443 HydrophobicContact CG-CD1 4.08Å; P1441-L1443 HydrophobicContact CG-CD2 4.3Å; P1441-L1443 HydrophobicContact CG-CG 4.1Å; P1441-M1467 WeakPolarHBondContact O-CE 3.45Å | ||
| 1442 | H | 84.2 | Confident | 80 | Confident | 42 Ų | 42 | 31.4 Ų | 31.4 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | trans | -78.1 | 127.4 | 163.5 | -172.3 | 76.4 | 0 | 0 | 0 | 107.9 | S1319 T1462 M1467 | S1319-H1442 VanDerWaalsContact OG-CB 3.27Å; S1319-H1442 WeakPolarHBondContact OG-CB 3.49Å; S1319-H1442 PolarHBondContact OG-CD2 3.42Å; H1442-T1462 WeakPolarHBondContact CA-OG1 3.5Å; H1442-T1462 PolarHBondContact CE1-O 3.11Å; H1442-T1462 PolarHBondContact ND1-O 2.95Å; H1442-T1462 PolarHBondContact ND1-OG1 3.43Å; H1442-M1467 HydrophobicContact CB-CE 4.23Å; H1442-M1467 HydrophobicContact CB-SD 4.47Å | ||
| 1443 | L | 82.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137 | -171 | -63.4 | 174.4 | 0 | 0 | 0 | 110.7 | L1395 P1441 Y1445 T1462 | L1395-L1443 HydrophobicContact CD2-CD1 3.97Å; P1441-L1443 HydrophobicContact CB-CD2 4.06Å; P1441-L1443 HydrophobicContact CB-CG 4.14Å; P1441-L1443 HydrophobicContact CG-CD1 4.08Å; P1441-L1443 HydrophobicContact CG-CD2 4.3Å; P1441-L1443 HydrophobicContact CG-CG 4.1Å; L1443-Y1445 HydrophobicContact CB-CD2 4.19Å; L1443-Y1445 HydrophobicContact CB-CE2 3.66Å; L1443-Y1445 HydrophobicContact CD1-CE2 3.98Å; L1443-Y1445 HydrophobicContact CG-CE2 4.46Å; L1443-T1462 HydrophobicContact CB-CG2 3.98Å; L1443-T1462 PolarHBondContact N-OG1 3.24Å; L1443-T1462 PolarHBondContact O-N 3.24Å; L1443-T1462 PolarHBondContact O-OG1 3.28Å |
| 1444 | S | 81.7 | Confident | 78.7 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131 | 166.4 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | Q1315 T1459 L1460 | Q1315-S1444 PolarHBondContact N-O 2.92Å; Q1315-S1444 PolarHBondContact O-N 3Å; S1444-T1459 WeakPolarHBondContact OG-CG2 3.44Å; S1444-L1460 WeakPolarHBondContact CA-O 3.28Å |
| 1445 | Y | 77 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.6 | 179.3 | -64.9 | -111.5 | 0 | 0 | 0 | 110.2 | V1312 F1314 F1356 F1390 L1391 A1393 L1395 L1443 V1447 T1459 L1460 | V1312-Y1445 HydrophobicContact CG1-CD1 3.95Å; F1314-Y1445 HydrophobicContact CD1-CD1 4.3Å; F1314-Y1445 HydrophobicContact CD1-CE1 4.15Å; F1314-Y1445 AromaticContact CE1-CD1 3.97Å; F1314-Y1445 HydrophobicContact CE1-CD1 3.97Å; F1314-Y1445 AromaticContact CE1-CE1 3.66Å; F1314-Y1445 HydrophobicContact CE1-CE1 3.66Å; F1356-Y1445 HydrophobicContact CE1-CD2 4.01Å; F1356-Y1445 AromaticContact CE1-CE2 3.75Å; F1356-Y1445 HydrophobicContact CE1-CE2 3.75Å; F1356-Y1445 HydrophobicContact CZ-CE2 4.25Å; F1390-Y1445 HydrophobicContact CD1-CE1 4.1Å; F1390-Y1445 AromaticContact CD1-CZ 3.96Å; F1390-Y1445 HydrophobicContact CE1-CE1 4.48Å; F1390-Y1445 PolarHBondContact O-OH 3.36Å; L1391-Y1445 HydrophobicContact CB-CE1 4.16Å; L1391-Y1445 HydrophobicContact CD1-CD1 4.17Å; L1391-Y1445 HydrophobicContact CD1-CE1 4.39Å; A1393-Y1445 HydrophobicContact CB-CE1 4.43Å; L1395-Y1445 HydrophobicContact CD2-CE2 4.3Å; L1395-Y1445 WeakPolarHBondContact CD2-OH 3.37Å; L1443-Y1445 HydrophobicContact CB-CD2 4.19Å; L1443-Y1445 HydrophobicContact CB-CE2 3.66Å; L1443-Y1445 HydrophobicContact CD1-CE2 3.98Å; L1443-Y1445 HydrophobicContact CG-CE2 4.46Å; Y1445-V1447 PolarHBondContact O-N 3.39Å; Y1445-T1459 WeakPolarHBondContact O-CA 3.43Å; Y1445-L1460 PolarHBondContact N-O 2.81Å; Y1445-L1460 PolarHBondContact O-N 3.12Å |
| 1446 | D | 76.1 | Confident | 76.8 | Confident | 31 Ų | 31 | 38 Ų | 38 | 17% | 0.166 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.1 | 163.5 | -86.3 | -61.5 | 0 | 0 | 0 | 110.4 | V1312 Y1313 R1457 | V1312-D1446 WeakPolarHBondContact CA-O 3.18Å; Y1313-D1446 HydrophobicContact CD2-CB 4.33Å; D1446-R1457 IonicContact OD1-CZ 3.81Å; D1446-R1457 IonicContact OD1-NE 2.71Å; D1446-R1457 PolarHBondContact OD1-NE 2.7Å; D1446-R1457 IonicContact OD1-NH2 3.46Å; D1446-R1457 PolarHBondContact OD1-NH2 2.65Å; D1446-R1457 IonicContact OD2-CZ 3.44Å; D1446-R1457 IonicContact OD2-NH2 2.68Å; D1446-R1457 PolarHBondContact OD2-NH2 3.49Å |
| 1447 | V | 74.9 | Confident | 75.9 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | Y1309 Y1445 V1449 H1458 L1460 | Y1309-V1447 HydrophobicContact CD1-CG1 3.99Å; Y1309-V1447 HydrophobicContact CE1-CG1 4.45Å; Y1309-V1447 HydrophobicContact CG-CG1 4.44Å; Y1445-V1447 PolarHBondContact O-N 3.39Å; V1447-V1449 HydrophobicContact CG1-CG2 4.14Å; V1447-H1458 PolarHBondContact N-O 2.72Å; V1447-H1458 PolarHBondContact O-N 2.85Å; V1447-L1460 HydrophobicContact CG2-CD1 3.77Å; V1447-L1460 HydrophobicContact CG2-CG 4.18Å |
| 1448 | T | 73.4 | Confident | 75.1 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.8 | 169.7 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | S1310 S1456 R1457 | S1310-T1448 PolarHBondContact N-OG1 3.09Å; S1310-T1448 PolarHBondContact O-OG1 2.89Å; S1310-T1448 PolarHBondContact OG-OG1 3.21Å; T1448-S1456 CarbonylContact C-O 3.57Å; T1448-S1456 WeakPolarHBondContact CA-O 3.37Å; T1448-R1457 HydrophobicContact CG2-CB 4.31Å; T1448-R1457 HydrophobicContact CG2-CG 4.28Å |
| 1449 | V | 70.9 | Confident | 74.4 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.4 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | Y1309 V1447 G1451 S1456 | Y1309-V1449 HydrophobicContact CD1-CG2 4.45Å; Y1309-V1449 HydrophobicContact CE1-CG2 4.24Å; V1447-V1449 HydrophobicContact CG1-CG2 4.14Å; V1449-G1451 PolarHBondContact O-N 3.23Å; V1449-S1456 PolarHBondContact N-O 3.27Å; V1449-S1456 PolarHBondContact O-N 3.35Å; V1449-S1456 PolarHBondContact O-OG 3.23Å |
| 1450 | E | 64.9 | Low | 74 | Confident | 128 Ų | 128 | 43.9 Ų | 43.9 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 94.5 | 171.7 | -78.5 | -178.6 | -171.5 | 0 | 0 | 109.8 | K1455 | E1450-K1455 HydrophobicContact CG-CD 4.48Å; E1450-K1455 HydrophobicContact CG-CG 3.84Å; E1450-K1455 WeakPolarHBondContact OE1-CE 3.32Å; E1450-K1455 IonicContact OE1-NZ 3.17Å; E1450-K1455 PolarHBondContact OE1-NZ 3.28Å |
| 1451 | G | 65.7 | Low | 73.7 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 168.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1449 S1453 G1454 | V1449-G1451 PolarHBondContact O-N 3.23Å; G1451-S1453 PolarHBondContact O-N 3.06Å; G1451-S1453 VanDerWaalsContact O-N 3.16Å; G1451-G1454 PolarHBondContact N-O 3.16Å; G1451-G1454 PolarHBondContact O-N 2.57Å |
| 1452 | S | 61.6 | Low | 73.7 | Confident | 142 Ų | 142 | 44.6 Ų | 44.6 | 99% | 0.993 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19 | 178.3 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1453 | S | 57.9 | Low | 73.8 | Confident | 125 Ų | 125 | 44.2 Ų | 44.2 | 87% | 0.874 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3.5 | 175.4 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | G1451 | G1451-S1453 PolarHBondContact O-N 3.06Å; G1451-S1453 VanDerWaalsContact O-N 3.16Å |
| 1454 | G | 64.8 | Low | 74 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.7 | -171 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1451 S1456 | G1451-G1454 PolarHBondContact N-O 3.16Å; G1451-G1454 PolarHBondContact O-N 2.57Å; G1454-S1456 PolarHBondContact O-N 3.12Å |
| 1455 | K | 67.7 | Low | 74.3 | Confident | 127 Ų | 127 | 51 Ų | 51 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 109 | 174 | -74.1 | -178 | -180 | -109.1 | 0 | 110 | S1310 E1450 | S1310-K1455 PolarHBondContact OG-NZ 2.82Å; E1450-K1455 HydrophobicContact CG-CD 4.48Å; E1450-K1455 HydrophobicContact CG-CG 3.84Å; E1450-K1455 WeakPolarHBondContact OE1-CE 3.32Å; E1450-K1455 IonicContact OE1-NZ 3.17Å; E1450-K1455 PolarHBondContact OE1-NZ 3.28Å |
| 1456 | S | 66.3 | Low | 74.9 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140.7 | 166.7 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | T1448 V1449 G1454 H1458 | T1448-S1456 CarbonylContact C-O 3.57Å; T1448-S1456 WeakPolarHBondContact CA-O 3.37Å; V1449-S1456 PolarHBondContact N-O 3.27Å; V1449-S1456 PolarHBondContact O-N 3.35Å; V1449-S1456 PolarHBondContact O-OG 3.23Å; G1454-S1456 PolarHBondContact O-N 3.12Å; S1456-H1458 WeakPolarHBondContact CB-NE2 3.3Å; S1456-H1458 PolarHBondContact OG-NE2 3.14Å |
| 1457 | R | 72.5 | Confident | 75.6 | Confident | 126 Ų | 126 | 49.7 Ų | 49.7 | 48% | 0.475 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.4 | 173.5 | -176.1 | 178.5 | -178.9 | 165.1 | -2.9 | 107.9 | T1361 D1446 T1448 | T1361-R1457 PolarHBondContact OG1-O 2.87Å; D1446-R1457 IonicContact OD1-CZ 3.81Å; D1446-R1457 IonicContact OD1-NE 2.71Å; D1446-R1457 PolarHBondContact OD1-NE 2.7Å; D1446-R1457 IonicContact OD1-NH2 3.46Å; D1446-R1457 PolarHBondContact OD1-NH2 2.65Å; D1446-R1457 IonicContact OD2-CZ 3.44Å; D1446-R1457 IonicContact OD2-NH2 2.68Å; D1446-R1457 PolarHBondContact OD2-NH2 3.49Å; T1448-R1457 HydrophobicContact CG2-CB 4.31Å; T1448-R1457 HydrophobicContact CG2-CG 4.28Å |
| 1458 | H | 75.4 | Confident | 76.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.9 | 178.5 | -55.8 | -88.9 | 0 | 0 | 0 | 107.9 | V1358 C1360 D1364 S1367 V1368 V1447 S1456 | V1358-H1458 HydrophobicContact CG1-CB 4.46Å; C1360-H1458 PolarHBondContact SG-CE1 3.31Å; D1364-H1458 PolarHBondContact O-CE1 2.94Å; D1364-H1458 VanDerWaalsContact O-CE1 3.32Å; S1367-H1458 PolarHBondContact OG-NE2 3Å; V1368-H1458 HydrophobicContact CG2-CB 4.27Å; V1447-H1458 PolarHBondContact N-O 2.72Å; V1447-H1458 PolarHBondContact O-N 2.85Å; S1456-H1458 WeakPolarHBondContact CB-NE2 3.3Å; S1456-H1458 PolarHBondContact OG-NE2 3.14Å |
| 1459 | T | 80 | Confident | 77.2 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.6 | 175.4 | -51.5 | 0 | 0 | 0 | 0 | 108 | E1359 S1444 Y1445 | E1359-T1459 PolarHBondContact N-O 3.05Å; E1359-T1459 PolarHBondContact O-N 3.1Å; S1444-T1459 WeakPolarHBondContact OG-CG2 3.44Å; Y1445-T1459 WeakPolarHBondContact O-CA 3.43Å |
| 1460 | L | 80.2 | Confident | 78.2 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.7 | 176.8 | -50.2 | 177.3 | 0 | 0 | 0 | 108.7 | F1356 D1357 V1358 V1368 F1372 S1444 Y1445 V1447 | F1356-L1460 HydrophobicContact CD1-CB 4.12Å; D1357-L1460 WeakPolarHBondContact O-CA 3.3Å; V1358-L1460 HydrophobicContact CB-CD2 4.32Å; V1358-L1460 HydrophobicContact CG1-CD2 4.06Å; V1358-L1460 HydrophobicContact CG2-CD2 3.83Å; V1368-L1460 HydrophobicContact CG1-CD2 3.94Å; F1372-L1460 HydrophobicContact CZ-CD1 4.35Å; S1444-L1460 WeakPolarHBondContact CA-O 3.28Å; Y1445-L1460 PolarHBondContact N-O 2.81Å; Y1445-L1460 PolarHBondContact O-N 3.12Å; V1447-L1460 HydrophobicContact CG2-CD1 3.77Å; V1447-L1460 HydrophobicContact CG2-CG 4.18Å |
| 1461 | C | 84.4 | Confident | 79.5 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 14% | 0.142 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.4 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 109.7 | F1356 D1357 N1463 | F1356-C1461 CarbonylContact C-O 3.59Å; F1356-C1461 WeakPolarHBondContact CA-O 3.36Å; D1357-C1461 PolarHBondContact N-O 2.87Å; D1357-C1461 PolarHBondContact O-N 3.05Å; C1461-N1463 PolarHBondContact O-N 3.25Å |
| 1462 | T | 85.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 118.5 | 178.3 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | Y1355 F1356 H1442 L1443 R1464 | Y1355-T1462 HydrophobicContact CD1-CG2 4.13Å; Y1355-T1462 HydrophobicContact CE1-CG2 3.87Å; Y1355-T1462 CarbonylContact O-C 3.57Å; Y1355-T1462 WeakPolarHBondContact O-CA 3.38Å; F1356-T1462 HydrophobicContact CD1-CG2 4.13Å; F1356-T1462 HydrophobicContact CE1-CG2 3.7Å; F1356-T1462 HydrophobicContact CZ-CG2 4.42Å; H1442-T1462 WeakPolarHBondContact CA-OG1 3.5Å; H1442-T1462 PolarHBondContact CE1-O 3.11Å; H1442-T1462 PolarHBondContact ND1-O 2.95Å; H1442-T1462 PolarHBondContact ND1-OG1 3.43Å; L1443-T1462 HydrophobicContact CB-CG2 3.98Å; L1443-T1462 PolarHBondContact N-OG1 3.24Å; L1443-T1462 PolarHBondContact O-N 3.24Å; L1443-T1462 PolarHBondContact O-OG1 3.28Å; T1462-R1464 PolarHBondContact O-N 3.33Å |
| 1463 | N | 87.3 | Confident | 82 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | trans | -65.9 | 118.2 | -176.2 | 177.4 | -57 | 0 | 0 | 0 | 110.7 | Y1355 D1357 C1461 R1465 A1466 M1467 | Y1355-N1463 PolarHBondContact O-N 3.12Å; D1357-N1463 VanDerWaalsContact CG-ND2 3.31Å; D1357-N1463 PolarHBondContact OD1-ND2 2.76Å; D1357-N1463 VanDerWaalsContact OD2-CA 3.25Å; D1357-N1463 WeakPolarHBondContact OD2-CA 3.42Å; D1357-N1463 WeakPolarHBondContact OD2-CB 3.5Å; D1357-N1463 PolarHBondContact OD2-ND2 3.25Å; D1357-N1463 VanDerWaalsContact OD2-ND2 3.14Å; C1461-N1463 PolarHBondContact O-N 3.25Å; N1463-R1465 VanDerWaalsContact C-N 3.32Å; N1463-R1465 PolarHBondContact O-N 2.86Å; N1463-R1465 WeakPolarHBondContact OD1-CA 3.24Å; N1463-R1465 WeakPolarHBondContact OD1-CB 3.32Å; N1463-R1465 PolarHBondContact OD1-N 2.72Å; N1463-A1466 HydrophobicContact CB-CB 3.96Å; N1463-A1466 WeakPolarHBondContact O-CB 3.46Å; N1463-A1466 PolarHBondContact O-N 3.47Å; N1463-A1466 VanDerWaalsContact O-N 3.14Å; N1463-A1466 PolarHBondContact OD1-N 2.94Å; N1463-M1467 WeakPolarHBondContact O-CG 3.48Å; N1463-M1467 PolarHBondContact O-N 2.91Å | ||
| 1464 | R | 85.6 | Confident | 83.6 | Confident | 108 Ų | 108 | 31.1 Ų | 31.1 | 41% | 0.408 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.4 | -29.5 | -173.5 | -175.9 | 171.9 | 172.7 | 169.8 | -3.4 | 113.8 | T1462 T1468 N1599 | T1462-R1464 PolarHBondContact O-N 3.33Å; R1464-T1468 WeakPolarHBondContact O-CB 3.49Å; R1464-T1468 PolarHBondContact O-N 2.93Å; R1464-T1468 VanDerWaalsContact O-N 3.07Å; R1464-T1468 PolarHBondContact O-OG1 2.9Å; R1464-N1599 PolarHBondContact NH2-O 3.08Å |
| 1465 | R | 88.6 | Confident | 84.8 | Confident | 69 Ų | 69 | 30.3 Ų | 30.3 | 26% | 0.26 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -71.5 | -40.8 | 173.6 | 178.9 | 175.9 | -81.6 | 145 | -6.2 | 110.1 | N1463 T1468 R1469 L1610 D1612 | N1463-R1465 VanDerWaalsContact C-N 3.32Å; N1463-R1465 PolarHBondContact O-N 2.86Å; N1463-R1465 WeakPolarHBondContact OD1-CA 3.24Å; N1463-R1465 WeakPolarHBondContact OD1-CB 3.32Å; N1463-R1465 PolarHBondContact OD1-N 2.72Å; R1465-T1468 PolarHBondContact O-N 2.76Å; R1465-R1469 WeakPolarHBondContact O-CG 3.42Å; R1465-R1469 PolarHBondContact O-N 3.45Å; R1465-L1610 PolarHBondContact NE-O 3.2Å; R1465-L1610 PolarHBondContact NH2-O 3.39Å; R1465-D1612 IonicContact CZ-OD1 2.72Å; R1465-D1612 IonicContact CZ-OD2 2.7Å; R1465-D1612 IonicContact NH1-OD2 3.69Å; R1465-D1612 PolarHBondContact NH1-OD2 2.82Å; R1465-D1612 IonicContact NH2-OD1 3.04Å; R1465-D1612 PolarHBondContact NH2-OD1 3.37Å; R1465-D1612 IonicContact NH2-OD2 3.44Å; R1465-D1612 PolarHBondContact NH2-OD2 3.46Å |
| 1466 | A | 88.6 | Confident | 85.6 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1351 S1354 Y1355 N1463 T1468 R1469 L1470 | I1351-A1466 HydrophobicContact CG2-CB 4.39Å; I1351-A1466 WeakPolarHBondContact CG2-O 3.25Å; S1354-A1466 VanDerWaalsContact O-CB 3.3Å; S1354-A1466 WeakPolarHBondContact O-CB 3.13Å; Y1355-A1466 HydrophobicContact CD2-CB 4.17Å; N1463-A1466 HydrophobicContact CB-CB 3.96Å; N1463-A1466 WeakPolarHBondContact O-CB 3.46Å; N1463-A1466 PolarHBondContact O-N 3.47Å; N1463-A1466 VanDerWaalsContact O-N 3.14Å; N1463-A1466 PolarHBondContact OD1-N 2.94Å; A1466-T1468 VanDerWaalsContact C-N 3.3Å; A1466-T1468 PolarHBondContact O-N 2.92Å; A1466-R1469 WeakPolarHBondContact O-CB 3.45Å; A1466-R1469 PolarHBondContact O-N 2.94Å; A1466-L1470 PolarHBondContact O-N 2.91Å |
| 1467 | M | 91.2 | Very high | 86.6 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.8 | -46.1 | 169.2 | -66.6 | 173.3 | 76.9 | 0 | 0 | 110.9 | I1321 Y1355 Q1440 P1441 H1442 N1463 R1469 L1470 L1471 | I1321-M1467 HydrophobicContact CD1-CB 4.3Å; I1321-M1467 HydrophobicContact CD1-CE 4.49Å; Y1355-M1467 HydrophobicContact CE1-CG 4.4Å; Y1355-M1467 HydrophobicContact CE2-CG 4.24Å; Q1440-M1467 HydrophobicContact CB-CE 3.95Å; Q1440-M1467 PolarHBondContact NE2-O 3.02Å; Q1440-M1467 WeakPolarHBondContact O-CE 3.49Å; Q1440-M1467 PolarHBondContact OE1-O 2.85Å; P1441-M1467 WeakPolarHBondContact O-CE 3.45Å; H1442-M1467 HydrophobicContact CB-CE 4.23Å; H1442-M1467 HydrophobicContact CB-SD 4.47Å; N1463-M1467 WeakPolarHBondContact O-CG 3.48Å; N1463-M1467 PolarHBondContact O-N 2.91Å; M1467-R1469 PolarHBondContact O-N 3.09Å; M1467-L1470 PolarHBondContact O-N 3.01Å; M1467-L1471 WeakPolarHBondContact O-CB 3.5Å; M1467-L1471 PolarHBondContact O-N 3.03Å |
| 1468 | T | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 178.1 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | R1464 R1465 A1466 L1471 A1472 P1603 D1604 A1608 D1609 | R1464-T1468 WeakPolarHBondContact O-CB 3.49Å; R1464-T1468 PolarHBondContact O-N 2.93Å; R1464-T1468 VanDerWaalsContact O-N 3.07Å; R1464-T1468 PolarHBondContact O-OG1 2.9Å; R1465-T1468 PolarHBondContact O-N 2.76Å; A1466-T1468 VanDerWaalsContact C-N 3.3Å; A1466-T1468 PolarHBondContact O-N 2.92Å; T1468-L1471 WeakPolarHBondContact O-CB 3.06Å; T1468-L1471 PolarHBondContact O-N 2.79Å; T1468-A1472 WeakPolarHBondContact O-CB 3.46Å; T1468-A1472 PolarHBondContact O-N 2.89Å; T1468-P1603 HydrophobicContact CG2-CB 3.65Å; T1468-P1603 HydrophobicContact CG2-CG 3.93Å; T1468-D1604 HydrophobicContact CG2-CB 4.48Å; T1468-A1608 HydrophobicContact CG2-CB 4.48Å; T1468-D1609 HydrophobicContact CG2-CB 3.78Å |
| 1469 | R | 91.1 | Very high | 87.8 | Confident | 65 Ų | 65 | 20.6 Ų | 20.6 | 25% | 0.245 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 172.2 | -73.3 | 170.1 | 178.6 | 173.1 | -0.7 | 111.5 | I1351 R1465 A1466 M1467 L1471 A1472 A1473 D1609 D1611 | I1351-R1469 HydrophobicContact CD1-CB 3.74Å; I1351-R1469 HydrophobicContact CG1-CB 3.88Å; I1351-R1469 HydrophobicContact CG2-CB 4.28Å; R1465-R1469 WeakPolarHBondContact O-CG 3.42Å; R1465-R1469 PolarHBondContact O-N 3.45Å; A1466-R1469 WeakPolarHBondContact O-CB 3.45Å; A1466-R1469 PolarHBondContact O-N 2.94Å; M1467-R1469 PolarHBondContact O-N 3.09Å; R1469-L1471 VanDerWaalsContact C-N 3.31Å; R1469-L1471 PolarHBondContact O-N 3.39Å; R1469-A1472 PolarHBondContact O-N 3.4Å; R1469-A1473 WeakPolarHBondContact O-CB 3.46Å; R1469-A1473 PolarHBondContact O-N 2.81Å; R1469-D1609 HydrophobicContact CB-CB 4.42Å; R1469-D1609 HydrophobicContact CG-CB 3.67Å; R1469-D1609 PolarHBondContact NE-O 2.82Å; R1469-D1609 PolarHBondContact NH2-O 3.36Å; R1469-D1611 IonicContact CZ-OD1 3.83Å; R1469-D1611 IonicContact NH1-OD1 3.4Å; R1469-D1611 IonicContact NH2-OD1 2.68Å; R1469-D1611 PolarHBondContact NH2-OD1 3.28Å; R1469-D1611 IonicContact NH2-OD2 2.83Å; R1469-D1611 PolarHBondContact NH2-OD2 3.12Å; R1469-D1611 VanDerWaalsContact NH2-OD2 3.07Å |
| 1470 | L | 92.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.5 | -178.6 | 61.6 | 0 | 0 | 0 | 110.9 | V1348 I1351 F1352 Y1355 A1396 F1398 A1466 M1467 T1474 | V1348-L1470 HydrophobicContact CG1-CD1 4.08Å; I1351-L1470 HydrophobicContact CG2-CB 4.02Å; F1352-L1470 HydrophobicContact CE1-CD2 4.02Å; F1352-L1470 HydrophobicContact CE2-CD1 4.27Å; F1352-L1470 HydrophobicContact CZ-CD1 4.04Å; F1352-L1470 HydrophobicContact CZ-CD2 3.71Å; Y1355-L1470 HydrophobicContact CE2-CB 4.27Å; Y1355-L1470 HydrophobicContact CE2-CD2 3.69Å; A1396-L1470 HydrophobicContact CB-CD2 3.81Å; F1398-L1470 HydrophobicContact CZ-CD2 4.38Å; F1398-L1470 HydrophobicContact CZ-CG 4.41Å; A1466-L1470 PolarHBondContact O-N 2.91Å; M1467-L1470 PolarHBondContact O-N 3.01Å; L1470-T1474 WeakPolarHBondContact O-CB 3.41Å; L1470-T1474 PolarHBondContact O-N 3.4Å; L1470-T1474 PolarHBondContact O-OG1 2.83Å |
| 1471 | L | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.4 | -52.4 | 173.5 | 167.4 | 62.8 | 0 | 0 | 0 | 111.5 | I1321 R1323 M1467 T1468 R1469 A1473 T1474 V1475 D1604 | I1321-L1471 HydrophobicContact CG2-CD2 3.98Å; R1323-L1471 VanDerWaalsContact CD-CD1 3.47Å; M1467-L1471 WeakPolarHBondContact O-CB 3.5Å; M1467-L1471 PolarHBondContact O-N 3.03Å; T1468-L1471 WeakPolarHBondContact O-CB 3.06Å; T1468-L1471 PolarHBondContact O-N 2.79Å; R1469-L1471 VanDerWaalsContact C-N 3.31Å; R1469-L1471 PolarHBondContact O-N 3.39Å; L1471-A1473 PolarHBondContact O-N 3.17Å; L1471-T1474 PolarHBondContact O-N 3.34Å; L1471-T1474 VanDerWaalsContact O-N 3.16Å; L1471-V1475 HydrophobicContact CD1-CG2 3.74Å; L1471-V1475 HydrophobicContact CG-CG2 4.46Å; L1471-V1475 WeakPolarHBondContact O-CG2 3.24Å; L1471-V1475 PolarHBondContact O-N 3.5Å; L1471-D1604 HydrophobicContact CD2-CB 3.89Å; L1471-D1604 HydrophobicContact CG-CB 4.27Å |
| 1472 | A | 89.9 | Confident | 87.7 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 11% | 0.107 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1468 R1469 V1475 E1476 | T1468-A1472 WeakPolarHBondContact O-CB 3.46Å; T1468-A1472 PolarHBondContact O-N 2.89Å; R1469-A1472 PolarHBondContact O-N 3.4Å; A1472-V1475 PolarHBondContact O-N 3.43Å; A1472-E1476 WeakPolarHBondContact O-CB 3.36Å; A1472-E1476 PolarHBondContact O-N 3.2Å |
| 1473 | A | 88.8 | Confident | 87.3 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 4% | 0.041 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1351 R1469 L1471 V1475 E1476 I1477 | I1351-A1473 HydrophobicContact CD1-CB 4.34Å; R1469-A1473 WeakPolarHBondContact O-CB 3.46Å; R1469-A1473 PolarHBondContact O-N 2.81Å; L1471-A1473 PolarHBondContact O-N 3.17Å; A1473-V1475 PolarHBondContact O-N 3.14Å; A1473-E1476 PolarHBondContact O-N 2.94Å; A1473-I1477 WeakPolarHBondContact O-CB 3.37Å; A1473-I1477 VanDerWaalsContact O-CG1 3.26Å; A1473-I1477 WeakPolarHBondContact O-CG1 3.42Å; A1473-I1477 PolarHBondContact O-N 3.36Å |
| 1474 | T | 91.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.2 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | F1338 M1342 F1398 I1438 L1470 L1471 I1477 L1478 | F1338-T1474 HydrophobicContact CE2-CG2 4.14Å; F1338-T1474 HydrophobicContact CZ-CG2 3.85Å; M1342-T1474 HydrophobicContact CE-CG2 4.34Å; M1342-T1474 HydrophobicContact SD-CG2 4.22Å; F1398-T1474 HydrophobicContact CD1-CG2 3.62Å; F1398-T1474 HydrophobicContact CE1-CG2 3.52Å; F1398-T1474 WeakPolarHBondContact CE1-OG1 3.32Å; I1438-T1474 HydrophobicContact CD1-CG2 4.09Å; L1470-T1474 WeakPolarHBondContact O-CB 3.41Å; L1470-T1474 PolarHBondContact O-N 3.4Å; L1470-T1474 PolarHBondContact O-OG1 2.83Å; L1471-T1474 PolarHBondContact O-N 3.34Å; L1471-T1474 VanDerWaalsContact O-N 3.16Å; T1474-I1477 PolarHBondContact O-N 2.87Å; T1474-L1478 HydrophobicContact CG2-CD1 4.03Å; T1474-L1478 HydrophobicContact CG2-CG 4.44Å; T1474-L1478 WeakPolarHBondContact O-CB 3.37Å; T1474-L1478 VanDerWaalsContact O-CG 3.3Å; T1474-L1478 WeakPolarHBondContact O-CG 3.34Å; T1474-L1478 PolarHBondContact O-N 2.95Å |
| 1475 | V | 90.1 | Very high | 85.5 | Confident | 20 Ų | 20 | 22.7 Ų | 22.7 | 12% | 0.121 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 178.9 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | L1471 A1472 A1473 L1478 D1479 | L1471-V1475 HydrophobicContact CD1-CG2 3.74Å; L1471-V1475 HydrophobicContact CG-CG2 4.46Å; L1471-V1475 WeakPolarHBondContact O-CG2 3.24Å; L1471-V1475 PolarHBondContact O-N 3.5Å; A1472-V1475 PolarHBondContact O-N 3.43Å; A1473-V1475 PolarHBondContact O-N 3.14Å; V1475-L1478 PolarHBondContact O-N 3.23Å; V1475-D1479 PolarHBondContact O-N 3.11Å |
| 1476 | E | 84.6 | Confident | 84.7 | Confident | 49 Ų | 49 | 20.4 Ų | 20.4 | 23% | 0.229 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -49.1 | 171.9 | 177.9 | -174.2 | -158.5 | 0 | 0 | 111.7 | K1347 A1472 A1473 L1478 T1480 N1703 | K1347-E1476 IonicContact NZ-OE1 3.99Å; K1347-E1476 PolarHBondContact NZ-OE1 3.44Å; K1347-E1476 IonicContact NZ-OE2 3.1Å; K1347-E1476 PolarHBondContact NZ-OE2 2.89Å; A1472-E1476 WeakPolarHBondContact O-CB 3.36Å; A1472-E1476 PolarHBondContact O-N 3.2Å; A1473-E1476 PolarHBondContact O-N 2.94Å; E1476-L1478 VanDerWaalsContact C-N 3.3Å; E1476-L1478 PolarHBondContact O-N 3.23Å; E1476-T1480 HydrophobicContact CG-CG2 4.4Å; E1476-T1480 WeakPolarHBondContact O-CB 3.15Å; E1476-T1480 VanDerWaalsContact O-CG2 3.28Å; E1476-T1480 WeakPolarHBondContact O-CG2 3.49Å; E1476-T1480 PolarHBondContact O-N 3.22Å; E1476-T1480 PolarHBondContact O-OG1 3.24Å; E1476-N1703 PolarHBondContact OE1-ND2 3.16Å; E1476-N1703 PolarHBondContact OE2-ND2 3.27Å; E1476-N1703 VanDerWaalsContact OE2-ND2 3.12Å |
| 1477 | I | 87.3 | Confident | 83.6 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -39.3 | 178.9 | -72.2 | 166.1 | 0 | 0 | 0 | 111.2 | F1338 R1341 M1342 D1345 V1348 A1473 T1474 T1480 L1481 | F1338-I1477 HydrophobicContact CD2-CG2 3.91Å; F1338-I1477 HydrophobicContact CE2-CG2 3.96Å; R1341-I1477 HydrophobicContact CB-CG2 3.66Å; M1342-I1477 HydrophobicContact CG-CG2 4.46Å; M1342-I1477 HydrophobicContact SD-CB 4.45Å; M1342-I1477 HydrophobicContact SD-CD1 3.66Å; M1342-I1477 HydrophobicContact SD-CG2 4.24Å; D1345-I1477 HydrophobicContact CB-CD1 4.11Å; V1348-I1477 HydrophobicContact CG2-CD1 3.99Å; A1473-I1477 WeakPolarHBondContact O-CB 3.37Å; A1473-I1477 VanDerWaalsContact O-CG1 3.26Å; A1473-I1477 WeakPolarHBondContact O-CG1 3.42Å; A1473-I1477 PolarHBondContact O-N 3.36Å; T1474-I1477 PolarHBondContact O-N 2.87Å; I1477-T1480 PolarHBondContact O-OG1 3Å; I1477-L1481 WeakPolarHBondContact O-CB 3.24Å; I1477-L1481 PolarHBondContact O-N 3.33Å |
| 1478 | L | 89.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.9 | -55.2 | 177 | -77.5 | 170 | 0 | 0 | 0 | 112.4 | Y1325 F1334 F1338 L1436 I1438 T1474 V1475 E1476 L1481 L1482 | Y1325-L1478 HydrophobicContact CE2-CD1 4.13Å; F1334-L1478 HydrophobicContact CE2-CD2 4.18Å; F1334-L1478 HydrophobicContact CZ-CD2 3.64Å; F1338-L1478 HydrophobicContact CD2-CD2 3.59Å; F1338-L1478 HydrophobicContact CD2-CG 4.11Å; F1338-L1478 HydrophobicContact CE2-CD1 4.43Å; F1338-L1478 HydrophobicContact CE2-CD2 3.52Å; F1338-L1478 HydrophobicContact CE2-CG 3.62Å; F1338-L1478 HydrophobicContact CG-CD2 4.21Å; F1338-L1478 HydrophobicContact CZ-CD2 4.05Å; F1338-L1478 HydrophobicContact CZ-CG 4.23Å; L1436-L1478 HydrophobicContact CD1-CD2 4.09Å; L1436-L1478 HydrophobicContact CD2-CD1 4.46Å; I1438-L1478 HydrophobicContact CD1-CD1 3.77Å; T1474-L1478 HydrophobicContact CG2-CD1 4.03Å; T1474-L1478 HydrophobicContact CG2-CG 4.44Å; T1474-L1478 WeakPolarHBondContact O-CB 3.37Å; T1474-L1478 VanDerWaalsContact O-CG 3.3Å; T1474-L1478 WeakPolarHBondContact O-CG 3.34Å; T1474-L1478 PolarHBondContact O-N 2.95Å; V1475-L1478 PolarHBondContact O-N 3.23Å; E1476-L1478 VanDerWaalsContact C-N 3.3Å; E1476-L1478 PolarHBondContact O-N 3.23Å; L1478-L1481 PolarHBondContact O-N 3.1Å; L1478-L1482 WeakPolarHBondContact O-CD1 3.19Å; L1478-L1482 VanDerWaalsContact O-CG 3.25Å; L1478-L1482 WeakPolarHBondContact O-CG 3.46Å; L1478-L1482 PolarHBondContact O-N 2.98Å |
| 1479 | D | 84.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | -176.3 | -83.1 | -13.7 | 0 | 0 | 0 | 111.3 | V1475 L1481 L1482 E1483 R1492 R1505 | V1475-D1479 PolarHBondContact O-N 3.11Å; D1479-L1481 VanDerWaalsContact C-N 3.34Å; D1479-L1481 PolarHBondContact O-N 3.11Å; D1479-L1482 PolarHBondContact O-N 3.22Å; D1479-E1483 WeakPolarHBondContact O-CB 3.34Å; D1479-E1483 WeakPolarHBondContact O-CG 3.46Å; D1479-E1483 PolarHBondContact O-N 3.37Å; D1479-R1492 IonicContact OD2-CZ 2.76Å; D1479-R1492 IonicContact OD2-NE 3.67Å; D1479-R1492 IonicContact OD2-NH2 3.45Å; D1479-R1492 PolarHBondContact OD2-NH2 2.67Å; D1479-R1505 IonicContact OD1-CZ 3.86Å; D1479-R1505 VanDerWaalsContact OD1-CZ 3.26Å; D1479-R1505 IonicContact OD1-NE 2.76Å; D1479-R1505 PolarHBondContact OD1-NE 2.86Å; D1479-R1505 IonicContact OD1-NH2 3.81Å; D1479-R1505 PolarHBondContact OD1-NH2 3.37Å; D1479-R1505 IonicContact OD2-CZ 2.84Å; D1479-R1505 IonicContact OD2-NE 2.67Å; D1479-R1505 PolarHBondContact OD2-NE 3.46Å; D1479-R1505 IonicContact OD2-NH2 3.71Å |
| 1480 | T | 78.7 | Confident | 80.4 | Confident | 37 Ų | 37 | 24.7 Ų | 24.7 | 23% | 0.227 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.6 | -32.6 | 173 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | R1341 E1476 I1477 L1482 D1484 | R1341-T1480 PolarHBondContact NH1-OG1 2.96Å; R1341-T1480 VanDerWaalsContact NH1-OG1 3.14Å; E1476-T1480 HydrophobicContact CG-CG2 4.4Å; E1476-T1480 WeakPolarHBondContact O-CB 3.15Å; E1476-T1480 VanDerWaalsContact O-CG2 3.28Å; E1476-T1480 WeakPolarHBondContact O-CG2 3.49Å; E1476-T1480 PolarHBondContact O-N 3.22Å; E1476-T1480 PolarHBondContact O-OG1 3.24Å; I1477-T1480 PolarHBondContact O-OG1 3Å; T1480-L1482 VanDerWaalsContact C-N 3.34Å; T1480-D1484 WeakPolarHBondContact O-CB 3.33Å; T1480-D1484 PolarHBondContact O-N 3.13Å |
| 1481 | L | 82.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 173.7 | 173.1 | 60.6 | 0 | 0 | 0 | 110.9 | F1334 R1337 F1338 R1341 I1477 L1478 D1479 W1485 Y1486 | F1334-L1481 HydrophobicContact CD2-CD2 4.14Å; F1334-L1481 HydrophobicContact CE2-CD2 4.11Å; R1337-L1481 HydrophobicContact CB-CD1 3.61Å; R1337-L1481 HydrophobicContact CB-CD2 4.17Å; R1337-L1481 HydrophobicContact CG-CD1 4.28Å; F1338-L1481 HydrophobicContact CB-CD2 3.76Å; R1341-L1481 VanDerWaalsContact NH1-CA 3.28Å; R1341-L1481 VanDerWaalsContact NH1-N 3.12Å; I1477-L1481 WeakPolarHBondContact O-CB 3.24Å; I1477-L1481 PolarHBondContact O-N 3.33Å; L1478-L1481 PolarHBondContact O-N 3.1Å; D1479-L1481 VanDerWaalsContact C-N 3.34Å; D1479-L1481 PolarHBondContact O-N 3.11Å; L1481-W1485 HydrophobicContact CD1-CB 4.28Å; L1481-W1485 HydrophobicContact CD1-CG 4.14Å; L1481-W1485 WeakPolarHBondContact O-CB 3.34Å; L1481-W1485 PolarHBondContact O-N 3.31Å; L1481-Y1486 HydrophobicContact CD1-CE2 3.98Å; L1481-Y1486 HydrophobicContact CG-CE2 4.1Å; L1481-Y1486 WeakPolarHBondContact O-CD2 3.42Å |
| 1482 | L | 81.2 | Confident | 78.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.9 | -43.2 | 178.5 | -67.5 | 164.2 | 0 | 0 | 0 | 111.7 | M1327 F1334 L1478 D1479 T1480 Y1486 I1503 | M1327-L1482 HydrophobicContact CE-CD2 3.75Å; F1334-L1482 HydrophobicContact CD2-CD2 4.29Å; F1334-L1482 HydrophobicContact CE2-CD2 4.07Å; F1334-L1482 HydrophobicContact CE2-CG 4.45Å; L1478-L1482 WeakPolarHBondContact O-CD1 3.19Å; L1478-L1482 VanDerWaalsContact O-CG 3.25Å; L1478-L1482 WeakPolarHBondContact O-CG 3.46Å; L1478-L1482 PolarHBondContact O-N 2.98Å; D1479-L1482 PolarHBondContact O-N 3.22Å; T1480-L1482 VanDerWaalsContact C-N 3.34Å; L1482-Y1486 HydrophobicContact CD2-CD2 4.37Å; L1482-Y1486 CarbonylContact O-C 3.53Å; L1482-Y1486 VanDerWaalsContact O-CA 3.27Å; L1482-Y1486 WeakPolarHBondContact O-CA 3.21Å; L1482-Y1486 PolarHBondContact O-N 2.9Å; L1482-Y1486 VanDerWaalsContact O-N 3.08Å; L1482-I1503 HydrophobicContact CD1-CD1 3.74Å; L1482-I1503 HydrophobicContact CD2-CD1 4.04Å; L1482-I1503 HydrophobicContact CG-CD1 4.39Å |
| 1483 | E | 76 | Confident | 77.5 | Confident | 77 Ų | 77 | 31.5 Ų | 31.5 | 36% | 0.36 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.6 | -47.7 | 177.6 | -72.9 | 179 | -179.4 | 0 | 0 | 112.3 | D1479 P1487 | D1479-E1483 WeakPolarHBondContact O-CB 3.34Å; D1479-E1483 WeakPolarHBondContact O-CG 3.46Å; D1479-E1483 PolarHBondContact O-N 3.37Å; E1483-P1487 WeakPolarHBondContact O-CB 3.45Å |
| 1484 | D | 66.7 | Low | 76.7 | Confident | 31 Ų | 31 | 34.2 Ų | 34.2 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.3 | -33.8 | -172.2 | -62.8 | -18.4 | 0 | 0 | 0 | 113.9 | R1341 T1480 R1810 | R1341-D1484 IonicContact NH2-OD2 2.71Å; T1480-D1484 WeakPolarHBondContact O-CB 3.33Å; T1480-D1484 PolarHBondContact O-N 3.13Å; D1484-R1810 IonicContact OD1-CZ 3.69Å; D1484-R1810 VanDerWaalsContact OD1-CZ 3.23Å; D1484-R1810 IonicContact OD1-NH1 2.74Å; D1484-R1810 PolarHBondContact OD1-NH1 3.35Å; D1484-R1810 IonicContact OD1-NH2 3.94Å; D1484-R1810 PolarHBondContact OD1-NH2 3.26Å; D1484-R1810 IonicContact OD2-NH1 3.64Å; D1484-R1810 PolarHBondContact OD2-NH1 3.17Å |
| 1485 | W | 68.3 | Low | 75.7 | Confident | 85 Ų | 85 | 38.9 Ų | 38.9 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -113.2 | -20.1 | -172.7 | -64 | 86.2 | 0 | 0 | 0 | 114 | R1337 L1481 P1487 E1840 | R1337-W1485 VanDerWaalsContact NE-CD2 3.3Å; L1481-W1485 HydrophobicContact CD1-CB 4.28Å; L1481-W1485 HydrophobicContact CD1-CG 4.14Å; L1481-W1485 WeakPolarHBondContact O-CB 3.34Å; L1481-W1485 PolarHBondContact O-N 3.31Å; W1485-P1487 VanDerWaalsContact C-CD 3.47Å; W1485-E1840 WeakPolarHBondContact CH2-OE1 3.26Å |
| 1486 | Y | 73 | Confident | 74.8 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | trans | -134.5 | 48.5 | -177.4 | -48.9 | -70.6 | 0 | 0 | 0 | 112.1 | P1331 S1332 G1333 F1334 R1337 L1481 L1482 S1488 L1489 G1490 | P1331-Y1486 HydrophobicContact CB-CD1 3.63Å; P1331-Y1486 HydrophobicContact CB-CE1 3.73Å; P1331-Y1486 HydrophobicContact CB-CG 4.24Å; P1331-Y1486 HydrophobicContact CG-CD1 3.62Å; P1331-Y1486 HydrophobicContact CG-CD2 3.97Å; P1331-Y1486 HydrophobicContact CG-CE1 3.79Å; P1331-Y1486 HydrophobicContact CG-CE2 4.12Å; P1331-Y1486 HydrophobicContact CG-CG 3.72Å; S1332-Y1486 PolarHBondContact O-OH 3.17Å; G1333-Y1486 PolarHBondContact O-OH 2.85Å; F1334-Y1486 HydrophobicContact CD2-CE2 4.4Å; F1334-Y1486 PolarHBondContact N-OH 3.39Å; R1337-Y1486 PolarHBondContact NH1-OH 2.88Å; L1481-Y1486 HydrophobicContact CD1-CE2 3.98Å; L1481-Y1486 HydrophobicContact CG-CE2 4.1Å; L1481-Y1486 WeakPolarHBondContact O-CD2 3.42Å; L1482-Y1486 HydrophobicContact CD2-CD2 4.37Å; L1482-Y1486 CarbonylContact O-C 3.53Å; L1482-Y1486 VanDerWaalsContact O-CA 3.27Å; L1482-Y1486 WeakPolarHBondContact O-CA 3.21Å; L1482-Y1486 PolarHBondContact O-N 2.9Å; L1482-Y1486 VanDerWaalsContact O-N 3.08Å; Y1486-S1488 PolarHBondContact O-N 3.3Å; Y1486-L1489 WeakPolarHBondContact O-CA 3.31Å; Y1486-L1489 PolarHBondContact O-N 2.75Å; Y1486-G1490 PolarHBondContact O-N 2.83Å | ||
| 1487 | P | 65.4 | Low | 74.1 | Confident | 72 Ų | 72 | 40.3 Ų | 40.3 | 47% | 0.468 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58 | -25.1 | -165.6 | 20 | -33.5 | 0 | 0 | 0 | 115 | E1483 W1485 L1489 T1491 | E1483-P1487 WeakPolarHBondContact O-CB 3.45Å; W1485-P1487 VanDerWaalsContact C-CD 3.47Å; P1487-L1489 PolarHBondContact O-N 2.79Å; P1487-T1491 WeakPolarHBondContact O-CB 3.38Å; P1487-T1491 PolarHBondContact O-N 3.4Å; P1487-T1491 PolarHBondContact O-OG1 3.28Å |
| 1488 | S | 67.1 | Low | 73.2 | Confident | 79 Ų | 79 | 43.5 Ų | 43.5 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66 | -20.2 | 172.8 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | Y1486 L1502 | Y1486-S1488 PolarHBondContact O-N 3.3Å; S1488-L1502 WeakPolarHBondContact O-CD1 3.5Å |
| 1489 | L | 71.3 | Confident | 72.3 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -106.9 | -39.3 | 172.8 | -66.3 | 174.7 | 0 | 0 | 0 | 112 | Y1329 P1331 Y1486 P1487 L1502 I1503 | Y1329-L1489 HydrophobicContact CE1-CD1 4.4Å; Y1329-L1489 HydrophobicContact CE1-CD2 3.94Å; Y1329-L1489 HydrophobicContact CE2-CD1 3.97Å; P1331-L1489 HydrophobicContact CB-CD1 4.23Å; P1331-L1489 HydrophobicContact CG-CD1 3.92Å; Y1486-L1489 WeakPolarHBondContact O-CA 3.31Å; Y1486-L1489 PolarHBondContact O-N 2.75Å; P1487-L1489 PolarHBondContact O-N 2.79Å; L1489-L1502 HydrophobicContact CD2-CB 4.24Å; L1489-L1502 HydrophobicContact CD2-CD1 4.26Å; L1489-I1503 HydrophobicContact CB-CD1 4.25Å; L1489-I1503 WeakPolarHBondContact O-CD1 3.46Å |
| 1490 | G | 67.6 | Low | 71.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.3 | -31.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1486 R1492 | Y1486-G1490 PolarHBondContact O-N 2.83Å; G1490-R1492 PolarHBondContact O-N 3Å |
| 1491 | T | 71 | Confident | 71.6 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -56.6 | 113 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | P1487 I1494 | P1487-T1491 WeakPolarHBondContact O-CB 3.38Å; P1487-T1491 PolarHBondContact O-N 3.4Å; P1487-T1491 PolarHBondContact O-OG1 3.28Å; T1491-I1494 HydrophobicContact CG2-CD1 4.03Å; T1491-I1494 HydrophobicContact CG2-CG1 4.11Å |
| 1492 | R | 71.6 | Confident | 71.5 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 147 | -177.9 | -65 | -173.5 | 172.1 | -156.5 | 3.9 | 111.2 | D1479 G1490 I1494 C1696 | D1479-R1492 IonicContact OD2-CZ 2.76Å; D1479-R1492 IonicContact OD2-NE 3.67Å; D1479-R1492 IonicContact OD2-NH2 3.45Å; D1479-R1492 PolarHBondContact OD2-NH2 2.67Å; G1490-R1492 PolarHBondContact O-N 3Å; R1492-I1494 PolarHBondContact O-N 3.02Å; R1492-C1696 VanDerWaalsContact CZ-SG 3.55Å |
| 1493 | F | 71.6 | Confident | 71.7 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 9.2 | 178.6 | -45.9 | -78.3 | 0 | 0 | 0 | 117.5 | Y1501 E1576 V1688 Q1689 C1692 | F1493-Y1501 HydrophobicContact CB-CE1 4.2Å; F1493-Y1501 HydrophobicContact CD1-CE1 4.26Å; F1493-E1576 HydrophobicContact CE1-CB 4.5Å; F1493-E1576 HydrophobicContact CE1-CG 4.06Å; F1493-E1576 HydrophobicContact CZ-CG 4.06Å; F1493-V1688 HydrophobicContact CE1-CG1 4.1Å; F1493-V1688 HydrophobicContact CZ-CG1 4.45Å; F1493-Q1689 HydrophobicContact CD2-CB 4.44Å; F1493-Q1689 HydrophobicContact CD2-CG 4Å; F1493-Q1689 HydrophobicContact CE2-CB 4.11Å; F1493-Q1689 HydrophobicContact CE2-CG 3.88Å; F1493-Q1689 HydrophobicContact CZ-CB 4.26Å; F1493-C1692 HydrophobicContact CE2-CB 4.4Å; F1493-C1692 HydrophobicContact CZ-CB 4.03Å |
| 1494 | I | 70.5 | Confident | 72.3 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | trans | -67.3 | 134.5 | 168.1 | -64.3 | -175 | 0 | 0 | 0 | 110.8 | T1491 R1492 Y1501 L1502 | T1491-I1494 HydrophobicContact CG2-CD1 4.03Å; T1491-I1494 HydrophobicContact CG2-CG1 4.11Å; R1492-I1494 PolarHBondContact O-N 3.02Å; I1494-Y1501 WeakPolarHBondContact O-CA 3.43Å; I1494-L1502 HydrophobicContact CB-CD1 4.29Å; I1494-L1502 HydrophobicContact CB-CG 4.47Å; I1494-L1502 HydrophobicContact CG2-CD1 3.52Å; I1494-L1502 HydrophobicContact CG2-CG 3.93Å; I1494-L1502 PolarHBondContact O-N 3.19Å; I1494-L1502 VanDerWaalsContact O-N 3.12Å | ||
| 1495 | H | 70.7 | Confident | 73.5 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 45% | 0.454 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -134.2 | 158.8 | -174.3 | 64.7 | 86.3 | 0 | 0 | 0 | 115.2 | K1035 R1500 Y1501 | K1035-H1495 PolarHBondContact NZ-O 3.34Å; K1035-H1495 VanDerWaalsContact NZ-O 3.08Å; H1495-R1500 CarbonylContact C-O 3.53Å; H1495-R1500 WeakPolarHBondContact CA-O 3.24Å; H1495-Y1501 HydrophobicContact CB-CD1 4.14Å |
| 1496 | T | 71.3 | Confident | 74.7 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | trans | -70.3 | 168.8 | 169.1 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | K1035 E1498 G1499 R1500 L1502 | K1035-T1496 HydrophobicContact CB-CG2 4.38Å; K1035-T1496 HydrophobicContact CD-CG2 4.44Å; T1496-E1498 PolarHBondContact O-N 3.38Å; T1496-E1498 WeakPolarHBondContact OG1-CB 3.15Å; T1496-E1498 PolarHBondContact OG1-N 2.9Å; T1496-G1499 PolarHBondContact O-N 3.33Å; T1496-G1499 PolarHBondContact OG1-N 3.31Å; T1496-R1500 PolarHBondContact N-O 3.23Å; T1496-R1500 PolarHBondContact OG1-N 3.24Å; T1496-R1500 VanDerWaalsContact OG1-N 3.08Å; T1496-R1500 PolarHBondContact OG1-O 3.44Å; T1496-L1502 HydrophobicContact CG2-CD2 4.08Å | ||
| 1497 | S | 69.8 | Low | 75.6 | Confident | 91 Ų | 91 | 44.3 Ų | 44.3 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.8 | 168.1 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | D1032 G1499 | D1032-S1497 VanDerWaalsContact CG-N 3.34Å; D1032-S1497 PolarHBondContact OD1-N 2.94Å; D1032-S1497 WeakPolarHBondContact OD2-CA 3.28Å; D1032-S1497 WeakPolarHBondContact OD2-CB 3.37Å; D1032-S1497 PolarHBondContact OD2-N 3.27Å; D1032-S1497 PolarHBondContact OD2-OG 3.42Å; S1497-G1499 PolarHBondContact O-N 3.03Å |
| 1498 | E | 69.5 | Low | 76.8 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 8.8 | 169.5 | -56 | 164.6 | -153.6 | 0 | 0 | 113.6 | S1031 R1036 T1496 R1500 | S1031-E1498 WeakPolarHBondContact CB-OE1 3.45Å; S1031-E1498 PolarHBondContact OG-OE1 2.96Å; R1036-E1498 IonicContact CZ-OE1 2.87Å; R1036-E1498 IonicContact NE-OE1 2.72Å; R1036-E1498 VanDerWaalsContact NH2-CD 3.27Å; R1036-E1498 IonicContact NH2-OE1 2.85Å; R1036-E1498 PolarHBondContact NH2-OE1 3.4Å; R1036-E1498 IonicContact NH2-OE2 3.23Å; R1036-E1498 PolarHBondContact NH2-OE2 3.3Å; T1496-E1498 PolarHBondContact O-N 3.38Å; T1496-E1498 WeakPolarHBondContact OG1-CB 3.15Å; T1496-E1498 PolarHBondContact OG1-N 2.9Å; E1498-R1500 VanDerWaalsContact C-N 3.26Å; E1498-R1500 PolarHBondContact O-N 2.95Å; E1498-R1500 IonicContact OE2-NE 3.94Å |
| 1499 | G | 69.6 | Low | 77.9 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 75.9 | -4.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | T1496 S1497 | T1496-G1499 PolarHBondContact O-N 3.33Å; T1496-G1499 PolarHBondContact OG1-N 3.31Å; S1497-G1499 PolarHBondContact O-N 3.03Å |
| 1500 | R | 72.6 | Confident | 78.6 | Confident | 127 Ų | 127 | 38.1 Ų | 38.1 | 48% | 0.479 | 20% | 0.196 | S | C | . | . | trans | -79 | 132.3 | -175.3 | -56.9 | -178.9 | -178.5 | -164.9 | -0.6 | 111.6 | H1495 T1496 E1498 | H1495-R1500 CarbonylContact C-O 3.53Å; H1495-R1500 WeakPolarHBondContact CA-O 3.24Å; T1496-R1500 PolarHBondContact N-O 3.23Å; T1496-R1500 PolarHBondContact OG1-N 3.24Å; T1496-R1500 VanDerWaalsContact OG1-N 3.08Å; T1496-R1500 PolarHBondContact OG1-O 3.44Å; E1498-R1500 VanDerWaalsContact C-N 3.26Å; E1498-R1500 PolarHBondContact O-N 2.95Å; E1498-R1500 IonicContact OE2-NE 3.94Å | ||
| 1501 | Y | 76.4 | Confident | 79.5 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -68.2 | 146.8 | 174.9 | -61.4 | -58.7 | 0 | 0 | 0 | 112.5 | F1493 I1494 H1495 I1503 | F1493-Y1501 HydrophobicContact CB-CE1 4.2Å; F1493-Y1501 HydrophobicContact CD1-CE1 4.26Å; I1494-Y1501 WeakPolarHBondContact O-CA 3.43Å; H1495-Y1501 HydrophobicContact CB-CD1 4.14Å; Y1501-I1503 VanDerWaalsContact C-N 3.32Å |
| 1502 | L | 80.1 | Confident | 80.3 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -73.1 | -25.7 | 178.8 | -54.1 | -171.6 | 0 | 0 | 0 | 113.6 | K1035 V1328 S1488 L1489 I1494 T1496 | K1035-L1502 HydrophobicContact CB-CD2 4Å; V1328-L1502 HydrophobicContact CG2-CD2 4.37Å; V1328-L1502 WeakPolarHBondContact CG2-O 3.34Å; V1328-L1502 PolarHBondContact N-O 2.89Å; S1488-L1502 WeakPolarHBondContact O-CD1 3.5Å; L1489-L1502 HydrophobicContact CD2-CB 4.24Å; L1489-L1502 HydrophobicContact CD2-CD1 4.26Å; I1494-L1502 HydrophobicContact CB-CD1 4.29Å; I1494-L1502 HydrophobicContact CB-CG 4.47Å; I1494-L1502 HydrophobicContact CG2-CD1 3.52Å; I1494-L1502 HydrophobicContact CG2-CG 3.93Å; I1494-L1502 PolarHBondContact O-N 3.19Å; I1494-L1502 VanDerWaalsContact O-N 3.12Å; T1496-L1502 HydrophobicContact CG2-CD2 4.08Å |
| 1503 | I | 86.3 | Confident | 80.8 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 119.6 | 170 | -55.7 | -174.9 | 0 | 0 | 0 | 107.2 | Y1325 I1326 M1327 L1482 L1489 Y1501 R1505 | Y1325-I1503 HydrophobicContact CD1-CG2 3.96Å; I1326-I1503 CarbonylContact O-C 3.27Å; I1326-I1503 WeakPolarHBondContact O-CA 3.37Å; M1327-I1503 HydrophobicContact CE-CD1 3.99Å; M1327-I1503 HydrophobicContact CE-CG1 4.46Å; M1327-I1503 HydrophobicContact CG-CD1 4.47Å; M1327-I1503 HydrophobicContact CG-CG1 4.21Å; M1327-I1503 HydrophobicContact CG-CG2 4.25Å; L1482-I1503 HydrophobicContact CD1-CD1 3.74Å; L1482-I1503 HydrophobicContact CD2-CD1 4.04Å; L1482-I1503 HydrophobicContact CG-CD1 4.39Å; L1489-I1503 HydrophobicContact CB-CD1 4.25Å; L1489-I1503 WeakPolarHBondContact O-CD1 3.46Å; Y1501-I1503 VanDerWaalsContact C-N 3.32Å; I1503-R1505 HydrophobicContact CG2-CG 4.26Å |
| 1504 | T | 88.4 | Confident | 81.2 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.4 | 172.1 | -50.5 | 0 | 0 | 0 | 0 | 108.8 | I1326 L1506 T1574 | I1326-T1504 PolarHBondContact N-O 2.86Å; I1326-T1504 PolarHBondContact O-N 2.77Å; T1504-L1506 HydrophobicContact CG2-CD2 3.76Å; T1504-L1506 HydrophobicContact CG2-CG 4Å; T1504-T1574 HydrophobicContact CG2-CG2 4.39Å |
| 1505 | R | 92 | Very high | 81.7 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 105.2 | -178 | -66 | 177.9 | -172.6 | 70.4 | 7.9 | 109.3 | Y1325 D1479 I1503 T1574 I1575 E1576 | Y1325-R1505 HydrophobicContact CD1-CG 3.89Å; Y1325-R1505 HydrophobicContact CE1-CG 3.72Å; Y1325-R1505 HydrophobicContact CG-CG 4.44Å; D1479-R1505 IonicContact OD1-CZ 3.86Å; D1479-R1505 VanDerWaalsContact OD1-CZ 3.26Å; D1479-R1505 IonicContact OD1-NE 2.76Å; D1479-R1505 PolarHBondContact OD1-NE 2.86Å; D1479-R1505 IonicContact OD1-NH2 3.81Å; D1479-R1505 PolarHBondContact OD1-NH2 3.37Å; D1479-R1505 IonicContact OD2-CZ 2.84Å; D1479-R1505 IonicContact OD2-NE 2.67Å; D1479-R1505 PolarHBondContact OD2-NE 3.46Å; D1479-R1505 IonicContact OD2-NH2 3.71Å; I1503-R1505 HydrophobicContact CG2-CG 4.26Å; R1505-T1574 CarbonylContact O-C 3.32Å; R1505-T1574 WeakPolarHBondContact O-CA 3.41Å; R1505-I1575 HydrophobicContact CB-CB 4.3Å; R1505-I1575 HydrophobicContact CB-CG2 3.51Å; R1505-I1575 HydrophobicContact CG-CG2 4.28Å; R1505-I1575 PolarHBondContact O-N 3.4Å; R1505-E1576 IonicContact NH1-OE1 3.05Å; R1505-E1576 PolarHBondContact NH1-OE1 2.82Å |
| 1506 | L | 92.1 | Very high | 82 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.5 | -172.5 | -66.4 | -178.1 | 0 | 0 | 0 | 113.6 | L1324 I1326 Y1419 L1428 T1504 C1572 F1573 T1574 | L1324-L1506 HydrophobicContact CB-CB 4.3Å; L1324-L1506 PolarHBondContact N-O 2.88Å; L1324-L1506 PolarHBondContact O-N 3.15Å; I1326-L1506 HydrophobicContact CD1-CD1 4.25Å; I1326-L1506 HydrophobicContact CG1-CD1 3.71Å; I1326-L1506 HydrophobicContact CG1-CG 4.21Å; Y1419-L1506 HydrophobicContact CG-CD2 4.41Å; L1428-L1506 HydrophobicContact CD2-CD1 4.06Å; T1504-L1506 HydrophobicContact CG2-CD2 3.76Å; T1504-L1506 HydrophobicContact CG2-CG 4Å; L1506-C1572 HydrophobicContact CB-CB 4.16Å; L1506-C1572 HydrophobicContact CD1-CB 4.04Å; L1506-C1572 HydrophobicContact CD2-CB 4.09Å; L1506-C1572 HydrophobicContact CG-CB 4.33Å; L1506-F1573 WeakPolarHBondContact CA-O 3.19Å; L1506-T1574 HydrophobicContact CD2-CG2 4.07Å |
| 1507 | V | 93.2 | Very high | 82.1 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 100.6 | 170.5 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | C1572 F1573 I1575 I1601 | V1507-C1572 WeakPolarHBondContact O-CA 3.28Å; V1507-F1573 PolarHBondContact N-O 3.3Å; V1507-F1573 PolarHBondContact O-N 2.95Å; V1507-I1575 HydrophobicContact CG2-CB 4.43Å; V1507-I1575 HydrophobicContact CG2-CD1 3.81Å; V1507-I1601 HydrophobicContact CG1-CB 3.83Å; V1507-I1601 HydrophobicContact CG1-CD1 4.32Å; V1507-I1601 HydrophobicContact CG1-CG1 4.23Å; V1507-I1601 WeakPolarHBondContact CG1-O 3.49Å |
| 1508 | P | 90.8 | Very high | 82.3 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 147 | 177.9 | 29.9 | -34.5 | 0 | 0 | 0 | 111.6 | R1322 P1510 T1513 L1570 | R1322-P1508 HydrophobicContact CB-CG 3.94Å; P1508-P1510 WeakPolarHBondContact O-CD 3.46Å; P1508-T1513 HydrophobicContact CB-CG2 3.88Å; P1508-T1513 HydrophobicContact CG-CG2 4.28Å; P1508-L1570 HydrophobicContact CB-CD1 4.07Å; P1508-L1570 HydrophobicContact CB-CD2 4.48Å; P1508-L1570 HydrophobicContact CB-CG 4.5Å |
| 1509 | C | 90.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -65 | 123.6 | 172.1 | 174.9 | 0 | 0 | 0 | 0 | 111 | Q1511 C1512 T1513 Y1571 F1573 L1596 | C1509-Q1511 VanDerWaalsContact C-N 3.29Å; C1509-Q1511 PolarHBondContact O-N 3.49Å; C1509-C1512 HydrophobicContact CB-CB 3.91Å; C1509-C1512 WeakPolarHBondContact O-CB 3.45Å; C1509-C1512 PolarHBondContact O-N 3.19Å; C1509-T1513 PolarHBondContact O-N 3.08Å; C1509-T1513 PolarHBondContact O-OG1 3.04Å; C1509-Y1571 WeakPolarHBondContact CB-O 3.25Å; C1509-Y1571 PolarHBondContact N-O 3.21Å; C1509-F1573 HydrophobicContact CB-CE2 4.49Å; C1509-L1596 HydrophobicContact CB-CD1 4.11Å | ||
| 1510 | P | 85.2 | Confident | 81.9 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 16% | 0.156 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -36.8 | -179.3 | -27.4 | 36 | 0 | 0 | 0 | 113.7 | P1508 T1513 V1514 I1601 | P1508-P1510 WeakPolarHBondContact O-CD 3.46Å; P1510-T1513 WeakPolarHBondContact CA-OG1 3.37Å; P1510-T1513 PolarHBondContact O-N 3.16Å; P1510-T1513 PolarHBondContact O-OG1 3.08Å; P1510-V1514 WeakPolarHBondContact O-CG2 3.48Å; P1510-V1514 PolarHBondContact O-N 2.95Å; P1510-I1601 HydrophobicContact CG-CG2 3.97Å |
| 1511 | Q | 86.1 | Confident | 81.3 | Confident | 105 Ų | 105 | 36.3 Ų | 36.3 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.5 | -45.8 | -179.7 | -61.9 | -174.6 | 11.8 | 0 | 0 | 111.2 | C1509 T1513 V1514 E1515 H1593 | C1509-Q1511 VanDerWaalsContact C-N 3.29Å; C1509-Q1511 PolarHBondContact O-N 3.49Å; Q1511-T1513 VanDerWaalsContact C-N 3.29Å; Q1511-T1513 PolarHBondContact O-N 2.7Å; Q1511-V1514 PolarHBondContact O-N 2.94Å; Q1511-V1514 VanDerWaalsContact O-N 3.16Å; Q1511-E1515 WeakPolarHBondContact O-CG 3.34Å; Q1511-E1515 PolarHBondContact O-N 3.17Å; Q1511-H1593 HydrophobicContact CB-CB 4.34Å; Q1511-H1593 PolarHBondContact OE1-CD2 2.96Å |
| 1512 | C | 88.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55 | -41.2 | 169.4 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | C1509 E1515 A1516 L1570 H1593 | C1509-C1512 HydrophobicContact CB-CB 3.91Å; C1509-C1512 WeakPolarHBondContact O-CB 3.45Å; C1509-C1512 PolarHBondContact O-N 3.19Å; C1512-E1515 PolarHBondContact O-N 3.24Å; C1512-A1516 WeakPolarHBondContact O-CB 3.38Å; C1512-A1516 PolarHBondContact O-N 3.49Å; C1512-L1570 HydrophobicContact CB-CD1 3.5Å; C1512-L1570 VanDerWaalsContact CB-CD1 3.5Å; C1512-H1593 PolarHBondContact N-CE1 2.92Å; C1512-H1593 PolarHBondContact SG-CE1 3.32Å; C1512-H1593 PolarHBondContact SG-ND1 3.5Å |
| 1513 | T | 83 | Confident | 79.2 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -34.1 | 178.9 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | I1410 P1508 C1509 P1510 Q1511 S1517 L1570 | I1410-T1513 HydrophobicContact CD1-CG2 4Å; P1508-T1513 HydrophobicContact CB-CG2 3.88Å; P1508-T1513 HydrophobicContact CG-CG2 4.28Å; C1509-T1513 PolarHBondContact O-N 3.08Å; C1509-T1513 PolarHBondContact O-OG1 3.04Å; P1510-T1513 WeakPolarHBondContact CA-OG1 3.37Å; P1510-T1513 PolarHBondContact O-N 3.16Å; P1510-T1513 PolarHBondContact O-OG1 3.08Å; Q1511-T1513 VanDerWaalsContact C-N 3.29Å; Q1511-T1513 PolarHBondContact O-N 2.7Å; T1513-S1517 WeakPolarHBondContact O-CB 3.5Å; T1513-S1517 PolarHBondContact O-N 3.25Å; T1513-S1517 PolarHBondContact O-OG 2.84Å; T1513-L1570 HydrophobicContact CG2-CD1 3.71Å; T1513-L1570 HydrophobicContact CG2-CD2 4.42Å |
| 1514 | V | 80 | Confident | 77.5 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.6 | -32.5 | 175.2 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | P1510 Q1511 S1517 K1518 | P1510-V1514 WeakPolarHBondContact O-CG2 3.48Å; P1510-V1514 PolarHBondContact O-N 2.95Å; Q1511-V1514 PolarHBondContact O-N 2.94Å; Q1511-V1514 VanDerWaalsContact O-N 3.16Å; V1514-S1517 PolarHBondContact O-OG 3.5Å; V1514-K1518 HydrophobicContact CG1-CD 4.27Å; V1514-K1518 WeakPolarHBondContact O-CB 3.4Å; V1514-K1518 VanDerWaalsContact O-CD 3.29Å; V1514-K1518 WeakPolarHBondContact O-CD 3.19Å; V1514-K1518 WeakPolarHBondContact O-CG 3.26Å; V1514-K1518 PolarHBondContact O-N 3.14Å |
| 1515 | E | 80.3 | Confident | 75.6 | Confident | 87 Ų | 87 | 48 Ų | 48 | 41% | 0.407 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -71.9 | -44.6 | 172.3 | -71.9 | 161.5 | 176.7 | 0 | 0 | 111.7 | Q1511 C1512 S1517 K1518 L1519 H1593 | Q1511-E1515 WeakPolarHBondContact O-CG 3.34Å; Q1511-E1515 PolarHBondContact O-N 3.17Å; C1512-E1515 PolarHBondContact O-N 3.24Å; E1515-S1517 PolarHBondContact O-N 2.81Å; E1515-K1518 PolarHBondContact O-N 2.75Å; E1515-L1519 WeakPolarHBondContact O-CG 3.29Å; E1515-L1519 PolarHBondContact O-N 2.88Å; E1515-H1593 IonicContact OE1-CD2 2.91Å; E1515-H1593 IonicContact OE1-CE1 3.69Å; E1515-H1593 IonicContact OE1-NE2 3.87Å; E1515-H1593 PolarHBondContact OE1-NE2 3.12Å; E1515-H1593 IonicContact OE2-CE1 3.97Å; E1515-H1593 PolarHBondContact OE2-CE1 3.46Å; E1515-H1593 IonicContact OE2-NE2 2.69Å; E1515-H1593 PolarHBondContact OE2-NE2 3.01Å |
| 1516 | A | 77.5 | Confident | 73.2 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1415 C1512 L1519 V1520 | L1415-A1516 HydrophobicContact CD1-CB 3.83Å; L1415-A1516 HydrophobicContact CD2-CB 3.98Å; C1512-A1516 WeakPolarHBondContact O-CB 3.38Å; C1512-A1516 PolarHBondContact O-N 3.49Å; A1516-L1519 PolarHBondContact O-N 3.2Å; A1516-V1520 WeakPolarHBondContact O-CG2 3.49Å; A1516-V1520 PolarHBondContact O-N 3Å |
| 1517 | S | 73 | Confident | 70.8 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70 | -39.2 | 177.6 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | E1409 T1513 V1514 E1515 L1519 V1520 I1521 | E1409-S1517 VanDerWaalsContact O-CA 3.3Å; E1409-S1517 WeakPolarHBondContact O-CA 3.1Å; E1409-S1517 WeakPolarHBondContact O-CB 3.08Å; T1513-S1517 WeakPolarHBondContact O-CB 3.5Å; T1513-S1517 PolarHBondContact O-N 3.25Å; T1513-S1517 PolarHBondContact O-OG 2.84Å; V1514-S1517 PolarHBondContact O-OG 3.5Å; E1515-S1517 PolarHBondContact O-N 2.81Å; S1517-L1519 VanDerWaalsContact C-N 3.26Å; S1517-L1519 PolarHBondContact O-N 2.99Å; S1517-V1520 PolarHBondContact O-N 3.13Å; S1517-I1521 VanDerWaalsContact O-CG1 3.29Å; S1517-I1521 WeakPolarHBondContact O-CG1 3.35Å; S1517-I1521 PolarHBondContact O-N 2.99Å |
| 1518 | K | 73 | Confident | 68 | Low | 131 Ų | 131 | 65.2 Ų | 65.2 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.2 | -41.2 | 169.5 | -76.3 | 166.6 | -173.1 | 169.9 | 0 | 111.6 | V1514 E1515 I1521 S1522 | V1514-K1518 HydrophobicContact CG1-CD 4.27Å; V1514-K1518 WeakPolarHBondContact O-CB 3.4Å; V1514-K1518 VanDerWaalsContact O-CD 3.29Å; V1514-K1518 WeakPolarHBondContact O-CD 3.19Å; V1514-K1518 WeakPolarHBondContact O-CG 3.26Å; V1514-K1518 PolarHBondContact O-N 3.14Å; E1515-K1518 PolarHBondContact O-N 2.75Å; K1518-I1521 PolarHBondContact O-N 3.24Å; K1518-S1522 WeakPolarHBondContact O-CB 3.48Å; K1518-S1522 PolarHBondContact O-N 3.35Å |
| 1519 | L | 68.1 | Low | 65 | Low | 90 Ų | 90 | 69.9 Ų | 69.9 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 177.3 | -75 | 169 | 0 | 0 | 0 | 112.1 | E1515 A1516 S1517 I1521 S1522 A1523 A1568 | E1515-L1519 WeakPolarHBondContact O-CG 3.29Å; E1515-L1519 PolarHBondContact O-N 2.88Å; A1516-L1519 PolarHBondContact O-N 3.2Å; S1517-L1519 VanDerWaalsContact C-N 3.26Å; S1517-L1519 PolarHBondContact O-N 2.99Å; L1519-I1521 PolarHBondContact O-N 3.07Å; L1519-S1522 WeakPolarHBondContact CA-OG 3.44Å; L1519-S1522 PolarHBondContact O-N 2.84Å; L1519-S1522 VanDerWaalsContact O-N 3.16Å; L1519-S1522 PolarHBondContact O-OG 2.95Å; L1519-A1523 PolarHBondContact O-N 3.46Å; L1519-A1568 HydrophobicContact CD1-CB 3.55Å |
| 1520 | V | 62.5 | Low | 62.2 | Low | 26 Ų | 26 | 79.3 Ų | 79.3 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 173.5 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A1516 S1517 S1522 A1523 Q1524 | A1516-V1520 WeakPolarHBondContact O-CG2 3.49Å; A1516-V1520 PolarHBondContact O-N 3Å; S1517-V1520 PolarHBondContact O-N 3.13Å; V1520-S1522 VanDerWaalsContact C-N 3.31Å; V1520-S1522 PolarHBondContact O-N 3.42Å; V1520-A1523 PolarHBondContact O-N 2.65Å; V1520-Q1524 WeakPolarHBondContact O-CG 3.47Å; V1520-Q1524 PolarHBondContact O-N 2.94Å |
| 1521 | I | 61.2 | Low | 59.5 | Low | 80 Ų | 80 | 83.7 Ų | 83.7 | 41% | 0.41 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 177.1 | -66.4 | 163.8 | 0 | 0 | 0 | 111.4 | S1517 K1518 L1519 K1525 | S1517-I1521 VanDerWaalsContact O-CG1 3.29Å; S1517-I1521 WeakPolarHBondContact O-CG1 3.35Å; S1517-I1521 PolarHBondContact O-N 2.99Å; K1518-I1521 PolarHBondContact O-N 3.24Å; L1519-I1521 PolarHBondContact O-N 3.07Å; I1521-K1525 HydrophobicContact CG2-CD 4.41Å; I1521-K1525 WeakPolarHBondContact O-CG 3.46Å; I1521-K1525 PolarHBondContact O-N 3.26Å |
| 1522 | S | 56.8 | Low | 56.7 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 43% | 0.427 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.8 | -38.8 | 176.3 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | K1518 L1519 V1520 K1525 S1526 | K1518-S1522 WeakPolarHBondContact O-CB 3.48Å; K1518-S1522 PolarHBondContact O-N 3.35Å; L1519-S1522 WeakPolarHBondContact CA-OG 3.44Å; L1519-S1522 PolarHBondContact O-N 2.84Å; L1519-S1522 VanDerWaalsContact O-N 3.16Å; L1519-S1522 PolarHBondContact O-OG 2.95Å; V1520-S1522 VanDerWaalsContact C-N 3.31Å; V1520-S1522 PolarHBondContact O-N 3.42Å; S1522-K1525 PolarHBondContact O-N 2.96Å; S1522-S1526 PolarHBondContact O-N 3.23Å; S1522-S1526 VanDerWaalsContact O-N 3.11Å |
| 1523 | A | 54.4 | Low | 53.8 | Low | 45 Ų | 45 | 92.4 Ų | 92.4 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1519 V1520 K1525 S1526 E1527 | L1519-A1523 PolarHBondContact O-N 3.46Å; V1520-A1523 PolarHBondContact O-N 2.65Å; A1523-K1525 VanDerWaalsContact C-N 3.31Å; A1523-K1525 PolarHBondContact O-N 2.92Å; A1523-S1526 WeakPolarHBondContact CA-OG 3.48Å; A1523-S1526 WeakPolarHBondContact O-CA 3.5Å; A1523-S1526 PolarHBondContact O-N 2.66Å; A1523-S1526 PolarHBondContact O-OG 3.41Å; A1523-E1527 PolarHBondContact O-N 2.83Å |
| 1524 | Q | 51.7 | Low | 51.2 | Low | 102 Ų | 102 | 97.4 Ų | 97.4 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.3 | -41 | 175.7 | -73.6 | 179.5 | -21.2 | 0 | 0 | 112.7 | V1520 S1526 E1527 | V1520-Q1524 WeakPolarHBondContact O-CG 3.47Å; V1520-Q1524 PolarHBondContact O-N 2.94Å; Q1524-S1526 PolarHBondContact O-N 2.56Å; Q1524-E1527 PolarHBondContact O-N 3.22Å |
| 1525 | K | 47.5 | Very low | 48.6 | Very low | 150 Ų | 150 | 101.4 Ų | 101.4 | 65% | 0.652 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.6 | -15 | 174.2 | -72.7 | 175.4 | -179.3 | 175.3 | 0 | 114.6 | I1521 S1522 A1523 | I1521-K1525 HydrophobicContact CG2-CD 4.41Å; I1521-K1525 WeakPolarHBondContact O-CG 3.46Å; I1521-K1525 PolarHBondContact O-N 3.26Å; S1522-K1525 PolarHBondContact O-N 2.96Å; A1523-K1525 VanDerWaalsContact C-N 3.31Å; A1523-K1525 PolarHBondContact O-N 2.92Å |
| 1526 | S | 43.1 | Very low | 46.1 | Very low | 93 Ų | 93 | 101.9 Ų | 101.9 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -92.9 | -12.1 | 175 | 71.2 | 0 | 0 | 0 | 0 | 113.5 | S1522 A1523 Q1524 | S1522-S1526 PolarHBondContact O-N 3.23Å; S1522-S1526 VanDerWaalsContact O-N 3.11Å; A1523-S1526 WeakPolarHBondContact CA-OG 3.48Å; A1523-S1526 WeakPolarHBondContact O-CA 3.5Å; A1523-S1526 PolarHBondContact O-N 2.66Å; A1523-S1526 PolarHBondContact O-OG 3.41Å; Q1524-S1526 PolarHBondContact O-N 2.56Å |
| 1527 | E | 40.1 | Very low | 43.7 | Very low | 135 Ų | 135 | 106.2 Ų | 106.2 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | trans | -103.7 | 13.1 | -179.5 | -68.7 | -168.3 | 144.2 | 0 | 0 | 114.1 | A1523 Q1524 S1529 W1530 | A1523-E1527 PolarHBondContact O-N 2.83Å; Q1524-E1527 PolarHBondContact O-N 3.22Å; E1527-S1529 PolarHBondContact O-N 2.82Å; E1527-W1530 PolarHBondContact O-N 3.47Å | ||
| 1528 | D | 34.6 | Very low | 41.4 | Very low | 147 Ų | 147 | 111.5 Ų | 111.5 | 79% | 0.786 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 24.6 | 172 | -88.5 | -35.3 | 0 | 0 | 0 | 114.2 | ||
| 1529 | S | 29.1 | Very low | 39.1 | Very low | 103 Ų | 103 | 113.3 Ų | 113.3 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 15.9 | 179.8 | -171.2 | 0 | 0 | 0 | 0 | 114.4 | E1527 | E1527-S1529 PolarHBondContact O-N 2.82Š|
| 1530 | W | 31.3 | Very low | 37 | Very low | 199 Ų | 199 | 114.7 Ų | 114.7 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | trans | -123.8 | 111 | 177.1 | -82.4 | 100 | 0 | 0 | 0 | 116.1 | E1527 L1532 | E1527-W1530 PolarHBondContact O-N 3.47Å; W1530-L1532 PolarHBondContact O-N 3.24Å; W1530-L1532 VanDerWaalsContact O-N 3.11Å | ||
| 1531 | T | 28 | Very low | 35.2 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | trans | -68 | 94.7 | 163.4 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1532 | L | 27 | Very low | 33.5 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | trans | -140.3 | 24.3 | -179.4 | -117 | 173.5 | 0 | 0 | 0 | 116.9 | W1530 | W1530-L1532 PolarHBondContact O-N 3.24Å; W1530-L1532 VanDerWaalsContact O-N 3.11Å | ||
| 1533 | L | 28.4 | Very low | 32 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -122 | 8.8 | 168.8 | -100.2 | 168.6 | 0 | 0 | 0 | 114.8 | ||
| 1534 | T | 27.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -108.1 | 11.3 | -177.5 | -9.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1535 | L | 26.3 | Very low | 29.4 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -116.2 | 6.8 | -175.8 | -86.1 | 166.5 | 0 | 0 | 0 | 115 | ||
| 1536 | A | 27.2 | Very low | 28.3 | Very low | 98 Ų | 98 | 131 Ų | 131 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -92.5 | 1.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1537 | S | 26.5 | Very low | 27.7 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -144.3 | 7.4 | -168 | 54.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1538 | N | 24.6 | Very low | 27.2 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -159.7 | 108.3 | 168 | -95.8 | -45.3 | 0 | 0 | 0 | 111 | ||||
| 1539 | M | 24.9 | Very low | 26.8 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 84% | 0.837 | 75% | 0.75 | S | S | * | * | trans | 173.9 | 109.6 | 141.5 | -100.1 | -60.2 | 164.7 | 0 | 0 | 111.2 | ||||
| 1540 | C | 24.9 | Very low | 26.6 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -172.2 | 73.5 | 155.4 | -104.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1541 | V | 25.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | -136.1 | 94.6 | 162.3 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1542 | N | 24.6 | Very low | 26.8 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | 73.1 | 134.3 | 145.8 | -71 | -2.8 | 0 | 0 | 0 | 123.5 | ||||
| 1543 | V | 25.8 | Very low | 26.8 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 106.3 | 91.1 | 138.8 | 166.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1544 | E | 23.9 | Very low | 26.8 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | 76.7 | 148.9 | 122.1 | -66.4 | 168.3 | -172.9 | 0 | 0 | 125.7 | |||||
| 1545 | S | 26.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 82.5 | 109 | 161.4 | 62.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1546 | D | 26.3 | Very low | 26.8 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | 46.4 | 132.3 | 124.9 | -51.2 | -3.8 | 0 | 0 | 0 | 119.6 | |||||
| 1547 | N | 29.7 | Very low | 26.7 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -168.5 | 167.7 | 36.1 | -128.9 | -36 | 0 | 0 | 0 | 114 | ||||
| 1548 | A | 28.8 | Very low | 26.9 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | trans | 56.6 | 93 | 152.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1549 | L | 25.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | 59.3 | 131.9 | 115.6 | -70 | 166.8 | 0 | 0 | 0 | 125.2 | |||||
| 1550 | D | 26.2 | Very low | 27.1 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | 100.7 | 134.6 | 134.8 | -77.3 | -36.4 | 0 | 0 | 0 | 125.1 | ||||
| 1551 | H | 28.3 | Very low | 27.2 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 73.7 | 149 | 168.6 | -67.4 | -49.6 | 0 | 0 | 0 | 121.7 | ||||
| 1552 | P | 35 | Very low | 27.5 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | trans | -129.4 | 110.8 | -150.2 | 35.3 | -14.3 | 0 | 0 | 0 | 115.2 | ||||
| 1553 | F | 26.4 | Very low | 27.8 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -154 | 163.4 | 174.5 | -79.2 | -78.4 | 0 | 0 | 0 | 110.7 | ||||
| 1554 | P | 28.5 | Very low | 28.2 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | -124.7 | -159.4 | -57.3 | 32 | -13.5 | 0 | 0 | 0 | 109.5 | V1556 | P1554-V1556 PolarHBondContact O-N 3.44Š| |||
| 1555 | A | 26.8 | Very low | 29 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -56.1 | 131.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q1557 | A1555-Q1557 VanDerWaalsContact C-N 3.31Å; A1555-Q1557 PolarHBondContact O-N 3.47Å |
| 1556 | V | 28.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | trans | -71.5 | 88.8 | -177.6 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | P1554 I1558 | P1554-V1556 PolarHBondContact O-N 3.44Å; V1556-I1558 HydrophobicContact CG1-CG1 4.41Å; V1556-I1558 PolarHBondContact O-N 2.92Å; V1556-I1558 VanDerWaalsContact O-N 3.11Å | ||
| 1557 | Q | 23.7 | Very low | 31.7 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | trans | -55.9 | 112.1 | 149.2 | -75.2 | -173.1 | -16.4 | 0 | 0 | 107.2 | A1555 K1559 | A1555-Q1557 VanDerWaalsContact C-N 3.31Å; A1555-Q1557 PolarHBondContact O-N 3.47Å; Q1557-K1559 PolarHBondContact O-N 3.01Å | ||
| 1558 | I | 30.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 74% | 0.744 | 72% | 0.715 | S | S | * | * | trans | -66.8 | 89.2 | 159.3 | -59.8 | 177.9 | 0 | 0 | 0 | 106 | V1556 K1560 | V1556-I1558 HydrophobicContact CG1-CG1 4.41Å; V1556-I1558 PolarHBondContact O-N 2.92Å; V1556-I1558 VanDerWaalsContact O-N 3.11Å; I1558-K1560 HydrophobicContact CG2-CG 4.1Å; I1558-K1560 PolarHBondContact O-N 2.83Å | ||
| 1559 | K | 24.2 | Very low | 36.2 | Very low | 175 Ų | 175 | 127 Ų | 127 | 76% | 0.761 | 69% | 0.693 | S | S | * | * | trans | -68.4 | 75 | 163.9 | -82.4 | -170.7 | 173.4 | -178.6 | 0 | 108.5 | Q1557 K1561 | Q1557-K1559 PolarHBondContact O-N 3.01Å; K1559-K1561 PolarHBondContact O-N 2.72Å; K1559-K1561 VanDerWaalsContact O-N 3.13Å | ||
| 1560 | K | 29.9 | Very low | 39.1 | Very low | 162 Ų | 162 | 119.6 Ų | 119.6 | 70% | 0.704 | 65% | 0.654 | S | S | * | * | trans | -55.9 | 117.2 | 157.2 | -94.5 | -173.8 | 174.9 | -178.1 | 0 | 106.7 | I1558 T1562 | I1558-K1560 HydrophobicContact CG2-CG 4.1Å; I1558-K1560 PolarHBondContact O-N 2.83Å; K1560-T1562 PolarHBondContact O-N 2.83Å | ||
| 1561 | K | 27.2 | Very low | 42.2 | Very low | 213 Ų | 213 | 114.3 Ų | 114.3 | 93% | 0.926 | 63% | 0.625 | S | S | * | * | trans | -72.1 | 72.8 | 160 | -86.4 | -173.6 | 164.9 | -172.1 | 0 | 108.4 | K1559 | K1559-K1561 PolarHBondContact O-N 2.72Å; K1559-K1561 VanDerWaalsContact O-N 3.13Å | ||
| 1562 | T | 31.5 | Very low | 45.3 | Very low | 68 Ų | 68 | 106 Ų | 106 | 42% | 0.417 | 59% | 0.587 | S | S | . | * | trans | -133.1 | 89.6 | 161.1 | 46 | 0 | 0 | 0 | 0 | 107.9 | K1560 G1564 T1565 | K1560-T1562 PolarHBondContact O-N 2.83Å; T1562-G1564 PolarHBondContact O-N 2.79Å; T1562-T1565 WeakPolarHBondContact CB-OG1 3.29Å; T1562-T1565 HydrophobicContact CG2-CG2 4.35Å; T1562-T1565 PolarHBondContact OG1-OG1 3.4Å | ||
| 1563 | E | 30.5 | Very low | 48 | Very low | 208 Ų | 208 | 101.2 Ų | 101.2 | 97% | 0.972 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 122 | 159.2 | -66 | 168.5 | 137.5 | 0 | 0 | 106.8 | ||
| 1564 | G | 33.9 | Very low | 51 | Low | 80 Ų | 80 | 92.6 Ų | 92.6 | 83% | 0.825 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | T1562 | T1562-G1564 PolarHBondContact O-N 2.79Š|
| 1565 | T | 40.8 | Very low | 54 | Low | 94 Ų | 94 | 88.4 Ų | 88.4 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | trans | -129.2 | 95.5 | 161.7 | 60.4 | 0 | 0 | 0 | 0 | 111 | T1562 | T1562-T1565 WeakPolarHBondContact CB-OG1 3.29Å; T1562-T1565 HydrophobicContact CG2-CG2 4.35Å; T1562-T1565 PolarHBondContact OG1-OG1 3.4Å | ||
| 1566 | D | 52.3 | Low | 57 | Low | 165 Ų | 165 | 84.9 Ų | 84.9 | 88% | 0.882 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 147.2 | 172.7 | -81 | -59 | 0 | 0 | 0 | 111.9 | A1568 | D1566-A1568 PolarHBondContact O-N 3.16Š|
| 1567 | A | 58.3 | Low | 59.9 | Low | 71 Ų | 71 | 79.5 Ų | 79.5 | 59% | 0.587 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 123.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | C1569 | A1567-C1569 PolarHBondContact O-N 3.31Š|
| 1568 | A | 69.4 | Low | 63.1 | Low | 30 Ų | 30 | 72.4 Ų | 72.4 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 123 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1415 S1416 L1519 D1566 | L1415-A1568 HydrophobicContact CD2-CB 3.72Å; S1416-A1568 PolarHBondContact N-O 2.9Å; L1519-A1568 HydrophobicContact CD1-CB 3.55Å; D1566-A1568 PolarHBondContact O-N 3.16Å |
| 1569 | C | 82.7 | Confident | 66 | Low | 28 Ų | 28 | 65.8 Ų | 65.8 | 19% | 0.189 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.9 | -169.3 | -171 | 0 | 0 | 0 | 0 | 110.2 | S1416 K1418 A1567 Y1571 | S1416-C1569 WeakPolarHBondContact O-CA 3.49Å; K1418-C1569 WeakPolarHBondContact CD-SG 3.23Å; K1418-C1569 WeakPolarHBondContact CE-SG 3.07Å; K1418-C1569 PolarHBondContact NZ-SG 2.93Å; A1567-C1569 PolarHBondContact O-N 3.31Å; C1569-Y1571 HydrophobicContact CB-CD2 4.42Å; C1569-Y1571 HydrophobicContact CB-CE2 3.75Å; C1569-Y1571 WeakPolarHBondContact SG-CE2 3.19Å |
| 1570 | L | 87.7 | Confident | 69.2 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 103 | 177.2 | 178.1 | 54.6 | 0 | 0 | 0 | 108.8 | Y1412 L1415 S1416 L1417 K1418 P1508 C1512 T1513 | Y1412-L1570 HydrophobicContact CD1-CD2 3.97Å; Y1412-L1570 HydrophobicContact CE1-CD2 3.78Å; L1415-L1570 HydrophobicContact CD1-CD2 4.35Å; S1416-L1570 PolarHBondContact O-N 2.72Å; L1417-L1570 WeakPolarHBondContact CA-O 3.32Å; L1417-L1570 HydrophobicContact CD1-CD2 4.35Å; L1417-L1570 HydrophobicContact CG-CB 4.33Å; L1417-L1570 HydrophobicContact CG-CD2 4.18Å; L1417-L1570 HydrophobicContact CG-CG 4.45Å; K1418-L1570 PolarHBondContact N-O 3.28Å; P1508-L1570 HydrophobicContact CB-CD1 4.07Å; P1508-L1570 HydrophobicContact CB-CD2 4.48Å; P1508-L1570 HydrophobicContact CB-CG 4.5Å; C1512-L1570 HydrophobicContact CB-CD1 3.5Å; C1512-L1570 VanDerWaalsContact CB-CD1 3.5Å; T1513-L1570 HydrophobicContact CG2-CD1 3.71Å; T1513-L1570 HydrophobicContact CG2-CD2 4.42Å |
| 1571 | Y | 91.5 | Very high | 72.1 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.2 | 176 | -63.7 | -92.8 | 0 | 0 | 0 | 110.4 | K1418 W1425 C1509 C1569 P1591 E1592 | K1418-Y1571 HydrophobicContact CB-CD1 4.08Å; K1418-Y1571 HydrophobicContact CB-CE1 4.29Å; K1418-Y1571 HydrophobicContact CD-CD1 4.38Å; K1418-Y1571 HydrophobicContact CD-CE1 3.73Å; K1418-Y1571 PolarHBondContact NZ-OH 3.48Å; W1425-Y1571 HydrophobicContact CD2-CD1 4.09Å; W1425-Y1571 HydrophobicContact CD2-CE1 4.45Å; W1425-Y1571 AromaticContact CE3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CE3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CE3-CE1 4.5Å; W1425-Y1571 HydrophobicContact CH2-CD1 4.09Å; W1425-Y1571 HydrophobicContact CZ2-CD1 4.35Å; W1425-Y1571 AromaticContact CZ3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CZ3-CD1 3.81Å; W1425-Y1571 HydrophobicContact CZ3-CG 4.48Å; C1509-Y1571 WeakPolarHBondContact CB-O 3.25Å; C1509-Y1571 PolarHBondContact N-O 3.21Å; C1569-Y1571 HydrophobicContact CB-CD2 4.42Å; C1569-Y1571 HydrophobicContact CB-CE2 3.75Å; C1569-Y1571 WeakPolarHBondContact SG-CE2 3.19Å; Y1571-P1591 HydrophobicContact CD1-CB 4.44Å; Y1571-P1591 HydrophobicContact CD1-CG 3.72Å; Y1571-P1591 HydrophobicContact CE1-CB 3.94Å; Y1571-P1591 HydrophobicContact CE1-CG 3.54Å; Y1571-P1591 HydrophobicContact CG-CG 4.45Å; Y1571-E1592 HydrophobicContact CD2-CG 3.75Å; Y1571-E1592 HydrophobicContact CE2-CG 3.31Å; Y1571-E1592 WeakPolarHBondContact CE2-OE1 3.49Å; Y1571-E1592 PolarHBondContact OH-OE1 3.15Å |
| 1572 | C | 91.7 | Very high | 75 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.7 | -177 | -64.9 | 0 | 0 | 0 | 0 | 110.6 | K1418 Y1419 W1425 L1506 V1507 | K1418-C1572 PolarHBondContact O-N 2.96Å; Y1419-C1572 VanDerWaalsContact CA-O 3.27Å; Y1419-C1572 WeakPolarHBondContact CA-O 3.27Å; W1425-C1572 WeakPolarHBondContact CZ3-O 3.31Å; L1506-C1572 HydrophobicContact CB-CB 4.16Å; L1506-C1572 HydrophobicContact CD1-CB 4.04Å; L1506-C1572 HydrophobicContact CD2-CB 4.09Å; L1506-C1572 HydrophobicContact CG-CB 4.33Å; V1507-C1572 WeakPolarHBondContact O-CA 3.28Å |
| 1573 | F | 91.7 | Very high | 77.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 152.9 | 171.8 | -49.5 | -82.5 | 0 | 0 | 0 | 108.7 | W1425 L1506 V1507 C1509 V1588 L1589 C1590 L1596 I1601 | W1425-F1573 HydrophobicContact CH2-CD1 4.18Å; W1425-F1573 AromaticContact CH2-CE1 3.77Å; W1425-F1573 HydrophobicContact CH2-CE1 3.77Å; W1425-F1573 HydrophobicContact CH2-CZ 4.31Å; W1425-F1573 HydrophobicContact CZ2-CE1 4.2Å; L1506-F1573 WeakPolarHBondContact CA-O 3.19Å; V1507-F1573 PolarHBondContact N-O 3.3Å; V1507-F1573 PolarHBondContact O-N 2.95Å; C1509-F1573 HydrophobicContact CB-CE2 4.49Å; F1573-V1588 HydrophobicContact CD1-CB 3.8Å; F1573-V1588 HydrophobicContact CD1-CG1 4.29Å; F1573-V1588 HydrophobicContact CD1-CG2 3.91Å; F1573-V1588 HydrophobicContact CD2-CG2 4.12Å; F1573-V1588 HydrophobicContact CE1-CB 3.78Å; F1573-V1588 HydrophobicContact CE1-CG2 3.83Å; F1573-V1588 HydrophobicContact CE2-CG2 4.08Å; F1573-V1588 HydrophobicContact CG-CB 4.36Å; F1573-V1588 HydrophobicContact CG-CG2 4.05Å; F1573-V1588 HydrophobicContact CZ-CB 4.35Å; F1573-V1588 HydrophobicContact CZ-CG2 3.92Å; F1573-L1589 WeakPolarHBondContact CE1-O 3.39Å; F1573-C1590 HydrophobicContact CZ-CB 4.3Å; F1573-L1596 HydrophobicContact CE2-CD1 3.59Å; F1573-L1596 HydrophobicContact CZ-CD1 3.92Å; F1573-I1601 HydrophobicContact CD2-CD1 4.04Å; F1573-I1601 HydrophobicContact CE2-CD1 4.35Å |
| 1574 | T | 90.8 | Very high | 80.1 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 149.9 | 167.9 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | Y1419 T1504 R1505 L1506 E1576 E1577 C1578 | Y1419-T1574 HydrophobicContact CD2-CG2 4.24Å; T1504-T1574 HydrophobicContact CG2-CG2 4.39Å; R1505-T1574 CarbonylContact O-C 3.32Å; R1505-T1574 WeakPolarHBondContact O-CA 3.41Å; L1506-T1574 HydrophobicContact CD2-CG2 4.07Å; T1574-E1576 WeakPolarHBondContact CB-OE2 3.3Å; T1574-E1576 PolarHBondContact O-N 3.3Å; T1574-E1577 PolarHBondContact N-OE2 2.85Å; T1574-E1577 WeakPolarHBondContact O-CB 3.44Å; T1574-E1577 PolarHBondContact O-N 2.81Å; T1574-E1577 WeakPolarHBondContact OG1-CB 3.45Å; T1574-E1577 PolarHBondContact OG1-N 2.82Å; T1574-C1578 PolarHBondContact O-N 3.36Å; T1574-C1578 PolarHBondContact O-SG 3.04Å |
| 1575 | I | 90.9 | Very high | 82.4 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -30.8 | 174.3 | -164.9 | 63.5 | 0 | 0 | 0 | 110.3 | R1505 V1507 E1577 C1578 I1579 A1602 | R1505-I1575 HydrophobicContact CB-CB 4.3Å; R1505-I1575 HydrophobicContact CB-CG2 3.51Å; R1505-I1575 HydrophobicContact CG-CG2 4.28Å; R1505-I1575 PolarHBondContact O-N 3.4Å; V1507-I1575 HydrophobicContact CG2-CB 4.43Å; V1507-I1575 HydrophobicContact CG2-CD1 3.81Å; I1575-E1577 VanDerWaalsContact C-N 3.34Å; I1575-C1578 HydrophobicContact CD1-CB 4.28Å; I1575-C1578 PolarHBondContact O-N 2.78Å; I1575-I1579 HydrophobicContact CG1-CD1 4.3Å; I1575-I1579 WeakPolarHBondContact O-CD1 3.5Å; I1575-I1579 VanDerWaalsContact O-CG1 3.27Å; I1575-I1579 WeakPolarHBondContact O-CG1 3.26Å; I1575-I1579 PolarHBondContact O-N 3.44Å; I1575-A1602 HydrophobicContact CD1-CB 4.16Å |
| 1576 | E | 89.4 | Confident | 84.4 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 174.8 | -62 | 84 | -180 | 0 | 0 | 112.3 | F1493 R1505 T1574 L1580 V1688 C1692 | F1493-E1576 HydrophobicContact CE1-CB 4.5Å; F1493-E1576 HydrophobicContact CE1-CG 4.06Å; F1493-E1576 HydrophobicContact CZ-CG 4.06Å; R1505-E1576 IonicContact NH1-OE1 3.05Å; R1505-E1576 PolarHBondContact NH1-OE1 2.82Å; T1574-E1576 WeakPolarHBondContact CB-OE2 3.3Å; T1574-E1576 PolarHBondContact O-N 3.3Å; E1576-L1580 PolarHBondContact O-N 2.77Å; E1576-L1580 VanDerWaalsContact O-N 3.12Å; E1576-V1688 HydrophobicContact CB-CG1 3.68Å; E1576-C1692 VanDerWaalsContact CA-SG 3.5Å; E1576-C1692 WeakPolarHBondContact CB-SG 3.49Å; E1576-C1692 VanDerWaalsContact CG-SG 3.57Å |
| 1577 | E | 89.7 | Confident | 86 | Confident | 16 Ų | 16 | 28.1 Ų | 28.1 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | 170 | 172.1 | -175.6 | -172.7 | 0 | 0 | 112.1 | R1420 T1574 I1575 I1579 L1580 A1581 | R1420-E1577 IonicContact CZ-OE1 2.74Å; R1420-E1577 IonicContact NE-OE1 3.94Å; R1420-E1577 PolarHBondContact NE-OE1 3.45Å; R1420-E1577 IonicContact NH2-OE1 2.84Å; R1420-E1577 PolarHBondContact NH2-OE1 2.92Å; T1574-E1577 PolarHBondContact N-OE2 2.85Å; T1574-E1577 WeakPolarHBondContact O-CB 3.44Å; T1574-E1577 PolarHBondContact O-N 2.81Å; T1574-E1577 WeakPolarHBondContact OG1-CB 3.45Å; T1574-E1577 PolarHBondContact OG1-N 2.82Å; I1575-E1577 VanDerWaalsContact C-N 3.34Å; E1577-I1579 VanDerWaalsContact C-N 3.32Å; E1577-I1579 PolarHBondContact O-N 3.07Å; E1577-L1580 PolarHBondContact O-N 2.77Å; E1577-A1581 WeakPolarHBondContact O-CB 3.47Å; E1577-A1581 PolarHBondContact O-N 2.92Å |
| 1578 | C | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 175.4 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | T1574 I1575 A1581 A1582 L1598 A1602 | T1574-C1578 PolarHBondContact O-N 3.36Å; T1574-C1578 PolarHBondContact O-SG 3.04Å; I1575-C1578 HydrophobicContact CD1-CB 4.28Å; I1575-C1578 PolarHBondContact O-N 2.78Å; C1578-A1581 PolarHBondContact O-N 3.34Å; C1578-A1582 WeakPolarHBondContact O-CB 3.34Å; C1578-A1582 PolarHBondContact O-N 2.89Å; C1578-L1598 HydrophobicContact CB-CD2 4.2Å; C1578-A1602 HydrophobicContact CB-CB 3.89Å |
| 1579 | I | 91.4 | Very high | 88.4 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 174.9 | -69.7 | 160.4 | 0 | 0 | 0 | 111.1 | I1575 E1577 A1582 S1583 Y1695 | I1575-I1579 HydrophobicContact CG1-CD1 4.3Å; I1575-I1579 WeakPolarHBondContact O-CD1 3.5Å; I1575-I1579 VanDerWaalsContact O-CG1 3.27Å; I1575-I1579 WeakPolarHBondContact O-CG1 3.26Å; I1575-I1579 PolarHBondContact O-N 3.44Å; E1577-I1579 VanDerWaalsContact C-N 3.32Å; E1577-I1579 PolarHBondContact O-N 3.07Å; I1579-A1582 PolarHBondContact O-N 3.19Å; I1579-S1583 WeakPolarHBondContact O-CB 3.24Å; I1579-S1583 PolarHBondContact O-N 2.98Å; I1579-S1583 PolarHBondContact O-OG 2.79Å; I1579-Y1695 HydrophobicContact CD1-CD1 3.54Å; I1579-Y1695 HydrophobicContact CD1-CE1 3.89Å; I1579-Y1695 HydrophobicContact CD1-CG 4.05Å; I1579-Y1695 HydrophobicContact CG1-CD1 4.08Å; I1579-Y1695 HydrophobicContact CG1-CD2 4.5Å; I1579-Y1695 HydrophobicContact CG1-CE1 4.4Å; I1579-Y1695 HydrophobicContact CG1-CG 4.13Å; I1579-Y1695 HydrophobicContact CG2-CG 4.11Å |
| 1580 | L | 90.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 27.6 Ų | 27.6 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 174.2 | 179.6 | 60.2 | 0 | 0 | 0 | 111.1 | E1576 E1577 A1582 S1583 D1584 P1687 V1688 | E1576-L1580 PolarHBondContact O-N 2.77Å; E1576-L1580 VanDerWaalsContact O-N 3.12Å; E1577-L1580 PolarHBondContact O-N 2.77Å; L1580-A1582 VanDerWaalsContact C-N 3.34Å; L1580-A1582 PolarHBondContact O-N 2.95Å; L1580-S1583 WeakPolarHBondContact CA-OG 3.41Å; L1580-S1583 PolarHBondContact O-N 3.02Å; L1580-S1583 PolarHBondContact O-OG 2.95Å; L1580-D1584 WeakPolarHBondContact CD1-OD2 3.36Å; L1580-D1584 PolarHBondContact O-N 3.29Å; L1580-P1687 HydrophobicContact CD1-CB 3.95Å; L1580-P1687 HydrophobicContact CD2-CB 4.3Å; L1580-P1687 HydrophobicContact CD2-CG 4.28Å; L1580-V1688 HydrophobicContact CD2-CG2 3.73Å |
| 1581 | A | 89.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 31 Ų | 31 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1577 C1578 S1583 D1584 T1585 S1586 V1588 L1598 | E1577-A1581 WeakPolarHBondContact O-CB 3.47Å; E1577-A1581 PolarHBondContact O-N 2.92Å; C1578-A1581 PolarHBondContact O-N 3.34Å; A1581-S1583 VanDerWaalsContact C-N 3.35Å; A1581-S1583 PolarHBondContact O-N 2.66Å; A1581-D1584 CarbonylContact O-C 3.4Å; A1581-D1584 PolarHBondContact O-N 2.97Å; A1581-T1585 PolarHBondContact O-N 2.99Å; A1581-T1585 VanDerWaalsContact O-N 3.1Å; A1581-S1586 CarbonylContact C-O 3.32Å; A1581-S1586 WeakPolarHBondContact CB-O 3.14Å; A1581-S1586 PolarHBondContact O-N 3.15Å; A1581-V1588 HydrophobicContact CB-CG1 3.9Å; A1581-L1598 HydrophobicContact CB-CD1 4.08Å; A1581-L1598 HydrophobicContact CB-CD2 4.46Å |
| 1582 | A | 88.8 | Confident | 88.5 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1578 I1579 L1580 D1584 T1585 L1598 V1606 | C1578-A1582 WeakPolarHBondContact O-CB 3.34Å; C1578-A1582 PolarHBondContact O-N 2.89Å; I1579-A1582 PolarHBondContact O-N 3.19Å; L1580-A1582 VanDerWaalsContact C-N 3.34Å; L1580-A1582 PolarHBondContact O-N 2.95Å; A1582-D1584 VanDerWaalsContact C-N 3.31Å; A1582-D1584 PolarHBondContact O-N 3.26Å; A1582-T1585 PolarHBondContact O-N 3.11Å; A1582-L1598 HydrophobicContact CB-CD1 4.03Å; A1582-V1606 HydrophobicContact CB-CG1 3.82Å |
| 1583 | S | 86.1 | Confident | 88.3 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.9 | -25.7 | -178.9 | 72.3 | 0 | 0 | 0 | 0 | 114.5 | I1579 L1580 A1581 F1722 | I1579-S1583 WeakPolarHBondContact O-CB 3.24Å; I1579-S1583 PolarHBondContact O-N 2.98Å; I1579-S1583 PolarHBondContact O-OG 2.79Å; L1580-S1583 WeakPolarHBondContact CA-OG 3.41Å; L1580-S1583 PolarHBondContact O-N 3.02Å; L1580-S1583 PolarHBondContact O-OG 2.95Å; A1581-S1583 VanDerWaalsContact C-N 3.35Å; A1581-S1583 PolarHBondContact O-N 2.66Å; S1583-F1722 WeakPolarHBondContact O-CD2 3.41Å; S1583-F1722 WeakPolarHBondContact O-CE2 3.33Å |
| 1584 | D | 83.3 | Confident | 88.2 | Confident | 83 Ų | 83 | 38.9 Ų | 38.9 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 10 | 175.2 | -69.6 | -32.9 | 0 | 0 | 0 | 112.6 | L1580 A1581 A1582 S1586 | L1580-D1584 WeakPolarHBondContact CD1-OD2 3.36Å; L1580-D1584 PolarHBondContact O-N 3.29Å; A1581-D1584 CarbonylContact O-C 3.4Å; A1581-D1584 PolarHBondContact O-N 2.97Å; A1582-D1584 VanDerWaalsContact C-N 3.31Å; A1582-D1584 PolarHBondContact O-N 3.26Å; D1584-S1586 PolarHBondContact O-N 2.8Å; D1584-S1586 PolarHBondContact O-OG 2.74Å |
| 1585 | T | 81.3 | Confident | 88.1 | Confident | 99 Ų | 99 | 42.8 Ų | 42.8 | 61% | 0.607 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 23.4 | -173.5 | 56.6 | 0 | 0 | 0 | 0 | 115.1 | A1581 A1582 F1722 | A1581-T1585 PolarHBondContact O-N 2.99Å; A1581-T1585 VanDerWaalsContact O-N 3.1Å; A1582-T1585 PolarHBondContact O-N 3.11Å; T1585-F1722 HydrophobicContact CG2-CB 4.1Å; T1585-F1722 HydrophobicContact CG2-CD1 3.92Å; T1585-F1722 HydrophobicContact CG2-CD2 3.58Å; T1585-F1722 HydrophobicContact CG2-CE1 4.22Å; T1585-F1722 HydrophobicContact CG2-CE2 3.9Å; T1585-F1722 HydrophobicContact CG2-CG 3.58Å; T1585-F1722 HydrophobicContact CG2-CZ 4.21Å |
| 1586 | S | 84.3 | Confident | 87.9 | Confident | 64 Ų | 64 | 42.4 Ų | 42.4 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 150.9 | -177.7 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | A1581 D1584 L1598 | A1581-S1586 CarbonylContact C-O 3.32Å; A1581-S1586 WeakPolarHBondContact CB-O 3.14Å; A1581-S1586 PolarHBondContact O-N 3.15Å; D1584-S1586 PolarHBondContact O-N 2.8Å; D1584-S1586 PolarHBondContact O-OG 2.74Å; S1586-L1598 WeakPolarHBondContact O-CD1 3.47Å |
| 1587 | A | 84.6 | Confident | 87.8 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -95 | 154.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1595 | A1587-V1595 HydrophobicContact CB-CG1 3.6Š|
| 1588 | V | 88.1 | Confident | 87.7 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 156.2 | 172.5 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | F1573 A1581 L1596 L1598 I1601 | F1573-V1588 HydrophobicContact CD1-CB 3.8Å; F1573-V1588 HydrophobicContact CD1-CG1 4.29Å; F1573-V1588 HydrophobicContact CD1-CG2 3.91Å; F1573-V1588 HydrophobicContact CD2-CG2 4.12Å; F1573-V1588 HydrophobicContact CE1-CB 3.78Å; F1573-V1588 HydrophobicContact CE1-CG2 3.83Å; F1573-V1588 HydrophobicContact CE2-CG2 4.08Å; F1573-V1588 HydrophobicContact CG-CB 4.36Å; F1573-V1588 HydrophobicContact CG-CG2 4.05Å; F1573-V1588 HydrophobicContact CZ-CB 4.35Å; F1573-V1588 HydrophobicContact CZ-CG2 3.92Å; A1581-V1588 HydrophobicContact CB-CG1 3.9Å; V1588-L1596 HydrophobicContact CG2-CB 4.24Å; V1588-L1596 PolarHBondContact O-N 3.34Å; V1588-L1598 HydrophobicContact CG1-CD2 4.23Å; V1588-I1601 HydrophobicContact CG2-CD1 3.3Å |
| 1589 | L | 90.4 | Very high | 87.5 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 58% | 0.576 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 115.7 | -170.6 | -70 | 163.6 | 0 | 0 | 0 | 110.6 | F1573 G1594 V1595 | F1573-L1589 WeakPolarHBondContact CE1-O 3.39Å; L1589-G1594 WeakPolarHBondContact CA-O 3.38Å; L1589-V1595 HydrophobicContact CD2-CB 4.4Å; L1589-V1595 HydrophobicContact CD2-CG2 3.64Å |
| 1590 | C | 89.6 | Confident | 87.1 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.4 | 164.7 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | F1573 E1592 H1593 G1594 L1596 | F1573-C1590 HydrophobicContact CZ-CB 4.3Å; C1590-E1592 VanDerWaalsContact C-N 3.26Å; C1590-E1592 PolarHBondContact O-N 2.84Å; C1590-H1593 HydrophobicContact CB-CB 3.9Å; C1590-H1593 PolarHBondContact O-N 3.32Å; C1590-H1593 PolarHBondContact SG-ND1 3.12Å; C1590-G1594 PolarHBondContact N-O 3.39Å; C1590-G1594 WeakPolarHBondContact O-CA 3.45Å; C1590-G1594 PolarHBondContact O-N 3.2Å; C1590-L1596 HydrophobicContact CB-CD1 4.02Å; C1590-L1596 HydrophobicContact CB-CG 4.26Å |
| 1591 | P | 88.1 | Confident | 86.9 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.7 | 175.7 | -28.6 | 39.3 | 0 | 0 | 0 | 114.6 | W1425 Y1571 | W1425-P1591 HydrophobicContact CD2-CG 4.45Å; W1425-P1591 HydrophobicContact CZ2-CG 3.89Å; Y1571-P1591 HydrophobicContact CD1-CB 4.44Å; Y1571-P1591 HydrophobicContact CD1-CG 3.72Å; Y1571-P1591 HydrophobicContact CE1-CB 3.94Å; Y1571-P1591 HydrophobicContact CE1-CG 3.54Å; Y1571-P1591 HydrophobicContact CG-CG 4.45Å |
| 1592 | E | 86.7 | Confident | 86.9 | Confident | 115 Ų | 115 | 49.3 Ų | 49.3 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -41.8 | 176.8 | -45.9 | -71.5 | 145.2 | 0 | 0 | 111.7 | Y1571 C1590 | Y1571-E1592 HydrophobicContact CD2-CG 3.75Å; Y1571-E1592 HydrophobicContact CE2-CG 3.31Å; Y1571-E1592 WeakPolarHBondContact CE2-OE1 3.49Å; Y1571-E1592 PolarHBondContact OH-OE1 3.15Å; C1590-E1592 VanDerWaalsContact C-N 3.26Å; C1590-E1592 PolarHBondContact O-N 2.84Å |
| 1593 | H | 87.6 | Confident | 87 | Confident | 36 Ų | 36 | 48.4 Ų | 48.4 | 17% | 0.167 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 1.7 | -165 | -56.8 | 110.9 | 0 | 0 | 0 | 115.2 | Q1511 C1512 E1515 C1590 L1596 | Q1511-H1593 HydrophobicContact CB-CB 4.34Å; Q1511-H1593 PolarHBondContact OE1-CD2 2.96Å; C1512-H1593 PolarHBondContact N-CE1 2.92Å; C1512-H1593 PolarHBondContact SG-CE1 3.32Å; C1512-H1593 PolarHBondContact SG-ND1 3.5Å; E1515-H1593 IonicContact OE1-CD2 2.91Å; E1515-H1593 IonicContact OE1-CE1 3.69Å; E1515-H1593 IonicContact OE1-NE2 3.87Å; E1515-H1593 PolarHBondContact OE1-NE2 3.12Å; E1515-H1593 IonicContact OE2-CE1 3.97Å; E1515-H1593 PolarHBondContact OE2-CE1 3.46Å; E1515-H1593 IonicContact OE2-NE2 2.69Å; E1515-H1593 PolarHBondContact OE2-NE2 3.01Å; C1590-H1593 HydrophobicContact CB-CB 3.9Å; C1590-H1593 PolarHBondContact O-N 3.32Å; C1590-H1593 PolarHBondContact SG-ND1 3.12Å; H1593-L1596 HydrophobicContact CB-CD2 4.44Å |
| 1594 | G | 88.8 | Confident | 87.2 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.3 | -144.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1589 C1590 L1596 | L1589-G1594 WeakPolarHBondContact CA-O 3.38Å; C1590-G1594 PolarHBondContact N-O 3.39Å; C1590-G1594 WeakPolarHBondContact O-CA 3.45Å; C1590-G1594 PolarHBondContact O-N 3.2Å; G1594-L1596 PolarHBondContact O-N 3.13Å |
| 1595 | V | 89 | Confident | 87.5 | Confident | 100 Ų | 100 | 44.1 Ų | 44.1 | 61% | 0.606 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 121 | -175.4 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | A1587 L1589 | A1587-V1595 HydrophobicContact CB-CG1 3.6Å; L1589-V1595 HydrophobicContact CD2-CB 4.4Å; L1589-V1595 HydrophobicContact CD2-CG2 3.64Å |
| 1596 | L | 87.6 | Confident | 87.9 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.1 | 175 | -59.2 | -179.4 | 0 | 0 | 0 | 110.8 | C1509 F1573 V1588 C1590 H1593 G1594 L1598 I1601 | C1509-L1596 HydrophobicContact CB-CD1 4.11Å; F1573-L1596 HydrophobicContact CE2-CD1 3.59Å; F1573-L1596 HydrophobicContact CZ-CD1 3.92Å; V1588-L1596 HydrophobicContact CG2-CB 4.24Å; V1588-L1596 PolarHBondContact O-N 3.34Å; C1590-L1596 HydrophobicContact CB-CD1 4.02Å; C1590-L1596 HydrophobicContact CB-CG 4.26Å; H1593-L1596 HydrophobicContact CB-CD2 4.44Å; G1594-L1596 PolarHBondContact O-N 3.13Å; L1596-L1598 PolarHBondContact O-N 3.49Å; L1596-I1601 HydrophobicContact CB-CD1 4.23Å; L1596-I1601 HydrophobicContact CB-CG2 4.23Å; L1596-I1601 HydrophobicContact CD1-CD1 4.48Å; L1596-I1601 HydrophobicContact CD1-CG2 4.22Å |
| 1597 | P | 86.9 | Confident | 88.2 | Confident | 82 Ų | 82 | 38.8 Ų | 38.8 | 53% | 0.532 | 24% | 0.236 | S | C | . | . | trans | -71.3 | 126.6 | 177.4 | 27.1 | -31.6 | 0 | 0 | 0 | 110.7 | N1599 A1600 I1601 | P1597-N1599 PolarHBondContact O-N 3.08Å; P1597-A1600 HydrophobicContact CG-CB 3.95Å; P1597-A1600 WeakPolarHBondContact O-CB 3.46Å; P1597-A1600 PolarHBondContact O-N 3.37Å; P1597-I1601 PolarHBondContact O-N 3.09Å | ||
| 1598 | L | 88.2 | Confident | 88.4 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.3 | -34.8 | -178.6 | -73.7 | 174.1 | 0 | 0 | 0 | 112.9 | C1578 A1581 A1582 S1586 V1588 L1596 A1600 I1601 A1602 V1606 | C1578-L1598 HydrophobicContact CB-CD2 4.2Å; A1581-L1598 HydrophobicContact CB-CD1 4.08Å; A1581-L1598 HydrophobicContact CB-CD2 4.46Å; A1582-L1598 HydrophobicContact CB-CD1 4.03Å; S1586-L1598 WeakPolarHBondContact O-CD1 3.47Å; V1588-L1598 HydrophobicContact CG1-CD2 4.23Å; L1596-L1598 PolarHBondContact O-N 3.49Å; L1598-A1600 PolarHBondContact O-N 3.37Å; L1598-A1600 VanDerWaalsContact O-N 3.15Å; L1598-I1601 HydrophobicContact CD2-CD1 4.4Å; L1598-I1601 HydrophobicContact CD2-CG1 4.46Å; L1598-I1601 PolarHBondContact O-N 3.47Å; L1598-A1602 CarbonylContact O-C 3.11Å; L1598-A1602 VanDerWaalsContact O-CA 3.3Å; L1598-A1602 WeakPolarHBondContact O-CA 3.3Å; L1598-A1602 PolarHBondContact O-N 3.44Å; L1598-V1606 HydrophobicContact CB-CG1 3.84Å; L1598-V1606 HydrophobicContact CD1-CG1 4.21Å |
| 1599 | N | 86.2 | Confident | 88.4 | Confident | 79 Ų | 79 | 37.6 Ų | 37.6 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -15.7 | 176 | -166.3 | 15.4 | 0 | 0 | 0 | 113.8 | R1464 P1597 V1606 A1608 | R1464-N1599 PolarHBondContact NH2-O 3.08Å; P1597-N1599 PolarHBondContact O-N 3.08Å; N1599-V1606 HydrophobicContact CB-CG2 4.36Å; N1599-A1608 WeakPolarHBondContact OD1-CB 3.39Å |
| 1600 | A | 82.9 | Confident | 88.3 | Confident | 37 Ų | 37 | 32.5 Ų | 32.5 | 31% | 0.306 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -91.3 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1597 L1598 | P1597-A1600 HydrophobicContact CG-CB 3.95Å; P1597-A1600 WeakPolarHBondContact O-CB 3.46Å; P1597-A1600 PolarHBondContact O-N 3.37Å; L1598-A1600 PolarHBondContact O-N 3.37Å; L1598-A1600 VanDerWaalsContact O-N 3.15Å |
| 1601 | I | 86.3 | Confident | 88 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -95.9 | -28.2 | -174.1 | 69.1 | 169.4 | 0 | 0 | 0 | 113.5 | R1323 V1507 P1510 F1573 V1588 L1596 P1597 L1598 | R1323-I1601 PolarHBondContact NH1-O 3.37Å; R1323-I1601 PolarHBondContact NH2-O 3.34Å; V1507-I1601 HydrophobicContact CG1-CB 3.83Å; V1507-I1601 HydrophobicContact CG1-CD1 4.32Å; V1507-I1601 HydrophobicContact CG1-CG1 4.23Å; V1507-I1601 WeakPolarHBondContact CG1-O 3.49Å; P1510-I1601 HydrophobicContact CG-CG2 3.97Å; F1573-I1601 HydrophobicContact CD2-CD1 4.04Å; F1573-I1601 HydrophobicContact CE2-CD1 4.35Å; V1588-I1601 HydrophobicContact CG2-CD1 3.3Å; L1596-I1601 HydrophobicContact CB-CD1 4.23Å; L1596-I1601 HydrophobicContact CB-CG2 4.23Å; L1596-I1601 HydrophobicContact CD1-CD1 4.48Å; L1596-I1601 HydrophobicContact CD1-CG2 4.22Å; P1597-I1601 PolarHBondContact O-N 3.09Å; L1598-I1601 HydrophobicContact CD2-CD1 4.4Å; L1598-I1601 HydrophobicContact CD2-CG1 4.46Å; L1598-I1601 PolarHBondContact O-N 3.47Å |
| 1602 | A | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -145.2 | 57.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1323 I1575 C1578 L1598 D1604 S1605 | R1323-A1602 VanDerWaalsContact NH2-CA 3.3Å; I1575-A1602 HydrophobicContact CD1-CB 4.16Å; C1578-A1602 HydrophobicContact CB-CB 3.89Å; L1598-A1602 CarbonylContact O-C 3.11Å; L1598-A1602 VanDerWaalsContact O-CA 3.3Å; L1598-A1602 WeakPolarHBondContact O-CA 3.3Å; L1598-A1602 PolarHBondContact O-N 3.44Å; A1602-D1604 PolarHBondContact O-N 2.96Å; A1602-S1605 VanDerWaalsContact CB-OG 3.25Å; A1602-S1605 WeakPolarHBondContact CB-OG 3.38Å; A1602-S1605 PolarHBondContact O-N 2.88Å; A1602-S1605 PolarHBondContact O-OG 3.18Å | ||
| 1603 | P | 91.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -58.4 | -29.4 | 179.7 | 26.1 | -35.1 | 0 | 0 | 0 | 113.1 | I1321 T1468 V1606 F1607 A1608 | I1321-P1603 HydrophobicContact CD1-CG 4Å; T1468-P1603 HydrophobicContact CG2-CB 3.65Å; T1468-P1603 HydrophobicContact CG2-CG 3.93Å; P1603-V1606 WeakPolarHBondContact O-CG2 3.38Å; P1603-V1606 PolarHBondContact O-N 3.01Å; P1603-F1607 PolarHBondContact O-N 3.38Å; P1603-A1608 HydrophobicContact CB-CB 3.89Å; P1603-A1608 WeakPolarHBondContact O-CB 3.33Å; P1603-A1608 PolarHBondContact O-N 2.62Å |
| 1604 | D | 90.4 | Very high | 87.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.1 | -38.7 | 173.9 | 59.3 | -52 | 0 | 0 | 0 | 112.8 | R1323 T1468 L1471 A1602 V1606 F1607 Y1695 R1699 | R1323-D1604 IonicContact CZ-OD1 2.73Å; R1323-D1604 IonicContact NE-OD1 2.71Å; R1323-D1604 IonicContact NH2-OD1 2.92Å; R1323-D1604 PolarHBondContact NH2-OD1 3.4Å; R1323-D1604 IonicContact NH2-OD2 3.23Å; T1468-D1604 HydrophobicContact CG2-CB 4.48Å; L1471-D1604 HydrophobicContact CD2-CB 3.89Å; L1471-D1604 HydrophobicContact CG-CB 4.27Å; A1602-D1604 PolarHBondContact O-N 2.96Å; D1604-V1606 VanDerWaalsContact C-N 3.25Å; D1604-V1606 PolarHBondContact O-N 3.14Å; D1604-F1607 PolarHBondContact O-N 2.67Å; D1604-Y1695 PolarHBondContact O-OH 2.91Å; D1604-R1699 PolarHBondContact O-NH2 2.9Å |
| 1605 | S | 89.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -71.4 | -17.2 | 179 | 71.7 | 0 | 0 | 0 | 0 | 114.1 | A1602 | A1602-S1605 VanDerWaalsContact CB-OG 3.25Å; A1602-S1605 WeakPolarHBondContact CB-OG 3.38Å; A1602-S1605 PolarHBondContact O-N 2.88Å; A1602-S1605 PolarHBondContact O-OG 3.18Å |
| 1606 | V | 89.4 | Confident | 87.1 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 26% | 0.261 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -111.3 | 15.2 | 178.1 | -63 | 0 | 0 | 0 | 0 | 113 | A1582 L1598 N1599 P1603 D1604 A1608 | A1582-V1606 HydrophobicContact CB-CG1 3.82Å; L1598-V1606 HydrophobicContact CB-CG1 3.84Å; L1598-V1606 HydrophobicContact CD1-CG1 4.21Å; N1599-V1606 HydrophobicContact CB-CG2 4.36Å; P1603-V1606 WeakPolarHBondContact O-CG2 3.38Å; P1603-V1606 PolarHBondContact O-N 3.01Å; D1604-V1606 VanDerWaalsContact C-N 3.25Å; D1604-V1606 PolarHBondContact O-N 3.14Å; V1606-A1608 VanDerWaalsContact C-N 3.29Å; V1606-A1608 HydrophobicContact CG2-CB 4.35Å; V1606-A1608 PolarHBondContact O-N 3.19Å |
| 1607 | F | 90.6 | Very high | 86.9 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 29.7 | 177.5 | -56.1 | -84.1 | 0 | 0 | 0 | 115.2 | P1603 D1604 D1609 L1610 L1615 Y1695 A1698 R1699 L1702 L1724 | P1603-F1607 PolarHBondContact O-N 3.38Å; D1604-F1607 PolarHBondContact O-N 2.67Å; F1607-D1609 PolarHBondContact O-N 3.14Å; F1607-D1609 VanDerWaalsContact O-N 3.14Å; F1607-L1610 HydrophobicContact CB-CD1 3.93Å; F1607-L1610 HydrophobicContact CB-CG 4.12Å; F1607-L1610 HydrophobicContact CD1-CD1 4.23Å; F1607-L1610 HydrophobicContact CG-CD1 4.41Å; F1607-L1610 WeakPolarHBondContact O-CB 3.43Å; F1607-L1610 PolarHBondContact O-N 2.99Å; F1607-L1615 HydrophobicContact CB-CD2 4.18Å; F1607-Y1695 HydrophobicContact CE1-CD2 4.25Å; F1607-Y1695 HydrophobicContact CE1-CE2 4.04Å; F1607-Y1695 HydrophobicContact CE2-CD2 4.19Å; F1607-Y1695 HydrophobicContact CE2-CE2 4.4Å; F1607-Y1695 AromaticContact CZ-CD2 3.68Å; F1607-Y1695 HydrophobicContact CZ-CD2 3.68Å; F1607-Y1695 AromaticContact CZ-CE2 3.88Å; F1607-Y1695 HydrophobicContact CZ-CE2 3.88Å; F1607-A1698 HydrophobicContact CE1-CB 4.48Å; F1607-A1698 HydrophobicContact CZ-CB 4.18Å; F1607-R1699 HydrophobicContact CE1-CG 4.44Å; F1607-L1702 HydrophobicContact CD1-CD1 4.19Å; F1607-L1702 HydrophobicContact CE1-CD1 3.88Å; F1607-L1724 HydrophobicContact CE2-CD1 3.74Å; F1607-L1724 HydrophobicContact CZ-CD1 3.89Å |
| 1608 | A | 87.5 | Confident | 86.8 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -4.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1468 N1599 P1603 V1606 | T1468-A1608 HydrophobicContact CG2-CB 4.48Å; N1599-A1608 WeakPolarHBondContact OD1-CB 3.39Å; P1603-A1608 HydrophobicContact CB-CB 3.89Å; P1603-A1608 WeakPolarHBondContact O-CB 3.33Å; P1603-A1608 PolarHBondContact O-N 2.62Å; V1606-A1608 VanDerWaalsContact C-N 3.29Å; V1606-A1608 HydrophobicContact CG2-CB 4.35Å; V1606-A1608 PolarHBondContact O-N 3.19Å |
| 1609 | D | 88.6 | Confident | 86.6 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.1 | 167.2 | 53.3 | -64.2 | 0 | 0 | 0 | 114 | T1468 R1469 F1607 R1699 | T1468-D1609 HydrophobicContact CG2-CB 3.78Å; R1469-D1609 HydrophobicContact CB-CB 4.42Å; R1469-D1609 HydrophobicContact CG-CB 3.67Å; R1469-D1609 PolarHBondContact NE-O 2.82Å; R1469-D1609 PolarHBondContact NH2-O 3.36Å; F1607-D1609 PolarHBondContact O-N 3.14Å; F1607-D1609 VanDerWaalsContact O-N 3.14Å; D1609-R1699 IonicContact OD1-CZ 3.53Å; D1609-R1699 IonicContact OD1-NH1 3.55Å; D1609-R1699 IonicContact OD1-NH2 3.44Å; D1609-R1699 PolarHBondContact OD1-NH2 2.8Å; D1609-R1699 IonicContact OD2-CZ 2.79Å; D1609-R1699 IonicContact OD2-NH1 3.27Å; D1609-R1699 PolarHBondContact OD2-NH1 2.89Å; D1609-R1699 IonicContact OD2-NH2 2.77Å; D1609-R1699 PolarHBondContact OD2-NH2 3.09Å |
| 1610 | L | 88.1 | Confident | 86.5 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -77.3 | 155.5 | 176.3 | -58.4 | -171.9 | 0 | 0 | 0 | 111.7 | R1465 F1607 Q1614 L1615 L1702 L1706 V1719 | R1465-L1610 PolarHBondContact NE-O 3.2Å; R1465-L1610 PolarHBondContact NH2-O 3.39Å; F1607-L1610 HydrophobicContact CB-CD1 3.93Å; F1607-L1610 HydrophobicContact CB-CG 4.12Å; F1607-L1610 HydrophobicContact CD1-CD1 4.23Å; F1607-L1610 HydrophobicContact CG-CD1 4.41Å; F1607-L1610 WeakPolarHBondContact O-CB 3.43Å; F1607-L1610 PolarHBondContact O-N 2.99Å; L1610-Q1614 HydrophobicContact CB-CB 4.33Å; L1610-L1615 HydrophobicContact CB-CD1 4.42Å; L1610-L1615 HydrophobicContact CB-CD2 4.22Å; L1610-L1615 HydrophobicContact CB-CG 4.1Å; L1610-L1615 HydrophobicContact CD1-CD2 3.98Å; L1610-L1702 HydrophobicContact CD1-CD1 4.48Å; L1610-L1706 HydrophobicContact CD2-CD1 3.63Å; L1610-V1719 HydrophobicContact CD1-CB 4.32Å; L1610-V1719 HydrophobicContact CD1-CG2 3.77Å |
| 1611 | D | 83.8 | Confident | 86.6 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | trans | -80.6 | 153.9 | 174 | -60.8 | -58.1 | 0 | 0 | 0 | 111.4 | R1469 N1613 Q1614 L1615 | R1469-D1611 IonicContact CZ-OD1 3.83Å; R1469-D1611 IonicContact NH1-OD1 3.4Å; R1469-D1611 IonicContact NH2-OD1 2.68Å; R1469-D1611 PolarHBondContact NH2-OD1 3.28Å; R1469-D1611 IonicContact NH2-OD2 2.83Å; R1469-D1611 PolarHBondContact NH2-OD2 3.12Å; R1469-D1611 VanDerWaalsContact NH2-OD2 3.07Å; D1611-N1613 VanDerWaalsContact CB-OD1 3.23Å; D1611-N1613 WeakPolarHBondContact CB-OD1 3.41Å; D1611-N1613 PolarHBondContact O-N 2.81Å; D1611-Q1614 HydrophobicContact CB-CG 4.42Å; D1611-Q1614 WeakPolarHBondContact O-CB 3.47Å; D1611-Q1614 PolarHBondContact O-N 3.36Å; D1611-Q1614 PolarHBondContact OD2-NE2 2.95Å; D1611-L1615 PolarHBondContact O-N 2.96Å | ||
| 1612 | D | 80 | Confident | 86.6 | Confident | 113 Ų | 113 | 44.4 Ų | 44.4 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.5 | -172.9 | -51 | -68.5 | 0 | 0 | 0 | 114 | R1465 | R1465-D1612 IonicContact CZ-OD1 2.72Å; R1465-D1612 IonicContact CZ-OD2 2.7Å; R1465-D1612 IonicContact NH1-OD2 3.69Å; R1465-D1612 PolarHBondContact NH1-OD2 2.82Å; R1465-D1612 IonicContact NH2-OD1 3.04Å; R1465-D1612 PolarHBondContact NH2-OD1 3.37Å; R1465-D1612 IonicContact NH2-OD2 3.44Å; R1465-D1612 PolarHBondContact NH2-OD2 3.46Å |
| 1613 | N | 80.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -10.5 | 170.4 | 65.4 | -22.3 | 0 | 0 | 0 | 114 | D1611 | D1611-N1613 VanDerWaalsContact CB-OD1 3.23Å; D1611-N1613 WeakPolarHBondContact CB-OD1 3.41Å; D1611-N1613 PolarHBondContact O-N 2.81Å |
| 1614 | Q | 85.6 | Confident | 86 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -15.3 | 174.4 | -63.7 | 154.8 | 12.3 | 0 | 0 | 111.5 | L1610 D1611 L1706 G1718 V1719 | L1610-Q1614 HydrophobicContact CB-CB 4.33Å; D1611-Q1614 HydrophobicContact CB-CG 4.42Å; D1611-Q1614 WeakPolarHBondContact O-CB 3.47Å; D1611-Q1614 PolarHBondContact O-N 3.36Å; D1611-Q1614 PolarHBondContact OD2-NE2 2.95Å; Q1614-L1706 HydrophobicContact CG-CD2 4.05Å; Q1614-G1718 CarbonylContact O-C 3.41Å; Q1614-G1718 WeakPolarHBondContact O-CA 3.38Å; Q1614-V1719 PolarHBondContact O-N 2.75Å |
| 1615 | L | 87.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -97.1 | 121.3 | 179.6 | -68.5 | 171.6 | 0 | 0 | 0 | 110.9 | F1607 L1610 D1611 P1721 | F1607-L1615 HydrophobicContact CB-CD2 4.18Å; L1610-L1615 HydrophobicContact CB-CD1 4.42Å; L1610-L1615 HydrophobicContact CB-CD2 4.22Å; L1610-L1615 HydrophobicContact CB-CG 4.1Å; L1610-L1615 HydrophobicContact CD1-CD2 3.98Å; D1611-L1615 PolarHBondContact O-N 2.96Å; L1615-P1721 HydrophobicContact CD2-CG 4.1Å |
| 1616 | I | 87.3 | Confident | 85.4 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 117 | -179.7 | -57.3 | 175 | 0 | 0 | 0 | 109.2 | V1621 V1640 I1717 V1719 C1720 A1727 | I1616-V1621 HydrophobicContact CG2-CG2 3.41Å; I1616-V1621 VanDerWaalsContact CG2-CG2 3.41Å; I1616-V1640 HydrophobicContact CD1-CG1 4.43Å; I1616-V1640 HydrophobicContact CG2-CG1 3.78Å; I1616-I1717 HydrophobicContact CD1-CG2 4.39Å; I1616-V1719 PolarHBondContact N-O 2.92Å; I1616-C1720 HydrophobicContact CB-CB 4.34Å; I1616-C1720 PolarHBondContact O-SG 3.39Å; I1616-C1720 VanDerWaalsContact O-SG 3.33Å; I1616-A1727 HydrophobicContact CD1-CB 3.51Å |
| 1617 | V | 85.3 | Confident | 85 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 127.9 | 178.6 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | T1619 S1620 | V1617-T1619 WeakPolarHBondContact CG1-OG1 3.26Å; V1617-T1619 PolarHBondContact O-N 3.03Å; V1617-S1620 PolarHBondContact O-N 3.18Å; V1617-S1620 PolarHBondContact O-OG 2.9Å |
| 1618 | P | 83.2 | Confident | 84.2 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -54 | -30.3 | -175.7 | -30.5 | 36.2 | 0 | 0 | 0 | 115.4 | S1620 F1722 | P1618-S1620 VanDerWaalsContact C-N 3.31Å; P1618-S1620 PolarHBondContact O-N 3.43Å; P1618-F1722 VanDerWaalsContact CB-O 3.31Å; P1618-F1722 WeakPolarHBondContact CB-O 3.28Å; P1618-F1722 HydrophobicContact CG-CB 4.3Å; P1618-F1722 WeakPolarHBondContact CG-O 3.01Å |
| 1619 | T | 83.9 | Confident | 83.5 | Confident | 132 Ų | 132 | 70.3 Ų | 70.3 | 81% | 0.81 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -73.6 | -15.6 | 179.9 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | V1617 | V1617-T1619 WeakPolarHBondContact CG1-OG1 3.26Å; V1617-T1619 PolarHBondContact O-N 3.03Å |
| 1620 | S | 83.9 | Confident | 82.4 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -93 | -4 | 179.2 | 84.3 | 0 | 0 | 0 | 0 | 114.2 | V1617 P1618 H1641 | V1617-S1620 PolarHBondContact O-N 3.18Å; V1617-S1620 PolarHBondContact O-OG 2.9Å; P1618-S1620 VanDerWaalsContact C-N 3.31Å; P1618-S1620 PolarHBondContact O-N 3.43Å; S1620-H1641 WeakPolarHBondContact CB-O 3.25Å; S1620-H1641 PolarHBondContact O-N 3.1Å; S1620-H1641 VanDerWaalsContact O-N 3.12Å; S1620-H1641 PolarHBondContact O-ND1 2.18Å; S1620-H1641 PolarHBondContact OG-O 3.41Å |
| 1621 | V | 85.5 | Confident | 81.2 | Confident | 29 Ų | 29 | 76.2 Ų | 76.2 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 107.7 | -177.9 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | I1616 A1638 V1640 L1656 | I1616-V1621 HydrophobicContact CG2-CG2 3.41Å; I1616-V1621 VanDerWaalsContact CG2-CG2 3.41Å; V1621-A1638 HydrophobicContact CG1-CB 4.08Å; V1621-V1640 HydrophobicContact CG1-CG2 4.38Å; V1621-V1640 HydrophobicContact CG2-CG2 4.3Å; V1621-L1656 HydrophobicContact CG1-CD1 4.5Å; V1621-L1656 HydrophobicContact CG1-CD2 3.93Å |
| 1622 | K | 87.3 | Confident | 80.5 | Confident | 154 Ų | 154 | 75.9 Ų | 75.9 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 97 | 173.6 | -167.9 | 175.7 | -177.1 | 179.7 | 0 | 110.1 | A1638 V1639 | K1622-A1638 CarbonylContact O-C 3.59Å; K1622-A1638 VanDerWaalsContact O-CA 3.29Å; K1622-A1638 WeakPolarHBondContact O-CA 3.49Å; K1622-A1638 WeakPolarHBondContact O-CB 3.32Å; K1622-V1639 PolarHBondContact N-O 3.26Å; K1622-V1639 PolarHBondContact O-N 3.26Å |
| 1623 | R | 85.8 | Confident | 80.2 | Confident | 110 Ų | 110 | 71.7 Ų | 71.7 | 42% | 0.415 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.3 | 178.2 | -165.4 | 172.7 | 94.3 | -119.2 | 9.4 | 111.5 | F1636 V1662 D1663 | R1623-F1636 HydrophobicContact CG-CB 3.85Å; R1623-F1636 HydrophobicContact CG-CD1 4.01Å; R1623-F1636 HydrophobicContact CG-CG 3.95Å; R1623-V1662 VanDerWaalsContact CZ-CG1 3.5Å; R1623-D1663 PolarHBondContact NH2-O 3.13Å |
| 1624 | G | 83.5 | Confident | 80.4 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -141.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1637 | G1624-K1637 CarbonylContact C-O 3.6Å; G1624-K1637 VanDerWaalsContact CA-O 3.27Å; G1624-K1637 WeakPolarHBondContact CA-O 3.34Å; G1624-K1637 PolarHBondContact N-O 3.2Å |
| 1625 | K | 82.7 | Confident | 80.5 | Confident | 173 Ų | 173 | 66.8 Ų | 66.8 | 75% | 0.752 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 142.8 | -172.7 | -170 | -179.4 | 176.7 | -179.7 | 0 | 112.7 | L1627 F1636 K1637 | K1625-L1627 PolarHBondContact O-N 2.67Å; K1625-F1636 WeakPolarHBondContact O-CA 3.4Å; K1625-K1637 PolarHBondContact O-N 3.34Å |
| 1626 | L | 83.9 | Confident | 80.5 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 126.4 | 167.5 | -175.8 | 74.1 | 0 | 0 | 0 | 110.4 | F1634 V1635 F1636 P1664 A1672 | L1626-F1634 HydrophobicContact CD1-CB 3.87Å; L1626-F1634 HydrophobicContact CD1-CD1 3.85Å; L1626-F1634 HydrophobicContact CD1-CG 4.18Å; L1626-F1634 HydrophobicContact CD2-CD1 4.45Å; L1626-V1635 WeakPolarHBondContact CD1-O 3.35Å; L1626-F1636 HydrophobicContact CB-CD1 4.13Å; L1626-F1636 HydrophobicContact CB-CE1 4.09Å; L1626-F1636 HydrophobicContact CD1-CD1 4.1Å; L1626-F1636 HydrophobicContact CD1-CD2 4.25Å; L1626-F1636 HydrophobicContact CD1-CE1 3.84Å; L1626-F1636 HydrophobicContact CD1-CE2 4Å; L1626-F1636 HydrophobicContact CD1-CG 4.3Å; L1626-F1636 HydrophobicContact CD1-CZ 3.81Å; L1626-P1664 HydrophobicContact CD2-CB 4.05Å; L1626-A1672 HydrophobicContact CD2-CB 4.21Å |
| 1627 | L | 80.1 | Confident | 80.6 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -42.7 | 177.5 | -67.6 | 171.4 | 0 | 0 | 0 | 112 | K1625 V1635 K1637 A1655 L1730 | K1625-L1627 PolarHBondContact O-N 2.67Å; L1627-V1635 HydrophobicContact CB-CG1 4.49Å; L1627-V1635 HydrophobicContact CD1-CG1 4.36Å; L1627-V1635 PolarHBondContact N-O 2.95Å; L1627-K1637 HydrophobicContact CD1-CB 3.97Å; L1627-K1637 HydrophobicContact CD2-CB 4.15Å; L1627-K1637 HydrophobicContact CG-CB 4.02Å; L1627-A1655 HydrophobicContact CD1-CB 4.43Å; L1627-L1730 HydrophobicContact CD1-CD1 3.53Å |
| 1628 | G | 75.2 | Confident | 80.8 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | -177.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1635 | G1628-V1635 PolarHBondContact N-O 3.46Å; G1628-V1635 PolarHBondContact O-N 2.84Å |
| 1629 | R | 72.3 | Confident | 81.2 | Confident | 135 Ų | 135 | 62.7 Ų | 62.7 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.7 | -178.7 | 71.2 | -168.2 | -166.3 | -176 | 1 | 109.9 | G1633 F1634 S1671 M1675 | R1629-G1633 WeakPolarHBondContact CA-O 3.43Å; R1629-F1634 HydrophobicContact CB-CD1 4.17Å; R1629-F1634 HydrophobicContact CB-CE1 4.49Å; R1629-S1671 PolarHBondContact NH1-OG 3.08Å; R1629-M1675 HydrophobicContact CG-CE 4.45Å |
| 1630 | G | 66.5 | Low | 81.2 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | -176 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1632 G1633 | G1630-F1632 PolarHBondContact O-N 2.9Å; G1630-F1632 VanDerWaalsContact O-N 3.15Å; G1630-G1633 PolarHBondContact N-O 2.82Å; G1630-G1633 PolarHBondContact O-N 2.73Å; G1630-G1633 VanDerWaalsContact O-N 3.08Å |
| 1631 | A | 62.8 | Low | 81.2 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 89% | 0.893 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1632 | F | 68 | Low | 80.5 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 20% | 0.197 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -17.9 | 176.7 | 55.4 | -100.2 | 0 | 0 | 0 | 114.2 | G1630 V1635 K1657 L1659 D1805 | G1630-F1632 PolarHBondContact O-N 2.9Å; G1630-F1632 VanDerWaalsContact O-N 3.15Å; F1632-V1635 HydrophobicContact CE2-CG2 3.59Å; F1632-V1635 HydrophobicContact CZ-CG2 3.68Å; F1632-K1657 HydrophobicContact CD2-CD 4.19Å; F1632-K1657 VanDerWaalsContact CD2-CE 3.49Å; F1632-K1657 HydrophobicContact CD2-CG 3.66Å; F1632-K1657 HydrophobicContact CE2-CD 4.26Å; F1632-K1657 HydrophobicContact CE2-CG 3.59Å; F1632-K1657 HydrophobicContact CG-CD 4.45Å; F1632-K1657 HydrophobicContact CG-CG 4.4Å; F1632-K1657 HydrophobicContact CZ-CG 4.25Å; F1632-L1659 HydrophobicContact CB-CD2 4Å; F1632-D1805 WeakPolarHBondContact CE1-OD2 3.49Å |
| 1633 | G | 73.5 | Confident | 79.3 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.4 | -132.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1629 G1630 | R1629-G1633 WeakPolarHBondContact CA-O 3.43Å; G1630-G1633 PolarHBondContact N-O 2.82Å; G1630-G1633 PolarHBondContact O-N 2.73Å; G1630-G1633 VanDerWaalsContact O-N 3.08Å |
| 1634 | F | 84.3 | Confident | 77.6 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.4 | -173.6 | -66.8 | -70.6 | 0 | 0 | 0 | 111.6 | L1626 R1629 F1636 M1658 A1672 M1675 F1676 | L1626-F1634 HydrophobicContact CD1-CB 3.87Å; L1626-F1634 HydrophobicContact CD1-CD1 3.85Å; L1626-F1634 HydrophobicContact CD1-CG 4.18Å; L1626-F1634 HydrophobicContact CD2-CD1 4.45Å; R1629-F1634 HydrophobicContact CB-CD1 4.17Å; R1629-F1634 HydrophobicContact CB-CE1 4.49Å; F1634-F1636 HydrophobicContact CB-CD2 4.34Å; F1634-F1636 HydrophobicContact CB-CE2 3.7Å; F1634-F1636 HydrophobicContact CB-CZ 4.4Å; F1634-M1658 WeakPolarHBondContact O-CB 3.48Å; F1634-M1658 PolarHBondContact O-N 3.13Å; F1634-A1672 HydrophobicContact CE1-CB 4.41Å; F1634-M1675 HydrophobicContact CZ-CB 4.39Å; F1634-F1676 HydrophobicContact CE2-CB 4.05Å; F1634-F1676 HydrophobicContact CZ-CB 3.96Å |
| 1635 | V | 87.3 | Confident | 75.7 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.9 | 172.1 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | L1626 L1627 G1628 F1632 A1655 L1656 | L1626-V1635 WeakPolarHBondContact CD1-O 3.35Å; L1627-V1635 HydrophobicContact CB-CG1 4.49Å; L1627-V1635 HydrophobicContact CD1-CG1 4.36Å; L1627-V1635 PolarHBondContact N-O 2.95Å; G1628-V1635 PolarHBondContact N-O 3.46Å; G1628-V1635 PolarHBondContact O-N 2.84Å; F1632-V1635 HydrophobicContact CE2-CG2 3.59Å; F1632-V1635 HydrophobicContact CZ-CG2 3.68Å; V1635-A1655 HydrophobicContact CG1-CB 4.1Å; V1635-L1656 WeakPolarHBondContact CA-O 3.2Å |
| 1636 | F | 88.6 | Confident | 73.5 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 150.9 | 176.9 | -64.4 | -100.8 | 0 | 0 | 0 | 111 | R1623 K1625 L1626 F1634 L1656 M1658 V1662 | R1623-F1636 HydrophobicContact CG-CB 3.85Å; R1623-F1636 HydrophobicContact CG-CD1 4.01Å; R1623-F1636 HydrophobicContact CG-CG 3.95Å; K1625-F1636 WeakPolarHBondContact O-CA 3.4Å; L1626-F1636 HydrophobicContact CB-CD1 4.13Å; L1626-F1636 HydrophobicContact CB-CE1 4.09Å; L1626-F1636 HydrophobicContact CD1-CD1 4.1Å; L1626-F1636 HydrophobicContact CD1-CD2 4.25Å; L1626-F1636 HydrophobicContact CD1-CE1 3.84Å; L1626-F1636 HydrophobicContact CD1-CE2 4Å; L1626-F1636 HydrophobicContact CD1-CG 4.3Å; L1626-F1636 HydrophobicContact CD1-CZ 3.81Å; F1634-F1636 HydrophobicContact CB-CD2 4.34Å; F1634-F1636 HydrophobicContact CB-CE2 3.7Å; F1634-F1636 HydrophobicContact CB-CZ 4.4Å; F1636-L1656 PolarHBondContact N-O 2.81Å; F1636-L1656 PolarHBondContact O-N 3.46Å; F1636-M1658 HydrophobicContact CD2-CG 3.52Å; F1636-M1658 HydrophobicContact CD2-SD 4.28Å; F1636-M1658 HydrophobicContact CE2-CG 3.61Å; F1636-V1662 HydrophobicContact CE2-CG1 4.47Å; F1636-V1662 HydrophobicContact CZ-CG1 4.41Å |
| 1637 | K | 89.6 | Confident | 71.2 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 27% | 0.274 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 137.3 | 159.5 | 178.1 | 164.8 | 178 | 165.8 | 0 | 108 | G1624 K1625 L1627 E1653 V1654 L1730 | G1624-K1637 CarbonylContact C-O 3.6Å; G1624-K1637 VanDerWaalsContact CA-O 3.27Å; G1624-K1637 WeakPolarHBondContact CA-O 3.34Å; G1624-K1637 PolarHBondContact N-O 3.2Å; K1625-K1637 PolarHBondContact O-N 3.34Å; L1627-K1637 HydrophobicContact CD1-CB 3.97Å; L1627-K1637 HydrophobicContact CD2-CB 4.15Å; L1627-K1637 HydrophobicContact CG-CB 4.02Å; K1637-E1653 WeakPolarHBondContact CE-OE1 3.39Å; K1637-E1653 WeakPolarHBondContact CE-OE2 3.44Å; K1637-E1653 IonicContact NZ-OE1 3.89Å; K1637-E1653 PolarHBondContact NZ-OE1 3.32Å; K1637-E1653 IonicContact NZ-OE2 3.91Å; K1637-E1653 PolarHBondContact NZ-OE2 3.03Å; K1637-V1654 WeakPolarHBondContact CA-O 3.48Å; K1637-L1730 HydrophobicContact CD-CD2 3.71Å; K1637-L1730 HydrophobicContact CG-CD2 3.96Å |
| 1638 | A | 89.8 | Confident | 69.4 | Low | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 165.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1621 K1622 V1654 L1656 | V1621-A1638 HydrophobicContact CG1-CB 4.08Å; K1622-A1638 CarbonylContact O-C 3.59Å; K1622-A1638 VanDerWaalsContact O-CA 3.29Å; K1622-A1638 WeakPolarHBondContact O-CA 3.49Å; K1622-A1638 WeakPolarHBondContact O-CB 3.32Å; A1638-V1654 HydrophobicContact CB-CG2 3.81Å; A1638-V1654 PolarHBondContact N-O 2.9Å; A1638-V1654 PolarHBondContact O-N 3.36Å; A1638-L1656 HydrophobicContact CB-CB 4.21Å; A1638-L1656 HydrophobicContact CB-CD2 4.39Å |
| 1639 | V | 89.9 | Confident | 68.1 | Low | 37 Ų | 37 | 74 Ų | 74 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.1 | 167.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | K1622 H1652 | K1622-V1639 PolarHBondContact N-O 3.26Å; K1622-V1639 PolarHBondContact O-N 3.26Å; V1639-H1652 WeakPolarHBondContact CA-O 3.35Å |
| 1640 | V | 85.5 | Confident | 67.6 | Low | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.6 | 178 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | I1616 V1621 L1642 H1652 V1654 | I1616-V1640 HydrophobicContact CD1-CG1 4.43Å; I1616-V1640 HydrophobicContact CG2-CG1 3.78Å; V1621-V1640 HydrophobicContact CG1-CG2 4.38Å; V1621-V1640 HydrophobicContact CG2-CG2 4.3Å; V1640-L1642 HydrophobicContact CG1-CD2 3.74Å; V1640-L1642 HydrophobicContact CG1-CG 4.26Å; V1640-H1652 PolarHBondContact N-O 3.21Å; V1640-H1652 PolarHBondContact O-N 3.45Å; V1640-V1654 HydrophobicContact CB-CG1 4.1Å; V1640-V1654 HydrophobicContact CG2-CB 4.34Å; V1640-V1654 HydrophobicContact CG2-CG1 3.7Å; V1640-V1654 HydrophobicContact CG2-CG2 3.63Å |
| 1641 | H | 83.1 | Confident | 67.9 | Low | 93 Ų | 93 | 75.3 Ų | 75.3 | 43% | 0.431 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 109.2 | 172.3 | -49.3 | 73.6 | 0 | 0 | 0 | 107.1 | S1620 | S1620-H1641 WeakPolarHBondContact CB-O 3.25Å; S1620-H1641 PolarHBondContact O-N 3.1Å; S1620-H1641 VanDerWaalsContact O-N 3.12Å; S1620-H1641 PolarHBondContact O-ND1 2.18Å; S1620-H1641 PolarHBondContact OG-O 3.41Å |
| 1642 | L | 70.9 | Confident | 68.7 | Low | 70 Ų | 70 | 73.5 Ų | 73.5 | 37% | 0.366 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 150.6 | 176 | -61.8 | 177.7 | 0 | 0 | 0 | 109.4 | V1640 I1717 | V1640-L1642 HydrophobicContact CG1-CD2 3.74Å; V1640-L1642 HydrophobicContact CG1-CG 4.26Å; L1642-I1717 HydrophobicContact CD1-CG2 4.39Å |
| 1643 | Q | 61.2 | Low | 69.6 | Low | 168 Ų | 168 | 76.1 Ų | 76.1 | 79% | 0.785 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 133.5 | 174.8 | -72 | -174.2 | -15 | 0 | 0 | 109.7 | K1645 | Q1643-K1645 PolarHBondContact O-N 3.29Š|
| 1644 | P | 51.8 | Low | 70.4 | Confident | 92 Ų | 92 | 75 Ų | 75 | 60% | 0.597 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 121.1 | -171.9 | 27.6 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 1645 | K | 43.4 | Very low | 70.8 | Confident | 174 Ų | 174 | 75.1 Ų | 75.1 | 76% | 0.757 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -98.2 | 78.1 | 164.5 | -83.2 | -170.3 | 171.2 | -177 | 0 | 109.4 | Q1643 | Q1643-K1645 PolarHBondContact O-N 3.29Š|
| 1646 | L | 36.5 | Very low | 70.9 | Confident | 158 Ų | 158 | 74 Ų | 74 | 83% | 0.827 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 65.4 | 121.3 | -172.4 | -58.8 | 105.6 | 0 | 0 | 0 | 114 | ||
| 1647 | D | 34.6 | Very low | 71 | Confident | 130 Ų | 130 | 74.3 Ų | 74.3 | 70% | 0.695 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 51.5 | 127.8 | 169.2 | -57.6 | -22.1 | 0 | 0 | 0 | 119.8 | ||
| 1648 | L | 42.8 | Very low | 71.1 | Confident | 102 Ų | 102 | 71.4 Ų | 71.4 | 53% | 0.534 | 37% | 0.373 | S | S | . | . | trans | 71.2 | 122.8 | -179.6 | -56 | 170.5 | 0 | 0 | 0 | 115.7 | V138 E1650 | V138-L1648 HydrophobicContact CG2-CD2 4.45Å; L1648-E1650 PolarHBondContact O-N 3.23Å | ||
| 1649 | S | 48.6 | Very low | 71 | Confident | 76 Ų | 76 | 72 Ų | 72 | 53% | 0.531 | 38% | 0.376 | S | S | . | . | trans | -93.9 | 72.8 | 176.6 | 59.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1650 | E | 60.4 | Low | 70.9 | Confident | 126 Ų | 126 | 71.3 Ų | 71.3 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | trans | -67.5 | 135.2 | 176.5 | -66.6 | -161 | 156.8 | 0 | 0 | 112 | L1648 H1652 | L1648-E1650 PolarHBondContact O-N 3.23Å; E1650-H1652 IonicContact OE2-CE1 2.74Å; E1650-H1652 PolarHBondContact OE2-CE1 3.41Å; E1650-H1652 VanDerWaalsContact OE2-CE1 3.28Å; E1650-H1652 IonicContact OE2-ND1 2.75Å | ||
| 1651 | S | 72.7 | Confident | 70.9 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.2 | 172.2 | 64.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1652 | H | 79.3 | Confident | 71.1 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139.6 | -174.9 | -55.1 | -60.7 | 0 | 0 | 0 | 112 | V1639 V1640 E1650 V1654 | V1639-H1652 WeakPolarHBondContact CA-O 3.35Å; V1640-H1652 PolarHBondContact N-O 3.21Å; V1640-H1652 PolarHBondContact O-N 3.45Å; E1650-H1652 IonicContact OE2-CE1 2.74Å; E1650-H1652 PolarHBondContact OE2-CE1 3.41Å; E1650-H1652 VanDerWaalsContact OE2-CE1 3.28Å; E1650-H1652 IonicContact OE2-ND1 2.75Å; H1652-V1654 HydrophobicContact CB-CG1 4.44Å |
| 1653 | E | 87.6 | Confident | 71.7 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 127.3 | 168.3 | -60.1 | -153.8 | 133.6 | 0 | 0 | 111.1 | K1637 L1730 | K1637-E1653 WeakPolarHBondContact CE-OE1 3.39Å; K1637-E1653 WeakPolarHBondContact CE-OE2 3.44Å; K1637-E1653 IonicContact NZ-OE1 3.89Å; K1637-E1653 PolarHBondContact NZ-OE1 3.32Å; K1637-E1653 IonicContact NZ-OE2 3.91Å; K1637-E1653 PolarHBondContact NZ-OE2 3.03Å; E1653-L1730 HydrophobicContact CB-CB 4.43Å; E1653-L1730 HydrophobicContact CB-CD2 4.05Å; E1653-L1730 WeakPolarHBondContact O-CB 3.39Å; E1653-L1730 PolarHBondContact O-N 3.42Å |
| 1654 | V | 91.1 | Very high | 72.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.5 | -172.9 | -43.5 | 0 | 0 | 0 | 0 | 112.1 | K1637 A1638 V1640 H1652 I1717 A1727 F1728 | K1637-V1654 WeakPolarHBondContact CA-O 3.48Å; A1638-V1654 HydrophobicContact CB-CG2 3.81Å; A1638-V1654 PolarHBondContact N-O 2.9Å; A1638-V1654 PolarHBondContact O-N 3.36Å; V1640-V1654 HydrophobicContact CB-CG1 4.1Å; V1640-V1654 HydrophobicContact CG2-CB 4.34Å; V1640-V1654 HydrophobicContact CG2-CG1 3.7Å; V1640-V1654 HydrophobicContact CG2-CG2 3.63Å; H1652-V1654 HydrophobicContact CB-CG1 4.44Å; V1654-I1717 HydrophobicContact CB-CD1 4.08Å; V1654-I1717 HydrophobicContact CG1-CD1 3.39Å; V1654-A1727 HydrophobicContact CB-CB 4.47Å; V1654-A1727 HydrophobicContact CG2-CB 4.25Å; V1654-F1728 CarbonylContact C-O 3.47Å; V1654-F1728 VanDerWaalsContact CA-O 3.27Å; V1654-F1728 WeakPolarHBondContact CA-O 3.47Å; V1654-F1728 WeakPolarHBondContact CB-O 3.37Å |
| 1655 | A | 91.3 | Very high | 74 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 12% | 0.116 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | L1627 V1635 F1728 L1730 | L1627-A1655 HydrophobicContact CD1-CB 4.43Å; V1635-A1655 HydrophobicContact CG1-CB 4.1Å; A1655-F1728 PolarHBondContact N-O 3.24Å; A1655-F1728 PolarHBondContact O-N 3.48Å; A1655-L1730 HydrophobicContact CB-CD1 4.13Å |
| 1656 | L | 90.6 | Very high | 75.1 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.5 | -178.6 | -167.2 | 71.5 | 0 | 0 | 0 | 109.8 | V1621 V1635 F1636 A1638 M1658 A1727 | V1621-L1656 HydrophobicContact CG1-CD1 4.5Å; V1621-L1656 HydrophobicContact CG1-CD2 3.93Å; V1635-L1656 WeakPolarHBondContact CA-O 3.2Å; F1636-L1656 PolarHBondContact N-O 2.81Å; F1636-L1656 PolarHBondContact O-N 3.46Å; A1638-L1656 HydrophobicContact CB-CB 4.21Å; A1638-L1656 HydrophobicContact CB-CD2 4.39Å; L1656-M1658 HydrophobicContact CB-SD 4.41Å; L1656-M1658 HydrophobicContact CD2-CE 4.39Å; L1656-M1658 HydrophobicContact CD2-SD 3.55Å; L1656-M1658 VanDerWaalsContact CD2-SD 3.55Å; L1656-M1658 HydrophobicContact CG-SD 3.62Å; L1656-A1727 HydrophobicContact CD1-CB 4.05Å |
| 1657 | K | 91.1 | Very high | 76.6 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.8 | 179.8 | -168.2 | -175.3 | -165.8 | -173.3 | 0 | 109.3 | F1632 E1701 S1725 L1726 F1728 D1805 | F1632-K1657 HydrophobicContact CD2-CD 4.19Å; F1632-K1657 VanDerWaalsContact CD2-CE 3.49Å; F1632-K1657 HydrophobicContact CD2-CG 3.66Å; F1632-K1657 HydrophobicContact CE2-CD 4.26Å; F1632-K1657 HydrophobicContact CE2-CG 3.59Å; F1632-K1657 HydrophobicContact CG-CD 4.45Å; F1632-K1657 HydrophobicContact CG-CG 4.4Å; F1632-K1657 HydrophobicContact CZ-CG 4.25Å; K1657-E1701 IonicContact NZ-OE1 3.99Å; K1657-E1701 PolarHBondContact NZ-OE1 2.86Å; K1657-E1701 IonicContact NZ-OE2 3.26Å; K1657-E1701 PolarHBondContact NZ-OE2 2.99Å; K1657-S1725 CarbonylContact O-C 3.56Å; K1657-S1725 WeakPolarHBondContact O-CA 3.38Å; K1657-S1725 VanDerWaalsContact O-CB 3.23Å; K1657-S1725 WeakPolarHBondContact O-CB 3.42Å; K1657-L1726 HydrophobicContact CB-CB 4.35Å; K1657-L1726 PolarHBondContact N-O 3.14Å; K1657-L1726 PolarHBondContact O-N 3.17Å; K1657-F1728 HydrophobicContact CB-CD2 4.36Å; K1657-F1728 HydrophobicContact CB-CE2 4Å; K1657-F1728 HydrophobicContact CD-CE2 3.96Å; K1657-D1805 IonicContact NZ-OD1 2.7Å; K1657-D1805 PolarHBondContact NZ-OD1 3.27Å |
| 1658 | M | 89.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.5 | -177.4 | -49.1 | -53.6 | -68.6 | 0 | 0 | 110.6 | F1634 F1636 L1656 V1662 P1723 | F1634-M1658 WeakPolarHBondContact O-CB 3.48Å; F1634-M1658 PolarHBondContact O-N 3.13Å; F1636-M1658 HydrophobicContact CD2-CG 3.52Å; F1636-M1658 HydrophobicContact CD2-SD 4.28Å; F1636-M1658 HydrophobicContact CE2-CG 3.61Å; L1656-M1658 HydrophobicContact CB-SD 4.41Å; L1656-M1658 HydrophobicContact CD2-CE 4.39Å; L1656-M1658 HydrophobicContact CD2-SD 3.55Å; L1656-M1658 VanDerWaalsContact CD2-SD 3.55Å; L1656-M1658 HydrophobicContact CG-SD 3.62Å; M1658-V1662 HydrophobicContact CE-CB 4.38Å; M1658-V1662 HydrophobicContact CE-CG1 4.48Å; M1658-V1662 HydrophobicContact CE-CG2 3.82Å; M1658-P1723 HydrophobicContact CE-CB 4.25Å; M1658-P1723 HydrophobicContact CE-CG 3.72Å |
| 1659 | L | 88.1 | Confident | 79.8 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -94.9 | 1.4 | 175.9 | -57.8 | 175.5 | 0 | 0 | 0 | 112.3 | F1632 A1694 T1697 A1698 L1724 L1726 | F1632-L1659 HydrophobicContact CB-CD2 4Å; L1659-A1694 HydrophobicContact CB-CB 4.03Å; L1659-A1694 VanDerWaalsContact O-CB 3.31Å; L1659-A1694 WeakPolarHBondContact O-CB 3.26Å; L1659-T1697 HydrophobicContact CD2-CG2 3.99Å; L1659-A1698 HydrophobicContact CD1-CB 3.63Å; L1659-L1724 HydrophobicContact CD1-CG 4.48Å; L1659-L1724 PolarHBondContact N-O 3Å; L1659-L1724 VanDerWaalsContact N-O 3.16Å; L1659-L1726 HydrophobicContact CD1-CG 4.44Å |
| 1660 | Q | 88.5 | Confident | 81.2 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -119.9 | 153.4 | 177.7 | -62.5 | -177.9 | -24.4 | 0 | 0 | 110.9 | V1662 W1683 L1724 | Q1660-V1662 PolarHBondContact O-N 3.16Å; Q1660-V1662 VanDerWaalsContact O-N 3.09Å; Q1660-W1683 HydrophobicContact CB-CH2 4.32Å; Q1660-W1683 HydrophobicContact CG-CH2 3.76Å; Q1660-W1683 HydrophobicContact CG-CZ2 4.23Å; Q1660-W1683 HydrophobicContact CG-CZ3 4.39Å; Q1660-L1724 VanDerWaalsContact CD-N 3.31Å; Q1660-L1724 HydrophobicContact CG-CB 4.09Å; Q1660-L1724 VanDerWaalsContact OE1-N 3.1Å |
| 1661 | P | 85.3 | Confident | 82 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | trans | -68 | 107.6 | 176 | -14.2 | 27.4 | 0 | 0 | 0 | 110.7 | F1676 A1679 L1680 W1683 | P1661-F1676 HydrophobicContact CB-CD2 4.38Å; P1661-F1676 HydrophobicContact CB-CE2 4.31Å; P1661-A1679 HydrophobicContact CB-CB 4.06Å; P1661-A1679 HydrophobicContact CG-CB 4.21Å; P1661-L1680 HydrophobicContact CB-CB 4.43Å; P1661-W1683 HydrophobicContact CG-CB 3.86Å; P1661-W1683 HydrophobicContact CG-CD2 3.92Å; P1661-W1683 HydrophobicContact CG-CE3 3.61Å; P1661-W1683 HydrophobicContact CG-CG 4.05Å; P1661-W1683 HydrophobicContact CG-CZ3 4.45Å | ||
| 1662 | V | 86.5 | Confident | 82.1 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | trans | -122.3 | 141.4 | -179.7 | 172 | 0 | 0 | 0 | 0 | 109.7 | R1623 F1636 M1658 Q1660 F1676 P1723 | R1623-V1662 VanDerWaalsContact CZ-CG1 3.5Å; F1636-V1662 HydrophobicContact CE2-CG1 4.47Å; F1636-V1662 HydrophobicContact CZ-CG1 4.41Å; M1658-V1662 HydrophobicContact CE-CB 4.38Å; M1658-V1662 HydrophobicContact CE-CG1 4.48Å; M1658-V1662 HydrophobicContact CE-CG2 3.82Å; Q1660-V1662 PolarHBondContact O-N 3.16Å; Q1660-V1662 VanDerWaalsContact O-N 3.09Å; V1662-F1676 VanDerWaalsContact C-CE2 3.44Å; V1662-F1676 WeakPolarHBondContact O-CD2 3.03Å; V1662-P1723 HydrophobicContact CG2-CB 4.43Å | ||
| 1663 | D | 84.4 | Confident | 82.3 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | trans | -59.9 | 126.3 | -177.3 | -165.1 | -57.6 | 0 | 0 | 0 | 110.8 | R1623 G1665 F1676 | R1623-D1663 PolarHBondContact NH2-O 3.13Å; D1663-G1665 PolarHBondContact O-N 2.97Å; D1663-G1665 WeakPolarHBondContact OD1-CA 3.47Å; D1663-G1665 PolarHBondContact OD1-N 2.83Å; D1663-F1676 HydrophobicContact CB-CE1 3.99Å; D1663-F1676 HydrophobicContact CB-CZ 3.93Å | ||
| 1664 | P | 81.7 | Confident | 82.1 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | trans | -68.6 | -11.4 | -178.3 | 30.7 | -37.2 | 0 | 0 | 0 | 113.7 | L1626 A1668 A1672 L1673 F1676 | L1626-P1664 HydrophobicContact CD2-CB 4.05Å; P1664-A1668 HydrophobicContact CB-CB 3.63Å; P1664-A1668 HydrophobicContact CG-CB 3.66Å; P1664-A1672 HydrophobicContact CB-CB 4.39Å; P1664-L1673 HydrophobicContact CG-CD2 3.81Å; P1664-L1673 HydrophobicContact CG-CG 4.26Å; P1664-F1676 HydrophobicContact CG-CB 4.38Å | ||
| 1665 | G | 80.2 | Confident | 81.5 | Confident | 29 Ų | 29 | 50 Ų | 50 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | trans | 93.9 | 175 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115 | D1663 G1667 A1668 | D1663-G1665 PolarHBondContact O-N 2.97Å; D1663-G1665 WeakPolarHBondContact OD1-CA 3.47Å; D1663-G1665 PolarHBondContact OD1-N 2.83Å; G1665-G1667 PolarHBondContact O-N 3.39Å; G1665-A1668 VanDerWaalsContact O-CB 3.25Å; G1665-A1668 WeakPolarHBondContact O-CB 3.41Å; G1665-A1668 PolarHBondContact O-N 3.44Å | ||
| 1666 | F | 66.8 | Low | 81.3 | Confident | 228 Ų | 228 | 50.5 Ų | 50.5 | 100% | 1 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 131.7 | -179.9 | -160.2 | -92.9 | 0 | 0 | 0 | 110.8 | ||
| 1667 | G | 66.6 | Low | 81.1 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 5.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1665 | G1665-G1667 PolarHBondContact O-N 3.39Š|
| 1668 | A | 68.2 | Low | 80.8 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | trans | -64.1 | 140.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1664 G1665 L1673 | P1664-A1668 HydrophobicContact CB-CB 3.63Å; P1664-A1668 HydrophobicContact CG-CB 3.66Å; G1665-A1668 VanDerWaalsContact O-CB 3.25Å; G1665-A1668 WeakPolarHBondContact O-CB 3.41Å; G1665-A1668 PolarHBondContact O-N 3.44Å; A1668-L1673 HydrophobicContact CB-CG 4.19Å | ||
| 1669 | Q | 76 | Confident | 80.4 | Confident | 146 Ų | 146 | 60.4 Ų | 60.4 | 68% | 0.682 | 36% | 0.364 | S | S | * | . | trans | -59.3 | 146.8 | 176.5 | -68.8 | -174.6 | -6.1 | 0 | 0 | 112.1 | S1671 A1672 L1673 | Q1669-S1671 PolarHBondContact O-N 2.79Å; Q1669-S1671 VanDerWaalsContact O-N 3.09Å; Q1669-A1672 WeakPolarHBondContact O-CA 3.27Å; Q1669-A1672 WeakPolarHBondContact O-CB 3.22Å; Q1669-A1672 PolarHBondContact O-N 3.08Å; Q1669-L1673 PolarHBondContact O-N 3.06Å; Q1669-L1673 VanDerWaalsContact O-N 3.1Å | ||
| 1670 | A | 78.5 | Confident | 80.5 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -52.9 | -35.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1673 A1674 | A1670-L1673 PolarHBondContact O-N 2.91Å; A1670-A1674 WeakPolarHBondContact O-CB 3.31Å; A1670-A1674 PolarHBondContact O-N 2.76Å |
| 1671 | S | 77.3 | Confident | 80.5 | Confident | 50 Ų | 50 | 66 Ų | 66 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 176.6 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | R1629 Q1669 M1675 | R1629-S1671 PolarHBondContact NH1-OG 3.08Å; Q1669-S1671 PolarHBondContact O-N 2.79Å; Q1669-S1671 VanDerWaalsContact O-N 3.09Å; S1671-M1675 WeakPolarHBondContact O-CB 3.48Å; S1671-M1675 WeakPolarHBondContact O-CG 3.29Å; S1671-M1675 PolarHBondContact O-N 3.04Å; S1671-M1675 VanDerWaalsContact O-N 3.11Å |
| 1672 | A | 75.4 | Confident | 80.4 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.1 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1626 F1634 P1664 Q1669 A1674 M1675 F1676 | L1626-A1672 HydrophobicContact CD2-CB 4.21Å; F1634-A1672 HydrophobicContact CE1-CB 4.41Å; P1664-A1672 HydrophobicContact CB-CB 4.39Å; Q1669-A1672 WeakPolarHBondContact O-CA 3.27Å; Q1669-A1672 WeakPolarHBondContact O-CB 3.22Å; Q1669-A1672 PolarHBondContact O-N 3.08Å; A1672-A1674 PolarHBondContact O-N 2.9Å; A1672-M1675 PolarHBondContact O-N 3.17Å; A1672-F1676 WeakPolarHBondContact O-CB 3.34Å; A1672-F1676 PolarHBondContact O-N 2.87Å |
| 1673 | L | 83.8 | Confident | 80.5 | Confident | 62 Ų | 62 | 73.9 Ų | 73.9 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 174.5 | -73.6 | 165.9 | 0 | 0 | 0 | 112.4 | P1664 A1668 Q1669 A1670 K1677 | P1664-L1673 HydrophobicContact CG-CD2 3.81Å; P1664-L1673 HydrophobicContact CG-CG 4.26Å; A1668-L1673 HydrophobicContact CB-CG 4.19Å; Q1669-L1673 PolarHBondContact O-N 3.06Å; Q1669-L1673 VanDerWaalsContact O-N 3.1Å; A1670-L1673 PolarHBondContact O-N 2.91Å; L1673-K1677 WeakPolarHBondContact O-CG 3.39Å; L1673-K1677 PolarHBondContact O-N 2.95Å |
| 1674 | A | 82.6 | Confident | 80.7 | Confident | 59 Ų | 59 | 78 Ų | 78 | 49% | 0.488 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1670 A1672 K1677 A1678 | A1670-A1674 WeakPolarHBondContact O-CB 3.31Å; A1670-A1674 PolarHBondContact O-N 2.76Å; A1672-A1674 PolarHBondContact O-N 2.9Å; A1674-K1677 PolarHBondContact O-N 3.15Å; A1674-A1678 PolarHBondContact O-N 3.45Å |
| 1675 | M | 78.8 | Confident | 81 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.1 | -71 | -109 | -75.3 | 0 | 0 | 112.4 | R1629 F1634 S1671 A1672 A1678 A1679 | R1629-M1675 HydrophobicContact CG-CE 4.45Å; F1634-M1675 HydrophobicContact CZ-CB 4.39Å; S1671-M1675 WeakPolarHBondContact O-CB 3.48Å; S1671-M1675 WeakPolarHBondContact O-CG 3.29Å; S1671-M1675 PolarHBondContact O-N 3.04Å; S1671-M1675 VanDerWaalsContact O-N 3.11Å; A1672-M1675 PolarHBondContact O-N 3.17Å; M1675-A1678 PolarHBondContact O-N 2.81Å; M1675-A1679 WeakPolarHBondContact O-CB 3.42Å; M1675-A1679 PolarHBondContact O-N 3.27Å |
| 1676 | F | 86.2 | Confident | 81.3 | Confident | 23 Ų | 23 | 89.7 Ų | 89.7 | 10% | 0.101 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 174.8 | 168 | -120.6 | 0 | 0 | 0 | 111.6 | F1634 P1661 V1662 D1663 P1664 A1672 A1678 A1679 L1680 | F1634-F1676 HydrophobicContact CE2-CB 4.05Å; F1634-F1676 HydrophobicContact CZ-CB 3.96Å; P1661-F1676 HydrophobicContact CB-CD2 4.38Å; P1661-F1676 HydrophobicContact CB-CE2 4.31Å; V1662-F1676 VanDerWaalsContact C-CE2 3.44Å; V1662-F1676 WeakPolarHBondContact O-CD2 3.03Å; D1663-F1676 HydrophobicContact CB-CE1 3.99Å; D1663-F1676 HydrophobicContact CB-CZ 3.93Å; P1664-F1676 HydrophobicContact CG-CB 4.38Å; A1672-F1676 WeakPolarHBondContact O-CB 3.34Å; A1672-F1676 PolarHBondContact O-N 2.87Å; F1676-A1678 VanDerWaalsContact C-N 3.34Å; F1676-A1678 PolarHBondContact O-N 2.93Å; F1676-A1679 PolarHBondContact O-N 2.84Å; F1676-L1680 HydrophobicContact CE1-CD2 4.48Å; F1676-L1680 HydrophobicContact CE2-CB 4.38Å; F1676-L1680 HydrophobicContact CE2-CD2 4.42Å; F1676-L1680 HydrophobicContact CZ-CD2 3.99Å; F1676-L1680 VanDerWaalsContact O-CB 3.31Å; F1676-L1680 WeakPolarHBondContact O-CB 3.39Å; F1676-L1680 PolarHBondContact O-N 2.96Å |
| 1677 | K | 86.8 | Confident | 82.4 | Confident | 140 Ų | 140 | 81 Ų | 81 | 61% | 0.609 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.1 | -43.4 | 175.5 | -73.3 | 174.7 | -179.1 | -178.7 | 0 | 111.8 | L1673 A1674 L1680 V1681 | L1673-K1677 WeakPolarHBondContact O-CG 3.39Å; L1673-K1677 PolarHBondContact O-N 2.95Å; A1674-K1677 PolarHBondContact O-N 3.15Å; K1677-L1680 PolarHBondContact O-N 3.1Å; K1677-V1681 WeakPolarHBondContact O-CB 3.46Å; K1677-V1681 VanDerWaalsContact O-CG2 3.27Å; K1677-V1681 WeakPolarHBondContact O-CG2 3.46Å; K1677-V1681 PolarHBondContact O-N 2.87Å |
| 1678 | A | 84.1 | Confident | 83.3 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 42% | 0.421 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1674 M1675 F1676 R1682 | A1674-A1678 PolarHBondContact O-N 3.45Å; M1675-A1678 PolarHBondContact O-N 2.81Å; F1676-A1678 VanDerWaalsContact C-N 3.34Å; F1676-A1678 PolarHBondContact O-N 2.93Å; A1678-R1682 WeakPolarHBondContact O-CG 3.3Å; A1678-R1682 PolarHBondContact O-N 3.26Å; A1678-R1682 VanDerWaalsContact O-N 3.1Å |
| 1679 | A | 83.5 | Confident | 84.2 | Confident | 33 Ų | 33 | 82.5 Ų | 82.5 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1661 M1675 F1676 V1681 R1682 W1683 | P1661-A1679 HydrophobicContact CB-CB 4.06Å; P1661-A1679 HydrophobicContact CG-CB 4.21Å; M1675-A1679 WeakPolarHBondContact O-CB 3.42Å; M1675-A1679 PolarHBondContact O-N 3.27Å; F1676-A1679 PolarHBondContact O-N 2.84Å; A1679-V1681 PolarHBondContact O-N 3.43Å; A1679-R1682 PolarHBondContact O-N 2.99Å; A1679-W1683 PolarHBondContact O-N 2.82Å |
| 1680 | L | 88.4 | Confident | 84.7 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 28% | 0.277 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 177.7 | -173.6 | 65.7 | 0 | 0 | 0 | 112.2 | P1661 F1676 K1677 W1683 K1684 | P1661-L1680 HydrophobicContact CB-CB 4.43Å; F1676-L1680 HydrophobicContact CE1-CD2 4.48Å; F1676-L1680 HydrophobicContact CE2-CB 4.38Å; F1676-L1680 HydrophobicContact CE2-CD2 4.42Å; F1676-L1680 HydrophobicContact CZ-CD2 3.99Å; F1676-L1680 VanDerWaalsContact O-CB 3.31Å; F1676-L1680 WeakPolarHBondContact O-CB 3.39Å; F1676-L1680 PolarHBondContact O-N 2.96Å; K1677-L1680 PolarHBondContact O-N 3.1Å; L1680-W1683 PolarHBondContact O-N 2.84Å; L1680-K1684 HydrophobicContact CG-CD 4.4Å; L1680-K1684 WeakPolarHBondContact O-CB 3.2Å; L1680-K1684 WeakPolarHBondContact O-CG 3.42Å; L1680-K1684 PolarHBondContact O-N 3.16Å |
| 1681 | V | 89.2 | Confident | 85.2 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.4 | -39.6 | 173.7 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | K1677 A1679 R1685 | K1677-V1681 WeakPolarHBondContact O-CB 3.46Å; K1677-V1681 VanDerWaalsContact O-CG2 3.27Å; K1677-V1681 WeakPolarHBondContact O-CG2 3.46Å; K1677-V1681 PolarHBondContact O-N 2.87Å; A1679-V1681 PolarHBondContact O-N 3.43Å; V1681-R1685 WeakPolarHBondContact O-CB 3.45Å; V1681-R1685 PolarHBondContact O-N 2.94Å; V1681-R1685 VanDerWaalsContact O-N 3.08Å |
| 1682 | R | 83.3 | Confident | 85.7 | Confident | 179 Ų | 179 | 71.1 Ų | 71.1 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.1 | -47.4 | 173.4 | -72.6 | 173.2 | 179.5 | -179.7 | -0.1 | 111.5 | A1678 A1679 K1684 R1685 D1686 N1690 | A1678-R1682 WeakPolarHBondContact O-CG 3.3Å; A1678-R1682 PolarHBondContact O-N 3.26Å; A1678-R1682 VanDerWaalsContact O-N 3.1Å; A1679-R1682 PolarHBondContact O-N 2.99Å; R1682-K1684 PolarHBondContact O-N 2.65Å; R1682-R1685 PolarHBondContact O-N 3.18Å; R1682-R1685 VanDerWaalsContact O-N 3.15Å; R1682-D1686 PolarHBondContact O-N 2.67Å; R1682-D1686 VanDerWaalsContact O-N 3.1Å; R1682-N1690 PolarHBondContact O-ND2 3.04Å |
| 1683 | W | 88.3 | Confident | 86.2 | Confident | 36 Ų | 36 | 79 Ų | 79 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 178.6 | -162.4 | -74.5 | 0 | 0 | 0 | 112.6 | Q1660 P1661 A1679 L1680 R1685 D1686 P1687 N1690 A1694 | Q1660-W1683 HydrophobicContact CB-CH2 4.32Å; Q1660-W1683 HydrophobicContact CG-CH2 3.76Å; Q1660-W1683 HydrophobicContact CG-CZ2 4.23Å; Q1660-W1683 HydrophobicContact CG-CZ3 4.39Å; P1661-W1683 HydrophobicContact CG-CB 3.86Å; P1661-W1683 HydrophobicContact CG-CD2 3.92Å; P1661-W1683 HydrophobicContact CG-CE3 3.61Å; P1661-W1683 HydrophobicContact CG-CG 4.05Å; P1661-W1683 HydrophobicContact CG-CZ3 4.45Å; A1679-W1683 PolarHBondContact O-N 2.82Å; L1680-W1683 PolarHBondContact O-N 2.84Å; W1683-R1685 VanDerWaalsContact C-N 3.3Å; W1683-R1685 PolarHBondContact O-N 3.1Å; W1683-D1686 CarbonylContact O-C 3.47Å; W1683-D1686 VanDerWaalsContact O-C 3.32Å; W1683-P1687 WeakPolarHBondContact O-CA 3.3Å; W1683-P1687 WeakPolarHBondContact O-CB 2.79Å; W1683-N1690 HydrophobicContact CD2-CB 3.8Å; W1683-N1690 HydrophobicContact CE3-CB 3.36Å; W1683-N1690 HydrophobicContact CG-CB 4.38Å; W1683-N1690 HydrophobicContact CH2-CB 4.4Å; W1683-N1690 HydrophobicContact CZ3-CB 3.71Å; W1683-N1690 WeakPolarHBondContact CZ3-O 3.2Å; W1683-A1694 HydrophobicContact CH2-CB 4.01Å; W1683-A1694 HydrophobicContact CZ3-CB 4.33Å |
| 1684 | K | 88.8 | Confident | 86.4 | Confident | 161 Ų | 161 | 76.3 Ų | 76.3 | 70% | 0.7 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.9 | -21.1 | 175.5 | -74.2 | -175.6 | 175.1 | -171.1 | 0 | 114 | L1680 R1682 | L1680-K1684 HydrophobicContact CG-CD 4.4Å; L1680-K1684 WeakPolarHBondContact O-CB 3.2Å; L1680-K1684 WeakPolarHBondContact O-CG 3.42Å; L1680-K1684 PolarHBondContact O-N 3.16Å; R1682-K1684 PolarHBondContact O-N 2.65Å |
| 1685 | R | 88.1 | Confident | 86.7 | Confident | 227 Ų | 227 | 74.3 Ų | 74.3 | 86% | 0.857 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -80.2 | -39.3 | 175.6 | 178.1 | 177 | 172.3 | 174.4 | -1.5 | 112.2 | V1681 R1682 W1683 | V1681-R1685 WeakPolarHBondContact O-CB 3.45Å; V1681-R1685 PolarHBondContact O-N 2.94Å; V1681-R1685 VanDerWaalsContact O-N 3.08Å; R1682-R1685 PolarHBondContact O-N 3.18Å; R1682-R1685 VanDerWaalsContact O-N 3.15Å; W1683-R1685 VanDerWaalsContact C-N 3.3Å; W1683-R1685 PolarHBondContact O-N 3.1Å |
| 1686 | D | 86.8 | Confident | 87 | Confident | 58 Ų | 58 | 72 Ų | 72 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | trans | -143.1 | 85.6 | 176.1 | -169.5 | -23.1 | 0 | 0 | 0 | 109.9 | R1682 W1683 V1688 Q1689 N1690 | R1682-D1686 PolarHBondContact O-N 2.67Å; R1682-D1686 VanDerWaalsContact O-N 3.1Å; W1683-D1686 CarbonylContact O-C 3.47Å; W1683-D1686 VanDerWaalsContact O-C 3.32Å; D1686-V1688 VanDerWaalsContact C-N 3.29Å; D1686-V1688 PolarHBondContact O-N 3.04Å; D1686-V1688 PolarHBondContact OD1-N 3.12Å; D1686-Q1689 HydrophobicContact CB-CB 4.25Å; D1686-Q1689 WeakPolarHBondContact OD1-CB 3.47Å; D1686-Q1689 PolarHBondContact OD1-N 3.29Å; D1686-Q1689 VanDerWaalsContact OD2-CB 3.31Å; D1686-Q1689 WeakPolarHBondContact OD2-CB 3.32Å; D1686-N1690 PolarHBondContact O-N 3.19Å; D1686-N1690 PolarHBondContact O-ND2 3.29Å | ||
| 1687 | P | 88.7 | Confident | 86.9 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.7 | -29.8 | -177.1 | 27 | -33.8 | 0 | 0 | 0 | 111.8 | L1580 W1683 S1691 | L1580-P1687 HydrophobicContact CD1-CB 3.95Å; L1580-P1687 HydrophobicContact CD2-CB 4.3Å; L1580-P1687 HydrophobicContact CD2-CG 4.28Å; W1683-P1687 WeakPolarHBondContact O-CA 3.3Å; W1683-P1687 WeakPolarHBondContact O-CB 2.79Å; P1687-S1691 VanDerWaalsContact O-CB 3.27Å; P1687-S1691 WeakPolarHBondContact O-CB 3.45Å; P1687-S1691 PolarHBondContact O-N 3.38Å; P1687-S1691 PolarHBondContact O-OG 3Å; P1687-S1691 VanDerWaalsContact O-OG 3.08Å |
| 1688 | V | 86.7 | Confident | 87 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 26% | 0.255 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.8 | -49.2 | -178.4 | -179.1 | 0 | 0 | 0 | 0 | 111 | F1493 E1576 L1580 D1686 N1690 S1691 C1692 | F1493-V1688 HydrophobicContact CE1-CG1 4.1Å; F1493-V1688 HydrophobicContact CZ-CG1 4.45Å; E1576-V1688 HydrophobicContact CB-CG1 3.68Å; L1580-V1688 HydrophobicContact CD2-CG2 3.73Å; D1686-V1688 VanDerWaalsContact C-N 3.29Å; D1686-V1688 PolarHBondContact O-N 3.04Å; D1686-V1688 PolarHBondContact OD1-N 3.12Å; V1688-N1690 VanDerWaalsContact C-N 3.32Å; V1688-N1690 PolarHBondContact O-N 3.35Å; V1688-S1691 PolarHBondContact O-OG 3.18Å; V1688-C1692 VanDerWaalsContact O-CB 3.28Å; V1688-C1692 WeakPolarHBondContact O-CB 3.28Å; V1688-C1692 PolarHBondContact O-N 3.22Å; V1688-C1692 PolarHBondContact O-SG 3.46Å |
| 1689 | Q | 86.6 | Confident | 87.1 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.8 | -178.2 | 176.9 | 76.6 | 0 | 0 | 111.6 | F1493 D1686 R1693 | F1493-Q1689 HydrophobicContact CD2-CB 4.44Å; F1493-Q1689 HydrophobicContact CD2-CG 4Å; F1493-Q1689 HydrophobicContact CE2-CB 4.11Å; F1493-Q1689 HydrophobicContact CE2-CG 3.88Å; F1493-Q1689 HydrophobicContact CZ-CB 4.26Å; D1686-Q1689 HydrophobicContact CB-CB 4.25Å; D1686-Q1689 WeakPolarHBondContact OD1-CB 3.47Å; D1686-Q1689 PolarHBondContact OD1-N 3.29Å; D1686-Q1689 VanDerWaalsContact OD2-CB 3.31Å; D1686-Q1689 WeakPolarHBondContact OD2-CB 3.32Å; Q1689-R1693 WeakPolarHBondContact O-CB 3.2Å; Q1689-R1693 PolarHBondContact O-N 3.18Å |
| 1690 | N | 87.2 | Confident | 87 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77.8 | -37.1 | -177.3 | -68.8 | -82.5 | 0 | 0 | 0 | 112.9 | R1682 W1683 D1686 V1688 R1693 A1694 | R1682-N1690 PolarHBondContact O-ND2 3.04Å; W1683-N1690 HydrophobicContact CD2-CB 3.8Å; W1683-N1690 HydrophobicContact CE3-CB 3.36Å; W1683-N1690 HydrophobicContact CG-CB 4.38Å; W1683-N1690 HydrophobicContact CH2-CB 4.4Å; W1683-N1690 HydrophobicContact CZ3-CB 3.71Å; W1683-N1690 WeakPolarHBondContact CZ3-O 3.2Å; D1686-N1690 PolarHBondContact O-N 3.19Å; D1686-N1690 PolarHBondContact O-ND2 3.29Å; V1688-N1690 VanDerWaalsContact C-N 3.32Å; V1688-N1690 PolarHBondContact O-N 3.35Å; N1690-R1693 PolarHBondContact O-N 2.87Å; N1690-A1694 PolarHBondContact O-N 3.43Å |
| 1691 | S | 89.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 172.8 | 69.8 | 0 | 0 | 0 | 0 | 111.7 | P1687 V1688 R1693 A1694 Y1695 | P1687-S1691 VanDerWaalsContact O-CB 3.27Å; P1687-S1691 WeakPolarHBondContact O-CB 3.45Å; P1687-S1691 PolarHBondContact O-N 3.38Å; P1687-S1691 PolarHBondContact O-OG 3Å; P1687-S1691 VanDerWaalsContact O-OG 3.08Å; V1688-S1691 PolarHBondContact O-OG 3.18Å; S1691-R1693 PolarHBondContact O-N 3.23Å; S1691-A1694 PolarHBondContact O-N 2.97Å; S1691-Y1695 WeakPolarHBondContact O-CB 3.42Å; S1691-Y1695 PolarHBondContact O-N 2.95Å |
| 1692 | C | 87.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.4 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | F1493 E1576 V1688 Y1695 C1696 | F1493-C1692 HydrophobicContact CE2-CB 4.4Å; F1493-C1692 HydrophobicContact CZ-CB 4.03Å; E1576-C1692 VanDerWaalsContact CA-SG 3.5Å; E1576-C1692 WeakPolarHBondContact CB-SG 3.49Å; E1576-C1692 VanDerWaalsContact CG-SG 3.57Å; V1688-C1692 VanDerWaalsContact O-CB 3.28Å; V1688-C1692 WeakPolarHBondContact O-CB 3.28Å; V1688-C1692 PolarHBondContact O-N 3.22Å; V1688-C1692 PolarHBondContact O-SG 3.46Å; C1692-Y1695 PolarHBondContact O-N 3.17Å; C1692-C1696 WeakPolarHBondContact O-CB 3.29Å; C1692-C1696 PolarHBondContact O-N 2.91Å; C1692-C1696 PolarHBondContact O-SG 3.07Å; C1692-C1696 VanDerWaalsContact O-SG 3.32Å |
| 1693 | R | 85.6 | Confident | 86.6 | Confident | 171 Ų | 171 | 51.6 Ų | 51.6 | 65% | 0.645 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.7 | -45.4 | 176.5 | -175.3 | 176.4 | 178.3 | 166.7 | 1.6 | 111.5 | Q1689 N1690 S1691 Y1695 C1696 T1697 | Q1689-R1693 WeakPolarHBondContact O-CB 3.2Å; Q1689-R1693 PolarHBondContact O-N 3.18Å; N1690-R1693 PolarHBondContact O-N 2.87Å; S1691-R1693 PolarHBondContact O-N 3.23Å; R1693-Y1695 PolarHBondContact O-N 3.21Å; R1693-C1696 PolarHBondContact O-N 2.93Å; R1693-T1697 PolarHBondContact O-N 2.59Å; R1693-T1697 PolarHBondContact O-OG1 3.36Å |
| 1694 | A | 87.7 | Confident | 86.3 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1659 W1683 N1690 S1691 T1697 A1698 L1724 | L1659-A1694 HydrophobicContact CB-CB 4.03Å; L1659-A1694 VanDerWaalsContact O-CB 3.31Å; L1659-A1694 WeakPolarHBondContact O-CB 3.26Å; W1683-A1694 HydrophobicContact CH2-CB 4.01Å; W1683-A1694 HydrophobicContact CZ3-CB 4.33Å; N1690-A1694 PolarHBondContact O-N 3.43Å; S1691-A1694 PolarHBondContact O-N 2.97Å; A1694-T1697 PolarHBondContact O-N 3.28Å; A1694-A1698 WeakPolarHBondContact O-CB 3.47Å; A1694-A1698 PolarHBondContact O-N 3.41Å; A1694-L1724 HydrophobicContact CB-CD2 4.13Å |
| 1695 | Y | 89.8 | Confident | 86.2 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 174.8 | 172.3 | -97.9 | 0 | 0 | 0 | 112.6 | I1579 D1604 F1607 S1691 C1692 R1693 A1698 R1699 | I1579-Y1695 HydrophobicContact CD1-CD1 3.54Å; I1579-Y1695 HydrophobicContact CD1-CE1 3.89Å; I1579-Y1695 HydrophobicContact CD1-CG 4.05Å; I1579-Y1695 HydrophobicContact CG1-CD1 4.08Å; I1579-Y1695 HydrophobicContact CG1-CD2 4.5Å; I1579-Y1695 HydrophobicContact CG1-CE1 4.4Å; I1579-Y1695 HydrophobicContact CG1-CG 4.13Å; I1579-Y1695 HydrophobicContact CG2-CG 4.11Å; D1604-Y1695 PolarHBondContact O-OH 2.91Å; F1607-Y1695 HydrophobicContact CE1-CD2 4.25Å; F1607-Y1695 HydrophobicContact CE1-CE2 4.04Å; F1607-Y1695 HydrophobicContact CE2-CD2 4.19Å; F1607-Y1695 HydrophobicContact CE2-CE2 4.4Å; F1607-Y1695 AromaticContact CZ-CD2 3.68Å; F1607-Y1695 HydrophobicContact CZ-CD2 3.68Å; F1607-Y1695 AromaticContact CZ-CE2 3.88Å; F1607-Y1695 HydrophobicContact CZ-CE2 3.88Å; S1691-Y1695 WeakPolarHBondContact O-CB 3.42Å; S1691-Y1695 PolarHBondContact O-N 2.95Å; C1692-Y1695 PolarHBondContact O-N 3.17Å; R1693-Y1695 PolarHBondContact O-N 3.21Å; Y1695-A1698 PolarHBondContact O-N 2.88Å; Y1695-R1699 HydrophobicContact CD1-CG 4.38Å; Y1695-R1699 HydrophobicContact CD2-CG 4.46Å; Y1695-R1699 HydrophobicContact CE1-CG 3.92Å; Y1695-R1699 HydrophobicContact CE2-CG 3.99Å; Y1695-R1699 WeakPolarHBondContact O-CB 3.49Å; Y1695-R1699 WeakPolarHBondContact O-CG 3.24Å; Y1695-R1699 PolarHBondContact O-N 2.71Å; Y1695-R1699 PolarHBondContact OH-NE 3.48Å |
| 1696 | C | 85.1 | Confident | 85.9 | Confident | 43 Ų | 43 | 35 Ų | 35 | 29% | 0.291 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.6 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | R1492 C1692 R1693 R1699 Q1700 | R1492-C1696 VanDerWaalsContact CZ-SG 3.55Å; C1692-C1696 WeakPolarHBondContact O-CB 3.29Å; C1692-C1696 PolarHBondContact O-N 2.91Å; C1692-C1696 PolarHBondContact O-SG 3.07Å; C1692-C1696 VanDerWaalsContact O-SG 3.32Å; R1693-C1696 PolarHBondContact O-N 2.93Å; C1696-R1699 PolarHBondContact O-N 3.45Å; C1696-Q1700 WeakPolarHBondContact O-CB 3.47Å; C1696-Q1700 PolarHBondContact O-N 3.29Å |
| 1697 | T | 83.7 | Confident | 85.5 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 174.4 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | L1659 R1693 A1694 R1699 Q1700 E1701 | L1659-T1697 HydrophobicContact CD2-CG2 3.99Å; R1693-T1697 PolarHBondContact O-N 2.59Å; R1693-T1697 PolarHBondContact O-OG1 3.36Å; A1694-T1697 PolarHBondContact O-N 3.28Å; T1697-R1699 PolarHBondContact O-N 3.26Å; T1697-Q1700 PolarHBondContact O-N 2.92Å; T1697-E1701 PolarHBondContact O-N 3.43Å; T1697-E1701 VanDerWaalsContact O-N 3.1Å |
| 1698 | A | 88.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1607 L1659 A1694 Y1695 E1701 L1702 L1724 | F1607-A1698 HydrophobicContact CE1-CB 4.48Å; F1607-A1698 HydrophobicContact CZ-CB 4.18Å; L1659-A1698 HydrophobicContact CD1-CB 3.63Å; A1694-A1698 WeakPolarHBondContact O-CB 3.47Å; A1694-A1698 PolarHBondContact O-N 3.41Å; Y1695-A1698 PolarHBondContact O-N 2.88Å; A1698-E1701 PolarHBondContact O-N 2.76Å; A1698-L1702 HydrophobicContact CB-CD1 4.49Å; A1698-L1702 WeakPolarHBondContact O-CB 3.38Å; A1698-L1702 WeakPolarHBondContact O-CD1 3.47Å; A1698-L1702 WeakPolarHBondContact O-CG 3.48Å; A1698-L1702 PolarHBondContact O-N 2.98Å; A1698-L1724 HydrophobicContact CB-CD1 4.32Å; A1698-L1724 HydrophobicContact CB-CD2 4.17Å; A1698-L1724 HydrophobicContact CB-CG 4.47Å |
| 1699 | R | 86.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 177.5 | -82.4 | -71.8 | -174.7 | -169.9 | -4.5 | 112.6 | D1604 F1607 D1609 Y1695 C1696 T1697 E1701 L1702 N1703 | D1604-R1699 PolarHBondContact O-NH2 2.9Å; F1607-R1699 HydrophobicContact CE1-CG 4.44Å; D1609-R1699 IonicContact OD1-CZ 3.53Å; D1609-R1699 IonicContact OD1-NH1 3.55Å; D1609-R1699 IonicContact OD1-NH2 3.44Å; D1609-R1699 PolarHBondContact OD1-NH2 2.8Å; D1609-R1699 IonicContact OD2-CZ 2.79Å; D1609-R1699 IonicContact OD2-NH1 3.27Å; D1609-R1699 PolarHBondContact OD2-NH1 2.89Å; D1609-R1699 IonicContact OD2-NH2 2.77Å; D1609-R1699 PolarHBondContact OD2-NH2 3.09Å; Y1695-R1699 HydrophobicContact CD1-CG 4.38Å; Y1695-R1699 HydrophobicContact CD2-CG 4.46Å; Y1695-R1699 HydrophobicContact CE1-CG 3.92Å; Y1695-R1699 HydrophobicContact CE2-CG 3.99Å; Y1695-R1699 WeakPolarHBondContact O-CB 3.49Å; Y1695-R1699 WeakPolarHBondContact O-CG 3.24Å; Y1695-R1699 PolarHBondContact O-N 2.71Å; Y1695-R1699 PolarHBondContact OH-NE 3.48Å; C1696-R1699 PolarHBondContact O-N 3.45Å; T1697-R1699 PolarHBondContact O-N 3.26Å; R1699-E1701 PolarHBondContact O-N 3.1Å; R1699-L1702 PolarHBondContact O-N 3.35Å; R1699-N1703 WeakPolarHBondContact O-CB 3.33Å; R1699-N1703 PolarHBondContact O-N 3.24Å; R1699-N1703 PolarHBondContact O-ND2 3.27Å; R1699-N1703 PolarHBondContact O-OD1 2.74Å |
| 1700 | Q | 80.5 | Confident | 85.7 | Confident | 63 Ų | 63 | 40 Ų | 40 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -44.6 | -179.4 | -176.3 | 177.3 | -12.6 | 0 | 0 | 111.9 | C1696 T1697 S1809 | C1696-Q1700 WeakPolarHBondContact O-CB 3.47Å; C1696-Q1700 PolarHBondContact O-N 3.29Å; T1697-Q1700 PolarHBondContact O-N 2.92Å; Q1700-S1809 PolarHBondContact NE2-O 2.67Å |
| 1701 | E | 86.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 176.4 | -73 | -172.9 | -119.4 | 0 | 0 | 112 | K1657 T1697 A1698 R1699 V1704 L1705 L1726 | K1657-E1701 IonicContact NZ-OE1 3.99Å; K1657-E1701 PolarHBondContact NZ-OE1 2.86Å; K1657-E1701 IonicContact NZ-OE2 3.26Å; K1657-E1701 PolarHBondContact NZ-OE2 2.99Å; T1697-E1701 PolarHBondContact O-N 3.43Å; T1697-E1701 VanDerWaalsContact O-N 3.1Å; A1698-E1701 PolarHBondContact O-N 2.76Å; R1699-E1701 PolarHBondContact O-N 3.1Å; E1701-V1704 PolarHBondContact O-N 2.88Å; E1701-L1705 HydrophobicContact CB-CD1 4.01Å; E1701-L1705 VanDerWaalsContact O-CB 3.26Å; E1701-L1705 WeakPolarHBondContact O-CB 3Å; E1701-L1705 WeakPolarHBondContact O-CD1 3.38Å; E1701-L1705 VanDerWaalsContact O-CG 3.26Å; E1701-L1705 WeakPolarHBondContact O-CG 3.47Å; E1701-L1705 PolarHBondContact O-N 2.88Å; E1701-L1726 HydrophobicContact CB-CD1 3.86Å; E1701-L1726 HydrophobicContact CG-CD1 4.46Å |
| 1702 | L | 87 | Confident | 86.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | -179.4 | -76.2 | 163.3 | 0 | 0 | 0 | 113.2 | F1607 L1610 A1698 R1699 V1704 L1705 L1706 L1716 V1719 L1726 | F1607-L1702 HydrophobicContact CD1-CD1 4.19Å; F1607-L1702 HydrophobicContact CE1-CD1 3.88Å; L1610-L1702 HydrophobicContact CD1-CD1 4.48Å; A1698-L1702 HydrophobicContact CB-CD1 4.49Å; A1698-L1702 WeakPolarHBondContact O-CB 3.38Å; A1698-L1702 WeakPolarHBondContact O-CD1 3.47Å; A1698-L1702 WeakPolarHBondContact O-CG 3.48Å; A1698-L1702 PolarHBondContact O-N 2.98Å; R1699-L1702 PolarHBondContact O-N 3.35Å; L1702-V1704 PolarHBondContact O-N 3.07Å; L1702-V1704 VanDerWaalsContact O-N 3.15Å; L1702-L1705 PolarHBondContact O-N 3.35Å; L1702-L1706 HydrophobicContact CB-CD1 4.11Å; L1702-L1706 HydrophobicContact CD2-CD1 4.08Å; L1702-L1706 HydrophobicContact CD2-CD2 4.37Å; L1702-L1706 HydrophobicContact CD2-CG 4.14Å; L1702-L1706 WeakPolarHBondContact O-CB 3.35Å; L1702-L1706 VanDerWaalsContact O-CG 3.28Å; L1702-L1706 WeakPolarHBondContact O-CG 3.46Å; L1702-L1706 PolarHBondContact O-N 2.88Å; L1702-L1716 HydrophobicContact CD2-CD2 3.49Å; L1702-L1716 VanDerWaalsContact CD2-CD2 3.49Å; L1702-V1719 HydrophobicContact CD1-CG2 3.64Å; L1702-V1719 HydrophobicContact CD2-CG2 3.31Å; L1702-V1719 HydrophobicContact CG-CG2 4.04Å; L1702-L1726 HydrophobicContact CD1-CD2 4.29Å; L1702-L1726 HydrophobicContact CD2-CD2 4.23Å; L1702-L1726 HydrophobicContact CG-CD2 4.16Å |
| 1703 | N | 79.4 | Confident | 86.4 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -23 | -178.6 | -67.1 | -5.7 | 0 | 0 | 0 | 112.6 | E1476 R1699 | E1476-N1703 PolarHBondContact OE1-ND2 3.16Å; E1476-N1703 PolarHBondContact OE2-ND2 3.27Å; E1476-N1703 VanDerWaalsContact OE2-ND2 3.12Å; R1699-N1703 WeakPolarHBondContact O-CB 3.33Å; R1699-N1703 PolarHBondContact O-N 3.24Å; R1699-N1703 PolarHBondContact O-ND2 3.27Å; R1699-N1703 PolarHBondContact O-OD1 2.74Å |
| 1704 | V | 81.9 | Confident | 86.7 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -86.1 | -63.8 | 168.4 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | E1701 L1702 L1706 K1707 L1708 V1774 Y1806 | E1701-V1704 PolarHBondContact O-N 2.88Å; L1702-V1704 PolarHBondContact O-N 3.07Å; L1702-V1704 VanDerWaalsContact O-N 3.15Å; V1704-L1706 PolarHBondContact O-N 2.91Å; V1704-K1707 PolarHBondContact O-N 3.49Å; V1704-K1707 VanDerWaalsContact O-N 3.08Å; V1704-L1708 HydrophobicContact CG1-CD1 3.62Å; V1704-L1708 HydrophobicContact CG1-CG 4.29Å; V1704-V1774 HydrophobicContact CG1-CG1 4Å; V1704-V1774 HydrophobicContact CG2-CG1 4.47Å; V1704-Y1806 HydrophobicContact CG1-CD1 3.97Å; V1704-Y1806 HydrophobicContact CG1-CG 4.37Å |
| 1705 | L | 86.7 | Confident | 86.7 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.2 | -38.7 | -168.1 | -75.7 | 165.1 | 0 | 0 | 0 | 114.5 | E1701 L1702 K1707 L1708 L1716 F1728 Y1806 | E1701-L1705 HydrophobicContact CB-CD1 4.01Å; E1701-L1705 VanDerWaalsContact O-CB 3.26Å; E1701-L1705 WeakPolarHBondContact O-CB 3Å; E1701-L1705 WeakPolarHBondContact O-CD1 3.38Å; E1701-L1705 VanDerWaalsContact O-CG 3.26Å; E1701-L1705 WeakPolarHBondContact O-CG 3.47Å; E1701-L1705 PolarHBondContact O-N 2.88Å; L1702-L1705 PolarHBondContact O-N 3.35Å; L1705-K1707 PolarHBondContact O-N 3.42Å; L1705-K1707 VanDerWaalsContact O-N 3.13Å; L1705-L1708 PolarHBondContact O-N 2.98Å; L1705-L1716 HydrophobicContact CB-CB 4.21Å; L1705-L1716 HydrophobicContact CB-CD2 4.13Å; L1705-L1716 HydrophobicContact CD1-CB 4.41Å; L1705-L1716 HydrophobicContact CD1-CD1 4.36Å; L1705-F1728 HydrophobicContact CD1-CE1 3.53Å; L1705-F1728 HydrophobicContact CD1-CZ 3.7Å; L1705-F1728 HydrophobicContact CD2-CE1 4.09Å; L1705-F1728 HydrophobicContact CG-CE1 4.48Å; L1705-Y1806 HydrophobicContact CD2-CD2 3.59Å; L1705-Y1806 HydrophobicContact CD2-CE2 4.01Å; L1705-Y1806 HydrophobicContact CD2-CG 4.25Å; L1705-Y1806 HydrophobicContact CG-CD2 4.31Å |
| 1706 | L | 82.6 | Confident | 86.7 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.1 | -178.3 | -66.8 | 168.9 | 0 | 0 | 0 | 112.8 | L1610 Q1614 L1702 V1704 L1716 | L1610-L1706 HydrophobicContact CD2-CD1 3.63Å; Q1614-L1706 HydrophobicContact CG-CD2 4.05Å; L1702-L1706 HydrophobicContact CB-CD1 4.11Å; L1702-L1706 HydrophobicContact CD2-CD1 4.08Å; L1702-L1706 HydrophobicContact CD2-CD2 4.37Å; L1702-L1706 HydrophobicContact CD2-CG 4.14Å; L1702-L1706 WeakPolarHBondContact O-CB 3.35Å; L1702-L1706 VanDerWaalsContact O-CG 3.28Å; L1702-L1706 WeakPolarHBondContact O-CG 3.46Å; L1702-L1706 PolarHBondContact O-N 2.88Å; V1704-L1706 PolarHBondContact O-N 2.91Å; L1706-L1716 HydrophobicContact CD2-CD2 3.98Å; L1706-L1716 HydrophobicContact CG-CD2 4.44Å |
| 1707 | K | 77.7 | Confident | 86.9 | Confident | 102 Ų | 102 | 38.5 Ų | 38.5 | 44% | 0.443 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -2.9 | 175.5 | -64.2 | -163.2 | 172.7 | -156.1 | 0 | 114 | D1350 V1704 L1705 R1772 | D1350-K1707 IonicContact OD2-NZ 3.69Å; V1704-K1707 PolarHBondContact O-N 3.49Å; V1704-K1707 VanDerWaalsContact O-N 3.08Å; L1705-K1707 PolarHBondContact O-N 3.42Å; L1705-K1707 VanDerWaalsContact O-N 3.13Å; K1707-R1772 PolarHBondContact O-NE 2.84Å |
| 1708 | L | 85.5 | Confident | 87.1 | Confident | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | trans | -103.7 | 123 | -174.4 | -57.2 | -179.2 | 0 | 0 | 0 | 112.5 | V1704 L1705 I1713 Y1768 L1769 Y1806 | V1704-L1708 HydrophobicContact CG1-CD1 3.62Å; V1704-L1708 HydrophobicContact CG1-CG 4.29Å; L1705-L1708 PolarHBondContact O-N 2.98Å; L1708-I1713 HydrophobicContact CB-CD1 4.49Å; L1708-I1713 HydrophobicContact CB-CG2 4.25Å; L1708-I1713 HydrophobicContact CD1-CD1 4.27Å; L1708-I1713 HydrophobicContact CD1-CG2 4.25Å; L1708-Y1768 HydrophobicContact CB-CE1 4.39Å; L1708-Y1768 HydrophobicContact CD2-CD1 4.25Å; L1708-Y1768 HydrophobicContact CD2-CE1 3.77Å; L1708-L1769 HydrophobicContact CD1-CD2 3.64Å; L1708-L1769 HydrophobicContact CD2-CD2 3.75Å; L1708-L1769 HydrophobicContact CG-CD2 4.38Å; L1708-Y1806 HydrophobicContact CD1-CD1 4.35Å; L1708-Y1806 HydrophobicContact CD1-CE1 3.99Å | ||
| 1709 | K | 87.5 | Confident | 87.2 | Confident | 183 Ų | 183 | 37 Ų | 37 | 80% | 0.796 | 19% | 0.187 | S | C | * | . | trans | -142.2 | 92.6 | 173.5 | -64.7 | -174.4 | -178.5 | -179 | 0 | 109.2 | Y1768 | K1709-Y1768 VanDerWaalsContact C-OH 3.22Å; K1709-Y1768 WeakPolarHBondContact CA-OH 3.4Å; K1709-Y1768 PolarHBondContact N-OH 2.93Å; K1709-Y1768 WeakPolarHBondContact O-CE2 3.41Å; K1709-Y1768 VanDerWaalsContact O-CZ 3.27Å; K1709-Y1768 PolarHBondContact O-OH 3.05Å | ||
| 1710 | H | 93.3 | Very high | 87.4 | Confident | 38 Ų | 38 | 36.2 Ų | 36.2 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | trans | -145.2 | 140.3 | -177 | -176.7 | -99.6 | 0 | 0 | 0 | 109.5 | N1712 I1713 Y1768 | H1710-N1712 VanDerWaalsContact C-N 3.26Å; H1710-N1712 PolarHBondContact ND1-N 3.44Å; H1710-N1712 PolarHBondContact O-N 3.42Å; H1710-I1713 HydrophobicContact CB-CB 4.14Å; H1710-I1713 HydrophobicContact CB-CD1 3.86Å; H1710-I1713 HydrophobicContact CB-CG1 3.94Å; H1710-I1713 PolarHBondContact O-N 3.35Å; H1710-I1713 VanDerWaalsContact O-N 3.09Å; H1710-Y1768 HydrophobicContact CB-CD1 3.87Å; H1710-Y1768 HydrophobicContact CB-CD2 3.87Å; H1710-Y1768 HydrophobicContact CB-CE1 3.91Å; H1710-Y1768 HydrophobicContact CB-CE2 3.86Å; H1710-Y1768 HydrophobicContact CB-CG 3.86Å; H1710-Y1768 AromaticContact CD2-CD2 3.4Å; H1710-Y1768 WeakPolarHBondContact CD2-CD2 3.42Å; H1710-Y1768 AromaticContact CD2-CG 3.69Å; H1710-Y1768 AromaticContact CG-CD2 3.86Å; H1710-Y1768 AromaticContact CG-CG 3.83Å | ||
| 1711 | P | 92.4 | Very high | 87.7 | Confident | 92 Ų | 92 | 35.2 Ų | 35.2 | 60% | 0.597 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35.3 | -176.7 | 20.2 | -33.9 | 0 | 0 | 0 | 114.1 | K1802 | P1711-K1802 VanDerWaalsContact O-CD 3.23Å; P1711-K1802 WeakPolarHBondContact O-CD 3.19Å; P1711-K1802 WeakPolarHBondContact O-CE 3.13Å |
| 1712 | N | 94.9 | Very high | 87.5 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 23.4 | 179.9 | -51 | 101.3 | 0 | 0 | 0 | 113.9 | H1710 Q1761 A1765 V1801 K1802 L1803 | H1710-N1712 VanDerWaalsContact C-N 3.26Å; H1710-N1712 PolarHBondContact ND1-N 3.44Å; H1710-N1712 PolarHBondContact O-N 3.42Å; N1712-Q1761 HydrophobicContact CB-CB 4.41Å; N1712-Q1761 WeakPolarHBondContact CB-O 3.23Å; N1712-Q1761 WeakPolarHBondContact ND2-CB 3.42Å; N1712-Q1761 WeakPolarHBondContact ND2-CG 3.31Å; N1712-Q1761 PolarHBondContact ND2-OE1 3.07Å; N1712-A1765 HydrophobicContact CB-CB 4.17Å; N1712-V1801 PolarHBondContact ND2-O 3.04Å; N1712-K1802 CarbonylContact O-C 3.5Å; N1712-K1802 WeakPolarHBondContact O-CA 3.3Å; N1712-L1803 PolarHBondContact O-N 3.12Å |
| 1713 | I | 92.6 | Very high | 87.5 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -119.4 | 135.9 | 170.6 | -68.3 | -177.5 | 0 | 0 | 0 | 108.1 | L1708 H1710 P1715 A1765 Y1768 L1769 Y1806 | L1708-I1713 HydrophobicContact CB-CD1 4.49Å; L1708-I1713 HydrophobicContact CB-CG2 4.25Å; L1708-I1713 HydrophobicContact CD1-CD1 4.27Å; L1708-I1713 HydrophobicContact CD1-CG2 4.25Å; H1710-I1713 HydrophobicContact CB-CB 4.14Å; H1710-I1713 HydrophobicContact CB-CD1 3.86Å; H1710-I1713 HydrophobicContact CB-CG1 3.94Å; H1710-I1713 PolarHBondContact O-N 3.35Å; H1710-I1713 VanDerWaalsContact O-N 3.09Å; I1713-P1715 VanDerWaalsContact O-CD 3.27Å; I1713-P1715 WeakPolarHBondContact O-CD 3.22Å; I1713-A1765 HydrophobicContact CG1-CB 4.21Å; I1713-Y1768 HydrophobicContact CD1-CD1 3.69Å; I1713-Y1768 HydrophobicContact CD1-CE1 4.13Å; I1713-L1769 HydrophobicContact CD1-CD2 4.09Å; I1713-L1769 HydrophobicContact CD1-CG 4.08Å; I1713-Y1806 HydrophobicContact CG2-CE2 4.14Å; I1713-Y1806 WeakPolarHBondContact CG2-OH 3.46Å |
| 1714 | V | 91.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | trans | -69.4 | 115.8 | 179 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | F1728 L1785 W1787 K1802 L1803 | V1714-F1728 HydrophobicContact CG1-CB 3.95Å; V1714-F1728 HydrophobicContact CG1-CD1 4Å; V1714-F1728 HydrophobicContact CG1-CG 4.35Å; V1714-L1785 HydrophobicContact CG2-CB 4.19Å; V1714-L1785 HydrophobicContact CG2-CD1 4Å; V1714-L1785 HydrophobicContact CG2-CG 4.32Å; V1714-W1787 HydrophobicContact CG1-CH2 4.34Å; V1714-W1787 HydrophobicContact CG2-CH2 4.06Å; V1714-W1787 HydrophobicContact CG2-CZ3 4.16Å; V1714-K1802 HydrophobicContact CG2-CB 3.77Å; V1714-L1803 WeakPolarHBondContact CG2-O 3.46Å; V1714-L1803 PolarHBondContact N-O 2.96Å | ||
| 1715 | P | 87.7 | Confident | 88.5 | Confident | 58 Ų | 58 | 40 Ų | 40 | 38% | 0.377 | 21% | 0.208 | S | C | . | . | trans | -73.8 | 137.2 | -176.9 | 30.4 | -35.2 | 0 | 0 | 0 | 111.4 | I1713 C1729 | I1713-P1715 VanDerWaalsContact O-CD 3.27Å; I1713-P1715 WeakPolarHBondContact O-CD 3.22Å; P1715-C1729 HydrophobicContact CG-CB 3.96Å; P1715-C1729 PolarHBondContact O-N 2.94Å | ||
| 1716 | L | 89.9 | Confident | 88.7 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.7 | 166 | -179.5 | 74.8 | 0 | 0 | 0 | 108.9 | L1702 L1705 L1706 L1726 A1727 F1728 | L1702-L1716 HydrophobicContact CD2-CD2 3.49Å; L1702-L1716 VanDerWaalsContact CD2-CD2 3.49Å; L1705-L1716 HydrophobicContact CB-CB 4.21Å; L1705-L1716 HydrophobicContact CB-CD2 4.13Å; L1705-L1716 HydrophobicContact CD1-CB 4.41Å; L1705-L1716 HydrophobicContact CD1-CD1 4.36Å; L1706-L1716 HydrophobicContact CD2-CD2 3.98Å; L1706-L1716 HydrophobicContact CG-CD2 4.44Å; L1716-L1726 HydrophobicContact CD1-CB 4.14Å; L1716-A1727 WeakPolarHBondContact CD1-O 3.5Å; L1716-F1728 HydrophobicContact CB-CD1 4.5Å; L1716-F1728 HydrophobicContact CB-CE1 4.43Å; L1716-F1728 HydrophobicContact CD1-CD1 4.33Å; L1716-F1728 HydrophobicContact CD1-CE1 4.04Å; L1716-F1728 HydrophobicContact CD1-CZ 4.14Å |
| 1717 | I | 88.6 | Confident | 89.1 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -39.6 | 173.2 | -61.5 | 170.6 | 0 | 0 | 0 | 109.8 | I1616 L1642 V1654 A1727 | I1616-I1717 HydrophobicContact CD1-CG2 4.39Å; L1642-I1717 HydrophobicContact CD1-CG2 4.39Å; V1654-I1717 HydrophobicContact CB-CD1 4.08Å; V1654-I1717 HydrophobicContact CG1-CD1 3.39Å; I1717-A1727 HydrophobicContact CB-CB 4.43Å; I1717-A1727 WeakPolarHBondContact CB-O 3.33Å; I1717-A1727 PolarHBondContact N-O 3.45Å |
| 1718 | G | 88.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.9 | -175.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1614 A1727 | Q1614-G1718 CarbonylContact O-C 3.41Å; Q1614-G1718 WeakPolarHBondContact O-CA 3.38Å; G1718-A1727 PolarHBondContact N-O 2.9Å; G1718-A1727 PolarHBondContact O-N 3.45Å |
| 1719 | V | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129 | 179.8 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | L1610 Q1614 I1616 L1702 P1721 L1724 L1726 | L1610-V1719 HydrophobicContact CD1-CB 4.32Å; L1610-V1719 HydrophobicContact CD1-CG2 3.77Å; Q1614-V1719 PolarHBondContact O-N 2.75Å; I1616-V1719 PolarHBondContact N-O 2.92Å; L1702-V1719 HydrophobicContact CD1-CG2 3.64Å; L1702-V1719 HydrophobicContact CD2-CG2 3.31Å; L1702-V1719 HydrophobicContact CG-CG2 4.04Å; V1719-P1721 WeakPolarHBondContact O-CD 3.18Å; V1719-L1724 HydrophobicContact CG1-CD1 4.27Å; V1719-L1726 HydrophobicContact CB-CD2 4.45Å; V1719-L1726 HydrophobicContact CG1-CD2 4.27Å; V1719-L1726 HydrophobicContact CG2-CD2 3.88Å |
| 1720 | C | 90.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 112.6 | 162.6 | -165.2 | 0 | 0 | 0 | 0 | 108.4 | I1616 F1722 L1724 S1725 | I1616-C1720 HydrophobicContact CB-CB 4.34Å; I1616-C1720 PolarHBondContact O-SG 3.39Å; I1616-C1720 VanDerWaalsContact O-SG 3.33Å; C1720-F1722 VanDerWaalsContact C-N 3.27Å; C1720-F1722 PolarHBondContact O-N 3.15Å; C1720-L1724 WeakPolarHBondContact O-CA 3.32Å; C1720-S1725 PolarHBondContact N-O 2.97Å; C1720-S1725 PolarHBondContact O-N 3.33Å |
| 1721 | P | 86.3 | Confident | 89.9 | Confident | 42 Ų | 42 | 25.5 Ų | 25.5 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -25.5 | -175.3 | -23.9 | 35.4 | 0 | 0 | 0 | 114.2 | L1615 V1719 L1724 | L1615-P1721 HydrophobicContact CD2-CG 4.1Å; V1719-P1721 WeakPolarHBondContact O-CD 3.18Å; P1721-L1724 WeakPolarHBondContact O-CA 3.37Å; P1721-L1724 PolarHBondContact O-N 3.11Å |
| 1722 | F | 83.5 | Confident | 89.7 | Confident | 85 Ų | 85 | 25.2 Ų | 25.2 | 37% | 0.373 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144 | 118 | -174.2 | 179.4 | -102.9 | 0 | 0 | 0 | 112.4 | S1583 T1585 P1618 C1720 | S1583-F1722 WeakPolarHBondContact O-CD2 3.41Å; S1583-F1722 WeakPolarHBondContact O-CE2 3.33Å; T1585-F1722 HydrophobicContact CG2-CB 4.1Å; T1585-F1722 HydrophobicContact CG2-CD1 3.92Å; T1585-F1722 HydrophobicContact CG2-CD2 3.58Å; T1585-F1722 HydrophobicContact CG2-CE1 4.22Å; T1585-F1722 HydrophobicContact CG2-CE2 3.9Å; T1585-F1722 HydrophobicContact CG2-CG 3.58Å; T1585-F1722 HydrophobicContact CG2-CZ 4.21Å; P1618-F1722 VanDerWaalsContact CB-O 3.31Å; P1618-F1722 WeakPolarHBondContact CB-O 3.28Å; P1618-F1722 HydrophobicContact CG-CB 4.3Å; P1618-F1722 WeakPolarHBondContact CG-O 3.01Å; C1720-F1722 VanDerWaalsContact C-N 3.27Å; C1720-F1722 PolarHBondContact O-N 3.15Å |
| 1723 | P | 86.4 | Confident | 89.3 | Confident | 46 Ų | 46 | 28 Ų | 28 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -62.5 | 140.9 | -17.5 | 28.3 | -35.4 | 0 | 0 | 0 | 111.2 | M1658 V1662 S1725 | M1658-P1723 HydrophobicContact CE-CB 4.25Å; M1658-P1723 HydrophobicContact CE-CG 3.72Å; V1662-P1723 HydrophobicContact CG2-CB 4.43Å; P1723-S1725 PolarHBondContact O-N 3.2Å; P1723-S1725 PolarHBondContact O-OG 3.24Å |
| 1724 | L | 90.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 112.9 | -170.2 | -178.5 | 60.1 | 0 | 0 | 0 | 112 | F1607 L1659 Q1660 A1694 A1698 V1719 C1720 P1721 | F1607-L1724 HydrophobicContact CE2-CD1 3.74Å; F1607-L1724 HydrophobicContact CZ-CD1 3.89Å; L1659-L1724 HydrophobicContact CD1-CG 4.48Å; L1659-L1724 PolarHBondContact N-O 3Å; L1659-L1724 VanDerWaalsContact N-O 3.16Å; Q1660-L1724 VanDerWaalsContact CD-N 3.31Å; Q1660-L1724 HydrophobicContact CG-CB 4.09Å; Q1660-L1724 VanDerWaalsContact OE1-N 3.1Å; A1694-L1724 HydrophobicContact CB-CD2 4.13Å; A1698-L1724 HydrophobicContact CB-CD1 4.32Å; A1698-L1724 HydrophobicContact CB-CD2 4.17Å; A1698-L1724 HydrophobicContact CB-CG 4.47Å; V1719-L1724 HydrophobicContact CG1-CD1 4.27Å; C1720-L1724 WeakPolarHBondContact O-CA 3.32Å; P1721-L1724 WeakPolarHBondContact O-CA 3.37Å; P1721-L1724 PolarHBondContact O-N 3.11Å |
| 1725 | S | 91.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 152.2 | -174.4 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | K1657 C1720 P1723 | K1657-S1725 CarbonylContact O-C 3.56Å; K1657-S1725 WeakPolarHBondContact O-CA 3.38Å; K1657-S1725 VanDerWaalsContact O-CB 3.23Å; K1657-S1725 WeakPolarHBondContact O-CB 3.42Å; C1720-S1725 PolarHBondContact N-O 2.97Å; C1720-S1725 PolarHBondContact O-N 3.33Å; P1723-S1725 PolarHBondContact O-N 3.2Å; P1723-S1725 PolarHBondContact O-OG 3.24Å |
| 1726 | L | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.8 | 177.3 | -58.1 | 178.2 | 0 | 0 | 0 | 109.3 | K1657 L1659 E1701 L1702 L1716 V1719 F1728 | K1657-L1726 HydrophobicContact CB-CB 4.35Å; K1657-L1726 PolarHBondContact N-O 3.14Å; K1657-L1726 PolarHBondContact O-N 3.17Å; L1659-L1726 HydrophobicContact CD1-CG 4.44Å; E1701-L1726 HydrophobicContact CB-CD1 3.86Å; E1701-L1726 HydrophobicContact CG-CD1 4.46Å; L1702-L1726 HydrophobicContact CD1-CD2 4.29Å; L1702-L1726 HydrophobicContact CD2-CD2 4.23Å; L1702-L1726 HydrophobicContact CG-CD2 4.16Å; L1716-L1726 HydrophobicContact CD1-CB 4.14Å; V1719-L1726 HydrophobicContact CB-CD2 4.45Å; V1719-L1726 HydrophobicContact CG1-CD2 4.27Å; V1719-L1726 HydrophobicContact CG2-CD2 3.88Å; L1726-F1728 HydrophobicContact CB-CD2 4.36Å; L1726-F1728 HydrophobicContact CB-CE2 3.58Å; L1726-F1728 HydrophobicContact CB-CZ 4.11Å; L1726-F1728 HydrophobicContact CD1-CE2 4.41Å; L1726-F1728 HydrophobicContact CD1-CZ 4.28Å |
| 1727 | A | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1616 V1654 L1656 L1716 I1717 G1718 | I1616-A1727 HydrophobicContact CD1-CB 3.51Å; V1654-A1727 HydrophobicContact CB-CB 4.47Å; V1654-A1727 HydrophobicContact CG2-CB 4.25Å; L1656-A1727 HydrophobicContact CD1-CB 4.05Å; L1716-A1727 WeakPolarHBondContact CD1-O 3.5Å; I1717-A1727 HydrophobicContact CB-CB 4.43Å; I1717-A1727 WeakPolarHBondContact CB-O 3.33Å; I1717-A1727 PolarHBondContact N-O 3.45Å; G1718-A1727 PolarHBondContact N-O 2.9Å; G1718-A1727 PolarHBondContact O-N 3.45Å |
| 1728 | F | 91.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 157 | 179.3 | -62.8 | -91.3 | 0 | 0 | 0 | 110.6 | V1654 A1655 K1657 L1705 V1714 L1716 L1726 L1730 | V1654-F1728 CarbonylContact C-O 3.47Å; V1654-F1728 VanDerWaalsContact CA-O 3.27Å; V1654-F1728 WeakPolarHBondContact CA-O 3.47Å; V1654-F1728 WeakPolarHBondContact CB-O 3.37Å; A1655-F1728 PolarHBondContact N-O 3.24Å; A1655-F1728 PolarHBondContact O-N 3.48Å; K1657-F1728 HydrophobicContact CB-CD2 4.36Å; K1657-F1728 HydrophobicContact CB-CE2 4Å; K1657-F1728 HydrophobicContact CD-CE2 3.96Å; L1705-F1728 HydrophobicContact CD1-CE1 3.53Å; L1705-F1728 HydrophobicContact CD1-CZ 3.7Å; L1705-F1728 HydrophobicContact CD2-CE1 4.09Å; L1705-F1728 HydrophobicContact CG-CE1 4.48Å; V1714-F1728 HydrophobicContact CG1-CB 3.95Å; V1714-F1728 HydrophobicContact CG1-CD1 4Å; V1714-F1728 HydrophobicContact CG1-CG 4.35Å; L1716-F1728 HydrophobicContact CB-CD1 4.5Å; L1716-F1728 HydrophobicContact CB-CE1 4.43Å; L1716-F1728 HydrophobicContact CD1-CD1 4.33Å; L1716-F1728 HydrophobicContact CD1-CE1 4.04Å; L1716-F1728 HydrophobicContact CD1-CZ 4.14Å; L1726-F1728 HydrophobicContact CB-CD2 4.36Å; L1726-F1728 HydrophobicContact CB-CE2 3.58Å; L1726-F1728 HydrophobicContact CB-CZ 4.11Å; L1726-F1728 HydrophobicContact CD1-CE2 4.41Å; L1726-F1728 HydrophobicContact CD1-CZ 4.28Å; F1728-L1730 PolarHBondContact O-N 2.94Å |
| 1729 | C | 89.9 | Confident | 89.1 | Confident | 45 Ų | 45 | 32.5 Ų | 32.5 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 132.7 | 169.3 | -75.8 | 0 | 0 | 0 | 0 | 111.1 | P1715 A1731 W1787 | P1715-C1729 HydrophobicContact CG-CB 3.96Å; P1715-C1729 PolarHBondContact O-N 2.94Å; C1729-A1731 PolarHBondContact O-N 2.68Å; C1729-W1787 HydrophobicContact CB-CZ2 4.19Å |
| 1730 | L | 89.8 | Confident | 89 | Confident | 29 Ų | 29 | 32.8 Ų | 32.8 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | trans | -71.9 | 125.8 | -179.2 | -178.2 | 62.4 | 0 | 0 | 0 | 111.3 | L1627 K1637 E1653 A1655 F1728 P1732 W1787 | L1627-L1730 HydrophobicContact CD1-CD1 3.53Å; K1637-L1730 HydrophobicContact CD-CD2 3.71Å; K1637-L1730 HydrophobicContact CG-CD2 3.96Å; E1653-L1730 HydrophobicContact CB-CB 4.43Å; E1653-L1730 HydrophobicContact CB-CD2 4.05Å; E1653-L1730 WeakPolarHBondContact O-CB 3.39Å; E1653-L1730 PolarHBondContact O-N 3.42Å; A1655-L1730 HydrophobicContact CB-CD1 4.13Å; F1728-L1730 PolarHBondContact O-N 2.94Å; L1730-P1732 WeakPolarHBondContact O-CD 3.44Å; L1730-W1787 WeakPolarHBondContact O-CZ2 3.25Å; L1730-W1787 PolarHBondContact O-NE1 3.06Å | ||
| 1731 | A | 89.7 | Confident | 88.5 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | trans | -80.8 | 115.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | C1729 L1733 G1734 L1785 W1787 | C1729-A1731 PolarHBondContact O-N 2.68Å; A1731-L1733 VanDerWaalsContact C-N 3.3Å; A1731-L1733 PolarHBondContact O-N 2.9Å; A1731-G1734 PolarHBondContact O-N 3.01Å; A1731-L1785 HydrophobicContact CB-CB 3.82Å; A1731-L1785 HydrophobicContact CB-CD1 4.22Å; A1731-W1787 HydrophobicContact CB-CD2 4.38Å; A1731-W1787 HydrophobicContact CB-CE3 4.04Å; A1731-W1787 HydrophobicContact CB-CH2 3.67Å; A1731-W1787 HydrophobicContact CB-CZ2 4.04Å; A1731-W1787 HydrophobicContact CB-CZ3 3.67Å | ||
| 1732 | P | 87.3 | Confident | 88.2 | Confident | 87 Ų | 87 | 40.5 Ų | 40.5 | 57% | 0.565 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.8 | -173.1 | 25.7 | -35.6 | 0 | 0 | 0 | 113.8 | L1730 W1787 | L1730-P1732 WeakPolarHBondContact O-CD 3.44Å; P1732-W1787 HydrophobicContact CG-CG 4.43Å |
| 1733 | L | 87.7 | Confident | 88.1 | Confident | 75 Ų | 75 | 37 Ų | 37 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.8 | 179.9 | -60.1 | 177.3 | 0 | 0 | 0 | 113.4 | A1731 L1739 V1786 F1789 | A1731-L1733 VanDerWaalsContact C-N 3.3Å; A1731-L1733 PolarHBondContact O-N 2.9Å; L1733-L1739 HydrophobicContact CB-CD1 4.38Å; L1733-V1786 HydrophobicContact CB-CB 4.06Å; L1733-V1786 HydrophobicContact CB-CG1 4.08Å; L1733-V1786 HydrophobicContact CD1-CG1 4.03Å; L1733-V1786 PolarHBondContact N-O 2.81Å; L1733-F1789 HydrophobicContact CD1-CB 4.22Å |
| 1734 | G | 88.4 | Confident | 87.7 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | trans | 75.1 | -139.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1731 L1785 V1786 | A1731-G1734 PolarHBondContact O-N 3.01Å; G1734-L1785 WeakPolarHBondContact O-CA 3.4Å; G1734-V1786 PolarHBondContact O-N 3.32Å | ||
| 1735 | S | 90.3 | Very high | 86.8 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -97.8 | 147.2 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | R1737 A1738 E1782 V1784 | S1735-R1737 PolarHBondContact O-N 2.65Å; S1735-R1737 VanDerWaalsContact O-N 3.16Å; S1735-A1738 WeakPolarHBondContact O-CB 3.33Å; S1735-A1738 PolarHBondContact O-N 3.45Å; S1735-E1782 VanDerWaalsContact CB-O 3.24Å; S1735-E1782 WeakPolarHBondContact CB-O 3.17Å; S1735-V1784 CarbonylContact C-O 3.51Å; S1735-V1784 WeakPolarHBondContact CA-O 3.41Å |
| 1736 | L | 92.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.9 | -37.7 | -177.3 | 179.1 | 58.5 | 0 | 0 | 0 | 111.7 | A1738 L1739 L1740 T1758 S1781 V1784 V1786 F1789 F1853 M1857 | L1736-A1738 PolarHBondContact O-N 2.86Å; L1736-A1738 VanDerWaalsContact O-N 3.13Å; L1736-L1739 WeakPolarHBondContact O-CA 3.16Å; L1736-L1739 WeakPolarHBondContact O-CB 3.45Å; L1736-L1739 PolarHBondContact O-N 3.08Å; L1736-L1740 HydrophobicContact CD1-CD2 4.11Å; L1736-L1740 HydrophobicContact CD1-CG 4.27Å; L1736-L1740 HydrophobicContact CG-CD1 4.25Å; L1736-L1740 HydrophobicContact CG-CD2 4.33Å; L1736-L1740 HydrophobicContact CG-CG 4.09Å; L1736-L1740 WeakPolarHBondContact O-CG 3.19Å; L1736-L1740 PolarHBondContact O-N 3.08Å; L1736-T1758 HydrophobicContact CD2-CG2 3.91Å; L1736-S1781 PolarHBondContact N-O 3.01Å; L1736-V1784 HydrophobicContact CB-CB 4.14Å; L1736-V1784 HydrophobicContact CB-CG1 4.07Å; L1736-V1784 HydrophobicContact CD2-CB 4.36Å; L1736-V1784 HydrophobicContact CD2-CG1 3.99Å; L1736-V1784 PolarHBondContact N-O 3.21Å; L1736-V1786 HydrophobicContact CB-CG2 3.83Å; L1736-V1786 HydrophobicContact CD1-CG2 4.45Å; L1736-F1789 HydrophobicContact CD1-CD2 4.11Å; L1736-F1789 HydrophobicContact CD1-CE1 4.34Å; L1736-F1789 HydrophobicContact CD1-CE2 3.59Å; L1736-F1789 HydrophobicContact CD1-CZ 3.72Å; L1736-F1853 HydrophobicContact CD2-CE2 3.98Å; L1736-F1853 HydrophobicContact CD2-CZ 3.97Å; L1736-M1857 HydrophobicContact CD2-SD 4.17Å |
| 1737 | R | 89.2 | Confident | 84.5 | Confident | 85 Ų | 85 | 49.5 Ų | 49.5 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -50.2 | -36 | 174.2 | -166.5 | 163.2 | 177 | 75.4 | -3.2 | 114.8 | S1735 K1741 S1781 E1856 M1862 | S1735-R1737 PolarHBondContact O-N 2.65Å; S1735-R1737 VanDerWaalsContact O-N 3.16Å; R1737-K1741 WeakPolarHBondContact O-CB 3.4Å; R1737-K1741 PolarHBondContact O-N 2.73Å; R1737-S1781 WeakPolarHBondContact CA-OG 3.4Å; R1737-S1781 VanDerWaalsContact CB-OG 3.24Å; R1737-S1781 WeakPolarHBondContact CB-OG 3.42Å; R1737-S1781 WeakPolarHBondContact CG-OG 3.23Å; R1737-S1781 PolarHBondContact N-O 3.46Å; R1737-E1856 IonicContact CZ-OE1 2.73Å; R1737-E1856 IonicContact NH1-OE1 3.16Å; R1737-E1856 PolarHBondContact NH1-OE1 3.07Å; R1737-M1862 VanDerWaalsContact CZ-SD 3.53Å; R1737-M1862 PolarHBondContact NH1-SD 3.35Å; R1737-M1862 PolarHBondContact NH2-SD 3.1Å |
| 1738 | A | 84.9 | Confident | 83.5 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 41% | 0.405 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1735 L1736 N1742 | S1735-A1738 WeakPolarHBondContact O-CB 3.33Å; S1735-A1738 PolarHBondContact O-N 3.45Å; L1736-A1738 PolarHBondContact O-N 2.86Å; L1736-A1738 VanDerWaalsContact O-N 3.13Å; A1738-N1742 PolarHBondContact O-N 2.71Å |
| 1739 | L | 88.2 | Confident | 82.9 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.5 | -45.9 | 177.2 | -54 | 179.8 | 0 | 0 | 0 | 111.2 | L1733 L1736 K1741 N1742 Y1743 V1786 F1789 | L1733-L1739 HydrophobicContact CB-CD1 4.38Å; L1736-L1739 WeakPolarHBondContact O-CA 3.16Å; L1736-L1739 WeakPolarHBondContact O-CB 3.45Å; L1736-L1739 PolarHBondContact O-N 3.08Å; L1739-K1741 PolarHBondContact O-N 2.92Å; L1739-N1742 WeakPolarHBondContact O-CA 3.37Å; L1739-N1742 WeakPolarHBondContact O-CB 3.44Å; L1739-N1742 PolarHBondContact O-N 3.12Å; L1739-Y1743 PolarHBondContact O-N 3.35Å; L1739-V1786 HydrophobicContact CD1-CB 4.26Å; L1739-V1786 HydrophobicContact CD1-CG1 3.86Å; L1739-V1786 HydrophobicContact CD1-CG2 4.16Å; L1739-F1789 HydrophobicContact CB-CD1 4.42Å; L1739-F1789 HydrophobicContact CD1-CB 3.75Å; L1739-F1789 HydrophobicContact CD1-CD1 3.83Å; L1739-F1789 HydrophobicContact CD1-CG 3.85Å |
| 1740 | L | 87.8 | Confident | 82.6 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.4 | -39.6 | 175.3 | -59.4 | -176.6 | 0 | 0 | 0 | 111.7 | L1736 N1742 Y1743 K1744 L1750 E1856 L1860 | L1736-L1740 HydrophobicContact CD1-CD2 4.11Å; L1736-L1740 HydrophobicContact CD1-CG 4.27Å; L1736-L1740 HydrophobicContact CG-CD1 4.25Å; L1736-L1740 HydrophobicContact CG-CD2 4.33Å; L1736-L1740 HydrophobicContact CG-CG 4.09Å; L1736-L1740 WeakPolarHBondContact O-CG 3.19Å; L1736-L1740 PolarHBondContact O-N 3.08Å; L1740-N1742 VanDerWaalsContact C-N 3.31Å; L1740-N1742 PolarHBondContact O-N 2.95Å; L1740-Y1743 PolarHBondContact O-N 3.28Å; L1740-K1744 WeakPolarHBondContact O-CB 3.49Å; L1740-K1744 PolarHBondContact O-N 3.01Å; L1740-L1750 HydrophobicContact CD2-CD1 3.72Å; L1740-E1856 HydrophobicContact CD1-CG 4.25Å; L1740-L1860 HydrophobicContact CB-CD2 4.09Å; L1740-L1860 HydrophobicContact CD2-CD2 3.78Å; L1740-L1860 HydrophobicContact CG-CD2 4.43Å |
| 1741 | K | 81.3 | Confident | 82.2 | Confident | 126 Ų | 126 | 52.2 Ų | 52.2 | 55% | 0.548 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -30.4 | 175.3 | -173.9 | 171.2 | -177.7 | 174.4 | 0 | 113.2 | R1737 L1739 R1745 | R1737-K1741 WeakPolarHBondContact O-CB 3.4Å; R1737-K1741 PolarHBondContact O-N 2.73Å; L1739-K1741 PolarHBondContact O-N 2.92Å; K1741-R1745 WeakPolarHBondContact O-CD 3.28Å; K1741-R1745 VanDerWaalsContact O-CG 3.28Å; K1741-R1745 WeakPolarHBondContact O-CG 3.26Å; K1741-R1745 PolarHBondContact O-N 2.9Å |
| 1742 | N | 78.3 | Confident | 81.7 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.4 | -44.4 | 174.3 | -72.2 | -10.9 | 0 | 0 | 0 | 111.2 | A1738 L1739 L1740 K1744 R1745 S1746 | A1738-N1742 PolarHBondContact O-N 2.71Å; L1739-N1742 WeakPolarHBondContact O-CA 3.37Å; L1739-N1742 WeakPolarHBondContact O-CB 3.44Å; L1739-N1742 PolarHBondContact O-N 3.12Å; L1740-N1742 VanDerWaalsContact C-N 3.31Å; L1740-N1742 PolarHBondContact O-N 2.95Å; N1742-K1744 VanDerWaalsContact C-N 3.32Å; N1742-K1744 PolarHBondContact O-N 2.94Å; N1742-R1745 WeakPolarHBondContact O-CA 3.46Å; N1742-R1745 WeakPolarHBondContact O-CB 3.44Å; N1742-R1745 PolarHBondContact O-N 3.29Å; N1742-S1746 PolarHBondContact O-N 3.49Å; N1742-S1746 PolarHBondContact O-OG 3.31Å |
| 1743 | Y | 82.5 | Confident | 81.6 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53 | -47.8 | 171.8 | -92.3 | -100.1 | 0 | 0 | 0 | 112 | L1739 L1740 R1745 S1746 G1747 A1748 S1749 L1750 F1789 P1790 P1791 P1792 | L1739-Y1743 PolarHBondContact O-N 3.35Å; L1740-Y1743 PolarHBondContact O-N 3.28Å; Y1743-R1745 PolarHBondContact O-N 2.98Å; Y1743-S1746 PolarHBondContact O-N 3.04Å; Y1743-S1746 PolarHBondContact O-OG 3.26Å; Y1743-S1746 VanDerWaalsContact O-OG 3.11Å; Y1743-G1747 PolarHBondContact O-N 2.94Å; Y1743-G1747 VanDerWaalsContact O-N 3.11Å; Y1743-A1748 HydrophobicContact CD1-CB 3.67Å; Y1743-A1748 WeakPolarHBondContact CD1-O 3.4Å; Y1743-A1748 HydrophobicContact CE1-CB 4.1Å; Y1743-A1748 HydrophobicContact CG-CB 4.49Å; Y1743-A1748 PolarHBondContact O-N 3.43Å; Y1743-A1748 VanDerWaalsContact O-N 3.1Å; Y1743-S1749 WeakPolarHBondContact CE1-O 3.45Å; Y1743-L1750 HydrophobicContact CD1-CD2 3.87Å; Y1743-L1750 HydrophobicContact CD2-CD2 4.37Å; Y1743-L1750 HydrophobicContact CE1-CD2 3.63Å; Y1743-L1750 HydrophobicContact CE2-CD2 4.14Å; Y1743-L1750 HydrophobicContact CG-CD2 4.24Å; Y1743-F1789 HydrophobicContact CE2-CD1 4.27Å; Y1743-F1789 AromaticContact CE2-CE1 3.85Å; Y1743-F1789 HydrophobicContact CE2-CE1 3.85Å; Y1743-P1790 PolarHBondContact OH-O 2.94Å; Y1743-P1791 PolarHBondContact OH-O 3.5Å; Y1743-P1792 HydrophobicContact CD1-CG 4.46Å; Y1743-P1792 HydrophobicContact CD2-CG 3.91Å; Y1743-P1792 HydrophobicContact CE1-CB 4.47Å; Y1743-P1792 HydrophobicContact CE1-CG 4.48Å; Y1743-P1792 HydrophobicContact CE2-CG 3.95Å; Y1743-P1792 HydrophobicContact CG-CG 4.17Å |
| 1744 | K | 78.6 | Confident | 81.7 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -29.6 | 176.1 | -167.3 | -177.9 | -163.4 | 161 | 0 | 113.4 | L1740 N1742 L1860 E1865 | L1740-K1744 WeakPolarHBondContact O-CB 3.49Å; L1740-K1744 PolarHBondContact O-N 3.01Å; N1742-K1744 VanDerWaalsContact C-N 3.32Å; N1742-K1744 PolarHBondContact O-N 2.94Å; K1744-L1860 HydrophobicContact CB-CB 4.1Å; K1744-L1860 HydrophobicContact CB-CD1 4.21Å; K1744-L1860 HydrophobicContact CD-CB 4.48Å; K1744-L1860 VanDerWaalsContact CD-O 3.3Å; K1744-L1860 WeakPolarHBondContact CD-O 3.31Å; K1744-L1860 WeakPolarHBondContact CE-O 3.32Å; K1744-L1860 HydrophobicContact CG-CB 4.32Å; K1744-L1860 PolarHBondContact NZ-O 3.38Å; K1744-E1865 IonicContact NZ-OE1 3.66Å; K1744-E1865 IonicContact NZ-OE2 2.63Å |
| 1745 | R | 70.3 | Confident | 81.8 | Confident | 180 Ų | 180 | 51.1 Ų | 51.1 | 68% | 0.679 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -83 | -32.6 | 178.1 | -79 | 167.2 | 153.3 | -169.7 | -15.6 | 113.1 | K1741 N1742 Y1743 G1747 | K1741-R1745 WeakPolarHBondContact O-CD 3.28Å; K1741-R1745 VanDerWaalsContact O-CG 3.28Å; K1741-R1745 WeakPolarHBondContact O-CG 3.26Å; K1741-R1745 PolarHBondContact O-N 2.9Å; N1742-R1745 WeakPolarHBondContact O-CA 3.46Å; N1742-R1745 WeakPolarHBondContact O-CB 3.44Å; N1742-R1745 PolarHBondContact O-N 3.29Å; Y1743-R1745 PolarHBondContact O-N 2.98Å; R1745-G1747 VanDerWaalsContact C-N 3.33Å |
| 1746 | S | 68.9 | Low | 81.8 | Confident | 27 Ų | 27 | 51 Ų | 51 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -83.6 | -6.9 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | N1742 Y1743 A1748 P1792 F1793 | N1742-S1746 PolarHBondContact O-N 3.49Å; N1742-S1746 PolarHBondContact O-OG 3.31Å; Y1743-S1746 PolarHBondContact O-N 3.04Å; Y1743-S1746 PolarHBondContact O-OG 3.26Å; Y1743-S1746 VanDerWaalsContact O-OG 3.11Å; S1746-A1748 VanDerWaalsContact C-N 3.29Å; S1746-P1792 WeakPolarHBondContact OG-CB 3.37Å; S1746-F1793 WeakPolarHBondContact O-CZ 3.47Å |
| 1747 | G | 66.3 | Low | 81.8 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 24.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1743 R1745 | Y1743-G1747 PolarHBondContact O-N 2.94Å; Y1743-G1747 VanDerWaalsContact O-N 3.11Å; R1745-G1747 VanDerWaalsContact C-N 3.33Å |
| 1748 | A | 71 | Confident | 82.1 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 136.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y1743 S1746 P1792 F1793 | Y1743-A1748 HydrophobicContact CD1-CB 3.67Å; Y1743-A1748 WeakPolarHBondContact CD1-O 3.4Å; Y1743-A1748 HydrophobicContact CE1-CB 4.1Å; Y1743-A1748 HydrophobicContact CG-CB 4.49Å; Y1743-A1748 PolarHBondContact O-N 3.43Å; Y1743-A1748 VanDerWaalsContact O-N 3.1Å; S1746-A1748 VanDerWaalsContact C-N 3.29Å; A1748-P1792 HydrophobicContact CB-CB 3.85Å; A1748-F1793 HydrophobicContact CB-CD1 4.24Å; A1748-F1793 HydrophobicContact CB-CE1 3.89Å; A1748-F1793 HydrophobicContact CB-CE2 4.41Å; A1748-F1793 HydrophobicContact CB-CZ 3.99Å |
| 1749 | S | 77.9 | Confident | 82.5 | Confident | 68 Ų | 68 | 48 Ų | 48 | 48% | 0.476 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -85.7 | 163.6 | 169.5 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | Y1743 | Y1743-S1749 WeakPolarHBondContact CE1-O 3.45Š|
| 1750 | L | 83.6 | Confident | 82.8 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -88.9 | 132 | 167.5 | -69 | -179.2 | 0 | 0 | 0 | 110.3 | L1740 Y1743 V1754 I1755 F1789 M1857 L1860 | L1740-L1750 HydrophobicContact CD2-CD1 3.72Å; Y1743-L1750 HydrophobicContact CD1-CD2 3.87Å; Y1743-L1750 HydrophobicContact CD2-CD2 4.37Å; Y1743-L1750 HydrophobicContact CE1-CD2 3.63Å; Y1743-L1750 HydrophobicContact CE2-CD2 4.14Å; Y1743-L1750 HydrophobicContact CG-CD2 4.24Å; L1750-V1754 HydrophobicContact CD2-CG1 4.21Å; L1750-I1755 HydrophobicContact CB-CD1 4.09Å; L1750-I1755 HydrophobicContact CB-CG1 3.93Å; L1750-I1755 HydrophobicContact CD1-CG1 4.27Å; L1750-F1789 HydrophobicContact CD1-CZ 4.3Å; L1750-F1789 HydrophobicContact CD2-CE1 3.78Å; L1750-F1789 HydrophobicContact CD2-CZ 3.72Å; L1750-M1857 HydrophobicContact CD1-CB 4.47Å; L1750-L1860 HydrophobicContact CD1-CD2 4.45Å; L1750-L1860 HydrophobicContact CG-CD2 4.42Å |
| 1751 | N | 80.8 | Confident | 83.2 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 140.4 | 168.8 | -175.2 | -61 | 0 | 0 | 0 | 110.1 | T1753 V1754 I1755 | N1751-T1753 PolarHBondContact O-N 3.49Å; N1751-T1753 WeakPolarHBondContact OD1-CB 3.41Å; N1751-T1753 PolarHBondContact OD1-N 2.68Å; N1751-T1753 PolarHBondContact OD1-OG1 2.99Å; N1751-V1754 HydrophobicContact CB-CG2 4.33Å; N1751-V1754 WeakPolarHBondContact O-CB 3.21Å; N1751-V1754 PolarHBondContact O-N 3.15Å; N1751-I1755 PolarHBondContact O-N 3.24Å; N1751-I1755 VanDerWaalsContact O-N 3.14Å |
| 1752 | W | 80.8 | Confident | 84 | Confident | 127 Ų | 127 | 40.9 Ų | 40.9 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58 | -28.8 | -179.6 | 41 | 84 | 0 | 0 | 0 | 114 | I1755 Q1756 | W1752-I1755 PolarHBondContact O-N 3.36Å; W1752-Q1756 WeakPolarHBondContact O-CB 3.42Å; W1752-Q1756 PolarHBondContact O-N 3.11Å |
| 1753 | T | 83.8 | Confident | 84.8 | Confident | 46 Ų | 46 | 37 Ų | 37 | 28% | 0.282 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 172.8 | 58 | 0 | 0 | 0 | 0 | 112.7 | N1751 Q1756 E1757 T1797 | N1751-T1753 PolarHBondContact O-N 3.49Å; N1751-T1753 WeakPolarHBondContact OD1-CB 3.41Å; N1751-T1753 PolarHBondContact OD1-N 2.68Å; N1751-T1753 PolarHBondContact OD1-OG1 2.99Å; T1753-Q1756 PolarHBondContact O-N 3.02Å; T1753-E1757 PolarHBondContact O-N 3.31Å; T1753-T1797 WeakPolarHBondContact OG1-CG2 3.31Å |
| 1754 | V | 90 | Very high | 85.5 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.4 | -38.8 | 176.1 | 176 | 0 | 0 | 0 | 0 | 110.3 | L1750 N1751 T1758 F1789 P1790 V1799 | L1750-V1754 HydrophobicContact CD2-CG1 4.21Å; N1751-V1754 HydrophobicContact CB-CG2 4.33Å; N1751-V1754 WeakPolarHBondContact O-CB 3.21Å; N1751-V1754 PolarHBondContact O-N 3.15Å; V1754-T1758 VanDerWaalsContact O-CB 3.32Å; V1754-T1758 WeakPolarHBondContact O-CB 3.45Å; V1754-T1758 PolarHBondContact O-N 3.22Å; V1754-T1758 VanDerWaalsContact O-N 3.14Å; V1754-T1758 PolarHBondContact O-OG1 3.03Å; V1754-F1789 HydrophobicContact CG1-CD2 4.43Å; V1754-F1789 HydrophobicContact CG1-CE1 4.3Å; V1754-F1789 HydrophobicContact CG1-CE2 3.65Å; V1754-F1789 HydrophobicContact CG1-CZ 3.57Å; V1754-P1790 HydrophobicContact CG1-CG 4.23Å; V1754-P1790 HydrophobicContact CG2-CG 3.82Å; V1754-V1799 HydrophobicContact CB-CG2 4.4Å; V1754-V1799 HydrophobicContact CG1-CG2 3.82Å |
| 1755 | I | 90.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 171.3 | -69.1 | 174.8 | 0 | 0 | 0 | 110.4 | L1750 N1751 W1752 A1759 M1857 Y1889 F1893 F1923 | L1750-I1755 HydrophobicContact CB-CD1 4.09Å; L1750-I1755 HydrophobicContact CB-CG1 3.93Å; L1750-I1755 HydrophobicContact CD1-CG1 4.27Å; N1751-I1755 PolarHBondContact O-N 3.24Å; N1751-I1755 VanDerWaalsContact O-N 3.14Å; W1752-I1755 PolarHBondContact O-N 3.36Å; I1755-A1759 VanDerWaalsContact O-CB 3.24Å; I1755-A1759 WeakPolarHBondContact O-CB 3.39Å; I1755-A1759 PolarHBondContact O-N 2.89Å; I1755-M1857 HydrophobicContact CB-CE 4.5Å; I1755-M1857 HydrophobicContact CG2-CE 4.03Å; I1755-Y1889 HydrophobicContact CD1-CE1 3.82Å; I1755-F1893 HydrophobicContact CG2-CD2 4.25Å; I1755-F1893 HydrophobicContact CG2-CE2 3.81Å; I1755-F1893 HydrophobicContact CG2-CZ 4.46Å; I1755-F1923 HydrophobicContact CG2-CE1 4.28Å; I1755-F1923 HydrophobicContact CG2-CZ 4.46Å |
| 1756 | Q | 90.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 26.6 Ų | 26.6 | 15% | 0.145 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | -178.8 | -174.4 | 173 | 13.8 | 0 | 0 | 112.1 | W1752 T1753 T1758 A1759 S1760 T1918 A1920 F1923 S1924 | W1752-Q1756 WeakPolarHBondContact O-CB 3.42Å; W1752-Q1756 PolarHBondContact O-N 3.11Å; T1753-Q1756 PolarHBondContact O-N 3.02Å; Q1756-T1758 PolarHBondContact O-N 3.38Å; Q1756-A1759 PolarHBondContact O-N 3.01Å; Q1756-S1760 WeakPolarHBondContact O-CB 3.35Å; Q1756-S1760 PolarHBondContact O-N 3.42Å; Q1756-T1918 VanDerWaalsContact CG-O 3.26Å; Q1756-T1918 WeakPolarHBondContact CG-O 3.29Å; Q1756-T1918 PolarHBondContact NE2-O 3.1Å; Q1756-A1920 PolarHBondContact NE2-O 3.03Å; Q1756-F1923 HydrophobicContact CB-CD1 3.62Å; Q1756-F1923 HydrophobicContact CB-CE1 3.63Å; Q1756-F1923 HydrophobicContact CG-CD1 3.51Å; Q1756-F1923 HydrophobicContact CG-CE1 3.91Å; Q1756-F1923 HydrophobicContact CG-CG 4.18Å; Q1756-S1924 VanDerWaalsContact OE1-CB 3.26Å; Q1756-S1924 PolarHBondContact OE1-OG 3.16Å |
| 1757 | E | 92.3 | Very high | 88.8 | Confident | 70 Ų | 70 | 27.3 Ų | 27.3 | 33% | 0.327 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -70.1 | -36.1 | -176.6 | -173.7 | 52 | -158.8 | 0 | 0 | 111.9 | T1753 A1759 S1760 Q1761 V1799 | T1753-E1757 PolarHBondContact O-N 3.31Å; E1757-A1759 PolarHBondContact O-N 3.11Å; E1757-S1760 PolarHBondContact O-N 3.42Å; E1757-S1760 PolarHBondContact OE2-OG 3.46Å; E1757-S1760 VanDerWaalsContact OE2-OG 3.13Å; E1757-Q1761 WeakPolarHBondContact O-CB 3.47Å; E1757-Q1761 VanDerWaalsContact O-CG 3.31Å; E1757-Q1761 WeakPolarHBondContact O-CG 3.42Å; E1757-Q1761 PolarHBondContact O-N 3.34Å; E1757-Q1761 VanDerWaalsContact O-N 3.08Å; E1757-Q1761 WeakPolarHBondContact OE1-CG 3.5Å; E1757-Q1761 PolarHBondContact OE1-NE2 3.44Å; E1757-V1799 HydrophobicContact CB-CB 4.45Å; E1757-V1799 HydrophobicContact CG-CB 4.21Å |
| 1758 | T | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 170.1 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | L1736 V1754 Q1756 I1762 V1801 F1853 M1857 | L1736-T1758 HydrophobicContact CD2-CG2 3.91Å; V1754-T1758 VanDerWaalsContact O-CB 3.32Å; V1754-T1758 WeakPolarHBondContact O-CB 3.45Å; V1754-T1758 PolarHBondContact O-N 3.22Å; V1754-T1758 VanDerWaalsContact O-N 3.14Å; V1754-T1758 PolarHBondContact O-OG1 3.03Å; Q1756-T1758 PolarHBondContact O-N 3.38Å; T1758-I1762 WeakPolarHBondContact O-CG1 3.45Å; T1758-I1762 PolarHBondContact O-N 3.02Å; T1758-V1801 HydrophobicContact CG2-CG1 4.36Å; T1758-V1801 HydrophobicContact CG2-CG2 4.1Å; T1758-F1853 HydrophobicContact CG2-CE1 4.4Å; T1758-F1853 HydrophobicContact CG2-CZ 3.96Å; T1758-M1857 HydrophobicContact CG2-CE 4.23Å; T1758-M1857 HydrophobicContact CG2-SD 3.49Å; T1758-M1857 WeakPolarHBondContact CG2-SD 3.22Å |
| 1759 | A | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1755 Q1756 E1757 I1762 A1763 F1850 L1854 M1857 T1918 F1923 | I1755-A1759 VanDerWaalsContact O-CB 3.24Å; I1755-A1759 WeakPolarHBondContact O-CB 3.39Å; I1755-A1759 PolarHBondContact O-N 2.89Å; Q1756-A1759 PolarHBondContact O-N 3.01Å; E1757-A1759 PolarHBondContact O-N 3.11Å; A1759-I1762 PolarHBondContact O-N 3.22Å; A1759-A1763 WeakPolarHBondContact O-CB 3.46Å; A1759-A1763 PolarHBondContact O-N 3.31Å; A1759-F1850 HydrophobicContact CB-CZ 4.11Å; A1759-L1854 HydrophobicContact CB-CD2 3.84Å; A1759-M1857 HydrophobicContact CB-CE 4.45Å; A1759-T1918 HydrophobicContact CB-CG2 4Å; A1759-F1923 HydrophobicContact CB-CZ 4.25Å |
| 1760 | S | 94 | Very high | 91.7 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | -179 | 102.8 | 0 | 0 | 0 | 0 | 111.7 | Q1756 E1757 I1762 A1763 K1764 | Q1756-S1760 WeakPolarHBondContact O-CB 3.35Å; Q1756-S1760 PolarHBondContact O-N 3.42Å; E1757-S1760 PolarHBondContact O-N 3.42Å; E1757-S1760 PolarHBondContact OE2-OG 3.46Å; E1757-S1760 VanDerWaalsContact OE2-OG 3.13Å; S1760-I1762 PolarHBondContact O-N 3.18Å; S1760-A1763 PolarHBondContact O-N 3.02Å; S1760-K1764 WeakPolarHBondContact O-CB 3.18Å; S1760-K1764 VanDerWaalsContact O-CD 3.26Å; S1760-K1764 WeakPolarHBondContact O-CD 3.45Å; S1760-K1764 WeakPolarHBondContact O-CG 3.44Å; S1760-K1764 PolarHBondContact O-N 2.98Å; S1760-K1764 PolarHBondContact OG-NZ 2.86Å |
| 1761 | Q | 96.5 | Very high | 91.8 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.6 | -74.3 | -174.7 | 26.6 | 0 | 0 | 112.5 | N1712 E1757 A1765 V1799 V1801 | N1712-Q1761 HydrophobicContact CB-CB 4.41Å; N1712-Q1761 WeakPolarHBondContact CB-O 3.23Å; N1712-Q1761 WeakPolarHBondContact ND2-CB 3.42Å; N1712-Q1761 WeakPolarHBondContact ND2-CG 3.31Å; N1712-Q1761 PolarHBondContact ND2-OE1 3.07Å; E1757-Q1761 WeakPolarHBondContact O-CB 3.47Å; E1757-Q1761 VanDerWaalsContact O-CG 3.31Å; E1757-Q1761 WeakPolarHBondContact O-CG 3.42Å; E1757-Q1761 PolarHBondContact O-N 3.34Å; E1757-Q1761 VanDerWaalsContact O-N 3.08Å; E1757-Q1761 WeakPolarHBondContact OE1-CG 3.5Å; E1757-Q1761 PolarHBondContact OE1-NE2 3.44Å; Q1761-A1765 PolarHBondContact O-N 2.94Å; Q1761-V1799 PolarHBondContact NE2-O 3.22Å; Q1761-V1801 HydrophobicContact CB-CG2 3.74Å; Q1761-V1801 PolarHBondContact OE1-O 3.37Å |
| 1762 | I | 97 | Very high | 92 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74.5 | -38.2 | 175.8 | -63.4 | -56.8 | 0 | 0 | 0 | 112 | T1758 A1759 S1760 K1764 A1765 L1766 L1779 V1784 V1801 L1803 F1850 F1853 | T1758-I1762 WeakPolarHBondContact O-CG1 3.45Å; T1758-I1762 PolarHBondContact O-N 3.02Å; A1759-I1762 PolarHBondContact O-N 3.22Å; S1760-I1762 PolarHBondContact O-N 3.18Å; I1762-K1764 PolarHBondContact O-N 3.05Å; I1762-A1765 PolarHBondContact O-N 3.32Å; I1762-L1766 PolarHBondContact O-N 3.22Å; I1762-L1779 HydrophobicContact CG2-CD1 3.78Å; I1762-L1779 HydrophobicContact CG2-CD2 3.81Å; I1762-L1779 HydrophobicContact CG2-CG 4.49Å; I1762-V1784 HydrophobicContact CD1-CG1 4.07Å; I1762-V1784 HydrophobicContact CD1-CG2 3.81Å; I1762-V1784 HydrophobicContact CG1-CG2 4.28Å; I1762-V1801 HydrophobicContact CD1-CG2 4.32Å; I1762-V1801 HydrophobicContact CG1-CG2 4.41Å; I1762-L1803 HydrophobicContact CD1-CB 4.46Å; I1762-L1803 HydrophobicContact CD1-CD1 4.44Å; I1762-F1850 HydrophobicContact CB-CE2 4.26Å; I1762-F1850 HydrophobicContact CG2-CD2 4.08Å; I1762-F1850 HydrophobicContact CG2-CE2 3.97Å; I1762-F1853 HydrophobicContact CB-CE1 4.42Å; I1762-F1853 HydrophobicContact CG1-CE1 4.12Å; I1762-F1853 HydrophobicContact CG1-CZ 4.32Å; I1762-F1853 HydrophobicContact CG2-CE1 4.46Å |
| 1763 | A | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1759 S1760 A1765 L1766 E1767 F1850 L1914 V1915 | A1759-A1763 WeakPolarHBondContact O-CB 3.46Å; A1759-A1763 PolarHBondContact O-N 3.31Å; S1760-A1763 PolarHBondContact O-N 3.02Å; A1763-A1765 VanDerWaalsContact C-N 3.33Å; A1763-A1765 PolarHBondContact O-N 3.39Å; A1763-L1766 PolarHBondContact O-N 2.9Å; A1763-E1767 PolarHBondContact O-N 3.12Å; A1763-F1850 HydrophobicContact CB-CE2 4.14Å; A1763-F1850 HydrophobicContact CB-CZ 4.17Å; A1763-L1914 HydrophobicContact CB-CB 4.09Å; A1763-V1915 HydrophobicContact CB-CG2 3.9Å |
| 1764 | K | 97.1 | Very high | 92 | Very high | 62 Ų | 62 | 28.6 Ų | 28.6 | 27% | 0.27 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 174.9 | -68.6 | 158.1 | -172.2 | 160 | 0 | 111.7 | S1760 I1762 E1767 Y1768 V1915 | S1760-K1764 WeakPolarHBondContact O-CB 3.18Å; S1760-K1764 VanDerWaalsContact O-CD 3.26Å; S1760-K1764 WeakPolarHBondContact O-CD 3.45Å; S1760-K1764 WeakPolarHBondContact O-CG 3.44Å; S1760-K1764 PolarHBondContact O-N 2.98Å; S1760-K1764 PolarHBondContact OG-NZ 2.86Å; I1762-K1764 PolarHBondContact O-N 3.05Å; K1764-E1767 PolarHBondContact O-N 3.45Å; K1764-Y1768 WeakPolarHBondContact O-CB 3.37Å; K1764-Y1768 PolarHBondContact O-N 3.1Å; K1764-V1915 HydrophobicContact CG-CG1 4.13Å; K1764-V1915 HydrophobicContact CG-CG2 4.15Å |
| 1765 | A | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1712 I1713 Q1761 I1762 A1763 L1769 L1803 | N1712-A1765 HydrophobicContact CB-CB 4.17Å; I1713-A1765 HydrophobicContact CG1-CB 4.21Å; Q1761-A1765 PolarHBondContact O-N 2.94Å; I1762-A1765 PolarHBondContact O-N 3.32Å; A1763-A1765 VanDerWaalsContact C-N 3.33Å; A1763-A1765 PolarHBondContact O-N 3.39Å; A1765-L1769 WeakPolarHBondContact O-CD1 3.39Å; A1765-L1769 VanDerWaalsContact O-CG 3.26Å; A1765-L1769 WeakPolarHBondContact O-CG 3.41Å; A1765-L1769 PolarHBondContact O-N 2.97Å; A1765-L1769 VanDerWaalsContact O-N 3.17Å; A1765-L1803 HydrophobicContact CB-CB 4.41Å |
| 1766 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.9 | -71.3 | -176.8 | 0 | 0 | 0 | 112 | I1762 A1763 Y1768 L1769 H1770 L1779 D1846 F1850 | I1762-L1766 PolarHBondContact O-N 3.22Å; A1763-L1766 PolarHBondContact O-N 2.9Å; L1766-Y1768 PolarHBondContact O-N 3.03Å; L1766-L1769 PolarHBondContact O-N 3.08Å; L1766-H1770 WeakPolarHBondContact O-CB 3.41Å; L1766-H1770 PolarHBondContact O-CD2 3.18Å; L1766-H1770 VanDerWaalsContact O-CD2 3.3Å; L1766-H1770 PolarHBondContact O-N 2.97Å; L1766-L1779 HydrophobicContact CD1-CD2 3.99Å; L1766-D1846 HydrophobicContact CD1-CB 4.37Å; L1766-D1846 HydrophobicContact CD2-CB 4.04Å; L1766-F1850 HydrophobicContact CD1-CB 4.39Å; L1766-F1850 HydrophobicContact CD1-CD2 3.95Å |
| 1767 | E | 95.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 20% | 0.201 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 176 | 174.5 | 170.4 | -133.4 | 0 | 0 | 111.4 | A1763 K1764 L1769 H1770 Q1771 S1912 V1915 | A1763-E1767 PolarHBondContact O-N 3.12Å; K1764-E1767 PolarHBondContact O-N 3.45Å; E1767-L1769 PolarHBondContact O-N 2.93Å; E1767-H1770 PolarHBondContact O-N 2.81Å; E1767-H1770 VanDerWaalsContact O-N 3.15Å; E1767-Q1771 VanDerWaalsContact CD-NE2 3.29Å; E1767-Q1771 HydrophobicContact CG-CG 4.08Å; E1767-Q1771 WeakPolarHBondContact O-CB 3.47Å; E1767-Q1771 VanDerWaalsContact O-CG 3.31Å; E1767-Q1771 WeakPolarHBondContact O-CG 3.25Å; E1767-Q1771 PolarHBondContact O-N 2.57Å; E1767-Q1771 PolarHBondContact OE1-NE2 2.86Å; E1767-Q1771 VanDerWaalsContact OE1-NE2 3.16Å; E1767-S1912 WeakPolarHBondContact OE1-CA 3.12Å; E1767-S1912 WeakPolarHBondContact OE1-CB 3.27Å; E1767-S1912 PolarHBondContact OE1-OG 3.22Å; E1767-V1915 HydrophobicContact CB-CG2 4.09Å |
| 1768 | Y | 94.4 | Very high | 91.4 | Very high | 29 Ų | 29 | 25 Ų | 25 | 11% | 0.114 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57 | -36.8 | 178.8 | -178.5 | -84.4 | 0 | 0 | 0 | 113.1 | L1708 K1709 H1710 I1713 K1764 L1766 R1772 | L1708-Y1768 HydrophobicContact CB-CE1 4.39Å; L1708-Y1768 HydrophobicContact CD2-CD1 4.25Å; L1708-Y1768 HydrophobicContact CD2-CE1 3.77Å; K1709-Y1768 VanDerWaalsContact C-OH 3.22Å; K1709-Y1768 WeakPolarHBondContact CA-OH 3.4Å; K1709-Y1768 PolarHBondContact N-OH 2.93Å; K1709-Y1768 WeakPolarHBondContact O-CE2 3.41Å; K1709-Y1768 VanDerWaalsContact O-CZ 3.27Å; K1709-Y1768 PolarHBondContact O-OH 3.05Å; H1710-Y1768 HydrophobicContact CB-CD1 3.87Å; H1710-Y1768 HydrophobicContact CB-CD2 3.87Å; H1710-Y1768 HydrophobicContact CB-CE1 3.91Å; H1710-Y1768 HydrophobicContact CB-CE2 3.86Å; H1710-Y1768 HydrophobicContact CB-CG 3.86Å; H1710-Y1768 AromaticContact CD2-CD2 3.4Å; H1710-Y1768 WeakPolarHBondContact CD2-CD2 3.42Å; H1710-Y1768 AromaticContact CD2-CG 3.69Å; H1710-Y1768 AromaticContact CG-CD2 3.86Å; H1710-Y1768 AromaticContact CG-CG 3.83Å; I1713-Y1768 HydrophobicContact CD1-CD1 3.69Å; I1713-Y1768 HydrophobicContact CD1-CE1 4.13Å; K1764-Y1768 WeakPolarHBondContact O-CB 3.37Å; K1764-Y1768 PolarHBondContact O-N 3.1Å; L1766-Y1768 PolarHBondContact O-N 3.03Å; Y1768-R1772 VanDerWaalsContact CZ-NH1 3.26Å; Y1768-R1772 PolarHBondContact O-N 2.95Å; Y1768-R1772 PolarHBondContact OH-NE 3.22Å; Y1768-R1772 PolarHBondContact OH-NH2 3.2Å |
| 1769 | L | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.8 | -49.3 | 175.3 | -71 | 165 | 0 | 0 | 0 | 111.2 | L1708 I1713 A1765 L1766 E1767 Q1771 R1772 H1773 V1774 Y1776 L1803 Y1806 | L1708-L1769 HydrophobicContact CD1-CD2 3.64Å; L1708-L1769 HydrophobicContact CD2-CD2 3.75Å; L1708-L1769 HydrophobicContact CG-CD2 4.38Å; I1713-L1769 HydrophobicContact CD1-CD2 4.09Å; I1713-L1769 HydrophobicContact CD1-CG 4.08Å; A1765-L1769 WeakPolarHBondContact O-CD1 3.39Å; A1765-L1769 VanDerWaalsContact O-CG 3.26Å; A1765-L1769 WeakPolarHBondContact O-CG 3.41Å; A1765-L1769 PolarHBondContact O-N 2.97Å; A1765-L1769 VanDerWaalsContact O-N 3.17Å; L1766-L1769 PolarHBondContact O-N 3.08Å; E1767-L1769 PolarHBondContact O-N 2.93Å; L1769-Q1771 VanDerWaalsContact C-N 3.34Å; L1769-Q1771 PolarHBondContact O-N 3.45Å; L1769-R1772 CarbonylContact O-C 3.49Å; L1769-R1772 WeakPolarHBondContact O-CA 3.26Å; L1769-R1772 PolarHBondContact O-N 3.4Å; L1769-H1773 PolarHBondContact O-N 3.1Å; L1769-V1774 CarbonylContact C-O 2.91Å; L1769-V1774 HydrophobicContact CB-CB 4.26Å; L1769-V1774 HydrophobicContact CD2-CB 4.06Å; L1769-V1774 HydrophobicContact CD2-CG1 3.93Å; L1769-V1774 PolarHBondContact O-N 3.45Å; L1769-Y1776 HydrophobicContact CD1-CD2 4.45Å; L1769-L1803 HydrophobicContact CD1-CD2 4.01Å; L1769-Y1806 HydrophobicContact CD1-CE1 3.98Å; L1769-Y1806 HydrophobicContact CD2-CE1 3.84Å |
| 1770 | H | 90.6 | Very high | 91.1 | Very high | 20 Ų | 20 | 26 Ų | 26 | 9% | 0.093 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.4 | -37.5 | -178.6 | -64.1 | -178.6 | 0 | 0 | 0 | 112 | L1766 E1767 R1772 H1773 V1774 E1843 D1846 C1847 S1911 | L1766-H1770 WeakPolarHBondContact O-CB 3.41Å; L1766-H1770 PolarHBondContact O-CD2 3.18Å; L1766-H1770 VanDerWaalsContact O-CD2 3.3Å; L1766-H1770 PolarHBondContact O-N 2.97Å; E1767-H1770 PolarHBondContact O-N 2.81Å; E1767-H1770 VanDerWaalsContact O-N 3.15Å; H1770-R1772 PolarHBondContact O-N 3.06Å; H1770-H1773 WeakPolarHBondContact O-CA 3.35Å; H1770-H1773 PolarHBondContact O-N 3.35Å; H1770-V1774 PolarHBondContact CD2-O 3.01Å; H1770-E1843 HydrophobicContact CB-CB 4.47Å; H1770-E1843 HydrophobicContact CB-CG 4.43Å; H1770-E1843 PolarHBondContact CE1-O 2.9Å; H1770-D1846 IonicContact CD2-OD2 3.4Å; H1770-D1846 VanDerWaalsContact CE1-CB 3.45Å; H1770-D1846 WeakPolarHBondContact CE1-CB 3.21Å; H1770-D1846 WeakPolarHBondContact NE2-CB 3.3Å; H1770-D1846 IonicContact NE2-OD2 3.44Å; H1770-D1846 PolarHBondContact NE2-OD2 2.91Å; H1770-C1847 VanDerWaalsContact CE1-SG 3.53Å; H1770-S1911 VanDerWaalsContact ND1-CB 3.25Å; H1770-S1911 WeakPolarHBondContact ND1-CB 3.08Å; H1770-S1911 PolarHBondContact ND1-OG 3.48Å |
| 1771 | Q | 86.5 | Confident | 90.9 | Very high | 120 Ų | 120 | 25.9 Ų | 25.9 | 56% | 0.561 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -63 | -26.6 | 171.7 | -72.6 | 179.7 | 5.8 | 0 | 0 | 113.1 | E1767 L1769 H1773 | E1767-Q1771 VanDerWaalsContact CD-NE2 3.29Å; E1767-Q1771 HydrophobicContact CG-CG 4.08Å; E1767-Q1771 WeakPolarHBondContact O-CB 3.47Å; E1767-Q1771 VanDerWaalsContact O-CG 3.31Å; E1767-Q1771 WeakPolarHBondContact O-CG 3.25Å; E1767-Q1771 PolarHBondContact O-N 2.57Å; E1767-Q1771 PolarHBondContact OE1-NE2 2.86Å; E1767-Q1771 VanDerWaalsContact OE1-NE2 3.16Å; L1769-Q1771 VanDerWaalsContact C-N 3.34Å; L1769-Q1771 PolarHBondContact O-N 3.45Å; Q1771-H1773 VanDerWaalsContact C-N 3.3Å |
| 1772 | R | 83.5 | Confident | 90.5 | Very high | 110 Ų | 110 | 29.8 Ų | 29.8 | 42% | 0.415 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 12.1 | 171.3 | -78.1 | 173.7 | 167.2 | 57.1 | 9.2 | 113.3 | K1707 Y1768 L1769 H1770 V1774 | K1707-R1772 PolarHBondContact O-NE 2.84Å; Y1768-R1772 VanDerWaalsContact CZ-NH1 3.26Å; Y1768-R1772 PolarHBondContact O-N 2.95Å; Y1768-R1772 PolarHBondContact OH-NE 3.22Å; Y1768-R1772 PolarHBondContact OH-NH2 3.2Å; L1769-R1772 CarbonylContact O-C 3.49Å; L1769-R1772 WeakPolarHBondContact O-CA 3.26Å; L1769-R1772 PolarHBondContact O-N 3.4Å; H1770-R1772 PolarHBondContact O-N 3.06Å; R1772-V1774 HydrophobicContact CB-CG2 4.34Å; R1772-V1774 PolarHBondContact O-N 2.96Å |
| 1773 | H | 81.4 | Confident | 90.2 | Very high | 85 Ų | 85 | 30.2 Ų | 30.2 | 39% | 0.394 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.9 | -172.8 | -54.9 | -49.2 | 0 | 0 | 0 | 113.2 | L1769 H1770 Q1771 S1811 A1812 | L1769-H1773 PolarHBondContact O-N 3.1Å; H1770-H1773 WeakPolarHBondContact O-CA 3.35Å; H1770-H1773 PolarHBondContact O-N 3.35Å; Q1771-H1773 VanDerWaalsContact C-N 3.3Å; H1773-S1811 CarbonylContact O-C 3.59Å; H1773-S1811 VanDerWaalsContact O-CA 3.32Å; H1773-S1811 WeakPolarHBondContact O-CA 3.46Å; H1773-A1812 HydrophobicContact CB-CB 4.37Å; H1773-A1812 PolarHBondContact O-N 2.92Å |
| 1774 | V | 83.2 | Confident | 90.1 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.1 | 173 | -180 | 0 | 0 | 0 | 0 | 109.6 | V1704 L1769 H1770 R1772 R1810 | V1704-V1774 HydrophobicContact CG1-CG1 4Å; V1704-V1774 HydrophobicContact CG2-CG1 4.47Å; L1769-V1774 CarbonylContact C-O 2.91Å; L1769-V1774 HydrophobicContact CB-CB 4.26Å; L1769-V1774 HydrophobicContact CD2-CB 4.06Å; L1769-V1774 HydrophobicContact CD2-CG1 3.93Å; L1769-V1774 PolarHBondContact O-N 3.45Å; H1770-V1774 PolarHBondContact CD2-O 3.01Å; R1772-V1774 HydrophobicContact CB-CG2 4.34Å; R1772-V1774 PolarHBondContact O-N 2.96Å; V1774-R1810 WeakPolarHBondContact CA-O 3.41Å |
| 1775 | I | 86.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129 | 170.5 | -49.7 | 178.5 | 0 | 0 | 0 | 107.9 | R1777 S1809 R1810 A1812 M1818 Y1841 E1843 V1845 D1846 | I1775-R1777 HydrophobicContact CB-CG 4.42Å; I1775-R1777 HydrophobicContact CG2-CG 3.73Å; I1775-S1809 WeakPolarHBondContact O-CA 3.43Å; I1775-S1809 WeakPolarHBondContact O-CB 3.44Å; I1775-R1810 PolarHBondContact N-O 3Å; I1775-R1810 PolarHBondContact O-N 2.9Å; I1775-A1812 HydrophobicContact CD1-CB 4.37Å; I1775-A1812 HydrophobicContact CG1-CB 4.5Å; I1775-M1818 HydrophobicContact CD1-CB 3.73Å; I1775-M1818 HydrophobicContact CD1-CE 4.09Å; I1775-M1818 HydrophobicContact CD1-CG 4.14Å; I1775-M1818 HydrophobicContact CG1-CE 4.29Å; I1775-Y1841 HydrophobicContact CD1-CD2 4.45Å; I1775-Y1841 HydrophobicContact CD1-CE2 4.17Å; I1775-Y1841 HydrophobicContact CG2-CE2 4.46Å; I1775-E1843 HydrophobicContact CG1-CB 4.44Å; I1775-V1845 HydrophobicContact CG2-CG2 3.65Å; I1775-D1846 WeakPolarHBondContact CG2-OD2 3.3Å |
| 1776 | Y | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -84.7 | -49.2 | -166.6 | 176.7 | -114.3 | 0 | 0 | 0 | 113.2 | L1769 D1778 L1779 N1783 L1803 G1804 Y1806 S1809 D1846 | L1769-Y1776 HydrophobicContact CD1-CD2 4.45Å; Y1776-D1778 WeakPolarHBondContact CE1-O 3.26Å; Y1776-D1778 PolarHBondContact O-N 3.38Å; Y1776-L1779 HydrophobicContact CD1-CB 4.14Å; Y1776-L1779 HydrophobicContact CE1-CB 4.06Å; Y1776-N1783 VanDerWaalsContact OH-CB 3.26Å; Y1776-N1783 WeakPolarHBondContact OH-CB 3.33Å; Y1776-N1783 PolarHBondContact OH-ND2 3.31Å; Y1776-L1803 HydrophobicContact CD1-CD2 3.99Å; Y1776-L1803 HydrophobicContact CD2-CD2 3.99Å; Y1776-L1803 HydrophobicContact CE1-CD1 3.79Å; Y1776-L1803 HydrophobicContact CE1-CD2 3.87Å; Y1776-L1803 HydrophobicContact CE1-CG 4.08Å; Y1776-L1803 HydrophobicContact CE2-CD1 4.49Å; Y1776-L1803 HydrophobicContact CE2-CD2 3.9Å; Y1776-L1803 HydrophobicContact CE2-CG 3.98Å; Y1776-L1803 HydrophobicContact CG-CD2 4.06Å; Y1776-G1804 PolarHBondContact OH-O 3.11Å; Y1776-Y1806 AromaticContact CD2-CD1 3.75Å; Y1776-Y1806 HydrophobicContact CD2-CD1 3.75Å; Y1776-Y1806 AromaticContact CD2-CE1 3.6Å; Y1776-Y1806 HydrophobicContact CD2-CE1 3.6Å; Y1776-Y1806 AromaticContact CE2-CD1 3.88Å; Y1776-Y1806 HydrophobicContact CE2-CD1 3.88Å; Y1776-Y1806 AromaticContact CE2-CE1 3.77Å; Y1776-Y1806 HydrophobicContact CE2-CE1 3.77Å; Y1776-Y1806 HydrophobicContact CE2-CG 4.4Å; Y1776-S1809 VanDerWaalsContact CD2-OG 3.28Å; Y1776-S1809 WeakPolarHBondContact CD2-OG 3.35Å; Y1776-S1809 WeakPolarHBondContact O-CA 3.44Å; Y1776-S1809 PolarHBondContact O-OG 3.42Å; Y1776-D1846 PolarHBondContact N-OD2 3.42Å | ||
| 1777 | R | 86.7 | Confident | 89.7 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 5% | 0.045 | 14% | 0.141 | C | C | . | . | trans | 73.1 | 1.2 | 171.6 | -49.6 | -167.9 | -64 | 160.4 | 6.6 | 119 | I1775 I1808 G1820 F1821 G1823 Y1841 D1846 | I1775-R1777 HydrophobicContact CB-CG 4.42Å; I1775-R1777 HydrophobicContact CG2-CG 3.73Å; R1777-I1808 HydrophobicContact CB-CD1 4.24Å; R1777-I1808 HydrophobicContact CB-CG1 4.41Å; R1777-I1808 VanDerWaalsContact CZ-O 3.24Å; R1777-I1808 PolarHBondContact NE-O 3.06Å; R1777-I1808 PolarHBondContact NH2-O 2.98Å; R1777-G1820 PolarHBondContact NH1-O 3.05Å; R1777-F1821 PolarHBondContact NH1-O 2.84Å; R1777-G1823 WeakPolarHBondContact O-CA 3.27Å; R1777-Y1841 VanDerWaalsContact CD-OH 3.24Å; R1777-Y1841 WeakPolarHBondContact CD-OH 3.48Å; R1777-Y1841 PolarHBondContact NH1-OH 3.07Å; R1777-D1846 WeakPolarHBondContact CA-OD1 3.14Å; R1777-D1846 PolarHBondContact N-OD1 2.79Å | ||
| 1778 | D | 88.3 | Confident | 89.5 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | trans | -142.3 | 48 | 178.5 | -155.2 | 38.3 | 0 | 0 | 0 | 114.9 | Y1776 K1780 N1783 I1808 T1824 | Y1776-D1778 WeakPolarHBondContact CE1-O 3.26Å; Y1776-D1778 PolarHBondContact O-N 3.38Å; D1778-K1780 PolarHBondContact O-N 3.26Å; D1778-K1780 IonicContact OD1-NZ 3.84Å; D1778-K1780 WeakPolarHBondContact OD2-CE 3.33Å; D1778-K1780 IonicContact OD2-NZ 3.51Å; D1778-K1780 PolarHBondContact OD2-NZ 3.46Å; D1778-K1780 VanDerWaalsContact OD2-NZ 3.12Å; D1778-N1783 PolarHBondContact O-ND2 2.83Å; D1778-N1783 PolarHBondContact OD2-ND2 3.07Å; D1778-I1808 HydrophobicContact CB-CD1 3.9Å; D1778-I1808 HydrophobicContact CB-CG1 4.12Å; D1778-T1824 VanDerWaalsContact OD1-CB 3.27Å; D1778-T1824 WeakPolarHBondContact OD1-CB 3.39Å; D1778-T1824 PolarHBondContact OD1-N 2.9Å; D1778-T1824 PolarHBondContact OD1-OG1 3.4Å | ||
| 1779 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -77.6 | 119.5 | 178.9 | 176.9 | 60.3 | 0 | 0 | 0 | 112.2 | I1762 L1766 Y1776 V1784 L1803 F1827 F1850 F1853 | I1762-L1779 HydrophobicContact CG2-CD1 3.78Å; I1762-L1779 HydrophobicContact CG2-CD2 3.81Å; I1762-L1779 HydrophobicContact CG2-CG 4.49Å; L1766-L1779 HydrophobicContact CD1-CD2 3.99Å; Y1776-L1779 HydrophobicContact CD1-CB 4.14Å; Y1776-L1779 HydrophobicContact CE1-CB 4.06Å; L1779-V1784 HydrophobicContact CD1-CG2 4.17Å; L1779-L1803 HydrophobicContact CD1-CD1 3.9Å; L1779-F1827 WeakPolarHBondContact O-CD1 3.22Å; L1779-F1850 HydrophobicContact CD2-CB 3.99Å; L1779-F1850 HydrophobicContact CD2-CD2 3.82Å; L1779-F1850 HydrophobicContact CD2-CG 4.37Å; L1779-F1853 HydrophobicContact CD1-CG 4.42Å; L1779-F1853 HydrophobicContact CD2-CB 4.41Å; L1779-F1853 HydrophobicContact CG-CB 4.19Å; L1779-F1853 HydrophobicContact CG-CG 4.38Å | ||
| 1780 | K | 90.4 | Very high | 89 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 10% | 0.096 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -163.8 | 161.9 | -179.9 | 56.2 | 179.9 | 172.5 | 179.2 | 0 | 109.8 | D1778 E1782 N1783 T1824 F1827 | D1778-K1780 PolarHBondContact O-N 3.26Å; D1778-K1780 IonicContact OD1-NZ 3.84Å; D1778-K1780 WeakPolarHBondContact OD2-CE 3.33Å; D1778-K1780 IonicContact OD2-NZ 3.51Å; D1778-K1780 PolarHBondContact OD2-NZ 3.46Å; D1778-K1780 VanDerWaalsContact OD2-NZ 3.12Å; K1780-E1782 HydrophobicContact CD-CB 3.91Å; K1780-E1782 WeakPolarHBondContact CE-OE2 3.25Å; K1780-E1782 HydrophobicContact CG-CB 4.05Å; K1780-E1782 IonicContact NZ-OE2 2.67Å; K1780-E1782 PolarHBondContact NZ-OE2 3.29Å; K1780-E1782 PolarHBondContact O-N 2.88Å; K1780-N1783 VanDerWaalsContact CE-CG 3.4Å; K1780-N1783 VanDerWaalsContact CE-ND2 3.32Å; K1780-N1783 WeakPolarHBondContact CE-ND2 3.08Å; K1780-N1783 WeakPolarHBondContact CE-OD1 3.44Å; K1780-N1783 HydrophobicContact CG-CB 4.48Å; K1780-N1783 PolarHBondContact O-N 3.38Å; K1780-N1783 VanDerWaalsContact O-N 3.16Å; K1780-T1824 HydrophobicContact CD-CG2 4.24Å; K1780-T1824 WeakPolarHBondContact CE-OG1 3.24Å; K1780-T1824 PolarHBondContact NZ-OG1 2.83Å; K1780-F1827 HydrophobicContact CB-CD1 4.03Å; K1780-F1827 HydrophobicContact CB-CD2 4.28Å; K1780-F1827 HydrophobicContact CB-CE1 3.72Å; K1780-F1827 HydrophobicContact CB-CE2 3.99Å; K1780-F1827 HydrophobicContact CB-CG 4.3Å; K1780-F1827 HydrophobicContact CB-CZ 3.69Å |
| 1781 | S | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.3 | 179.7 | 73.2 | 0 | 0 | 0 | 0 | 115.3 | L1736 R1737 E1856 | L1736-S1781 PolarHBondContact N-O 3.01Å; R1737-S1781 WeakPolarHBondContact CA-OG 3.4Å; R1737-S1781 VanDerWaalsContact CB-OG 3.24Å; R1737-S1781 WeakPolarHBondContact CB-OG 3.42Å; R1737-S1781 WeakPolarHBondContact CG-OG 3.23Å; R1737-S1781 PolarHBondContact N-O 3.46Å; S1781-E1856 VanDerWaalsContact CB-CD 3.45Å; S1781-E1856 WeakPolarHBondContact CB-OE2 3.47Å; S1781-E1856 PolarHBondContact N-OE2 2.94Å; S1781-E1856 PolarHBondContact OG-OE1 2.68Å; S1781-E1856 PolarHBondContact OG-OE2 3.46Å; S1781-E1856 VanDerWaalsContact OG-OE2 3.08Å |
| 1782 | E | 87.7 | Confident | 88 | Confident | 95 Ų | 95 | 35.5 Ų | 35.5 | 44% | 0.444 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -33.9 | 177.5 | -171.6 | 170.7 | -123.8 | 0 | 0 | 112.6 | S1735 K1780 | S1735-E1782 VanDerWaalsContact CB-O 3.24Å; S1735-E1782 WeakPolarHBondContact CB-O 3.17Å; K1780-E1782 HydrophobicContact CD-CB 3.91Å; K1780-E1782 WeakPolarHBondContact CE-OE2 3.25Å; K1780-E1782 HydrophobicContact CG-CB 4.05Å; K1780-E1782 IonicContact NZ-OE2 2.67Å; K1780-E1782 PolarHBondContact NZ-OE2 3.29Å; K1780-E1782 PolarHBondContact O-N 2.88Å |
| 1783 | N | 90.6 | Very high | 87.4 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -5.9 | -177.4 | -62.2 | -2.8 | 0 | 0 | 0 | 112.8 | Y1776 D1778 K1780 G1804 | Y1776-N1783 VanDerWaalsContact OH-CB 3.26Å; Y1776-N1783 WeakPolarHBondContact OH-CB 3.33Å; Y1776-N1783 PolarHBondContact OH-ND2 3.31Å; D1778-N1783 PolarHBondContact O-ND2 2.83Å; D1778-N1783 PolarHBondContact OD2-ND2 3.07Å; K1780-N1783 VanDerWaalsContact CE-CG 3.4Å; K1780-N1783 VanDerWaalsContact CE-ND2 3.32Å; K1780-N1783 WeakPolarHBondContact CE-ND2 3.08Å; K1780-N1783 WeakPolarHBondContact CE-OD1 3.44Å; K1780-N1783 HydrophobicContact CG-CB 4.48Å; K1780-N1783 PolarHBondContact O-N 3.38Å; K1780-N1783 VanDerWaalsContact O-N 3.16Å; N1783-G1804 PolarHBondContact O-N 3.28Å |
| 1784 | V | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.9 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | S1735 L1736 I1762 L1779 V1801 L1803 F1853 | S1735-V1784 CarbonylContact C-O 3.51Å; S1735-V1784 WeakPolarHBondContact CA-O 3.41Å; L1736-V1784 HydrophobicContact CB-CB 4.14Å; L1736-V1784 HydrophobicContact CB-CG1 4.07Å; L1736-V1784 HydrophobicContact CD2-CB 4.36Å; L1736-V1784 HydrophobicContact CD2-CG1 3.99Å; L1736-V1784 PolarHBondContact N-O 3.21Å; I1762-V1784 HydrophobicContact CD1-CG1 4.07Å; I1762-V1784 HydrophobicContact CD1-CG2 3.81Å; I1762-V1784 HydrophobicContact CG1-CG2 4.28Å; L1779-V1784 HydrophobicContact CD1-CG2 4.17Å; V1784-V1801 HydrophobicContact CG1-CB 3.8Å; V1784-V1801 HydrophobicContact CG1-CG1 4.06Å; V1784-V1801 HydrophobicContact CG1-CG2 4.4Å; V1784-L1803 HydrophobicContact CG2-CD1 4.3Å; V1784-F1853 HydrophobicContact CG2-CE2 3.92Å; V1784-F1853 HydrophobicContact CG2-CZ 4.07Å |
| 1785 | L | 94 | Very high | 86.1 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 150 | 179.2 | -61.1 | -166.2 | 0 | 0 | 0 | 111.6 | V1714 A1731 G1734 W1787 V1801 K1802 | V1714-L1785 HydrophobicContact CG2-CB 4.19Å; V1714-L1785 HydrophobicContact CG2-CD1 4Å; V1714-L1785 HydrophobicContact CG2-CG 4.32Å; A1731-L1785 HydrophobicContact CB-CB 3.82Å; A1731-L1785 HydrophobicContact CB-CD1 4.22Å; G1734-L1785 WeakPolarHBondContact O-CA 3.4Å; L1785-W1787 HydrophobicContact CB-CH2 4.46Å; L1785-W1787 HydrophobicContact CB-CZ3 3.82Å; L1785-V1801 CarbonylContact O-C 3.59Å; L1785-V1801 WeakPolarHBondContact O-CA 3.48Å; L1785-K1802 PolarHBondContact N-O 2.95Å; L1785-K1802 PolarHBondContact O-N 2.77Å |
| 1786 | V | 93.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.5 | -160.8 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | L1733 G1734 L1736 L1739 F1789 V1801 | L1733-V1786 HydrophobicContact CB-CB 4.06Å; L1733-V1786 HydrophobicContact CB-CG1 4.08Å; L1733-V1786 HydrophobicContact CD1-CG1 4.03Å; L1733-V1786 PolarHBondContact N-O 2.81Å; G1734-V1786 PolarHBondContact O-N 3.32Å; L1736-V1786 HydrophobicContact CB-CG2 3.83Å; L1736-V1786 HydrophobicContact CD1-CG2 4.45Å; L1739-V1786 HydrophobicContact CD1-CB 4.26Å; L1739-V1786 HydrophobicContact CD1-CG1 3.86Å; L1739-V1786 HydrophobicContact CD1-CG2 4.16Å; V1786-F1789 HydrophobicContact CG1-CB 3.66Å; V1786-F1789 HydrophobicContact CG1-CD2 4.46Å; V1786-F1789 HydrophobicContact CG1-CG 4.38Å; V1786-V1801 HydrophobicContact CG1-CG1 4.38Å; V1786-V1801 HydrophobicContact CG2-CG1 4.21Å |
| 1787 | W | 92.8 | Very high | 84.4 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -39.7 | 174.6 | -86.4 | -101.8 | 0 | 0 | 0 | 112.4 | V1714 C1729 L1730 A1731 P1732 L1785 E1800 K1802 | V1714-W1787 HydrophobicContact CG1-CH2 4.34Å; V1714-W1787 HydrophobicContact CG2-CH2 4.06Å; V1714-W1787 HydrophobicContact CG2-CZ3 4.16Å; C1729-W1787 HydrophobicContact CB-CZ2 4.19Å; L1730-W1787 WeakPolarHBondContact O-CZ2 3.25Å; L1730-W1787 PolarHBondContact O-NE1 3.06Å; A1731-W1787 HydrophobicContact CB-CD2 4.38Å; A1731-W1787 HydrophobicContact CB-CE3 4.04Å; A1731-W1787 HydrophobicContact CB-CH2 3.67Å; A1731-W1787 HydrophobicContact CB-CZ2 4.04Å; A1731-W1787 HydrophobicContact CB-CZ3 3.67Å; P1732-W1787 HydrophobicContact CG-CG 4.43Å; L1785-W1787 HydrophobicContact CB-CH2 4.46Å; L1785-W1787 HydrophobicContact CB-CZ3 3.82Å; W1787-E1800 HydrophobicContact CB-CB 3.99Å; W1787-E1800 HydrophobicContact CB-CG 3.87Å; W1787-E1800 PolarHBondContact N-O 2.98Å; W1787-K1802 HydrophobicContact CD2-CD 4.11Å; W1787-K1802 HydrophobicContact CE3-CB 4.21Å; W1787-K1802 HydrophobicContact CE3-CD 3.7Å; W1787-K1802 HydrophobicContact CE3-CG 3.75Å; W1787-K1802 HydrophobicContact CH2-CD 4.13Å; W1787-K1802 HydrophobicContact CZ2-CD 4.48Å; W1787-K1802 HydrophobicContact CZ3-CB 3.75Å; W1787-K1802 HydrophobicContact CZ3-CD 3.72Å; W1787-K1802 HydrophobicContact CZ3-CG 3.77Å |
| 1788 | R | 91.4 | Very high | 84.1 | Confident | 150 Ų | 150 | 55.7 Ų | 55.7 | 57% | 0.566 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.9 | 172.3 | -71.4 | -177.9 | 167.4 | 131 | -7 | 110.2 | V1799 E1800 | R1788-V1799 WeakPolarHBondContact O-CA 3.45Å; R1788-E1800 HydrophobicContact CB-CB 3.92Å; R1788-E1800 HydrophobicContact CG-CB 4.43Å; R1788-E1800 PolarHBondContact N-O 3.39Å; R1788-E1800 PolarHBondContact O-N 2.93Å |
| 1789 | F | 89.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | trans | -162.3 | 142.9 | 174.7 | -157.3 | -99.6 | 0 | 0 | 0 | 107.6 | L1733 L1736 L1739 Y1743 L1750 V1754 V1786 V1799 | L1733-F1789 HydrophobicContact CD1-CB 4.22Å; L1736-F1789 HydrophobicContact CD1-CD2 4.11Å; L1736-F1789 HydrophobicContact CD1-CE1 4.34Å; L1736-F1789 HydrophobicContact CD1-CE2 3.59Å; L1736-F1789 HydrophobicContact CD1-CZ 3.72Å; L1739-F1789 HydrophobicContact CB-CD1 4.42Å; L1739-F1789 HydrophobicContact CD1-CB 3.75Å; L1739-F1789 HydrophobicContact CD1-CD1 3.83Å; L1739-F1789 HydrophobicContact CD1-CG 3.85Å; Y1743-F1789 HydrophobicContact CE2-CD1 4.27Å; Y1743-F1789 AromaticContact CE2-CE1 3.85Å; Y1743-F1789 HydrophobicContact CE2-CE1 3.85Å; L1750-F1789 HydrophobicContact CD1-CZ 4.3Å; L1750-F1789 HydrophobicContact CD2-CE1 3.78Å; L1750-F1789 HydrophobicContact CD2-CZ 3.72Å; V1754-F1789 HydrophobicContact CG1-CD2 4.43Å; V1754-F1789 HydrophobicContact CG1-CE1 4.3Å; V1754-F1789 HydrophobicContact CG1-CE2 3.65Å; V1754-F1789 HydrophobicContact CG1-CZ 3.57Å; V1786-F1789 HydrophobicContact CG1-CB 3.66Å; V1786-F1789 HydrophobicContact CG1-CD2 4.46Å; V1786-F1789 HydrophobicContact CG1-CG 4.38Å; F1789-V1799 HydrophobicContact CD2-CG1 4.16Å; F1789-V1799 HydrophobicContact CD2-CG2 4.11Å; F1789-V1799 HydrophobicContact CE2-CG2 4.36Å | ||
| 1790 | P | 85.8 | Confident | 84.3 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 7% | 0.071 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 145.4 | 175.3 | 23.2 | -30 | 0 | 0 | 0 | 111.9 | Y1743 V1754 N1794 L1796 | Y1743-P1790 PolarHBondContact OH-O 2.94Å; V1754-P1790 HydrophobicContact CG1-CG 4.23Å; V1754-P1790 HydrophobicContact CG2-CG 3.82Å; P1790-N1794 HydrophobicContact CB-CB 4.32Å; P1790-L1796 VanDerWaalsContact CB-O 3.25Å; P1790-L1796 WeakPolarHBondContact CB-O 3.25Å |
| 1791 | P | 80.4 | Confident | 84.5 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -74 | 161.4 | 163.3 | 30.6 | -31 | 0 | 0 | 0 | 110.6 | Y1743 N1794 | Y1743-P1791 PolarHBondContact OH-O 3.5Å; P1791-N1794 HydrophobicContact CG-CB 3.94Å; P1791-N1794 VanDerWaalsContact O-CB 3.26Å; P1791-N1794 WeakPolarHBondContact O-CB 3.47Å; P1791-N1794 PolarHBondContact O-N 2.74Å |
| 1792 | P | 75.2 | Confident | 84.8 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 141.4 | 175.3 | -30.9 | 36.9 | 0 | 0 | 0 | 113.6 | Y1743 S1746 A1748 N1794 | Y1743-P1792 HydrophobicContact CD1-CG 4.46Å; Y1743-P1792 HydrophobicContact CD2-CG 3.91Å; Y1743-P1792 HydrophobicContact CE1-CB 4.47Å; Y1743-P1792 HydrophobicContact CE1-CG 4.48Å; Y1743-P1792 HydrophobicContact CE2-CG 3.95Å; Y1743-P1792 HydrophobicContact CG-CG 4.17Å; S1746-P1792 WeakPolarHBondContact OG-CB 3.37Å; A1748-P1792 HydrophobicContact CB-CB 3.85Å; P1792-N1794 PolarHBondContact O-N 3.37Å; P1792-N1794 VanDerWaalsContact O-N 3.12Å |
| 1793 | F | 70.6 | Confident | 85.1 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 37% | 0.368 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 3.3 | -179.3 | -42.4 | -75.4 | 0 | 0 | 0 | 116.8 | F270 P273 I308 S1746 A1748 | F270-F1793 HydrophobicContact CB-CE2 4.5Å; F270-F1793 HydrophobicContact CD1-CD2 4.42Å; F270-F1793 HydrophobicContact CG-CE2 4.48Å; P273-F1793 HydrophobicContact CG-CD1 4.44Å; P273-F1793 HydrophobicContact CG-CE1 4.07Å; I308-F1793 HydrophobicContact CD1-CZ 4.32Å; S1746-F1793 WeakPolarHBondContact O-CZ 3.47Å; A1748-F1793 HydrophobicContact CB-CD1 4.24Å; A1748-F1793 HydrophobicContact CB-CE1 3.89Å; A1748-F1793 HydrophobicContact CB-CE2 4.41Å; A1748-F1793 HydrophobicContact CB-CZ 3.99Å |
| 1794 | N | 72 | Confident | 84.9 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | trans | -77.2 | 139.5 | 176.1 | -162.5 | -35.8 | 0 | 0 | 0 | 111.6 | P1790 P1791 P1792 L1796 | P1790-N1794 HydrophobicContact CB-CB 4.32Å; P1791-N1794 HydrophobicContact CG-CB 3.94Å; P1791-N1794 VanDerWaalsContact O-CB 3.26Å; P1791-N1794 WeakPolarHBondContact O-CB 3.47Å; P1791-N1794 PolarHBondContact O-N 2.74Å; P1792-N1794 PolarHBondContact O-N 3.37Å; P1792-N1794 VanDerWaalsContact O-N 3.12Å; N1794-L1796 WeakPolarHBondContact OD1-CB 3.37Å; N1794-L1796 WeakPolarHBondContact OD1-CG 3.49Å; N1794-L1796 PolarHBondContact OD1-N 3.06Å | ||
| 1795 | Q | 65.8 | Low | 84.4 | Confident | 187 Ų | 187 | 55.8 Ų | 55.8 | 87% | 0.874 | 28% | 0.279 | S | S | * | . | trans | -80.4 | -14.5 | 177.8 | -65.7 | -179.7 | -12.5 | 0 | 0 | 113.6 | ||||
| 1796 | L | 68.9 | Low | 83.7 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 63% | 0.634 | 27% | 0.269 | S | S | * | . | trans | -68.9 | 134.8 | 176.1 | -67.5 | 170.3 | 0 | 0 | 0 | 111.1 | P1790 N1794 | P1790-L1796 VanDerWaalsContact CB-O 3.25Å; P1790-L1796 WeakPolarHBondContact CB-O 3.25Å; N1794-L1796 WeakPolarHBondContact OD1-CB 3.37Å; N1794-L1796 WeakPolarHBondContact OD1-CG 3.49Å; N1794-L1796 PolarHBondContact OD1-N 3.06Å | ||
| 1797 | T | 72.1 | Confident | 82.3 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | trans | -106.9 | 4.3 | -174.1 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | T1753 V1799 | T1753-T1797 WeakPolarHBondContact OG1-CG2 3.31Å; T1797-V1799 PolarHBondContact O-N 2.93Å | ||
| 1798 | N | 80.2 | Confident | 81.2 | Confident | 105 Ų | 105 | 54.9 Ų | 54.9 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | trans | -75.4 | 123 | -170 | -166.3 | -42.2 | 0 | 0 | 0 | 112.6 | ||||
| 1799 | V | 90.6 | Very high | 80.4 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | trans | -127.1 | 136.8 | -175 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | V1754 E1757 Q1761 R1788 F1789 T1797 V1801 | V1754-V1799 HydrophobicContact CB-CG2 4.4Å; V1754-V1799 HydrophobicContact CG1-CG2 3.82Å; E1757-V1799 HydrophobicContact CB-CB 4.45Å; E1757-V1799 HydrophobicContact CG-CB 4.21Å; Q1761-V1799 PolarHBondContact NE2-O 3.22Å; R1788-V1799 WeakPolarHBondContact O-CA 3.45Å; F1789-V1799 HydrophobicContact CD2-CG1 4.16Å; F1789-V1799 HydrophobicContact CD2-CG2 4.11Å; F1789-V1799 HydrophobicContact CE2-CG2 4.36Å; T1797-V1799 PolarHBondContact O-N 2.93Å; V1799-V1801 HydrophobicContact CG1-CG1 3.82Å; V1799-V1801 HydrophobicContact CG1-CG2 4.41Å | ||
| 1800 | E | 94.5 | Very high | 79.6 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 108.7 | 168.5 | -171.7 | -173.4 | 163.9 | 0 | 0 | 109.4 | W1787 R1788 K1802 | W1787-E1800 HydrophobicContact CB-CB 3.99Å; W1787-E1800 HydrophobicContact CB-CG 3.87Å; W1787-E1800 PolarHBondContact N-O 2.98Å; R1788-E1800 HydrophobicContact CB-CB 3.92Å; R1788-E1800 HydrophobicContact CG-CB 4.43Å; R1788-E1800 PolarHBondContact N-O 3.39Å; R1788-E1800 PolarHBondContact O-N 2.93Å; E1800-K1802 WeakPolarHBondContact OE1-CE 3.43Å; E1800-K1802 IonicContact OE1-NZ 3.85Å; E1800-K1802 PolarHBondContact OE1-NZ 3.31Å |
| 1801 | V | 95.7 | Very high | 78.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.3 | -179.4 | -65 | 0 | 0 | 0 | 0 | 112.4 | N1712 T1758 Q1761 I1762 V1784 L1785 V1786 V1799 | N1712-V1801 PolarHBondContact ND2-O 3.04Å; T1758-V1801 HydrophobicContact CG2-CG1 4.36Å; T1758-V1801 HydrophobicContact CG2-CG2 4.1Å; Q1761-V1801 HydrophobicContact CB-CG2 3.74Å; Q1761-V1801 PolarHBondContact OE1-O 3.37Å; I1762-V1801 HydrophobicContact CD1-CG2 4.32Å; I1762-V1801 HydrophobicContact CG1-CG2 4.41Å; V1784-V1801 HydrophobicContact CG1-CB 3.8Å; V1784-V1801 HydrophobicContact CG1-CG1 4.06Å; V1784-V1801 HydrophobicContact CG1-CG2 4.4Å; L1785-V1801 CarbonylContact O-C 3.59Å; L1785-V1801 WeakPolarHBondContact O-CA 3.48Å; V1786-V1801 HydrophobicContact CG1-CG1 4.38Å; V1786-V1801 HydrophobicContact CG2-CG1 4.21Å; V1799-V1801 HydrophobicContact CG1-CG1 3.82Å; V1799-V1801 HydrophobicContact CG1-CG2 4.41Å |
| 1802 | K | 95.9 | Very high | 77.8 | Confident | 33 Ų | 33 | 48.4 Ų | 48.4 | 14% | 0.143 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 136.8 | -177 | -47.4 | -173.9 | 179.4 | 169.4 | 0 | 110.5 | P1711 N1712 V1714 L1785 W1787 E1800 | P1711-K1802 VanDerWaalsContact O-CD 3.23Å; P1711-K1802 WeakPolarHBondContact O-CD 3.19Å; P1711-K1802 WeakPolarHBondContact O-CE 3.13Å; N1712-K1802 CarbonylContact O-C 3.5Å; N1712-K1802 WeakPolarHBondContact O-CA 3.3Å; V1714-K1802 HydrophobicContact CG2-CB 3.77Å; L1785-K1802 PolarHBondContact N-O 2.95Å; L1785-K1802 PolarHBondContact O-N 2.77Å; W1787-K1802 HydrophobicContact CD2-CD 4.11Å; W1787-K1802 HydrophobicContact CE3-CB 4.21Å; W1787-K1802 HydrophobicContact CE3-CD 3.7Å; W1787-K1802 HydrophobicContact CE3-CG 3.75Å; W1787-K1802 HydrophobicContact CH2-CD 4.13Å; W1787-K1802 HydrophobicContact CZ2-CD 4.48Å; W1787-K1802 HydrophobicContact CZ3-CB 3.75Å; W1787-K1802 HydrophobicContact CZ3-CD 3.72Å; W1787-K1802 HydrophobicContact CZ3-CG 3.77Å; E1800-K1802 WeakPolarHBondContact OE1-CE 3.43Å; E1800-K1802 IonicContact OE1-NZ 3.85Å; E1800-K1802 PolarHBondContact OE1-NZ 3.31Å |
| 1803 | L | 93.1 | Very high | 77 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131 | 179.9 | -166.2 | 65.6 | 0 | 0 | 0 | 110.7 | N1712 V1714 I1762 A1765 L1769 Y1776 L1779 V1784 Y1806 | N1712-L1803 PolarHBondContact O-N 3.12Å; V1714-L1803 WeakPolarHBondContact CG2-O 3.46Å; V1714-L1803 PolarHBondContact N-O 2.96Å; I1762-L1803 HydrophobicContact CD1-CB 4.46Å; I1762-L1803 HydrophobicContact CD1-CD1 4.44Å; A1765-L1803 HydrophobicContact CB-CB 4.41Å; L1769-L1803 HydrophobicContact CD1-CD2 4.01Å; Y1776-L1803 HydrophobicContact CD1-CD2 3.99Å; Y1776-L1803 HydrophobicContact CD2-CD2 3.99Å; Y1776-L1803 HydrophobicContact CE1-CD1 3.79Å; Y1776-L1803 HydrophobicContact CE1-CD2 3.87Å; Y1776-L1803 HydrophobicContact CE1-CG 4.08Å; Y1776-L1803 HydrophobicContact CE2-CD1 4.49Å; Y1776-L1803 HydrophobicContact CE2-CD2 3.9Å; Y1776-L1803 HydrophobicContact CE2-CG 3.98Å; Y1776-L1803 HydrophobicContact CG-CD2 4.06Å; L1779-L1803 HydrophobicContact CD1-CD1 3.9Å; V1784-L1803 HydrophobicContact CG2-CD1 4.3Å; L1803-Y1806 PolarHBondContact O-OH 3.23Å |
| 1804 | G | 87.9 | Confident | 76 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | trans | -124 | -170.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1776 N1783 | Y1776-G1804 PolarHBondContact OH-O 3.11Å; N1783-G1804 PolarHBondContact O-N 3.28Å | ||
| 1805 | D | 82 | Confident | 75 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | trans | 44.4 | 83.7 | -179.6 | -158.2 | -0.4 | 0 | 0 | 0 | 115.8 | F1632 K1657 G1807 | F1632-D1805 WeakPolarHBondContact CE1-OD2 3.49Å; K1657-D1805 IonicContact NZ-OD1 2.7Å; K1657-D1805 PolarHBondContact NZ-OD1 3.27Å; D1805-G1807 VanDerWaalsContact C-N 3.25Å; D1805-G1807 PolarHBondContact O-N 2.97Å; D1805-G1807 PolarHBondContact OD1-N 3.17Å | ||
| 1806 | Y | 80.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | trans | -88.8 | 15.1 | 178.5 | -67.7 | -91.1 | 0 | 0 | 0 | 112.9 | V1704 L1705 L1708 I1713 L1769 Y1776 L1803 I1808 S1809 | V1704-Y1806 HydrophobicContact CG1-CD1 3.97Å; V1704-Y1806 HydrophobicContact CG1-CG 4.37Å; L1705-Y1806 HydrophobicContact CD2-CD2 3.59Å; L1705-Y1806 HydrophobicContact CD2-CE2 4.01Å; L1705-Y1806 HydrophobicContact CD2-CG 4.25Å; L1705-Y1806 HydrophobicContact CG-CD2 4.31Å; L1708-Y1806 HydrophobicContact CD1-CD1 4.35Å; L1708-Y1806 HydrophobicContact CD1-CE1 3.99Å; I1713-Y1806 HydrophobicContact CG2-CE2 4.14Å; I1713-Y1806 WeakPolarHBondContact CG2-OH 3.46Å; L1769-Y1806 HydrophobicContact CD1-CE1 3.98Å; L1769-Y1806 HydrophobicContact CD2-CE1 3.84Å; Y1776-Y1806 AromaticContact CD2-CD1 3.75Å; Y1776-Y1806 HydrophobicContact CD2-CD1 3.75Å; Y1776-Y1806 AromaticContact CD2-CE1 3.6Å; Y1776-Y1806 HydrophobicContact CD2-CE1 3.6Å; Y1776-Y1806 AromaticContact CE2-CD1 3.88Å; Y1776-Y1806 HydrophobicContact CE2-CD1 3.88Å; Y1776-Y1806 AromaticContact CE2-CE1 3.77Å; Y1776-Y1806 HydrophobicContact CE2-CE1 3.77Å; Y1776-Y1806 HydrophobicContact CE2-CG 4.4Å; L1803-Y1806 PolarHBondContact O-OH 3.23Å; Y1806-I1808 PolarHBondContact O-N 3.06Å; Y1806-S1809 WeakPolarHBondContact CD1-OG 3.3Å; Y1806-S1809 PolarHBondContact O-N 3.06Å | ||
| 1807 | G | 64 | Low | 73.7 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -13.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | D1805 | D1805-G1807 VanDerWaalsContact C-N 3.25Å; D1805-G1807 PolarHBondContact O-N 2.97Å; D1805-G1807 PolarHBondContact OD1-N 3.17Å |
| 1808 | I | 70 | Confident | 73.2 | Confident | 54 Ų | 54 | 36.7 Ų | 36.7 | 28% | 0.277 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 9 | 171.7 | 69.6 | 167.7 | 0 | 0 | 0 | 114.2 | R1777 D1778 Y1806 | R1777-I1808 HydrophobicContact CB-CD1 4.24Å; R1777-I1808 HydrophobicContact CB-CG1 4.41Å; R1777-I1808 VanDerWaalsContact CZ-O 3.24Å; R1777-I1808 PolarHBondContact NE-O 3.06Å; R1777-I1808 PolarHBondContact NH2-O 2.98Å; D1778-I1808 HydrophobicContact CB-CD1 3.9Å; D1778-I1808 HydrophobicContact CB-CG1 4.12Å; Y1806-I1808 PolarHBondContact O-N 3.06Å |
| 1809 | S | 74.2 | Confident | 72.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | trans | -71.8 | 157 | 174.8 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | Q1700 I1775 Y1776 Y1806 | Q1700-S1809 PolarHBondContact NE2-O 2.67Å; I1775-S1809 WeakPolarHBondContact O-CA 3.43Å; I1775-S1809 WeakPolarHBondContact O-CB 3.44Å; Y1776-S1809 VanDerWaalsContact CD2-OG 3.28Å; Y1776-S1809 WeakPolarHBondContact CD2-OG 3.35Å; Y1776-S1809 WeakPolarHBondContact O-CA 3.44Å; Y1776-S1809 PolarHBondContact O-OG 3.42Å; Y1806-S1809 WeakPolarHBondContact CD1-OG 3.3Å; Y1806-S1809 PolarHBondContact O-N 3.06Å | ||
| 1810 | R | 72.1 | Confident | 70.8 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 15% | 0.151 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 148.6 | 179.7 | -78.4 | -176.2 | 161.9 | -162.2 | -13.1 | 112 | D1484 V1774 I1775 M1818 K1819 | D1484-R1810 IonicContact OD1-CZ 3.69Å; D1484-R1810 VanDerWaalsContact OD1-CZ 3.23Å; D1484-R1810 IonicContact OD1-NH1 2.74Å; D1484-R1810 PolarHBondContact OD1-NH1 3.35Å; D1484-R1810 IonicContact OD1-NH2 3.94Å; D1484-R1810 PolarHBondContact OD1-NH2 3.26Å; D1484-R1810 IonicContact OD2-NH1 3.64Å; D1484-R1810 PolarHBondContact OD2-NH1 3.17Å; V1774-R1810 WeakPolarHBondContact CA-O 3.41Å; I1775-R1810 PolarHBondContact N-O 3Å; I1775-R1810 PolarHBondContact O-N 2.9Å; R1810-M1818 HydrophobicContact CB-CE 3.41Å; R1810-M1818 VanDerWaalsContact CB-CE 3.41Å; R1810-M1818 HydrophobicContact CB-SD 3.81Å; R1810-M1818 WeakPolarHBondContact O-CE 3.25Å; R1810-K1819 PolarHBondContact NH1-O 3.43Å |
| 1811 | S | 67.8 | Low | 69.4 | Low | 61 Ų | 61 | 36.2 Ų | 36.2 | 43% | 0.427 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.9 | 170.2 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | H1773 M1818 | H1773-S1811 CarbonylContact O-C 3.59Å; H1773-S1811 VanDerWaalsContact O-CA 3.32Å; H1773-S1811 WeakPolarHBondContact O-CA 3.46Å; S1811-M1818 VanDerWaalsContact C-CE 3.42Å; S1811-M1818 WeakPolarHBondContact O-CE 3.35Å |
| 1812 | A | 61.5 | Low | 67.9 | Low | 16 Ų | 16 | 36.6 Ų | 36.6 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 158.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1773 I1775 M1818 | H1773-A1812 HydrophobicContact CB-CB 4.37Å; H1773-A1812 PolarHBondContact O-N 2.92Å; I1775-A1812 HydrophobicContact CD1-CB 4.37Å; I1775-A1812 HydrophobicContact CG1-CB 4.5Å; A1812-M1818 HydrophobicContact CB-CE 3.88Å |
| 1813 | L | 57.5 | Low | 66.6 | Low | 79 Ų | 79 | 36.2 Ų | 36.2 | 41% | 0.414 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -77.1 | 158.7 | 167.3 | -70.9 | 167.8 | 0 | 0 | 0 | 110.2 | M1815 G1816 | L1813-M1815 PolarHBondContact O-N 2.71Å; L1813-G1816 PolarHBondContact O-N 3.25Å |
| 1814 | P | 50.1 | Low | 65.8 | Low | 73 Ų | 73 | 37.9 Ų | 37.9 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.5 | -178.5 | -28 | 36.3 | 0 | 0 | 0 | 116.5 | ||
| 1815 | M | 51.2 | Low | 65.1 | Low | 83 Ų | 83 | 43 Ų | 43 | 41% | 0.409 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 8.8 | 172.8 | -66 | -168.8 | 172.6 | 0 | 0 | 114.1 | T1226 N1229 L1813 N1817 | T1226-M1815 HydrophobicContact CG2-CE 4.06Å; N1229-M1815 VanDerWaalsContact OD1-CE 3.26Å; N1229-M1815 WeakPolarHBondContact OD1-CE 3.46Å; L1813-M1815 PolarHBondContact O-N 2.71Å; M1815-N1817 VanDerWaalsContact C-N 3.3Å; M1815-N1817 PolarHBondContact O-N 3.01Å |
| 1816 | G | 47.7 | Very low | 64.9 | Low | 21 Ų | 21 | 40.9 Ų | 40.9 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | trans | 81.5 | -14.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | L1813 | L1813-G1816 PolarHBondContact O-N 3.25Š| ||
| 1817 | N | 58.5 | Low | 65.4 | Low | 63 Ų | 63 | 41 Ų | 41 | 34% | 0.337 | 24% | 0.237 | S | C | . | . | trans | -88.8 | 132.3 | -175.6 | -71.2 | 11.6 | 0 | 0 | 0 | 113 | M1815 E1840 | M1815-N1817 VanDerWaalsContact C-N 3.3Å; M1815-N1817 PolarHBondContact O-N 3.01Å; N1817-E1840 HydrophobicContact CB-CB 4.01Å; N1817-E1840 HydrophobicContact CB-CG 3.94Å; N1817-E1840 WeakPolarHBondContact CB-OE2 3.28Å; N1817-E1840 PolarHBondContact ND2-OE2 3.38Å | ||
| 1818 | M | 62.1 | Low | 66.5 | Low | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -132.4 | 145.6 | -177.8 | 177.7 | 76.9 | 78.5 | 0 | 0 | 111.2 | I1775 R1810 S1811 A1812 E1840 Y1841 | I1775-M1818 HydrophobicContact CD1-CB 3.73Å; I1775-M1818 HydrophobicContact CD1-CE 4.09Å; I1775-M1818 HydrophobicContact CD1-CG 4.14Å; I1775-M1818 HydrophobicContact CG1-CE 4.29Å; R1810-M1818 HydrophobicContact CB-CE 3.41Å; R1810-M1818 VanDerWaalsContact CB-CE 3.41Å; R1810-M1818 HydrophobicContact CB-SD 3.81Å; R1810-M1818 WeakPolarHBondContact O-CE 3.25Å; S1811-M1818 VanDerWaalsContact C-CE 3.42Å; S1811-M1818 WeakPolarHBondContact O-CE 3.35Å; A1812-M1818 HydrophobicContact CB-CE 3.88Å; M1818-E1840 CarbonylContact O-C 3.59Å; M1818-E1840 VanDerWaalsContact O-CA 3.26Å; M1818-E1840 WeakPolarHBondContact O-CA 3.41Å; M1818-Y1841 HydrophobicContact CB-CD2 4.41Å; M1818-Y1841 HydrophobicContact CB-CE2 3.94Å; M1818-Y1841 HydrophobicContact CG-CE1 4.45Å; M1818-Y1841 HydrophobicContact CG-CE2 3.76Å; M1818-Y1841 VanDerWaalsContact CG-OH 3.27Å; M1818-Y1841 WeakPolarHBondContact CG-OH 3.26Å; M1818-Y1841 PolarHBondContact N-O 3.48Å; M1818-Y1841 WeakPolarHBondContact O-CD1 3.27Å; M1818-Y1841 PolarHBondContact O-N 3.5Å |
| 1819 | K | 62.8 | Low | 67.4 | Low | 42 Ų | 42 | 38 Ų | 38 | 18% | 0.183 | 22% | 0.218 | C | C | . | . | trans | -116.7 | 166.2 | 168.6 | -66.9 | -164.4 | 174 | -156.2 | 0 | 112.4 | R1810 E1838 E1840 | R1810-K1819 PolarHBondContact NH1-O 3.43Å; K1819-E1838 WeakPolarHBondContact CD-O 3.35Å; K1819-E1838 VanDerWaalsContact CE-O 3.25Å; K1819-E1838 WeakPolarHBondContact CE-O 3.18Å; K1819-E1838 PolarHBondContact NZ-O 3.38Å; K1819-E1840 HydrophobicContact CD-CG 4.29Å; K1819-E1840 WeakPolarHBondContact CE-OE1 3.33Å; K1819-E1840 HydrophobicContact CG-CG 3.69Å | ||
| 1820 | G | 58.6 | Low | 68 | Low | 17 Ų | 17 | 38.3 Ų | 38.3 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | trans | 115 | 144.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1777 G1837 Y1841 | R1777-G1820 PolarHBondContact NH1-O 3.05Å; G1820-G1837 PolarHBondContact N-O 2.99Å; G1820-Y1841 WeakPolarHBondContact O-CE1 3.44Å; G1820-Y1841 PolarHBondContact O-OH 3.3Å | ||
| 1821 | F | 64.5 | Low | 68.4 | Low | 96 Ų | 96 | 38.1 Ų | 38.1 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | trans | -76.5 | 152 | 178.2 | -164.5 | -117.7 | 0 | 0 | 0 | 112.5 | R1777 M1828 I1832 N1836 | R1777-F1821 PolarHBondContact NH1-O 2.84Å; F1821-M1828 HydrophobicContact CE1-CE 4.04Å; F1821-M1828 HydrophobicContact CE2-CE 4.15Å; F1821-M1828 HydrophobicContact CE2-SD 4.15Å; F1821-M1828 HydrophobicContact CZ-CE 3.62Å; F1821-M1828 HydrophobicContact CZ-SD 4.06Å; F1821-I1832 HydrophobicContact CD2-CG2 4.09Å; F1821-I1832 HydrophobicContact CE2-CG2 4.31Å; F1821-N1836 WeakPolarHBondContact CB-O 3.28Å; F1821-N1836 HydrophobicContact CD2-CB 4.34Å | ||
| 1822 | G | 63.2 | Low | 69.1 | Low | 9 Ų | 9 | 35.4 Ų | 35.4 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | trans | 165.4 | 148.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1823 | G | 68.7 | Low | 69.9 | Low | 24 Ų | 24 | 35.1 Ų | 35.1 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | trans | 135.1 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1777 M1828 | R1777-G1823 WeakPolarHBondContact O-CA 3.27Å; G1823-M1828 WeakPolarHBondContact O-CE 3.49Å | ||
| 1824 | T | 77.5 | Confident | 70.7 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | trans | -89.4 | 132.8 | 170.9 | -63 | 0 | 0 | 0 | 0 | 110.6 | D1778 K1780 G1826 F1827 M1828 | D1778-T1824 VanDerWaalsContact OD1-CB 3.27Å; D1778-T1824 WeakPolarHBondContact OD1-CB 3.39Å; D1778-T1824 PolarHBondContact OD1-N 2.9Å; D1778-T1824 PolarHBondContact OD1-OG1 3.4Å; K1780-T1824 HydrophobicContact CD-CG2 4.24Å; K1780-T1824 WeakPolarHBondContact CE-OG1 3.24Å; K1780-T1824 PolarHBondContact NZ-OG1 2.83Å; T1824-G1826 PolarHBondContact O-N 3.2Å; T1824-F1827 HydrophobicContact CG2-CD2 4.01Å; T1824-F1827 PolarHBondContact O-N 3.41Å; T1824-M1828 PolarHBondContact O-N 3.27Å; T1824-M1828 VanDerWaalsContact O-N 3.09Å | ||
| 1825 | E | 72.6 | Confident | 71.4 | Confident | 112 Ų | 112 | 37.8 Ų | 37.8 | 52% | 0.523 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 134.5 | 179.3 | -54.7 | -166.5 | -169.2 | 0 | 0 | 110.8 | M1828 K1871 | E1825-M1828 HydrophobicContact CG-CE 4.31Å; E1825-K1871 WeakPolarHBondContact OE1-CE 3.48Å; E1825-K1871 IonicContact OE1-NZ 3.6Å; E1825-K1871 PolarHBondContact OE1-NZ 3.11Å; E1825-K1871 WeakPolarHBondContact OE2-CE 3.47Å; E1825-K1871 IonicContact OE2-NZ 2.64Å; E1825-K1871 PolarHBondContact OE2-NZ 2.86Å |
| 1826 | G | 78.9 | Confident | 72.2 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -26.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1824 F1864 | T1824-G1826 PolarHBondContact O-N 3.2Å; G1826-F1864 WeakPolarHBondContact O-CE2 3.43Å |
| 1827 | F | 89.5 | Confident | 72.7 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -23.2 | 173.4 | -65.1 | -98 | 0 | 0 | 0 | 112.7 | L1779 K1780 T1824 A1829 Y1848 S1849 M1852 M1862 P1863 | L1779-F1827 WeakPolarHBondContact O-CD1 3.22Å; K1780-F1827 HydrophobicContact CB-CD1 4.03Å; K1780-F1827 HydrophobicContact CB-CD2 4.28Å; K1780-F1827 HydrophobicContact CB-CE1 3.72Å; K1780-F1827 HydrophobicContact CB-CE2 3.99Å; K1780-F1827 HydrophobicContact CB-CG 4.3Å; K1780-F1827 HydrophobicContact CB-CZ 3.69Å; T1824-F1827 HydrophobicContact CG2-CD2 4.01Å; T1824-F1827 PolarHBondContact O-N 3.41Å; F1827-A1829 PolarHBondContact O-N 3.08Å; F1827-Y1848 WeakPolarHBondContact O-CD1 3.47Å; F1827-S1849 PolarHBondContact O-OG 3.33Å; F1827-M1852 HydrophobicContact CD1-CB 3.61Å; F1827-M1852 HydrophobicContact CE1-CB 4.01Å; F1827-M1852 HydrophobicContact CG-CB 4.34Å; F1827-M1862 HydrophobicContact CE2-SD 4.41Å; F1827-P1863 HydrophobicContact CD1-CG 4.45Å; F1827-P1863 HydrophobicContact CE1-CG 3.85Å; F1827-P1863 HydrophobicContact CE2-CG 4.05Å; F1827-P1863 HydrophobicContact CZ-CG 3.63Å |
| 1828 | M | 87.8 | Confident | 72.7 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -55.2 | 133.8 | 176.6 | -72.3 | -176.8 | -175.4 | 0 | 0 | 113.6 | F1821 G1823 T1824 E1825 I1833 Y1848 | F1821-M1828 HydrophobicContact CE1-CE 4.04Å; F1821-M1828 HydrophobicContact CE2-CE 4.15Å; F1821-M1828 HydrophobicContact CE2-SD 4.15Å; F1821-M1828 HydrophobicContact CZ-CE 3.62Å; F1821-M1828 HydrophobicContact CZ-SD 4.06Å; G1823-M1828 WeakPolarHBondContact O-CE 3.49Å; T1824-M1828 PolarHBondContact O-N 3.27Å; T1824-M1828 VanDerWaalsContact O-N 3.09Å; E1825-M1828 HydrophobicContact CG-CE 4.31Å; M1828-I1833 HydrophobicContact CB-CD1 3.88Å; M1828-I1833 HydrophobicContact CB-CG1 3.71Å; M1828-I1833 HydrophobicContact SD-CG1 4.01Å; M1828-Y1848 VanDerWaalsContact O-CE1 3.29Å; M1828-Y1848 WeakPolarHBondContact O-CE1 3.24Å |
| 1829 | A | 88.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -68.3 | 146.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1827 E1831 I1832 I1833 V1845 Y1848 | F1827-A1829 PolarHBondContact O-N 3.08Å; A1829-E1831 VanDerWaalsContact C-N 3.26Å; A1829-E1831 HydrophobicContact CB-CG 4.44Å; A1829-E1831 PolarHBondContact O-N 3.32Å; A1829-E1831 VanDerWaalsContact O-N 3.13Å; A1829-I1832 PolarHBondContact O-N 2.84Å; A1829-I1833 PolarHBondContact O-N 3.3Å; A1829-V1845 HydrophobicContact CB-CB 3.95Å; A1829-V1845 HydrophobicContact CB-CG1 3.95Å; A1829-Y1848 HydrophobicContact CB-CD1 4.08Å; A1829-Y1848 HydrophobicContact CB-CG 3.94Å | ||
| 1830 | P | 86.6 | Confident | 72.8 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.045 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -51 | -38.7 | -178.2 | -26.9 | 30.6 | 0 | 0 | 0 | 114.8 | I1833 R1834 Y1848 I1874 Q1903 | P1830-I1833 PolarHBondContact O-N 3.34Å; P1830-R1834 WeakPolarHBondContact O-CB 3.49Å; P1830-R1834 PolarHBondContact O-N 3.34Å; P1830-Y1848 HydrophobicContact CG-CE2 4.03Å; P1830-I1874 HydrophobicContact CB-CG2 4.29Å; P1830-I1874 HydrophobicContact CG-CG2 3.8Å; P1830-Q1903 VanDerWaalsContact CG-OE1 3.23Å |
| 1831 | E | 81.5 | Confident | 73.5 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -33.1 | -179.5 | 58.8 | -92.1 | -140.6 | 0 | 0 | 113.9 | A1829 V1845 S1905 R1908 | A1829-E1831 VanDerWaalsContact C-N 3.26Å; A1829-E1831 HydrophobicContact CB-CG 4.44Å; A1829-E1831 PolarHBondContact O-N 3.32Å; A1829-E1831 VanDerWaalsContact O-N 3.13Å; E1831-V1845 HydrophobicContact CG-CG1 3.98Å; E1831-S1905 WeakPolarHBondContact OE1-CB 3.28Å; E1831-R1908 IonicContact OE1-CZ 2.68Å; E1831-R1908 IonicContact OE1-NH1 3.6Å; E1831-R1908 PolarHBondContact OE1-NH1 3.45Å; E1831-R1908 IonicContact OE1-NH2 3.36Å; E1831-R1908 PolarHBondContact OE1-NH2 3.22Å; E1831-R1908 IonicContact OE2-CZ 3.13Å; E1831-R1908 IonicContact OE2-NH1 2.74Å; E1831-R1908 PolarHBondContact OE2-NH1 3.08Å; E1831-R1908 IonicContact OE2-NH2 2.77Å; E1831-R1908 PolarHBondContact OE2-NH2 2.95Å |
| 1832 | I | 81.3 | Confident | 74.3 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.3 | -46.1 | 174.2 | -63 | 176.5 | 0 | 0 | 0 | 109.4 | F1821 A1829 N1836 G1837 Y1841 V1845 | F1821-I1832 HydrophobicContact CD2-CG2 4.09Å; F1821-I1832 HydrophobicContact CE2-CG2 4.31Å; A1829-I1832 PolarHBondContact O-N 2.84Å; I1832-N1836 CarbonylContact O-C 3.57Å; I1832-N1836 WeakPolarHBondContact O-CA 3.48Å; I1832-N1836 PolarHBondContact O-N 3.44Å; I1832-G1837 PolarHBondContact O-N 3.34Å; I1832-Y1841 HydrophobicContact CG1-CD1 4.21Å; I1832-Y1841 HydrophobicContact CG1-CE1 4.44Å; I1832-Y1841 HydrophobicContact CG1-CG 4.31Å; I1832-V1845 HydrophobicContact CD1-CB 3.81Å; I1832-V1845 HydrophobicContact CD1-CG1 3.81Å; I1832-V1845 HydrophobicContact CD1-CG2 4.11Å; I1832-V1845 HydrophobicContact CG1-CB 4.49Å; I1832-V1845 HydrophobicContact CG1-CG1 3.94Å |
| 1833 | I | 79.4 | Confident | 75.4 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -49.6 | -178.3 | -57.5 | 169.2 | 0 | 0 | 0 | 110.5 | M1828 A1829 P1830 Y1835 N1836 K1871 I1874 L1875 | M1828-I1833 HydrophobicContact CB-CD1 3.88Å; M1828-I1833 HydrophobicContact CB-CG1 3.71Å; M1828-I1833 HydrophobicContact SD-CG1 4.01Å; A1829-I1833 PolarHBondContact O-N 3.3Å; P1830-I1833 PolarHBondContact O-N 3.34Å; I1833-Y1835 PolarHBondContact O-N 2.93Å; I1833-Y1835 VanDerWaalsContact O-N 3.1Å; I1833-N1836 PolarHBondContact O-N 2.92Å; I1833-K1871 HydrophobicContact CG2-CB 3.83Å; I1833-K1871 HydrophobicContact CG2-CD 4.17Å; I1833-K1871 HydrophobicContact CG2-CG 3.83Å; I1833-I1874 HydrophobicContact CD1-CB 4.17Å; I1833-I1874 HydrophobicContact CD1-CD1 4.15Å; I1833-I1874 HydrophobicContact CD1-CG2 3.76Å; I1833-L1875 HydrophobicContact CB-CD2 4.3Å; I1833-L1875 HydrophobicContact CG2-CD1 3.95Å; I1833-L1875 HydrophobicContact CG2-CD2 4.24Å; I1833-L1875 HydrophobicContact CG2-CG 4.04Å |
| 1834 | R | 73.9 | Confident | 76.4 | Confident | 167 Ų | 167 | 42.4 Ų | 42.4 | 63% | 0.63 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -57.3 | -31.6 | -169.3 | -176.9 | 170.5 | 163.8 | 147.6 | -1.6 | 114.2 | P1830 L1875 | P1830-R1834 WeakPolarHBondContact O-CB 3.49Å; P1830-R1834 PolarHBondContact O-N 3.34Å; R1834-L1875 HydrophobicContact CB-CD2 3.53Å; R1834-L1875 HydrophobicContact CG-CD2 4.16Å |
| 1835 | Y | 64.5 | Low | 77.1 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 11.4 | -174.8 | -61.2 | -83.1 | 0 | 0 | 0 | 112.7 | I1833 G1837 E1838 E1839 | I1833-Y1835 PolarHBondContact O-N 2.93Å; I1833-Y1835 VanDerWaalsContact O-N 3.1Å; Y1835-G1837 PolarHBondContact O-N 3.19Å; Y1835-G1837 VanDerWaalsContact O-N 3.09Å; Y1835-E1838 VanDerWaalsContact O-CB 3.31Å; Y1835-E1838 WeakPolarHBondContact O-CB 3.3Å; Y1835-E1838 WeakPolarHBondContact O-CG 3.45Å; Y1835-E1838 PolarHBondContact O-N 3.34Å; Y1835-E1839 HydrophobicContact CD1-CB 4.36Å; Y1835-E1839 HydrophobicContact CD1-CG 3.7Å; Y1835-E1839 HydrophobicContact CD2-CB 3.88Å; Y1835-E1839 HydrophobicContact CD2-CG 3.88Å; Y1835-E1839 VanDerWaalsContact CD2-OE2 3.3Å; Y1835-E1839 WeakPolarHBondContact CD2-OE2 3.4Å; Y1835-E1839 HydrophobicContact CE1-CG 3.94Å; Y1835-E1839 VanDerWaalsContact CE2-CD 3.47Å; Y1835-E1839 HydrophobicContact CE2-CG 4.14Å; Y1835-E1839 WeakPolarHBondContact CE2-OE2 3.5Å; Y1835-E1839 HydrophobicContact CG-CB 3.8Å; Y1835-E1839 HydrophobicContact CG-CG 3.64Å; Y1835-E1839 VanDerWaalsContact CZ-OE2 3.27Å |
| 1836 | N | 67.4 | Low | 78.1 | Confident | 101 Ų | 101 | 35.5 Ų | 35.5 | 54% | 0.54 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 34 | -170.8 | -60.6 | -48.9 | 0 | 0 | 0 | 113.5 | F1821 I1832 I1833 E1838 | F1821-N1836 WeakPolarHBondContact CB-O 3.28Å; F1821-N1836 HydrophobicContact CD2-CB 4.34Å; I1832-N1836 CarbonylContact O-C 3.57Å; I1832-N1836 WeakPolarHBondContact O-CA 3.48Å; I1832-N1836 PolarHBondContact O-N 3.44Å; I1833-N1836 PolarHBondContact O-N 2.92Å; N1836-E1838 VanDerWaalsContact C-N 3.3Å; N1836-E1838 PolarHBondContact O-N 2.91Å |
| 1837 | G | 58.8 | Low | 78.9 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 11.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1820 I1832 Y1835 | G1820-G1837 PolarHBondContact N-O 2.99Å; I1832-G1837 PolarHBondContact O-N 3.34Å; Y1835-G1837 PolarHBondContact O-N 3.19Å; Y1835-G1837 VanDerWaalsContact O-N 3.09Å |
| 1838 | E | 57.3 | Low | 79.1 | Confident | 149 Ų | 149 | 35.1 Ų | 35.1 | 70% | 0.696 | 16% | 0.161 | S | C | * | . | trans | -76.7 | -22.3 | 174.3 | -64 | -177.2 | -171.8 | 0 | 0 | 113.1 | K1819 Y1835 N1836 | K1819-E1838 WeakPolarHBondContact CD-O 3.35Å; K1819-E1838 VanDerWaalsContact CE-O 3.25Å; K1819-E1838 WeakPolarHBondContact CE-O 3.18Å; K1819-E1838 PolarHBondContact NZ-O 3.38Å; Y1835-E1838 VanDerWaalsContact O-CB 3.31Å; Y1835-E1838 WeakPolarHBondContact O-CB 3.3Å; Y1835-E1838 WeakPolarHBondContact O-CG 3.45Å; Y1835-E1838 PolarHBondContact O-N 3.34Å; N1836-E1838 VanDerWaalsContact C-N 3.3Å; N1836-E1838 PolarHBondContact O-N 2.91Å | ||
| 1839 | E | 62 | Low | 79.4 | Confident | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -84.8 | 157.3 | 167.2 | -90.9 | -154.4 | 153.9 | 0 | 0 | 112 | V1156 K1159 Y1835 | V1156-E1839 HydrophobicContact CG2-CB 3.64Å; V1156-E1839 HydrophobicContact CG2-CG 3.67Å; V1156-E1839 WeakPolarHBondContact CG2-OE2 3.49Å; V1156-E1839 PolarHBondContact N-OE1 3.2Å; V1156-E1839 VanDerWaalsContact N-OE1 3.11Å; K1159-E1839 IonicContact NZ-OE1 3.91Å; K1159-E1839 PolarHBondContact NZ-OE1 3.47Å; K1159-E1839 IonicContact NZ-OE2 2.65Å; K1159-E1839 PolarHBondContact NZ-OE2 3.34Å; Y1835-E1839 HydrophobicContact CD1-CB 4.36Å; Y1835-E1839 HydrophobicContact CD1-CG 3.7Å; Y1835-E1839 HydrophobicContact CD2-CB 3.88Å; Y1835-E1839 HydrophobicContact CD2-CG 3.88Å; Y1835-E1839 VanDerWaalsContact CD2-OE2 3.3Å; Y1835-E1839 WeakPolarHBondContact CD2-OE2 3.4Å; Y1835-E1839 HydrophobicContact CE1-CG 3.94Å; Y1835-E1839 VanDerWaalsContact CE2-CD 3.47Å; Y1835-E1839 HydrophobicContact CE2-CG 4.14Å; Y1835-E1839 WeakPolarHBondContact CE2-OE2 3.5Å; Y1835-E1839 HydrophobicContact CG-CB 3.8Å; Y1835-E1839 HydrophobicContact CG-CG 3.64Å; Y1835-E1839 VanDerWaalsContact CZ-OE2 3.27Å |
| 1840 | E | 65.8 | Low | 79.8 | Confident | 35 Ų | 35 | 35 Ų | 35 | 16% | 0.164 | 16% | 0.161 | C | C | . | . | trans | -74.5 | 133 | 172.4 | -80.4 | 155.9 | -143.4 | 0 | 0 | 112.3 | V1156 W1485 N1817 M1818 K1819 | V1156-E1840 HydrophobicContact CB-CB 4.4Å; V1156-E1840 HydrophobicContact CG2-CB 3.93Å; V1156-E1840 VanDerWaalsContact CG2-N 3.34Å; V1156-E1840 VanDerWaalsContact CG2-O 3.29Å; V1156-E1840 WeakPolarHBondContact CG2-O 3.3Å; W1485-E1840 WeakPolarHBondContact CH2-OE1 3.26Å; N1817-E1840 HydrophobicContact CB-CB 4.01Å; N1817-E1840 HydrophobicContact CB-CG 3.94Å; N1817-E1840 WeakPolarHBondContact CB-OE2 3.28Å; N1817-E1840 PolarHBondContact ND2-OE2 3.38Å; M1818-E1840 CarbonylContact O-C 3.59Å; M1818-E1840 VanDerWaalsContact O-CA 3.26Å; M1818-E1840 WeakPolarHBondContact O-CA 3.41Å; K1819-E1840 HydrophobicContact CD-CG 4.29Å; K1819-E1840 WeakPolarHBondContact CE-OE1 3.33Å; K1819-E1840 HydrophobicContact CG-CG 3.69Å | ||
| 1841 | Y | 73.3 | Confident | 80.2 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -129.4 | 166.2 | 172.3 | 60.3 | -93.9 | 0 | 0 | 0 | 110.2 | I1775 R1777 M1818 G1820 I1832 V1845 | I1775-Y1841 HydrophobicContact CD1-CD2 4.45Å; I1775-Y1841 HydrophobicContact CD1-CE2 4.17Å; I1775-Y1841 HydrophobicContact CG2-CE2 4.46Å; R1777-Y1841 VanDerWaalsContact CD-OH 3.24Å; R1777-Y1841 WeakPolarHBondContact CD-OH 3.48Å; R1777-Y1841 PolarHBondContact NH1-OH 3.07Å; M1818-Y1841 HydrophobicContact CB-CD2 4.41Å; M1818-Y1841 HydrophobicContact CB-CE2 3.94Å; M1818-Y1841 HydrophobicContact CG-CE1 4.45Å; M1818-Y1841 HydrophobicContact CG-CE2 3.76Å; M1818-Y1841 VanDerWaalsContact CG-OH 3.27Å; M1818-Y1841 WeakPolarHBondContact CG-OH 3.26Å; M1818-Y1841 PolarHBondContact N-O 3.48Å; M1818-Y1841 WeakPolarHBondContact O-CD1 3.27Å; M1818-Y1841 PolarHBondContact O-N 3.5Å; G1820-Y1841 WeakPolarHBondContact O-CE1 3.44Å; G1820-Y1841 PolarHBondContact O-OH 3.3Å; I1832-Y1841 HydrophobicContact CG1-CD1 4.21Å; I1832-Y1841 HydrophobicContact CG1-CE1 4.44Å; I1832-Y1841 HydrophobicContact CG1-CG 4.31Å; Y1841-V1845 HydrophobicContact CD2-CG1 3.77Å; Y1841-V1845 HydrophobicContact CD2-CG2 4.06Å; Y1841-V1845 HydrophobicContact CE2-CG2 4.29Å; Y1841-V1845 HydrophobicContact CG-CG1 4.11Å |
| 1842 | T | 82 | Confident | 80.8 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | trans | -117.1 | -176 | -178.9 | 84.5 | 0 | 0 | 0 | 0 | 111 | R1844 V1845 | T1842-R1844 PolarHBondContact O-N 3.24Å; T1842-R1844 WeakPolarHBondContact OG1-CG 3.39Å; T1842-R1844 PolarHBondContact OG1-N 3.3Å; T1842-V1845 WeakPolarHBondContact O-CG2 3.26Å; T1842-V1845 PolarHBondContact O-N 3.25Å | ||
| 1843 | E | 85.9 | Confident | 81.4 | Confident | 53 Ų | 53 | 32.7 Ų | 32.7 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.1 | 178.5 | 78.9 | -57.7 | 137.8 | 0 | 0 | 115.1 | H1770 I1775 V1845 D1846 | H1770-E1843 HydrophobicContact CB-CB 4.47Å; H1770-E1843 HydrophobicContact CB-CG 4.43Å; H1770-E1843 PolarHBondContact CE1-O 2.9Å; I1775-E1843 HydrophobicContact CG1-CB 4.44Å; E1843-V1845 PolarHBondContact O-N 3.44Å; E1843-D1846 PolarHBondContact O-N 3.22Å |
| 1844 | R | 90.4 | Very high | 82.1 | Confident | 55 Ų | 55 | 32.2 Ų | 32.2 | 21% | 0.208 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.5 | -11.5 | 175.2 | -61.9 | -62 | -177 | 96.9 | -13.1 | 114.9 | T1842 Y1848 S1905 S1906 R1908 | T1842-R1844 PolarHBondContact O-N 3.24Å; T1842-R1844 WeakPolarHBondContact OG1-CG 3.39Å; T1842-R1844 PolarHBondContact OG1-N 3.3Å; R1844-Y1848 PolarHBondContact O-N 3.25Å; R1844-S1905 WeakPolarHBondContact CG-O 3.49Å; R1844-S1905 PolarHBondContact NH1-O 2.91Å; R1844-S1906 PolarHBondContact NH1-O 2.87Å; R1844-R1908 PolarHBondContact NH1-O 3.05Å; R1844-R1908 WeakPolarHBondContact O-CD 3.49Å; R1844-R1908 PolarHBondContact O-NH1 3.08Å |
| 1845 | V | 91.6 | Very high | 83 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72.6 | -32.6 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | I1775 A1829 E1831 I1832 Y1841 T1842 E1843 Y1848 S1849 | I1775-V1845 HydrophobicContact CG2-CG2 3.65Å; A1829-V1845 HydrophobicContact CB-CB 3.95Å; A1829-V1845 HydrophobicContact CB-CG1 3.95Å; E1831-V1845 HydrophobicContact CG-CG1 3.98Å; I1832-V1845 HydrophobicContact CD1-CB 3.81Å; I1832-V1845 HydrophobicContact CD1-CG1 3.81Å; I1832-V1845 HydrophobicContact CD1-CG2 4.11Å; I1832-V1845 HydrophobicContact CG1-CB 4.49Å; I1832-V1845 HydrophobicContact CG1-CG1 3.94Å; Y1841-V1845 HydrophobicContact CD2-CG1 3.77Å; Y1841-V1845 HydrophobicContact CD2-CG2 4.06Å; Y1841-V1845 HydrophobicContact CE2-CG2 4.29Å; Y1841-V1845 HydrophobicContact CG-CG1 4.11Å; T1842-V1845 WeakPolarHBondContact O-CG2 3.26Å; T1842-V1845 PolarHBondContact O-N 3.25Å; E1843-V1845 PolarHBondContact O-N 3.44Å; V1845-Y1848 PolarHBondContact O-N 2.9Å; V1845-S1849 PolarHBondContact O-N 3.46Å; V1845-S1849 PolarHBondContact O-OG 3.18Å; V1845-S1849 VanDerWaalsContact O-OG 3.06Å |
| 1846 | D | 93.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.9 | -33.7 | 176.8 | -66.6 | -35.3 | 0 | 0 | 0 | 110.6 | L1766 H1770 I1775 Y1776 R1777 E1843 Y1848 S1849 F1850 | L1766-D1846 HydrophobicContact CD1-CB 4.37Å; L1766-D1846 HydrophobicContact CD2-CB 4.04Å; H1770-D1846 IonicContact CD2-OD2 3.4Å; H1770-D1846 VanDerWaalsContact CE1-CB 3.45Å; H1770-D1846 WeakPolarHBondContact CE1-CB 3.21Å; H1770-D1846 WeakPolarHBondContact NE2-CB 3.3Å; H1770-D1846 IonicContact NE2-OD2 3.44Å; H1770-D1846 PolarHBondContact NE2-OD2 2.91Å; I1775-D1846 WeakPolarHBondContact CG2-OD2 3.3Å; Y1776-D1846 PolarHBondContact N-OD2 3.42Å; R1777-D1846 WeakPolarHBondContact CA-OD1 3.14Å; R1777-D1846 PolarHBondContact N-OD1 2.79Å; E1843-D1846 PolarHBondContact O-N 3.22Å; D1846-Y1848 VanDerWaalsContact C-N 3.29Å; D1846-Y1848 PolarHBondContact O-N 3.42Å; D1846-S1849 WeakPolarHBondContact O-CB 3.15Å; D1846-S1849 PolarHBondContact O-N 3.09Å; D1846-F1850 PolarHBondContact O-N 3.2Å |
| 1847 | C | 95.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.2 | -32.2 | 172.7 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | H1770 G1851 C1900 P1909 L1914 | H1770-C1847 VanDerWaalsContact CE1-SG 3.53Å; C1847-G1851 PolarHBondContact O-N 3.4Å; C1847-C1900 WeakPolarHBondContact O-CB 3.42Å; C1847-P1909 PolarHBondContact SG-O 2.84Å; C1847-L1914 HydrophobicContact CB-CD1 4.19Å |
| 1848 | Y | 95 | Very high | 86.7 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.9 | -45.6 | 172.1 | -176.8 | -85.5 | 0 | 0 | 0 | 111.2 | F1827 M1828 A1829 P1830 R1844 V1845 D1846 F1850 G1851 M1852 C1900 W1901 | F1827-Y1848 WeakPolarHBondContact O-CD1 3.47Å; M1828-Y1848 VanDerWaalsContact O-CE1 3.29Å; M1828-Y1848 WeakPolarHBondContact O-CE1 3.24Å; A1829-Y1848 HydrophobicContact CB-CD1 4.08Å; A1829-Y1848 HydrophobicContact CB-CG 3.94Å; P1830-Y1848 HydrophobicContact CG-CE2 4.03Å; R1844-Y1848 PolarHBondContact O-N 3.25Å; V1845-Y1848 PolarHBondContact O-N 2.9Å; D1846-Y1848 VanDerWaalsContact C-N 3.29Å; D1846-Y1848 PolarHBondContact O-N 3.42Å; Y1848-F1850 PolarHBondContact O-N 3.41Å; Y1848-G1851 PolarHBondContact O-N 2.91Å; Y1848-G1851 VanDerWaalsContact O-N 3.13Å; Y1848-M1852 HydrophobicContact CD1-CG 4.42Å; Y1848-M1852 HydrophobicContact CE1-CE 3.7Å; Y1848-M1852 HydrophobicContact CE1-CG 4.09Å; Y1848-M1852 HydrophobicContact CE2-CE 4.36Å; Y1848-M1852 PolarHBondContact O-N 3.18Å; Y1848-M1852 WeakPolarHBondContact OH-CE 3.37Å; Y1848-C1900 WeakPolarHBondContact CA-O 2.99Å; Y1848-W1901 HydrophobicContact CD2-CB 4.16Å; Y1848-W1901 HydrophobicContact CE2-CB 3.95Å; Y1848-W1901 WeakPolarHBondContact CE2-O 3.31Å |
| 1849 | S | 94.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 13 Ų | 13 | 3% | 0.028 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.2 | -34.9 | 176.5 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | F1827 V1845 D1846 M1852 F1853 | F1827-S1849 PolarHBondContact O-OG 3.33Å; V1845-S1849 PolarHBondContact O-N 3.46Å; V1845-S1849 PolarHBondContact O-OG 3.18Å; V1845-S1849 VanDerWaalsContact O-OG 3.06Å; D1846-S1849 WeakPolarHBondContact O-CB 3.15Å; D1846-S1849 PolarHBondContact O-N 3.09Å; S1849-M1852 PolarHBondContact O-N 2.98Å; S1849-F1853 WeakPolarHBondContact O-CB 3.47Å; S1849-F1853 PolarHBondContact O-N 2.97Å |
| 1850 | F | 96.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 174.6 | -169 | -92.5 | 0 | 0 | 0 | 112.7 | A1759 I1762 A1763 L1766 L1779 D1846 Y1848 M1852 F1853 L1854 L1914 T1918 | A1759-F1850 HydrophobicContact CB-CZ 4.11Å; I1762-F1850 HydrophobicContact CB-CE2 4.26Å; I1762-F1850 HydrophobicContact CG2-CD2 4.08Å; I1762-F1850 HydrophobicContact CG2-CE2 3.97Å; A1763-F1850 HydrophobicContact CB-CE2 4.14Å; A1763-F1850 HydrophobicContact CB-CZ 4.17Å; L1766-F1850 HydrophobicContact CD1-CB 4.39Å; L1766-F1850 HydrophobicContact CD1-CD2 3.95Å; L1779-F1850 HydrophobicContact CD2-CB 3.99Å; L1779-F1850 HydrophobicContact CD2-CD2 3.82Å; L1779-F1850 HydrophobicContact CD2-CG 4.37Å; D1846-F1850 PolarHBondContact O-N 3.2Å; Y1848-F1850 PolarHBondContact O-N 3.41Å; F1850-M1852 VanDerWaalsContact C-N 3.35Å; F1850-M1852 PolarHBondContact O-N 2.96Å; F1850-F1853 WeakPolarHBondContact O-CB 3.45Å; F1850-F1853 PolarHBondContact O-N 3.48Å; F1850-L1854 HydrophobicContact CD1-CD1 4.21Å; F1850-L1854 HydrophobicContact CD1-CG 4.21Å; F1850-L1854 HydrophobicContact CE1-CD1 3.9Å; F1850-L1854 HydrophobicContact CE1-CD2 4.07Å; F1850-L1854 HydrophobicContact CE1-CG 4.01Å; F1850-L1854 HydrophobicContact CZ-CD2 4.3Å; F1850-L1854 WeakPolarHBondContact O-CG 3.4Å; F1850-L1854 PolarHBondContact O-N 3.36Å; F1850-L1914 HydrophobicContact CB-CD1 4.17Å; F1850-L1914 HydrophobicContact CD1-CD1 3.9Å; F1850-L1914 HydrophobicContact CD1-CD2 3.95Å; F1850-L1914 HydrophobicContact CD1-CG 4.49Å; F1850-L1914 HydrophobicContact CD2-CD1 4.43Å; F1850-L1914 HydrophobicContact CE1-CD1 4.4Å; F1850-L1914 HydrophobicContact CE1-CD2 4.07Å; F1850-L1914 HydrophobicContact CG-CD1 3.92Å; F1850-T1918 HydrophobicContact CE1-CG2 4.23Å; F1850-T1918 HydrophobicContact CZ-CG2 4.05Å |
| 1851 | G | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1847 Y1848 F1853 L1854 Y1855 C1900 | C1847-G1851 PolarHBondContact O-N 3.4Å; Y1848-G1851 PolarHBondContact O-N 2.91Å; Y1848-G1851 VanDerWaalsContact O-N 3.13Å; G1851-F1853 VanDerWaalsContact C-N 3.32Å; G1851-F1853 PolarHBondContact O-N 2.81Å; G1851-L1854 PolarHBondContact O-N 3.12Å; G1851-Y1855 PolarHBondContact O-N 2.93Å; G1851-Y1855 VanDerWaalsContact O-N 3.15Å; G1851-C1900 VanDerWaalsContact CA-CB 3.47Å |
| 1852 | M | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.4 | -30.5 | 175.2 | -63.7 | -58.2 | 175.8 | 0 | 0 | 112.8 | F1827 Y1848 S1849 F1850 E1856 P1863 F1864 P1880 W1901 | F1827-M1852 HydrophobicContact CD1-CB 3.61Å; F1827-M1852 HydrophobicContact CE1-CB 4.01Å; F1827-M1852 HydrophobicContact CG-CB 4.34Å; Y1848-M1852 HydrophobicContact CD1-CG 4.42Å; Y1848-M1852 HydrophobicContact CE1-CE 3.7Å; Y1848-M1852 HydrophobicContact CE1-CG 4.09Å; Y1848-M1852 HydrophobicContact CE2-CE 4.36Å; Y1848-M1852 PolarHBondContact O-N 3.18Å; Y1848-M1852 WeakPolarHBondContact OH-CE 3.37Å; S1849-M1852 PolarHBondContact O-N 2.98Å; F1850-M1852 VanDerWaalsContact C-N 3.35Å; F1850-M1852 PolarHBondContact O-N 2.96Å; M1852-E1856 PolarHBondContact O-N 3.17Å; M1852-E1856 VanDerWaalsContact O-N 3.08Å; M1852-P1863 HydrophobicContact CB-CB 4.39Å; M1852-P1863 HydrophobicContact CB-CG 3.93Å; M1852-P1863 WeakPolarHBondContact O-CG 3.45Å; M1852-P1863 HydrophobicContact SD-CB 4Å; M1852-P1863 HydrophobicContact SD-CG 4.46Å; M1852-F1864 HydrophobicContact CE-CE2 3.8Å; M1852-F1864 HydrophobicContact CE-CZ 3.77Å; M1852-F1864 HydrophobicContact SD-CE2 4.05Å; M1852-F1864 HydrophobicContact SD-CZ 4.45Å; M1852-P1880 HydrophobicContact CE-CG 4.45Å; M1852-P1880 HydrophobicContact SD-CG 3.94Å; M1852-W1901 HydrophobicContact CE-CB 4.03Å; M1852-W1901 HydrophobicContact CE-CD2 4.42Å; M1852-W1901 HydrophobicContact CE-CE3 3.96Å; M1852-W1901 HydrophobicContact SD-CE3 3.77Å; M1852-W1901 HydrophobicContact SD-CZ3 4.29Å |
| 1853 | F | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69 | -42.2 | 172.2 | 173.4 | -110.2 | 0 | 0 | 0 | 112.6 | L1736 T1758 I1762 L1779 V1784 S1849 F1850 G1851 Y1855 E1856 M1857 | L1736-F1853 HydrophobicContact CD2-CE2 3.98Å; L1736-F1853 HydrophobicContact CD2-CZ 3.97Å; T1758-F1853 HydrophobicContact CG2-CE1 4.4Å; T1758-F1853 HydrophobicContact CG2-CZ 3.96Å; I1762-F1853 HydrophobicContact CB-CE1 4.42Å; I1762-F1853 HydrophobicContact CG1-CE1 4.12Å; I1762-F1853 HydrophobicContact CG1-CZ 4.32Å; I1762-F1853 HydrophobicContact CG2-CE1 4.46Å; L1779-F1853 HydrophobicContact CD1-CG 4.42Å; L1779-F1853 HydrophobicContact CD2-CB 4.41Å; L1779-F1853 HydrophobicContact CG-CB 4.19Å; L1779-F1853 HydrophobicContact CG-CG 4.38Å; V1784-F1853 HydrophobicContact CG2-CE2 3.92Å; V1784-F1853 HydrophobicContact CG2-CZ 4.07Å; S1849-F1853 WeakPolarHBondContact O-CB 3.47Å; S1849-F1853 PolarHBondContact O-N 2.97Å; F1850-F1853 WeakPolarHBondContact O-CB 3.45Å; F1850-F1853 PolarHBondContact O-N 3.48Å; G1851-F1853 VanDerWaalsContact C-N 3.32Å; G1851-F1853 PolarHBondContact O-N 2.81Å; F1853-Y1855 VanDerWaalsContact C-N 3.3Å; F1853-Y1855 PolarHBondContact O-N 3.36Å; F1853-E1856 PolarHBondContact O-N 3.44Å; F1853-M1857 HydrophobicContact CE1-CE 3.92Å; F1853-M1857 HydrophobicContact CE1-CG 4.42Å; F1853-M1857 HydrophobicContact CE1-SD 3.85Å; F1853-M1857 HydrophobicContact CE2-CG 4.1Å; F1853-M1857 HydrophobicContact CE2-SD 4.18Å; F1853-M1857 HydrophobicContact CZ-CE 4.25Å; F1853-M1857 HydrophobicContact CZ-CG 4.05Å; F1853-M1857 HydrophobicContact CZ-SD 3.55Å; F1853-M1857 VanDerWaalsContact CZ-SD 3.55Å; F1853-M1857 WeakPolarHBondContact O-CG 3.41Å; F1853-M1857 PolarHBondContact O-N 3.24Å; F1853-M1857 VanDerWaalsContact O-N 3.08Å |
| 1854 | L | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 172.9 | -66.3 | -174.9 | 0 | 0 | 0 | 111.6 | A1759 F1850 G1851 M1857 Y1858 F1893 I1896 M1897 | A1759-L1854 HydrophobicContact CB-CD2 3.84Å; F1850-L1854 HydrophobicContact CD1-CD1 4.21Å; F1850-L1854 HydrophobicContact CD1-CG 4.21Å; F1850-L1854 HydrophobicContact CE1-CD1 3.9Å; F1850-L1854 HydrophobicContact CE1-CD2 4.07Å; F1850-L1854 HydrophobicContact CE1-CG 4.01Å; F1850-L1854 HydrophobicContact CZ-CD2 4.3Å; F1850-L1854 WeakPolarHBondContact O-CG 3.4Å; F1850-L1854 PolarHBondContact O-N 3.36Å; G1851-L1854 PolarHBondContact O-N 3.12Å; L1854-M1857 HydrophobicContact CD2-CE 4.05Å; L1854-M1857 PolarHBondContact O-N 2.76Å; L1854-Y1858 PolarHBondContact O-N 3.46Å; L1854-F1893 HydrophobicContact CB-CE2 4Å; L1854-F1893 HydrophobicContact CB-CZ 4.43Å; L1854-F1893 HydrophobicContact CD1-CD2 4.5Å; L1854-F1893 HydrophobicContact CD1-CE2 4.26Å; L1854-F1893 HydrophobicContact CD2-CE2 4.23Å; L1854-F1893 HydrophobicContact CG-CE2 4.38Å; L1854-I1896 HydrophobicContact CD1-CG2 4.11Å; L1854-M1897 HydrophobicContact CB-CB 4.39Å; L1854-M1897 HydrophobicContact CB-CG 4.32Å; L1854-M1897 HydrophobicContact CD1-CB 4.19Å |
| 1855 | Y | 91.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 17.7 Ų | 17.7 | 8% | 0.078 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.3 | -172.8 | -93.1 | 0 | 0 | 0 | 112.5 | G1851 F1853 M1857 Y1858 T1859 P1863 P1880 A1881 M1897 W1901 | G1851-Y1855 PolarHBondContact O-N 2.93Å; G1851-Y1855 VanDerWaalsContact O-N 3.15Å; F1853-Y1855 VanDerWaalsContact C-N 3.3Å; F1853-Y1855 PolarHBondContact O-N 3.36Å; Y1855-M1857 VanDerWaalsContact C-N 3.3Å; Y1855-M1857 PolarHBondContact O-N 2.88Å; Y1855-Y1858 AromaticContact CD2-CE1 3.71Å; Y1855-Y1858 HydrophobicContact CD2-CE1 3.71Å; Y1855-Y1858 HydrophobicContact CE2-CE1 4.24Å; Y1855-Y1858 WeakPolarHBondContact CE2-OH 3.29Å; Y1855-Y1858 HydrophobicContact CG-CE1 4.33Å; Y1855-T1859 HydrophobicContact CD1-CG2 4.22Å; Y1855-T1859 HydrophobicContact CD2-CG2 4.1Å; Y1855-T1859 HydrophobicContact CE1-CG2 3.89Å; Y1855-T1859 HydrophobicContact CE2-CG2 3.74Å; Y1855-T1859 HydrophobicContact CG-CG2 4.32Å; Y1855-T1859 WeakPolarHBondContact O-CB 3.23Å; Y1855-T1859 WeakPolarHBondContact O-CG2 3.37Å; Y1855-T1859 PolarHBondContact O-N 2.71Å; Y1855-T1859 VanDerWaalsContact O-N 3.13Å; Y1855-T1859 PolarHBondContact O-OG1 3.3Å; Y1855-P1863 HydrophobicContact CD1-CG 4.44Å; Y1855-P1880 HydrophobicContact CD1-CB 4.03Å; Y1855-P1880 HydrophobicContact CD1-CG 4.33Å; Y1855-P1880 HydrophobicContact CD2-CB 3.91Å; Y1855-P1880 HydrophobicContact CE1-CB 3.58Å; Y1855-P1880 HydrophobicContact CE1-CG 4.3Å; Y1855-P1880 HydrophobicContact CE2-CB 3.46Å; Y1855-P1880 VanDerWaalsContact CE2-CB 3.46Å; Y1855-P1880 HydrophobicContact CE2-CG 4.5Å; Y1855-P1880 HydrophobicContact CG-CB 4.18Å; Y1855-P1880 HydrophobicContact CG-CG 4.44Å; Y1855-A1881 WeakPolarHBondContact CE2-O 3.13Å; Y1855-A1881 PolarHBondContact OH-O 3.22Å; Y1855-M1897 HydrophobicContact CD2-SD 4Å; Y1855-M1897 HydrophobicContact CG-SD 4.45Å; Y1855-W1901 AromaticContact CD2-CH2 3.95Å; Y1855-W1901 HydrophobicContact CD2-CH2 3.95Å; Y1855-W1901 AromaticContact CD2-CZ3 3.87Å; Y1855-W1901 HydrophobicContact CD2-CZ3 3.87Å; Y1855-W1901 HydrophobicContact CG-CZ3 4.17Å |
| 1856 | E | 91.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.023 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 178.5 | -174.9 | 177.8 | -158.4 | 0 | 0 | 112.4 | R1737 L1740 S1781 M1852 F1853 L1860 K1861 | R1737-E1856 IonicContact CZ-OE1 2.73Å; R1737-E1856 IonicContact NH1-OE1 3.16Å; R1737-E1856 PolarHBondContact NH1-OE1 3.07Å; L1740-E1856 HydrophobicContact CD1-CG 4.25Å; S1781-E1856 VanDerWaalsContact CB-CD 3.45Å; S1781-E1856 WeakPolarHBondContact CB-OE2 3.47Å; S1781-E1856 PolarHBondContact N-OE2 2.94Å; S1781-E1856 PolarHBondContact OG-OE1 2.68Å; S1781-E1856 PolarHBondContact OG-OE2 3.46Å; S1781-E1856 VanDerWaalsContact OG-OE2 3.08Å; M1852-E1856 PolarHBondContact O-N 3.17Å; M1852-E1856 VanDerWaalsContact O-N 3.08Å; F1853-E1856 PolarHBondContact O-N 3.44Å; E1856-L1860 WeakPolarHBondContact O-CA 3.5Å; E1856-L1860 PolarHBondContact O-N 2.65Å; E1856-K1861 WeakPolarHBondContact CA-O 3.09Å |
| 1857 | M | 90.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.8 | -48.7 | 179.8 | -67.7 | -154.8 | -58.6 | 0 | 0 | 113.3 | L1736 L1750 I1755 T1758 A1759 F1853 L1854 Y1855 L1860 | L1736-M1857 HydrophobicContact CD2-SD 4.17Å; L1750-M1857 HydrophobicContact CD1-CB 4.47Å; I1755-M1857 HydrophobicContact CB-CE 4.5Å; I1755-M1857 HydrophobicContact CG2-CE 4.03Å; T1758-M1857 HydrophobicContact CG2-CE 4.23Å; T1758-M1857 HydrophobicContact CG2-SD 3.49Å; T1758-M1857 WeakPolarHBondContact CG2-SD 3.22Å; A1759-M1857 HydrophobicContact CB-CE 4.45Å; F1853-M1857 HydrophobicContact CE1-CE 3.92Å; F1853-M1857 HydrophobicContact CE1-CG 4.42Å; F1853-M1857 HydrophobicContact CE1-SD 3.85Å; F1853-M1857 HydrophobicContact CE2-CG 4.1Å; F1853-M1857 HydrophobicContact CE2-SD 4.18Å; F1853-M1857 HydrophobicContact CZ-CE 4.25Å; F1853-M1857 HydrophobicContact CZ-CG 4.05Å; F1853-M1857 HydrophobicContact CZ-SD 3.55Å; F1853-M1857 VanDerWaalsContact CZ-SD 3.55Å; F1853-M1857 WeakPolarHBondContact O-CG 3.41Å; F1853-M1857 PolarHBondContact O-N 3.24Å; F1853-M1857 VanDerWaalsContact O-N 3.08Å; L1854-M1857 HydrophobicContact CD2-CE 4.05Å; L1854-M1857 PolarHBondContact O-N 2.76Å; Y1855-M1857 VanDerWaalsContact C-N 3.3Å; Y1855-M1857 PolarHBondContact O-N 2.88Å; M1857-L1860 WeakPolarHBondContact O-CD2 3.39Å |
| 1858 | Y | 86.8 | Confident | 85.4 | Confident | 14 Ų | 14 | 32 Ų | 32 | 6% | 0.055 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -77.3 | -37.3 | -175.4 | 92.7 | -98.6 | 0 | 0 | 0 | 112.4 | L1854 Y1855 D1886 Y1889 F1893 M1897 | L1854-Y1858 PolarHBondContact O-N 3.46Å; Y1855-Y1858 AromaticContact CD2-CE1 3.71Å; Y1855-Y1858 HydrophobicContact CD2-CE1 3.71Å; Y1855-Y1858 HydrophobicContact CE2-CE1 4.24Å; Y1855-Y1858 WeakPolarHBondContact CE2-OH 3.29Å; Y1855-Y1858 HydrophobicContact CG-CE1 4.33Å; Y1858-D1886 HydrophobicContact CE2-CB 3.62Å; Y1858-Y1889 HydrophobicContact CD2-CD2 4.05Å; Y1858-Y1889 AromaticContact CD2-CE2 3.77Å; Y1858-Y1889 HydrophobicContact CD2-CE2 3.77Å; Y1858-Y1889 HydrophobicContact CG-CE2 4.42Å; Y1858-F1893 AromaticContact CD1-CE1 3.89Å; Y1858-F1893 HydrophobicContact CD1-CE1 3.89Å; Y1858-F1893 AromaticContact CD1-CZ 3.71Å; Y1858-F1893 HydrophobicContact CD1-CZ 3.71Å; Y1858-F1893 HydrophobicContact CG-CE1 4.11Å; Y1858-F1893 HydrophobicContact CG-CZ 4.09Å; Y1858-M1897 HydrophobicContact CD1-SD 4.29Å; Y1858-M1897 HydrophobicContact CE1-CE 3.89Å; Y1858-M1897 HydrophobicContact CE1-SD 3.74Å |
| 1859 | T | 86.6 | Confident | 84.3 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 10% | 0.104 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -80.5 | -17.8 | -179.3 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | Y1855 K1861 | Y1855-T1859 HydrophobicContact CD1-CG2 4.22Å; Y1855-T1859 HydrophobicContact CD2-CG2 4.1Å; Y1855-T1859 HydrophobicContact CE1-CG2 3.89Å; Y1855-T1859 HydrophobicContact CE2-CG2 3.74Å; Y1855-T1859 HydrophobicContact CG-CG2 4.32Å; Y1855-T1859 WeakPolarHBondContact O-CB 3.23Å; Y1855-T1859 WeakPolarHBondContact O-CG2 3.37Å; Y1855-T1859 PolarHBondContact O-N 2.71Å; Y1855-T1859 VanDerWaalsContact O-N 3.13Å; Y1855-T1859 PolarHBondContact O-OG1 3.3Å; T1859-K1861 WeakPolarHBondContact O-CG 3.28Å; T1859-K1861 PolarHBondContact O-N 3.21Å; T1859-K1861 VanDerWaalsContact O-N 3.15Å; T1859-K1861 WeakPolarHBondContact OG1-CB 3.06Å; T1859-K1861 PolarHBondContact OG1-N 3.16Å; T1859-K1861 VanDerWaalsContact OG1-N 3.09Å; T1859-K1861 PolarHBondContact OG1-O 2.83Å |
| 1860 | L | 86.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 14% | 0.141 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 53.3 | 25.1 | -165.8 | -50.2 | 174.5 | 0 | 0 | 0 | 112.9 | L1740 K1744 L1750 E1856 M1857 | L1740-L1860 HydrophobicContact CB-CD2 4.09Å; L1740-L1860 HydrophobicContact CD2-CD2 3.78Å; L1740-L1860 HydrophobicContact CG-CD2 4.43Å; K1744-L1860 HydrophobicContact CB-CB 4.1Å; K1744-L1860 HydrophobicContact CB-CD1 4.21Å; K1744-L1860 HydrophobicContact CD-CB 4.48Å; K1744-L1860 VanDerWaalsContact CD-O 3.3Å; K1744-L1860 WeakPolarHBondContact CD-O 3.31Å; K1744-L1860 WeakPolarHBondContact CE-O 3.32Å; K1744-L1860 HydrophobicContact CG-CB 4.32Å; K1744-L1860 PolarHBondContact NZ-O 3.38Å; L1750-L1860 HydrophobicContact CD1-CD2 4.45Å; L1750-L1860 HydrophobicContact CG-CD2 4.42Å; E1856-L1860 WeakPolarHBondContact O-CA 3.5Å; E1856-L1860 PolarHBondContact O-N 2.65Å; M1857-L1860 WeakPolarHBondContact O-CD2 3.39Å |
| 1861 | K | 85.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 39.7 Ų | 39.7 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -123.1 | 154.6 | -177 | -69.5 | 162.7 | -169.1 | 169.1 | 0 | 110.5 | E1856 T1859 E1865 | E1856-K1861 WeakPolarHBondContact CA-O 3.09Å; T1859-K1861 WeakPolarHBondContact O-CG 3.28Å; T1859-K1861 PolarHBondContact O-N 3.21Å; T1859-K1861 VanDerWaalsContact O-N 3.15Å; T1859-K1861 WeakPolarHBondContact OG1-CB 3.06Å; T1859-K1861 PolarHBondContact OG1-N 3.16Å; T1859-K1861 VanDerWaalsContact OG1-N 3.09Å; T1859-K1861 PolarHBondContact OG1-O 2.83Å; K1861-E1865 WeakPolarHBondContact CA-OE2 3.49Å; K1861-E1865 VanDerWaalsContact CB-OE2 3.28Å; K1861-E1865 WeakPolarHBondContact CB-OE2 3.1Å |
| 1862 | M | 82.1 | Confident | 81.4 | Confident | 59 Ų | 59 | 43.1 Ų | 43.1 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | trans | -66.4 | 141.8 | 170.5 | -76 | -85.2 | -77 | 0 | 0 | 110 | R1737 F1827 F1864 E1865 | R1737-M1862 VanDerWaalsContact CZ-SD 3.53Å; R1737-M1862 PolarHBondContact NH1-SD 3.35Å; R1737-M1862 PolarHBondContact NH2-SD 3.1Å; F1827-M1862 HydrophobicContact CE2-SD 4.41Å; M1862-F1864 PolarHBondContact O-N 3.12Å; M1862-E1865 HydrophobicContact CB-CB 3.95Å; M1862-E1865 HydrophobicContact CB-CG 4.21Å; M1862-E1865 PolarHBondContact N-OE2 2.81Å; M1862-E1865 WeakPolarHBondContact O-CB 3.45Å; M1862-E1865 PolarHBondContact O-N 2.93Å | ||
| 1863 | P | 83.6 | Confident | 80.6 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 127.8 | 163.2 | -24.6 | 34.6 | 0 | 0 | 0 | 109.6 | F1827 M1852 Y1855 E1865 P1880 | F1827-P1863 HydrophobicContact CD1-CG 4.45Å; F1827-P1863 HydrophobicContact CE1-CG 3.85Å; F1827-P1863 HydrophobicContact CE2-CG 4.05Å; F1827-P1863 HydrophobicContact CZ-CG 3.63Å; M1852-P1863 HydrophobicContact CB-CB 4.39Å; M1852-P1863 HydrophobicContact CB-CG 3.93Å; M1852-P1863 WeakPolarHBondContact O-CG 3.45Å; M1852-P1863 HydrophobicContact SD-CB 4Å; M1852-P1863 HydrophobicContact SD-CG 4.46Å; Y1855-P1863 HydrophobicContact CD1-CG 4.44Å; P1863-E1865 VanDerWaalsContact C-N 3.29Å; P1863-E1865 PolarHBondContact O-N 2.82Å; P1863-P1880 HydrophobicContact CB-CG 4.4Å |
| 1864 | F | 83.5 | Confident | 80 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 26.9 | -177.8 | -42.7 | -85.9 | 0 | 0 | 0 | 115 | G1826 M1852 M1862 G1866 H1867 V1870 F1873 I1874 P1880 | G1826-F1864 WeakPolarHBondContact O-CE2 3.43Å; M1852-F1864 HydrophobicContact CE-CE2 3.8Å; M1852-F1864 HydrophobicContact CE-CZ 3.77Å; M1852-F1864 HydrophobicContact SD-CE2 4.05Å; M1852-F1864 HydrophobicContact SD-CZ 4.45Å; M1862-F1864 PolarHBondContact O-N 3.12Å; F1864-G1866 PolarHBondContact O-N 2.9Å; F1864-G1866 VanDerWaalsContact O-N 3.1Å; F1864-H1867 HydrophobicContact CB-CB 4.14Å; F1864-H1867 PolarHBondContact O-N 2.72Å; F1864-V1870 HydrophobicContact CB-CG1 4.02Å; F1864-V1870 HydrophobicContact CB-CG2 4Å; F1864-V1870 HydrophobicContact CD1-CG1 4.5Å; F1864-V1870 HydrophobicContact CD2-CG1 3.77Å; F1864-V1870 HydrophobicContact CE2-CG1 4.36Å; F1864-V1870 HydrophobicContact CG-CG1 3.85Å; F1864-F1873 AromaticContact CD1-CD1 3.67Å; F1864-F1873 HydrophobicContact CD1-CD1 3.67Å; F1864-F1873 AromaticContact CD1-CE1 3.83Å; F1864-F1873 HydrophobicContact CD1-CE1 3.83Å; F1864-F1873 AromaticContact CE1-CD1 3.58Å; F1864-F1873 HydrophobicContact CE1-CD1 3.58Å; F1864-F1873 AromaticContact CE1-CE1 3.7Å; F1864-F1873 HydrophobicContact CE1-CE1 3.7Å; F1864-I1874 HydrophobicContact CD2-CD1 4.44Å; F1864-I1874 HydrophobicContact CE1-CG1 4.26Å; F1864-I1874 HydrophobicContact CE2-CD1 3.76Å; F1864-I1874 HydrophobicContact CE2-CG1 3.97Å; F1864-I1874 HydrophobicContact CZ-CD1 4Å; F1864-I1874 HydrophobicContact CZ-CG1 3.65Å; F1864-P1880 HydrophobicContact CD1-CG 4.3Å; F1864-P1880 HydrophobicContact CD2-CG 4.41Å; F1864-P1880 HydrophobicContact CE1-CG 4Å; F1864-P1880 HydrophobicContact CE2-CG 4.09Å; F1864-P1880 HydrophobicContact CZ-CG 3.89Å |
| 1865 | E | 74.6 | Confident | 79.3 | Confident | 111 Ų | 111 | 49.7 Ų | 49.7 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 115.9 | 174.7 | -159.4 | 168.9 | 158.2 | 0 | 0 | 110.9 | K1744 K1861 M1862 P1863 | K1744-E1865 IonicContact NZ-OE1 3.66Å; K1744-E1865 IonicContact NZ-OE2 2.63Å; K1861-E1865 WeakPolarHBondContact CA-OE2 3.49Å; K1861-E1865 VanDerWaalsContact CB-OE2 3.28Å; K1861-E1865 WeakPolarHBondContact CB-OE2 3.1Å; M1862-E1865 HydrophobicContact CB-CB 3.95Å; M1862-E1865 HydrophobicContact CB-CG 4.21Å; M1862-E1865 PolarHBondContact N-OE2 2.81Å; M1862-E1865 WeakPolarHBondContact O-CB 3.45Å; M1862-E1865 PolarHBondContact O-N 2.93Å; P1863-E1865 VanDerWaalsContact C-N 3.29Å; P1863-E1865 PolarHBondContact O-N 2.82Å |
| 1866 | G | 65.5 | Low | 78.7 | Confident | 71 Ų | 71 | 55 Ų | 55 | 73% | 0.732 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 5.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | F1864 | F1864-G1866 PolarHBondContact O-N 2.9Å; F1864-G1866 VanDerWaalsContact O-N 3.1Å |
| 1867 | H | 66.1 | Low | 78 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | trans | -90.3 | 134.3 | 168.7 | -78.6 | -112 | 0 | 0 | 0 | 112.1 | F1864 V1870 | F1864-H1867 HydrophobicContact CB-CB 4.14Å; F1864-H1867 PolarHBondContact O-N 2.72Å; H1867-V1870 HydrophobicContact CB-CG2 4.11Å; H1867-V1870 WeakPolarHBondContact O-CG2 3.11Å | ||
| 1868 | E | 56 | Low | 77.5 | Confident | 134 Ų | 134 | 57 Ų | 57 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -86.3 | 155.3 | 165.2 | -63.4 | -179.7 | 168.7 | 0 | 0 | 110.3 | V1870 | E1868-V1870 VanDerWaalsContact C-N 3.3Å; E1868-V1870 PolarHBondContact O-N 3.04Å |
| 1869 | Q | 72.2 | Confident | 77.5 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 57.9 | 32.3 | 175.1 | -46.2 | -168 | 10.7 | 0 | 0 | 115.5 | T789 K1871 E1872 | T789-Q1869 PolarHBondContact OG1-NE2 2.88Å; T789-Q1869 VanDerWaalsContact OG1-NE2 3.13Å; Q1869-K1871 PolarHBondContact O-N 3.2Å; Q1869-E1872 PolarHBondContact O-N 3.08Å |
| 1870 | V | 77.2 | Confident | 77.2 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -41.8 | -38.8 | -176.4 | 179.5 | 0 | 0 | 0 | 0 | 115 | F1864 H1867 E1868 E1872 F1873 I1874 | F1864-V1870 HydrophobicContact CB-CG1 4.02Å; F1864-V1870 HydrophobicContact CB-CG2 4Å; F1864-V1870 HydrophobicContact CD1-CG1 4.5Å; F1864-V1870 HydrophobicContact CD2-CG1 3.77Å; F1864-V1870 HydrophobicContact CE2-CG1 4.36Å; F1864-V1870 HydrophobicContact CG-CG1 3.85Å; H1867-V1870 HydrophobicContact CB-CG2 4.11Å; H1867-V1870 WeakPolarHBondContact O-CG2 3.11Å; E1868-V1870 VanDerWaalsContact C-N 3.3Å; E1868-V1870 PolarHBondContact O-N 3.04Å; V1870-E1872 PolarHBondContact O-N 3.33Å; V1870-F1873 PolarHBondContact O-N 2.7Å; V1870-I1874 HydrophobicContact CG1-CD1 3.76Å; V1870-I1874 HydrophobicContact CG1-CG1 4.28Å; V1870-I1874 WeakPolarHBondContact O-CG1 3.27Å; V1870-I1874 PolarHBondContact O-N 3.06Å |
| 1871 | K | 75.4 | Confident | 76.7 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 30% | 0.3 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 177.7 | -76.2 | 176.9 | 179.4 | 146.7 | 0 | 113.3 | E1825 I1833 Q1869 L1875 | E1825-K1871 WeakPolarHBondContact OE1-CE 3.48Å; E1825-K1871 IonicContact OE1-NZ 3.6Å; E1825-K1871 PolarHBondContact OE1-NZ 3.11Å; E1825-K1871 WeakPolarHBondContact OE2-CE 3.47Å; E1825-K1871 IonicContact OE2-NZ 2.64Å; E1825-K1871 PolarHBondContact OE2-NZ 2.86Å; I1833-K1871 HydrophobicContact CG2-CB 3.83Å; I1833-K1871 HydrophobicContact CG2-CD 4.17Å; I1833-K1871 HydrophobicContact CG2-CG 3.83Å; Q1869-K1871 PolarHBondContact O-N 3.2Å; K1871-L1875 VanDerWaalsContact O-CG 3.25Å; K1871-L1875 WeakPolarHBondContact O-CG 3.21Å; K1871-L1875 PolarHBondContact O-N 3.05Å; K1871-L1875 VanDerWaalsContact O-N 3.08Å |
| 1872 | E | 70.8 | Confident | 76.1 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 179.6 | -63.6 | -149.2 | 126.9 | 0 | 0 | 111.2 | W812 Q1869 V1870 I1874 L1875 D1876 | W812-E1872 VanDerWaalsContact CD1-OE1 3.24Å; W812-E1872 PolarHBondContact NE1-OE1 3.49Å; W812-E1872 PolarHBondContact NE1-OE2 2.95Å; Q1869-E1872 PolarHBondContact O-N 3.08Å; V1870-E1872 PolarHBondContact O-N 3.33Å; E1872-I1874 VanDerWaalsContact C-N 3.31Å; E1872-I1874 PolarHBondContact O-N 3.41Å; E1872-L1875 PolarHBondContact O-N 2.67Å; E1872-D1876 PolarHBondContact O-N 2.75Å |
| 1873 | F | 78.3 | Confident | 75.5 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -43 | 175.8 | -171 | -117.6 | 0 | 0 | 0 | 111.7 | F1864 V1870 G1877 G1878 | F1864-F1873 AromaticContact CD1-CD1 3.67Å; F1864-F1873 HydrophobicContact CD1-CD1 3.67Å; F1864-F1873 AromaticContact CD1-CE1 3.83Å; F1864-F1873 HydrophobicContact CD1-CE1 3.83Å; F1864-F1873 AromaticContact CE1-CD1 3.58Å; F1864-F1873 HydrophobicContact CE1-CD1 3.58Å; F1864-F1873 AromaticContact CE1-CE1 3.7Å; F1864-F1873 HydrophobicContact CE1-CE1 3.7Å; V1870-F1873 PolarHBondContact O-N 2.7Å; F1873-G1877 PolarHBondContact O-N 2.81Å; F1873-G1878 WeakPolarHBondContact O-CA 3.23Å; F1873-G1878 PolarHBondContact O-N 2.63Å |
| 1874 | I | 82.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 173.8 | -69.2 | 171.6 | 0 | 0 | 0 | 111.7 | P1830 I1833 F1864 V1870 E1872 G1877 Q1903 | P1830-I1874 HydrophobicContact CB-CG2 4.29Å; P1830-I1874 HydrophobicContact CG-CG2 3.8Å; I1833-I1874 HydrophobicContact CD1-CB 4.17Å; I1833-I1874 HydrophobicContact CD1-CD1 4.15Å; I1833-I1874 HydrophobicContact CD1-CG2 3.76Å; F1864-I1874 HydrophobicContact CD2-CD1 4.44Å; F1864-I1874 HydrophobicContact CE1-CG1 4.26Å; F1864-I1874 HydrophobicContact CE2-CD1 3.76Å; F1864-I1874 HydrophobicContact CE2-CG1 3.97Å; F1864-I1874 HydrophobicContact CZ-CD1 4Å; F1864-I1874 HydrophobicContact CZ-CG1 3.65Å; V1870-I1874 HydrophobicContact CG1-CD1 3.76Å; V1870-I1874 HydrophobicContact CG1-CG1 4.28Å; V1870-I1874 WeakPolarHBondContact O-CG1 3.27Å; V1870-I1874 PolarHBondContact O-N 3.06Å; E1872-I1874 VanDerWaalsContact C-N 3.31Å; E1872-I1874 PolarHBondContact O-N 3.41Å; I1874-G1877 PolarHBondContact O-N 2.89Å; I1874-Q1903 PolarHBondContact O-NE2 2.89Å; I1874-Q1903 PolarHBondContact O-OE1 2.91Å |
| 1875 | L | 79.4 | Confident | 73.5 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 179.9 | -72.8 | 173.6 | 0 | 0 | 0 | 113.5 | I1833 R1834 K1871 E1872 G1877 Q1903 | I1833-L1875 HydrophobicContact CB-CD2 4.3Å; I1833-L1875 HydrophobicContact CG2-CD1 3.95Å; I1833-L1875 HydrophobicContact CG2-CD2 4.24Å; I1833-L1875 HydrophobicContact CG2-CG 4.04Å; R1834-L1875 HydrophobicContact CB-CD2 3.53Å; R1834-L1875 HydrophobicContact CG-CD2 4.16Å; K1871-L1875 VanDerWaalsContact O-CG 3.25Å; K1871-L1875 WeakPolarHBondContact O-CG 3.21Å; K1871-L1875 PolarHBondContact O-N 3.05Å; K1871-L1875 VanDerWaalsContact O-N 3.08Å; E1872-L1875 PolarHBondContact O-N 2.67Å; L1875-G1877 PolarHBondContact O-N 3.44Å; L1875-Q1903 PolarHBondContact O-NE2 3.4Å |
| 1876 | D | 78 | Confident | 73.2 | Confident | 132 Ų | 132 | 58 Ų | 58 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -74.2 | -9 | 173.4 | -87.9 | 1.3 | 0 | 0 | 0 | 112.6 | E1872 | E1872-D1876 PolarHBondContact O-N 2.75Å |
| 1877 | G | 78.8 | Confident | 73.2 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | 0.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F1873 I1874 L1875 R1879 | F1873-G1877 PolarHBondContact O-N 2.81Å; I1874-G1877 PolarHBondContact O-N 2.89Å; L1875-G1877 PolarHBondContact O-N 3.44Å; G1877-R1879 PolarHBondContact O-NH1 3.32Å |
| 1878 | G | 78.4 | Confident | 73.2 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | trans | -60.4 | 148.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1873 | F1873-G1878 WeakPolarHBondContact O-CA 3.23Å; F1873-G1878 PolarHBondContact O-N 2.63Å | ||
| 1879 | R | 86.5 | Confident | 74.1 | Confident | 32 Ų | 32 | 51 Ų | 51 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | trans | -135.6 | 162.4 | -176.9 | -67.5 | -60.3 | 178.5 | -88.8 | -3.8 | 111.4 | L543 G1877 W1901 | L543-R1879 HydrophobicContact CD2-CB 4.07Å; G1877-R1879 PolarHBondContact O-NH1 3.32Å; R1879-W1901 HydrophobicContact CB-CZ2 4.39Å; R1879-W1901 HydrophobicContact CG-CD2 4.46Å; R1879-W1901 HydrophobicContact CG-CG 4.39Å; R1879-W1901 PolarHBondContact NE-O 3.19Å; R1879-W1901 PolarHBondContact NH2-O 3.43Å | ||
| 1880 | P | 81.4 | Confident | 74.3 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | trans | -61.5 | 135.2 | 170.9 | -18.9 | 33.7 | 0 | 0 | 0 | 110 | L543 M1852 Y1855 P1863 F1864 W1901 | L543-P1880 VanDerWaalsContact CD2-O 3.3Å; L543-P1880 WeakPolarHBondContact CD2-O 3.45Å; M1852-P1880 HydrophobicContact CE-CG 4.45Å; M1852-P1880 HydrophobicContact SD-CG 3.94Å; Y1855-P1880 HydrophobicContact CD1-CB 4.03Å; Y1855-P1880 HydrophobicContact CD1-CG 4.33Å; Y1855-P1880 HydrophobicContact CD2-CB 3.91Å; Y1855-P1880 HydrophobicContact CE1-CB 3.58Å; Y1855-P1880 HydrophobicContact CE1-CG 4.3Å; Y1855-P1880 HydrophobicContact CE2-CB 3.46Å; Y1855-P1880 VanDerWaalsContact CE2-CB 3.46Å; Y1855-P1880 HydrophobicContact CE2-CG 4.5Å; Y1855-P1880 HydrophobicContact CG-CB 4.18Å; Y1855-P1880 HydrophobicContact CG-CG 4.44Å; P1863-P1880 HydrophobicContact CB-CG 4.4Å; F1864-P1880 HydrophobicContact CD1-CG 4.3Å; F1864-P1880 HydrophobicContact CD2-CG 4.41Å; F1864-P1880 HydrophobicContact CE1-CG 4Å; F1864-P1880 HydrophobicContact CE2-CG 4.09Å; F1864-P1880 HydrophobicContact CZ-CG 3.89Å; P1880-W1901 HydrophobicContact CB-CZ3 4.46Å; P1880-W1901 HydrophobicContact CG-CZ3 4.06Å | ||
| 1881 | A | 75.4 | Confident | 74.4 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | trans | -73 | 152.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q545 Y1855 | Q545-A1881 HydrophobicContact CG-CB 4.3Å; Y1855-A1881 WeakPolarHBondContact CE2-O 3.13Å; Y1855-A1881 PolarHBondContact OH-O 3.22Å | ||
| 1882 | I | 74 | Confident | 74.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.5 | 174.8 | -58.9 | 176.2 | 0 | 0 | 0 | 106.9 | L543 Q545 D1886 T1887 M1897 | L543-I1882 HydrophobicContact CD1-CD1 4.12Å; L543-I1882 HydrophobicContact CD2-CG1 4.44Å; L543-I1882 PolarHBondContact O-N 3.03Å; L543-I1882 VanDerWaalsContact O-O 3.14Å; Q545-I1882 PolarHBondContact N-O 3.25Å; I1882-D1886 HydrophobicContact CG2-CB 3.73Å; I1882-T1887 HydrophobicContact CG2-CG2 4.16Å; I1882-M1897 HydrophobicContact CD1-CE 3.92Å; I1882-M1897 HydrophobicContact CG1-CE 4.45Å |
| 1883 | N | 68 | Low | 75.4 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 160.6 | 179 | -53.7 | -79.4 | 0 | 0 | 0 | 110.6 | K1885 D1886 T1887 | N1883-K1885 PolarHBondContact O-N 3.11Å; N1883-K1885 VanDerWaalsContact O-N 3.14Å; N1883-D1886 VanDerWaalsContact CB-OD2 3.3Å; N1883-D1886 WeakPolarHBondContact CB-OD2 3.26Å; N1883-D1886 PolarHBondContact N-OD2 3.02Å; N1883-D1886 PolarHBondContact ND2-OD2 2.69Å; N1883-D1886 WeakPolarHBondContact O-CA 3.47Å; N1883-D1886 VanDerWaalsContact O-CB 3.28Å; N1883-D1886 WeakPolarHBondContact O-CB 3.48Å; N1883-D1886 PolarHBondContact O-N 3.43Å; N1883-T1887 PolarHBondContact O-N 3.43Å |
| 1884 | V | 62.9 | Low | 75.8 | Confident | 77 Ų | 77 | 38.4 Ų | 38.4 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.9 | 175.7 | -174 | 0 | 0 | 0 | 0 | 113 | T1887 | V1884-T1887 PolarHBondContact O-OG1 2.96Š|
| 1885 | K | 63.4 | Low | 76 | Confident | 145 Ų | 145 | 39.5 Ų | 39.5 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.9 | 169.2 | -66.3 | -168.5 | 175.9 | -168.2 | 0 | 113.3 | N1883 T1887 L1888 | N1883-K1885 PolarHBondContact O-N 3.11Å; N1883-K1885 VanDerWaalsContact O-N 3.14Å; K1885-T1887 VanDerWaalsContact C-N 3.33Å; K1885-L1888 WeakPolarHBondContact O-CG 3.45Å |
| 1886 | D | 68.3 | Low | 76.5 | Confident | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -83.1 | -17.7 | -174.2 | -53.7 | -16.7 | 0 | 0 | 0 | 111.2 | Y1858 I1882 N1883 L1888 Y1889 | Y1858-D1886 HydrophobicContact CE2-CB 3.62Å; I1882-D1886 HydrophobicContact CG2-CB 3.73Å; N1883-D1886 VanDerWaalsContact CB-OD2 3.3Å; N1883-D1886 WeakPolarHBondContact CB-OD2 3.26Å; N1883-D1886 PolarHBondContact N-OD2 3.02Å; N1883-D1886 PolarHBondContact ND2-OD2 2.69Å; N1883-D1886 WeakPolarHBondContact O-CA 3.47Å; N1883-D1886 VanDerWaalsContact O-CB 3.28Å; N1883-D1886 WeakPolarHBondContact O-CB 3.48Å; N1883-D1886 PolarHBondContact O-N 3.43Å; D1886-L1888 PolarHBondContact O-N 2.77Å; D1886-Y1889 PolarHBondContact O-N 2.79Å |
| 1887 | T | 66 | Low | 77.1 | Confident | 34 Ų | 34 | 30.5 Ų | 30.5 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -74.9 | -2.2 | 175.4 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | W537 L544 I1882 N1883 V1884 K1885 Y1889 | W537-T1887 HydrophobicContact CE3-CG2 4.26Å; W537-T1887 HydrophobicContact CH2-CG2 3.22Å; W537-T1887 HydrophobicContact CZ2-CG2 4.1Å; W537-T1887 HydrophobicContact CZ3-CG2 3.3Å; L544-T1887 HydrophobicContact CD2-CG2 3.85Å; I1882-T1887 HydrophobicContact CG2-CG2 4.16Å; N1883-T1887 PolarHBondContact O-N 3.43Å; V1884-T1887 PolarHBondContact O-OG1 2.96Å; K1885-T1887 VanDerWaalsContact C-N 3.33Å; T1887-Y1889 VanDerWaalsContact C-N 3.27Å |
| 1888 | L | 66.1 | Low | 77.5 | Confident | 80 Ų | 80 | 29.5 Ų | 29.5 | 42% | 0.419 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -82.2 | -5.8 | 173.7 | -52 | 176.6 | 0 | 0 | 0 | 112.2 | K1885 D1886 H1979 | K1885-L1888 WeakPolarHBondContact O-CG 3.45Å; D1886-L1888 PolarHBondContact O-N 2.77Å; L1888-H1979 HydrophobicContact CD2-CB 3.79Å |
| 1889 | Y | 74.6 | Confident | 78.1 | Confident | 39 Ų | 39 | 33.2 Ų | 33.2 | 15% | 0.153 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -78.1 | 149.5 | 169.5 | -81.2 | -88.8 | 0 | 0 | 0 | 111.1 | I1755 Y1858 D1886 T1887 S1891 F1893 | I1755-Y1889 HydrophobicContact CD1-CE1 3.82Å; Y1858-Y1889 HydrophobicContact CD2-CD2 4.05Å; Y1858-Y1889 AromaticContact CD2-CE2 3.77Å; Y1858-Y1889 HydrophobicContact CD2-CE2 3.77Å; Y1858-Y1889 HydrophobicContact CG-CE2 4.42Å; D1886-Y1889 PolarHBondContact O-N 2.79Å; T1887-Y1889 VanDerWaalsContact C-N 3.27Å; Y1889-S1891 PolarHBondContact O-N 3.35Å; Y1889-F1893 HydrophobicContact CD1-CD1 4.37Å; Y1889-F1893 HydrophobicContact CD1-CE1 4.26Å; Y1889-F1893 HydrophobicContact CG-CD1 4.39Å; Y1889-F1893 HydrophobicContact CG-CE1 4.28Å |
| 1890 | P | 76.6 | Confident | 78.4 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | trans | -48.3 | 129.6 | -179 | -30.3 | 35.3 | 0 | 0 | 0 | 113.8 | N1892 F1893 L1894 L1927 | P1890-N1892 PolarHBondContact O-N 3.09Å; P1890-N1892 VanDerWaalsContact O-N 3.13Å; P1890-F1893 WeakPolarHBondContact O-CB 3.5Å; P1890-F1893 PolarHBondContact O-N 2.85Å; P1890-L1894 PolarHBondContact O-N 3.32Å; P1890-L1927 HydrophobicContact CG-CD2 4.4Å | ||
| 1891 | S | 77.7 | Confident | 78.9 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -46.3 | -45.2 | -178.2 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | Y1889 F1893 L1894 D1895 L1926 L1927 | Y1889-S1891 PolarHBondContact O-N 3.35Å; S1891-F1893 PolarHBondContact O-N 3.46Å; S1891-L1894 PolarHBondContact O-N 3.02Å; S1891-D1895 PolarHBondContact O-N 3.41Å; S1891-L1926 PolarHBondContact N-O 3.24Å; S1891-L1926 PolarHBondContact OG-O 2.91Å; S1891-L1926 VanDerWaalsContact OG-O 3.11Å; S1891-L1927 WeakPolarHBondContact CB-O 3.33Å; S1891-L1927 PolarHBondContact N-O 3.16Å; S1891-L1927 PolarHBondContact OG-O 3.27Å |
| 1892 | N | 81.7 | Confident | 79.6 | Confident | 37 Ų | 37 | 31.9 Ų | 31.9 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | -178.3 | -164.4 | 11.6 | 0 | 0 | 0 | 112.9 | P1890 D1895 I1896 E1922 | P1890-N1892 PolarHBondContact O-N 3.09Å; P1890-N1892 VanDerWaalsContact O-N 3.13Å; N1892-D1895 PolarHBondContact O-N 2.88Å; N1892-I1896 WeakPolarHBondContact O-CB 3.11Å; N1892-I1896 WeakPolarHBondContact O-CD1 3.44Å; N1892-I1896 WeakPolarHBondContact O-CG1 3.42Å; N1892-I1896 PolarHBondContact O-N 3.11Å; N1892-E1922 WeakPolarHBondContact CB-O 3.34Å; N1892-E1922 WeakPolarHBondContact ND2-CB 3.4Å; N1892-E1922 PolarHBondContact ND2-O 2.78Å |
| 1893 | F | 86.5 | Confident | 80.2 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 174 | 158.5 | -100.9 | 0 | 0 | 0 | 111.6 | I1755 L1854 Y1858 Y1889 P1890 S1891 I1896 M1897 F1923 | I1755-F1893 HydrophobicContact CG2-CD2 4.25Å; I1755-F1893 HydrophobicContact CG2-CE2 3.81Å; I1755-F1893 HydrophobicContact CG2-CZ 4.46Å; L1854-F1893 HydrophobicContact CB-CE2 4Å; L1854-F1893 HydrophobicContact CB-CZ 4.43Å; L1854-F1893 HydrophobicContact CD1-CD2 4.5Å; L1854-F1893 HydrophobicContact CD1-CE2 4.26Å; L1854-F1893 HydrophobicContact CD2-CE2 4.23Å; L1854-F1893 HydrophobicContact CG-CE2 4.38Å; Y1858-F1893 AromaticContact CD1-CE1 3.89Å; Y1858-F1893 HydrophobicContact CD1-CE1 3.89Å; Y1858-F1893 AromaticContact CD1-CZ 3.71Å; Y1858-F1893 HydrophobicContact CD1-CZ 3.71Å; Y1858-F1893 HydrophobicContact CG-CE1 4.11Å; Y1858-F1893 HydrophobicContact CG-CZ 4.09Å; Y1889-F1893 HydrophobicContact CD1-CD1 4.37Å; Y1889-F1893 HydrophobicContact CD1-CE1 4.26Å; Y1889-F1893 HydrophobicContact CG-CD1 4.39Å; Y1889-F1893 HydrophobicContact CG-CE1 4.28Å; P1890-F1893 WeakPolarHBondContact O-CB 3.5Å; P1890-F1893 PolarHBondContact O-N 2.85Å; S1891-F1893 PolarHBondContact O-N 3.46Å; F1893-I1896 PolarHBondContact O-N 3.45Å; F1893-M1897 PolarHBondContact O-N 2.91Å; F1893-F1923 HydrophobicContact CB-CE2 4.49Å; F1893-F1923 HydrophobicContact CB-CZ 4.42Å; F1893-F1923 HydrophobicContact CD2-CE1 4.14Å; F1893-F1923 HydrophobicContact CD2-CE2 4.13Å; F1893-F1923 AromaticContact CD2-CZ 3.6Å; F1893-F1923 HydrophobicContact CD2-CZ 3.6Å; F1893-F1923 HydrophobicContact CE2-CZ 4.4Å; F1893-F1923 HydrophobicContact CG-CZ 4.47Å |
| 1894 | L | 85.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 178.2 | -64.5 | 175.5 | 0 | 0 | 0 | 111.3 | W537 P1890 S1891 M1897 V1898 | W537-L1894 HydrophobicContact CB-CB 4.27Å; W537-L1894 HydrophobicContact CD2-CD1 4.14Å; W537-L1894 HydrophobicContact CG-CB 3.82Å; W537-L1894 HydrophobicContact CG-CD1 4.31Å; W537-L1894 HydrophobicContact CZ2-CD1 4.13Å; P1890-L1894 PolarHBondContact O-N 3.32Å; S1891-L1894 PolarHBondContact O-N 3.02Å; L1894-M1897 HydrophobicContact CD2-CE 3.87Å; L1894-M1897 PolarHBondContact O-N 2.74Å; L1894-V1898 WeakPolarHBondContact O-CB 3.49Å; L1894-V1898 WeakPolarHBondContact O-CG2 3.42Å; L1894-V1898 PolarHBondContact O-N 3.02Å |
| 1895 | D | 85.9 | Confident | 82 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 176.3 | -91.4 | 19.9 | 0 | 0 | 0 | 112.8 | L536 W537 S1891 N1892 V1898 K1899 | L536-D1895 WeakPolarHBondContact CA-OD1 3.5Å; L536-D1895 HydrophobicContact CB-CB 4.46Å; L536-D1895 WeakPolarHBondContact CB-OD1 3.41Å; L536-D1895 WeakPolarHBondContact CB-OD2 3.39Å; L536-D1895 HydrophobicContact CD1-CB 4.42Å; L536-D1895 WeakPolarHBondContact CG-OD2 3.4Å; L536-D1895 PolarHBondContact N-OD1 3.37Å; L536-D1895 PolarHBondContact N-OD2 2.99Å; W537-D1895 PolarHBondContact N-OD1 2.85Å; S1891-D1895 PolarHBondContact O-N 3.41Å; N1892-D1895 PolarHBondContact O-N 2.88Å; D1895-V1898 PolarHBondContact O-N 3.46Å; D1895-K1899 VanDerWaalsContact O-CB 3.24Å; D1895-K1899 WeakPolarHBondContact O-CB 3.41Å; D1895-K1899 PolarHBondContact O-N 3.43Å |
| 1896 | I | 89.7 | Confident | 82.9 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 173.4 | -69.8 | 160 | 0 | 0 | 0 | 110 | L1854 N1892 F1893 V1898 K1899 C1900 L1914 L1917 F1923 | L1854-I1896 HydrophobicContact CD1-CG2 4.11Å; N1892-I1896 WeakPolarHBondContact O-CB 3.11Å; N1892-I1896 WeakPolarHBondContact O-CD1 3.44Å; N1892-I1896 WeakPolarHBondContact O-CG1 3.42Å; N1892-I1896 PolarHBondContact O-N 3.11Å; F1893-I1896 PolarHBondContact O-N 3.45Å; I1896-V1898 VanDerWaalsContact C-N 3.34Å; I1896-V1898 PolarHBondContact O-N 3.14Å; I1896-K1899 PolarHBondContact O-N 2.91Å; I1896-C1900 WeakPolarHBondContact O-CB 3.38Å; I1896-C1900 PolarHBondContact O-N 3.32Å; I1896-C1900 PolarHBondContact O-SG 2.95Å; I1896-L1914 HydrophobicContact CG2-CD2 4.44Å; I1896-L1917 HydrophobicContact CD1-CB 3.82Å; I1896-L1917 HydrophobicContact CD1-CD2 4.48Å; I1896-L1917 WeakPolarHBondContact CD1-O 3.46Å; I1896-L1917 HydrophobicContact CG1-CB 4.15Å; I1896-L1917 HydrophobicContact CG1-CD1 4.39Å; I1896-L1917 HydrophobicContact CG1-CD2 4.43Å; I1896-F1923 HydrophobicContact CD1-CD2 3.54Å; I1896-F1923 HydrophobicContact CD1-CE2 3.93Å |
| 1897 | M | 90.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 176.4 | 178.7 | -179.5 | 61 | 0 | 0 | 111.8 | L1854 Y1855 Y1858 I1882 F1893 L1894 C1900 W1901 | L1854-M1897 HydrophobicContact CB-CB 4.39Å; L1854-M1897 HydrophobicContact CB-CG 4.32Å; L1854-M1897 HydrophobicContact CD1-CB 4.19Å; Y1855-M1897 HydrophobicContact CD2-SD 4Å; Y1855-M1897 HydrophobicContact CG-SD 4.45Å; Y1858-M1897 HydrophobicContact CD1-SD 4.29Å; Y1858-M1897 HydrophobicContact CE1-CE 3.89Å; Y1858-M1897 HydrophobicContact CE1-SD 3.74Å; I1882-M1897 HydrophobicContact CD1-CE 3.92Å; I1882-M1897 HydrophobicContact CG1-CE 4.45Å; F1893-M1897 PolarHBondContact O-N 2.91Å; L1894-M1897 HydrophobicContact CD2-CE 3.87Å; L1894-M1897 PolarHBondContact O-N 2.74Å; M1897-C1900 WeakPolarHBondContact O-CB 3.36Å; M1897-C1900 PolarHBondContact O-N 3.39Å; M1897-W1901 HydrophobicContact CE-CH2 3.85Å; M1897-W1901 HydrophobicContact CE-CZ2 4.33Å; M1897-W1901 HydrophobicContact CE-CZ3 4.45Å; M1897-W1901 HydrophobicContact CG-CE3 4.05Å; M1897-W1901 HydrophobicContact CG-CH2 4.01Å; M1897-W1901 HydrophobicContact CG-CZ2 4.45Å; M1897-W1901 HydrophobicContact CG-CZ3 3.8Å; M1897-W1901 PolarHBondContact O-N 3.35Å; M1897-W1901 HydrophobicContact SD-CH2 3.82Å; M1897-W1901 HydrophobicContact SD-CZ3 3.81Å |
| 1898 | V | 88.6 | Confident | 85 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 179.8 | 165.1 | 0 | 0 | 0 | 0 | 112.4 | W537 I540 L543 L1894 D1895 I1896 W1901 | W537-V1898 HydrophobicContact CB-CG2 3.82Å; I540-V1898 HydrophobicContact CD1-CG1 3.48Å; I540-V1898 VanDerWaalsContact CD1-CG1 3.48Å; L543-V1898 HydrophobicContact CD1-CG2 3.96Å; L1894-V1898 WeakPolarHBondContact O-CB 3.49Å; L1894-V1898 WeakPolarHBondContact O-CG2 3.42Å; L1894-V1898 PolarHBondContact O-N 3.02Å; D1895-V1898 PolarHBondContact O-N 3.46Å; I1896-V1898 VanDerWaalsContact C-N 3.34Å; I1896-V1898 PolarHBondContact O-N 3.14Å; V1898-W1901 HydrophobicContact CG2-CZ2 4.02Å; V1898-W1901 PolarHBondContact O-N 3.12Å |
| 1899 | K | 89.8 | Confident | 86.3 | Confident | 93 Ų | 93 | 33.9 Ų | 33.9 | 40% | 0.404 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69.2 | -36.2 | 177.5 | -156.5 | 173.4 | -167.1 | 167.8 | 0 | 111.9 | D1895 I1896 | D1895-K1899 VanDerWaalsContact O-CB 3.24Å; D1895-K1899 WeakPolarHBondContact O-CB 3.41Å; D1895-K1899 PolarHBondContact O-N 3.43Å; I1896-K1899 PolarHBondContact O-N 2.91Å |
| 1900 | C | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 173.8 | -72.8 | 0 | 0 | 0 | 0 | 112.1 | C1847 Y1848 G1851 I1896 M1897 S1902 R1908 L1914 | C1847-C1900 WeakPolarHBondContact O-CB 3.42Å; Y1848-C1900 WeakPolarHBondContact CA-O 2.99Å; G1851-C1900 VanDerWaalsContact CA-CB 3.47Å; I1896-C1900 WeakPolarHBondContact O-CB 3.38Å; I1896-C1900 PolarHBondContact O-N 3.32Å; I1896-C1900 PolarHBondContact O-SG 2.95Å; M1897-C1900 WeakPolarHBondContact O-CB 3.36Å; M1897-C1900 PolarHBondContact O-N 3.39Å; C1900-S1902 VanDerWaalsContact C-N 3.27Å; C1900-S1902 PolarHBondContact O-N 2.89Å; C1900-R1908 WeakPolarHBondContact O-CD 3.44Å; C1900-R1908 VanDerWaalsContact O-CG 3.3Å; C1900-R1908 WeakPolarHBondContact O-CG 3.4Å; C1900-L1914 WeakPolarHBondContact SG-CD2 3.35Å |
| 1901 | W | 91.7 | Very high | 87.8 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 23 | -175.8 | 68.7 | 29.5 | 0 | 0 | 0 | 115 | L543 Y1848 M1852 Y1855 R1879 P1880 M1897 V1898 | L543-W1901 HydrophobicContact CD1-CZ2 4.41Å; L543-W1901 HydrophobicContact CD2-CZ2 4.15Å; Y1848-W1901 HydrophobicContact CD2-CB 4.16Å; Y1848-W1901 HydrophobicContact CE2-CB 3.95Å; Y1848-W1901 WeakPolarHBondContact CE2-O 3.31Å; M1852-W1901 HydrophobicContact CE-CB 4.03Å; M1852-W1901 HydrophobicContact CE-CD2 4.42Å; M1852-W1901 HydrophobicContact CE-CE3 3.96Å; M1852-W1901 HydrophobicContact SD-CE3 3.77Å; M1852-W1901 HydrophobicContact SD-CZ3 4.29Å; Y1855-W1901 AromaticContact CD2-CH2 3.95Å; Y1855-W1901 HydrophobicContact CD2-CH2 3.95Å; Y1855-W1901 AromaticContact CD2-CZ3 3.87Å; Y1855-W1901 HydrophobicContact CD2-CZ3 3.87Å; Y1855-W1901 HydrophobicContact CG-CZ3 4.17Å; R1879-W1901 HydrophobicContact CB-CZ2 4.39Å; R1879-W1901 HydrophobicContact CG-CD2 4.46Å; R1879-W1901 HydrophobicContact CG-CG 4.39Å; R1879-W1901 PolarHBondContact NE-O 3.19Å; R1879-W1901 PolarHBondContact NH2-O 3.43Å; P1880-W1901 HydrophobicContact CB-CZ3 4.46Å; P1880-W1901 HydrophobicContact CG-CZ3 4.06Å; M1897-W1901 HydrophobicContact CE-CH2 3.85Å; M1897-W1901 HydrophobicContact CE-CZ2 4.33Å; M1897-W1901 HydrophobicContact CE-CZ3 4.45Å; M1897-W1901 HydrophobicContact CG-CE3 4.05Å; M1897-W1901 HydrophobicContact CG-CH2 4.01Å; M1897-W1901 HydrophobicContact CG-CZ2 4.45Å; M1897-W1901 HydrophobicContact CG-CZ3 3.8Å; M1897-W1901 PolarHBondContact O-N 3.35Å; M1897-W1901 HydrophobicContact SD-CH2 3.82Å; M1897-W1901 HydrophobicContact SD-CZ3 3.81Å; V1898-W1901 HydrophobicContact CG2-CZ2 4.02Å; V1898-W1901 PolarHBondContact O-N 3.12Å |
| 1902 | S | 90.3 | Very high | 88.4 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | trans | -58.5 | 143.2 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 113 | C1900 R1904 R1908 | C1900-S1902 VanDerWaalsContact C-N 3.27Å; C1900-S1902 PolarHBondContact O-N 2.89Å; S1902-R1904 PolarHBondContact O-N 3.35Å; S1902-R1904 PolarHBondContact OG-N 2.83Å; S1902-R1908 PolarHBondContact O-NE 3.35Å; S1902-R1908 PolarHBondContact O-NH2 3.31Å; S1902-R1908 VanDerWaalsContact O-NH2 3.11Å | ||
| 1903 | Q | 87.5 | Confident | 89 | Confident | 70 Ų | 70 | 38.9 Ų | 38.9 | 33% | 0.327 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -66 | -23.8 | 179.1 | -165.9 | 67.4 | -7.2 | 0 | 0 | 112.7 | P1830 I1874 L1875 | P1830-Q1903 VanDerWaalsContact CG-OE1 3.23Å; I1874-Q1903 PolarHBondContact O-NE2 2.89Å; I1874-Q1903 PolarHBondContact O-OE1 2.91Å; L1875-Q1903 PolarHBondContact O-NE2 3.4Å |
| 1904 | R | 82.5 | Confident | 89.3 | Confident | 174 Ų | 174 | 38.7 Ų | 38.7 | 66% | 0.657 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -102.1 | 130.4 | 173.7 | -64.6 | 175.9 | 174.5 | 179 | -0.2 | 109.8 | S1902 S1906 D1907 | S1902-R1904 PolarHBondContact O-N 3.35Å; S1902-R1904 PolarHBondContact OG-N 2.83Å; R1904-S1906 PolarHBondContact O-N 2.94Å; R1904-D1907 HydrophobicContact CB-CB 4.48Å; R1904-D1907 WeakPolarHBondContact CB-OD2 3.3Å; R1904-D1907 VanDerWaalsContact CD-OD2 3.32Å; R1904-D1907 WeakPolarHBondContact CD-OD2 3.33Å; R1904-D1907 PolarHBondContact O-N 3.28Å |
| 1905 | S | 84.6 | Confident | 89.7 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -63.9 | -28.1 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | E1831 R1844 D1907 | E1831-S1905 WeakPolarHBondContact OE1-CB 3.28Å; R1844-S1905 WeakPolarHBondContact CG-O 3.49Å; R1844-S1905 PolarHBondContact NH1-O 2.91Å; S1905-D1907 VanDerWaalsContact C-N 3.31Å; S1905-D1907 PolarHBondContact O-N 2.82Å |
| 1906 | S | 82.4 | Confident | 89.9 | Confident | 76 Ų | 76 | 42.1 Ų | 42.1 | 53% | 0.531 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -59.8 | -37.5 | 175.8 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | R1844 R1904 | R1844-S1906 PolarHBondContact NH1-O 2.87Å; R1904-S1906 PolarHBondContact O-N 2.94Å |
| 1907 | D | 87.6 | Confident | 89.9 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -90 | -11.9 | -165.4 | -51 | -5.3 | 0 | 0 | 0 | 111.7 | R1904 S1905 | R1904-D1907 HydrophobicContact CB-CB 4.48Å; R1904-D1907 WeakPolarHBondContact CB-OD2 3.3Å; R1904-D1907 VanDerWaalsContact CD-OD2 3.32Å; R1904-D1907 WeakPolarHBondContact CD-OD2 3.33Å; R1904-D1907 PolarHBondContact O-N 3.28Å; S1905-D1907 VanDerWaalsContact C-N 3.31Å; S1905-D1907 PolarHBondContact O-N 2.82Å |
| 1908 | R | 92.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -73.8 | 149.7 | 173.6 | -54.4 | -179.8 | -163 | 140.1 | 11.4 | 110.8 | E1831 R1844 C1900 S1902 | E1831-R1908 IonicContact OE1-CZ 2.68Å; E1831-R1908 IonicContact OE1-NH1 3.6Å; E1831-R1908 PolarHBondContact OE1-NH1 3.45Å; E1831-R1908 IonicContact OE1-NH2 3.36Å; E1831-R1908 PolarHBondContact OE1-NH2 3.22Å; E1831-R1908 IonicContact OE2-CZ 3.13Å; E1831-R1908 IonicContact OE2-NH1 2.74Å; E1831-R1908 PolarHBondContact OE2-NH1 3.08Å; E1831-R1908 IonicContact OE2-NH2 2.77Å; E1831-R1908 PolarHBondContact OE2-NH2 2.95Å; R1844-R1908 PolarHBondContact NH1-O 3.05Å; R1844-R1908 WeakPolarHBondContact O-CD 3.49Å; R1844-R1908 PolarHBondContact O-NH1 3.08Å; C1900-R1908 WeakPolarHBondContact O-CD 3.44Å; C1900-R1908 VanDerWaalsContact O-CG 3.3Å; C1900-R1908 WeakPolarHBondContact O-CG 3.4Å; S1902-R1908 PolarHBondContact O-NE 3.35Å; S1902-R1908 PolarHBondContact O-NH2 3.31Å; S1902-R1908 VanDerWaalsContact O-NH2 3.11Å |
| 1909 | P | 92.9 | Very high | 90 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 159 | 171.3 | 29.1 | -36 | 0 | 0 | 0 | 112.3 | C1847 Q1913 L1914 | C1847-P1909 PolarHBondContact SG-O 2.84Å; P1909-Q1913 HydrophobicContact CB-CB 3.87Å; P1909-L1914 HydrophobicContact CB-CD2 4.16Å; P1909-L1914 HydrophobicContact CB-CG 4.33Å; P1909-L1914 HydrophobicContact CG-CD2 3.46Å; P1909-L1914 VanDerWaalsContact CG-CD2 3.46Å; P1909-L1914 HydrophobicContact CG-CG 3.98Å |
| 1910 | S | 91.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 21% | 0.21 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 166.3 | 162 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | S1912 Q1913 L1914 | S1910-S1912 PolarHBondContact O-N 2.98Å; S1910-Q1913 WeakPolarHBondContact O-CB 3.44Å; S1910-Q1913 PolarHBondContact O-N 3.34Å; S1910-Q1913 VanDerWaalsContact O-N 3.12Å; S1910-Q1913 WeakPolarHBondContact OG-CG 3.36Å; S1910-Q1913 PolarHBondContact OG-N 3.03Å; S1910-L1914 PolarHBondContact O-N 3.09Å |
| 1911 | S | 90.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58 | -42.5 | 175.1 | 46 | 0 | 0 | 0 | 0 | 113.4 | H1770 Q1913 L1914 V1915 | H1770-S1911 VanDerWaalsContact ND1-CB 3.25Å; H1770-S1911 WeakPolarHBondContact ND1-CB 3.08Å; H1770-S1911 PolarHBondContact ND1-OG 3.48Å; S1911-Q1913 VanDerWaalsContact C-N 3.31Å; S1911-Q1913 PolarHBondContact O-N 3.17Å; S1911-L1914 WeakPolarHBondContact O-CA 3.43Å; S1911-L1914 WeakPolarHBondContact O-CB 3.43Å; S1911-L1914 PolarHBondContact O-N 2.92Å; S1911-L1914 VanDerWaalsContact O-N 3.08Å; S1911-V1915 PolarHBondContact O-N 2.65Å |
| 1912 | S | 91.8 | Very high | 88.2 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 173 | -49 | 0 | 0 | 0 | 0 | 112.7 | E1767 S1910 L1914 V1915 S1916 | E1767-S1912 WeakPolarHBondContact OE1-CA 3.12Å; E1767-S1912 WeakPolarHBondContact OE1-CB 3.27Å; E1767-S1912 PolarHBondContact OE1-OG 3.22Å; S1910-S1912 PolarHBondContact O-N 2.98Å; S1912-L1914 VanDerWaalsContact C-N 3.34Å; S1912-V1915 PolarHBondContact O-N 3.38Å; S1912-S1916 PolarHBondContact O-N 3.24Å; S1912-S1916 VanDerWaalsContact O-N 3.13Å; S1912-S1916 PolarHBondContact O-OG 3.33Å |
| 1913 | Q | 93.4 | Very high | 87.8 | Confident | 99 Ų | 99 | 50.6 Ų | 50.6 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 174.5 | -70.9 | 173.9 | -36 | 0 | 0 | 111.9 | P1909 S1910 S1911 V1915 S1916 L1917 | P1909-Q1913 HydrophobicContact CB-CB 3.87Å; S1910-Q1913 WeakPolarHBondContact O-CB 3.44Å; S1910-Q1913 PolarHBondContact O-N 3.34Å; S1910-Q1913 VanDerWaalsContact O-N 3.12Å; S1910-Q1913 WeakPolarHBondContact OG-CG 3.36Å; S1910-Q1913 PolarHBondContact OG-N 3.03Å; S1911-Q1913 VanDerWaalsContact C-N 3.31Å; S1911-Q1913 PolarHBondContact O-N 3.17Å; Q1913-V1915 VanDerWaalsContact C-N 3.34Å; Q1913-S1916 PolarHBondContact O-N 3.44Å; Q1913-L1917 VanDerWaalsContact O-CB 3.24Å; Q1913-L1917 WeakPolarHBondContact O-CB 3.38Å; Q1913-L1917 WeakPolarHBondContact O-CD1 3.29Å; Q1913-L1917 WeakPolarHBondContact O-CG 3.45Å; Q1913-L1917 PolarHBondContact O-N 2.78Å |
| 1914 | L | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 172.4 | -67.4 | 176.7 | 0 | 0 | 0 | 112.3 | A1763 C1847 F1850 I1896 C1900 P1909 S1910 S1911 S1912 T1918 | A1763-L1914 HydrophobicContact CB-CB 4.09Å; C1847-L1914 HydrophobicContact CB-CD1 4.19Å; F1850-L1914 HydrophobicContact CB-CD1 4.17Å; F1850-L1914 HydrophobicContact CD1-CD1 3.9Å; F1850-L1914 HydrophobicContact CD1-CD2 3.95Å; F1850-L1914 HydrophobicContact CD1-CG 4.49Å; F1850-L1914 HydrophobicContact CD2-CD1 4.43Å; F1850-L1914 HydrophobicContact CE1-CD1 4.4Å; F1850-L1914 HydrophobicContact CE1-CD2 4.07Å; F1850-L1914 HydrophobicContact CG-CD1 3.92Å; I1896-L1914 HydrophobicContact CG2-CD2 4.44Å; C1900-L1914 WeakPolarHBondContact SG-CD2 3.35Å; P1909-L1914 HydrophobicContact CB-CD2 4.16Å; P1909-L1914 HydrophobicContact CB-CG 4.33Å; P1909-L1914 HydrophobicContact CG-CD2 3.46Å; P1909-L1914 VanDerWaalsContact CG-CD2 3.46Å; P1909-L1914 HydrophobicContact CG-CG 3.98Å; S1910-L1914 PolarHBondContact O-N 3.09Å; S1911-L1914 WeakPolarHBondContact O-CA 3.43Å; S1911-L1914 WeakPolarHBondContact O-CB 3.43Å; S1911-L1914 PolarHBondContact O-N 2.92Å; S1911-L1914 VanDerWaalsContact O-N 3.08Å; S1912-L1914 VanDerWaalsContact C-N 3.34Å; L1914-T1918 WeakPolarHBondContact O-CB 3.34Å; L1914-T1918 VanDerWaalsContact O-CG2 3.28Å; L1914-T1918 WeakPolarHBondContact O-CG2 3.41Å; L1914-T1918 PolarHBondContact O-N 3.21Å; L1914-T1918 PolarHBondContact O-OG1 3.46Å |
| 1915 | V | 93.7 | Very high | 86.7 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -58.5 | 173.3 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | A1763 K1764 E1767 S1911 S1912 Q1913 L1917 T1918 T1919 | A1763-V1915 HydrophobicContact CB-CG2 3.9Å; K1764-V1915 HydrophobicContact CG-CG1 4.13Å; K1764-V1915 HydrophobicContact CG-CG2 4.15Å; E1767-V1915 HydrophobicContact CB-CG2 4.09Å; S1911-V1915 PolarHBondContact O-N 2.65Å; S1912-V1915 PolarHBondContact O-N 3.38Å; Q1913-V1915 VanDerWaalsContact C-N 3.34Å; V1915-L1917 VanDerWaalsContact C-N 3.31Å; V1915-L1917 PolarHBondContact O-N 3.48Å; V1915-T1918 PolarHBondContact O-N 2.88Å; V1915-T1918 VanDerWaalsContact O-N 3.1Å; V1915-T1918 PolarHBondContact O-OG1 3.04Å; V1915-T1919 HydrophobicContact CG1-CG2 4.38Å; V1915-T1919 PolarHBondContact O-N 3.14Å; V1915-T1919 PolarHBondContact O-OG1 2.91Å |
| 1916 | S | 91.2 | Very high | 86.1 | Confident | 75 Ų | 75 | 46.8 Ų | 46.8 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -52.2 | -47.4 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | S1912 Q1913 T1918 T1919 A1920 | S1912-S1916 PolarHBondContact O-N 3.24Å; S1912-S1916 VanDerWaalsContact O-N 3.13Å; S1912-S1916 PolarHBondContact O-OG 3.33Å; Q1913-S1916 PolarHBondContact O-N 3.44Å; S1916-T1918 VanDerWaalsContact C-N 3.35Å; S1916-T1918 PolarHBondContact O-N 3.29Å; S1916-T1919 PolarHBondContact O-OG1 3.41Å; S1916-A1920 WeakPolarHBondContact O-CB 3.46Å; S1916-A1920 PolarHBondContact O-N 2.99Å |
| 1917 | L | 89.8 | Confident | 85.5 | Confident | 52 Ų | 52 | 47 Ų | 47 | 27% | 0.272 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.5 | -27.3 | -177.9 | -72.7 | 167.3 | 0 | 0 | 0 | 113.9 | I1896 Q1913 V1915 F1923 | I1896-L1917 HydrophobicContact CD1-CB 3.82Å; I1896-L1917 HydrophobicContact CD1-CD2 4.48Å; I1896-L1917 WeakPolarHBondContact CD1-O 3.46Å; I1896-L1917 HydrophobicContact CG1-CB 4.15Å; I1896-L1917 HydrophobicContact CG1-CD1 4.39Å; I1896-L1917 HydrophobicContact CG1-CD2 4.43Å; Q1913-L1917 VanDerWaalsContact O-CB 3.24Å; Q1913-L1917 WeakPolarHBondContact O-CB 3.38Å; Q1913-L1917 WeakPolarHBondContact O-CD1 3.29Å; Q1913-L1917 WeakPolarHBondContact O-CG 3.45Å; Q1913-L1917 PolarHBondContact O-N 2.78Å; V1915-L1917 VanDerWaalsContact C-N 3.31Å; V1915-L1917 PolarHBondContact O-N 3.48Å; L1917-F1923 WeakPolarHBondContact O-CD2 3.27Å |
| 1918 | T | 90.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -92.8 | -24.6 | 179.1 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | Q1756 A1759 F1850 L1914 V1915 S1916 F1923 | Q1756-T1918 VanDerWaalsContact CG-O 3.26Å; Q1756-T1918 WeakPolarHBondContact CG-O 3.29Å; Q1756-T1918 PolarHBondContact NE2-O 3.1Å; A1759-T1918 HydrophobicContact CB-CG2 4Å; F1850-T1918 HydrophobicContact CE1-CG2 4.23Å; F1850-T1918 HydrophobicContact CZ-CG2 4.05Å; L1914-T1918 WeakPolarHBondContact O-CB 3.34Å; L1914-T1918 VanDerWaalsContact O-CG2 3.28Å; L1914-T1918 WeakPolarHBondContact O-CG2 3.41Å; L1914-T1918 PolarHBondContact O-N 3.21Å; L1914-T1918 PolarHBondContact O-OG1 3.46Å; V1915-T1918 PolarHBondContact O-N 2.88Å; V1915-T1918 VanDerWaalsContact O-N 3.1Å; V1915-T1918 PolarHBondContact O-OG1 3.04Å; S1916-T1918 VanDerWaalsContact C-N 3.35Å; S1916-T1918 PolarHBondContact O-N 3.29Å; T1918-F1923 HydrophobicContact CG2-CD2 4.26Å; T1918-F1923 HydrophobicContact CG2-CE2 3.8Å; T1918-F1923 HydrophobicContact CG2-CZ 4.47Å |
| 1919 | T | 89.2 | Confident | 83.6 | Confident | 69 Ų | 69 | 47 Ų | 47 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -83.4 | -13.2 | 172.6 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | V1915 S1916 | V1915-T1919 HydrophobicContact CG1-CG2 4.38Å; V1915-T1919 PolarHBondContact O-N 3.14Å; V1915-T1919 PolarHBondContact O-OG1 2.91Å; S1916-T1919 PolarHBondContact O-OG1 3.41Å |
| 1920 | A | 83.2 | Confident | 82.6 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -63.4 | 134.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1756 S1916 E1922 F1923 | Q1756-A1920 PolarHBondContact NE2-O 3.03Å; S1916-A1920 WeakPolarHBondContact O-CB 3.46Å; S1916-A1920 PolarHBondContact O-N 2.99Å; A1920-E1922 WeakPolarHBondContact CB-OE2 3.36Å; A1920-E1922 PolarHBondContact O-N 3.38Å; A1920-F1923 WeakPolarHBondContact O-CB 3.46Å; A1920-F1923 PolarHBondContact O-N 3.35Å; A1920-F1923 VanDerWaalsContact O-N 3.08Å |
| 1921 | P | 76.8 | Confident | 81.5 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.5 | 176 | 24.2 | -33.4 | 0 | 0 | 0 | 112.5 | F1923 S1924 H1925 | P1921-F1923 PolarHBondContact O-N 3.17Å; P1921-F1923 VanDerWaalsContact O-N 3.08Å; P1921-S1924 PolarHBondContact O-N 3.1Å; P1921-S1924 VanDerWaalsContact O-N 3.1Å; P1921-S1924 PolarHBondContact O-OG 3.49Å; P1921-H1925 PolarHBondContact O-N 2.82Å; P1921-H1925 PolarHBondContact O-ND1 3.43Å |
| 1922 | E | 78 | Confident | 80.5 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -14.6 | 175.5 | -54.3 | 95.9 | 132.8 | 0 | 0 | 113.2 | N1892 A1920 S1924 L1926 | N1892-E1922 WeakPolarHBondContact CB-O 3.34Å; N1892-E1922 WeakPolarHBondContact ND2-CB 3.4Å; N1892-E1922 PolarHBondContact ND2-O 2.78Å; A1920-E1922 WeakPolarHBondContact CB-OE2 3.36Å; A1920-E1922 PolarHBondContact O-N 3.38Å; E1922-S1924 VanDerWaalsContact C-N 3.25Å; E1922-S1924 PolarHBondContact O-N 2.94Å; E1922-L1926 HydrophobicContact CB-CB 4Å; E1922-L1926 HydrophobicContact CB-CD2 4.26Å; E1922-L1926 VanDerWaalsContact O-CB 3.32Å; E1922-L1926 WeakPolarHBondContact O-CB 3.47Å |
| 1923 | F | 80.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -32.5 | 173.3 | -176.7 | -84.7 | 0 | 0 | 0 | 112.3 | I1755 Q1756 A1759 F1893 I1896 L1917 T1918 A1920 P1921 | I1755-F1923 HydrophobicContact CG2-CE1 4.28Å; I1755-F1923 HydrophobicContact CG2-CZ 4.46Å; Q1756-F1923 HydrophobicContact CB-CD1 3.62Å; Q1756-F1923 HydrophobicContact CB-CE1 3.63Å; Q1756-F1923 HydrophobicContact CG-CD1 3.51Å; Q1756-F1923 HydrophobicContact CG-CE1 3.91Å; Q1756-F1923 HydrophobicContact CG-CG 4.18Å; A1759-F1923 HydrophobicContact CB-CZ 4.25Å; F1893-F1923 HydrophobicContact CB-CE2 4.49Å; F1893-F1923 HydrophobicContact CB-CZ 4.42Å; F1893-F1923 HydrophobicContact CD2-CE1 4.14Å; F1893-F1923 HydrophobicContact CD2-CE2 4.13Å; F1893-F1923 AromaticContact CD2-CZ 3.6Å; F1893-F1923 HydrophobicContact CD2-CZ 3.6Å; F1893-F1923 HydrophobicContact CE2-CZ 4.4Å; F1893-F1923 HydrophobicContact CG-CZ 4.47Å; I1896-F1923 HydrophobicContact CD1-CD2 3.54Å; I1896-F1923 HydrophobicContact CD1-CE2 3.93Å; L1917-F1923 WeakPolarHBondContact O-CD2 3.27Å; T1918-F1923 HydrophobicContact CG2-CD2 4.26Å; T1918-F1923 HydrophobicContact CG2-CE2 3.8Å; T1918-F1923 HydrophobicContact CG2-CZ 4.47Å; A1920-F1923 WeakPolarHBondContact O-CB 3.46Å; A1920-F1923 PolarHBondContact O-N 3.35Å; A1920-F1923 VanDerWaalsContact O-N 3.08Å; P1921-F1923 PolarHBondContact O-N 3.17Å; P1921-F1923 VanDerWaalsContact O-N 3.08Å |
| 1924 | S | 75.4 | Confident | 77.5 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -119.4 | -21.1 | -173.4 | 46.2 | 0 | 0 | 0 | 0 | 114.3 | Q1756 P1921 E1922 | Q1756-S1924 VanDerWaalsContact OE1-CB 3.26Å; Q1756-S1924 PolarHBondContact OE1-OG 3.16Å; P1921-S1924 PolarHBondContact O-N 3.1Å; P1921-S1924 VanDerWaalsContact O-N 3.1Å; P1921-S1924 PolarHBondContact O-OG 3.49Å; E1922-S1924 VanDerWaalsContact C-N 3.25Å; E1922-S1924 PolarHBondContact O-N 2.94Å |
| 1925 | H | 71.9 | Confident | 75.4 | Confident | 144 Ų | 144 | 60 Ų | 60 | 67% | 0.667 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -104.5 | -19.6 | -176.1 | -58 | 76 | 0 | 0 | 0 | 113.8 | P1921 L1927 | P1921-H1925 PolarHBondContact O-N 2.82Å; P1921-H1925 PolarHBondContact O-ND1 3.43Å; H1925-L1927 PolarHBondContact O-N 3.27Å |
| 1926 | L | 73 | Confident | 73.3 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | trans | -88.5 | 90.9 | -178.8 | -170.1 | 65 | 0 | 0 | 0 | 110.9 | S1891 E1922 V1929 | S1891-L1926 PolarHBondContact N-O 3.24Å; S1891-L1926 PolarHBondContact OG-O 2.91Å; S1891-L1926 VanDerWaalsContact OG-O 3.11Å; E1922-L1926 HydrophobicContact CB-CB 4Å; E1922-L1926 HydrophobicContact CB-CD2 4.26Å; E1922-L1926 VanDerWaalsContact O-CB 3.32Å; E1922-L1926 WeakPolarHBondContact O-CB 3.47Å; L1926-V1929 HydrophobicContact CD1-CG2 3.86Å; L1926-V1929 HydrophobicContact CD2-CG2 3.92Å; L1926-V1929 HydrophobicContact CG-CG2 3.98Å | ||
| 1927 | L | 69.1 | Low | 71.1 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | trans | -63.6 | -69.4 | -178.9 | -65 | 176.5 | 0 | 0 | 0 | 111.9 | P1890 S1891 H1925 | P1890-L1927 HydrophobicContact CG-CD2 4.4Å; S1891-L1927 WeakPolarHBondContact CB-O 3.33Å; S1891-L1927 PolarHBondContact N-O 3.16Å; S1891-L1927 PolarHBondContact OG-O 3.27Å; H1925-L1927 PolarHBondContact O-N 3.27Å | ||
| 1928 | D | 69 | Low | 69.3 | Low | 25 Ų | 25 | 63.8 Ų | 63.8 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | trans | -140.3 | 158.5 | -179.8 | -168.1 | 27.8 | 0 | 0 | 0 | 112.5 | R533 N535 | R533-D1928 WeakPolarHBondContact CD-OD2 3.2Å; R533-D1928 IonicContact CZ-OD2 3.63Å; R533-D1928 IonicContact NE-OD1 3Å; R533-D1928 IonicContact NE-OD2 3.77Å; R533-D1928 PolarHBondContact NE-OD2 3.26Å; R533-D1928 IonicContact NH2-OD2 2.71Å; N535-D1928 PolarHBondContact ND2-OD1 2.93Å | ||
| 1929 | V | 71.5 | Confident | 67.6 | Low | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.345 | 38% | 0.384 | S | S | . | . | trans | -135.7 | 118.6 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | L1926 | L1926-V1929 HydrophobicContact CD1-CG2 3.86Å; L1926-V1929 HydrophobicContact CD2-CG2 3.92Å; L1926-V1929 HydrophobicContact CG-CG2 3.98Å | ||
| 1930 | V | 71 | Confident | 65.9 | Low | 30 Ų | 30 | 66.7 Ų | 66.7 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.7 | 178.6 | -69.5 | 0 | 0 | 0 | 0 | 111 | L531 R533 W1981 | L531-V1930 HydrophobicContact CB-CG1 4.2Å; L531-V1930 HydrophobicContact CD2-CB 4.19Å; L531-V1930 HydrophobicContact CD2-CG1 3.98Å; L531-V1930 HydrophobicContact CD2-CG2 4.35Å; L531-V1930 HydrophobicContact CG-CG1 4.5Å; R533-V1930 HydrophobicContact CG-CG1 3.59Å; V1930-W1981 HydrophobicContact CG1-CB 4.03Å; V1930-W1981 HydrophobicContact CG1-CG 4.31Å; V1930-W1981 HydrophobicContact CG2-CB 4.2Å; V1930-W1981 VanDerWaalsContact CG2-CD1 3.49Å; V1930-W1981 HydrophobicContact CG2-CD2 4.33Å; V1930-W1981 HydrophobicContact CG2-CG 3.72Å |
| 1931 | S | 68.9 | Low | 64.5 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.3 | 165.4 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | N532 | N532-S1931 PolarHBondContact O-N 3.2Å |
| 1932 | L | 70 | Confident | 63.7 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 32% | 0.319 | 38% | 0.378 | S | S | . | . | trans | -83 | 154.9 | 162.5 | -50.7 | -178.2 | 0 | 0 | 0 | 109.2 | D1934 L1974 Y1984 | L1932-D1934 VanDerWaalsContact C-N 3.33Å; L1932-D1934 PolarHBondContact O-N 3.16Å; L1932-L1974 HydrophobicContact CD1-CD1 4.25Å; L1932-L1974 HydrophobicContact CD2-CD1 4.15Å; L1932-L1974 HydrophobicContact CD2-CD2 4.03Å; L1932-L1974 HydrophobicContact CD2-CG 4.43Å; L1932-Y1984 HydrophobicContact CB-CE1 4.5Å; L1932-Y1984 HydrophobicContact CD2-CD1 3.78Å; L1932-Y1984 HydrophobicContact CD2-CD2 4.24Å; L1932-Y1984 HydrophobicContact CD2-CE1 3.76Å; L1932-Y1984 HydrophobicContact CD2-CE2 4.22Å; L1932-Y1984 HydrophobicContact CD2-CG 4.09Å | ||
| 1933 | E | 62.9 | Low | 62.9 | Low | 145 Ų | 145 | 61.9 Ų | 61.9 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -90.2 | 11.9 | -177.6 | -56 | -152.1 | 142.4 | 0 | 0 | 114.2 | N532 P1935 | N532-E1933 PolarHBondContact ND2-OE1 2.93Å; E1933-P1935 WeakPolarHBondContact O-CD 3.48Å |
| 1934 | D | 59.5 | Low | 62 | Low | 64 Ų | 64 | 63.7 Ų | 63.7 | 34% | 0.342 | 38% | 0.383 | S | S | . | . | trans | -102.7 | 109.9 | -179.7 | -84.8 | -91.4 | 0 | 0 | 0 | 112.7 | L1932 A1937 R1966 | L1932-D1934 VanDerWaalsContact C-N 3.33Å; L1932-D1934 PolarHBondContact O-N 3.16Å; D1934-A1937 HydrophobicContact CB-CB 4.4Å; D1934-R1966 IonicContact OD1-CZ 2.74Å; D1934-R1966 IonicContact OD1-NH1 2.79Å; D1934-R1966 PolarHBondContact OD1-NH1 3.31Å; D1934-R1966 IonicContact OD1-NH2 3.38Å; D1934-R1966 PolarHBondContact OD1-NH2 3.34Å; D1934-R1966 IonicContact OD2-CZ 3.72Å; D1934-R1966 IonicContact OD2-NH1 3.93Å; D1934-R1966 PolarHBondContact OD2-NH1 2.95Å; D1934-R1966 IonicContact OD2-NH2 3.74Å; D1934-R1966 PolarHBondContact OD2-NH2 2.97Å | ||
| 1935 | P | 47.4 | Very low | 61.5 | Low | 117 Ų | 117 | 64 Ų | 64 | 76% | 0.76 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -79.6 | -21 | -174.6 | 30 | -34.9 | 0 | 0 | 0 | 114.9 | E1933 | E1933-P1935 WeakPolarHBondContact O-CD 3.48Š|
| 1936 | D | 49.3 | Very low | 60.9 | Low | 142 Ų | 142 | 59.1 Ų | 59.1 | 76% | 0.759 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -113.6 | 6.4 | -166.8 | -67.6 | -58.6 | 0 | 0 | 0 | 114.6 | A1938 | D1936-A1938 PolarHBondContact O-N 3.18Š|
| 1937 | A | 46.9 | Very low | 60.3 | Low | 35 Ų | 35 | 58 Ų | 58 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | trans | -70.1 | 96.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1934 V1939 | D1934-A1937 HydrophobicContact CB-CB 4.4Å; A1937-V1939 PolarHBondContact O-N 2.78Å | ||
| 1938 | A | 50.4 | Low | 59.3 | Low | 50 Ų | 50 | 60 Ų | 60 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | trans | -78 | 102.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D1936 A1940 | D1936-A1938 PolarHBondContact O-N 3.18Å; A1938-A1940 PolarHBondContact O-N 2.96Å | ||
| 1939 | V | 56.3 | Low | 58 | Low | 72 Ų | 72 | 63.7 Ų | 63.7 | 44% | 0.436 | 38% | 0.384 | S | S | . | . | trans | -60.3 | 119.3 | 171.8 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | A1937 A1941 V1964 S1965 | A1937-V1939 PolarHBondContact O-N 2.78Å; V1939-A1941 VanDerWaalsContact CG1-O 3.29Å; V1939-A1941 WeakPolarHBondContact CG1-O 3.29Å; V1939-V1964 HydrophobicContact CB-CG1 4.08Å; V1939-V1964 HydrophobicContact CG1-CG1 3.55Å; V1939-V1964 HydrophobicContact CG2-CG1 3.37Å; V1939-S1965 WeakPolarHBondContact CA-O 3.5Å | ||
| 1940 | A | 53 | Low | 56.4 | Low | 58 Ų | 58 | 70.2 Ų | 70.2 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -99.3 | -29.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1938 S1965 I1995 | A1938-A1940 PolarHBondContact O-N 2.96Å; A1940-S1965 PolarHBondContact N-OG 2.85Å; A1940-I1995 WeakPolarHBondContact CB-O 3.49Å |
| 1941 | A | 52.6 | Low | 54.7 | Low | 12 Ų | 12 | 72.1 Ų | 72.1 | 10% | 0.099 | 42% | 0.418 | C | S | . | . | trans | -148 | 153.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1939 S1965 I1995 M1998 | V1939-A1941 VanDerWaalsContact CG1-O 3.29Å; V1939-A1941 WeakPolarHBondContact CG1-O 3.29Å; A1941-S1965 PolarHBondContact N-OG 2.84Å; A1941-S1965 WeakPolarHBondContact O-CB 3.46Å; A1941-S1965 PolarHBondContact O-N 2.8Å; A1941-S1965 PolarHBondContact O-OG 3.38Å; A1941-I1995 HydrophobicContact CB-CG2 4.26Å; A1941-M1998 HydrophobicContact CB-CB 4.25Å; A1941-M1998 HydrophobicContact CB-CG 3.84Å; A1941-M1998 HydrophobicContact CB-SD 3.94Å | ||
| 1942 | G | 61.3 | Low | 52.9 | Low | 44 Ų | 44 | 74 Ų | 74 | 45% | 0.454 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 150.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | W1963 | G1942-W1963 CarbonylContact C-O 3.59Å; G1942-W1963 WeakPolarHBondContact CA-O 3.4Å |
| 1943 | D | 59.9 | Low | 51.1 | Low | 42 Ų | 42 | 73.7 Ų | 73.7 | 23% | 0.225 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.4 | 179.5 | -161.8 | -4.2 | 0 | 0 | 0 | 108.6 | F1945 W1963 M1998 C1999 L2000 | D1943-F1945 HydrophobicContact CB-CD1 4.34Å; D1943-F1945 HydrophobicContact CB-CE1 4.44Å; D1943-W1963 PolarHBondContact N-O 2.8Å; D1943-W1963 PolarHBondContact O-N 2.88Å; D1943-M1998 HydrophobicContact CB-CB 4.1Å; D1943-M1998 HydrophobicContact CB-CE 4.17Å; D1943-C1999 WeakPolarHBondContact OD2-CA 3.29Å; D1943-L2000 PolarHBondContact OD2-N 2.94Å |
| 1944 | A | 62.7 | Low | 49.8 | Very low | 41 Ų | 41 | 71 Ų | 71 | 34% | 0.339 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 110.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L1962 | A1944-L1962 HydrophobicContact CB-CD1 3.82Å |
| 1945 | F | 65.8 | Low | 48.8 | Very low | 13 Ų | 13 | 73.8 Ų | 73.8 | 6% | 0.057 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 155.6 | -170.7 | 46.3 | -98.6 | 0 | 0 | 0 | 112.7 | D1943 T1960 E1961 W1963 L2000 V2005 A2019 | D1943-F1945 HydrophobicContact CB-CD1 4.34Å; D1943-F1945 HydrophobicContact CB-CE1 4.44Å; F1945-T1960 WeakPolarHBondContact O-CA 3.35Å; F1945-E1961 HydrophobicContact CE2-CB 4.12Å; F1945-E1961 PolarHBondContact N-O 3.03Å; F1945-E1961 PolarHBondContact O-N 3.35Å; F1945-W1963 HydrophobicContact CE1-CB 4.46Å; F1945-W1963 AromaticContact CE1-CD1 3.92Å; F1945-W1963 HydrophobicContact CE1-CG 4.1Å; F1945-W1963 AromaticContact CE2-NE1 3.91Å; F1945-W1963 AromaticContact CZ-CD1 3.36Å; F1945-W1963 HydrophobicContact CZ-CD2 4.07Å; F1945-W1963 AromaticContact CZ-CE2 3.78Å; F1945-W1963 AromaticContact CZ-CG 3.84Å; F1945-W1963 HydrophobicContact CZ-CG 3.84Å; F1945-W1963 AromaticContact CZ-NE1 3.37Å; F1945-L2000 HydrophobicContact CB-CD2 3.8Å; F1945-L2000 HydrophobicContact CD1-CB 4.14Å; F1945-L2000 HydrophobicContact CD1-CD1 4.12Å; F1945-L2000 HydrophobicContact CD1-CG 4.5Å; F1945-L2000 HydrophobicContact CD2-CD1 4.16Å; F1945-L2000 HydrophobicContact CD2-CD2 4.49Å; F1945-L2000 HydrophobicContact CE1-CD1 4.24Å; F1945-L2000 HydrophobicContact CE2-CD1 4.27Å; F1945-L2000 HydrophobicContact CG-CB 4.47Å; F1945-L2000 HydrophobicContact CG-CD1 4.07Å; F1945-L2000 HydrophobicContact CG-CD2 4.05Å; F1945-L2000 HydrophobicContact CG-CG 4.42Å; F1945-L2000 HydrophobicContact CZ-CD1 4.3Å; F1945-V2005 HydrophobicContact CE1-CG2 3.73Å; F1945-V2005 HydrophobicContact CE2-CG2 4.37Å; F1945-V2005 HydrophobicContact CZ-CG2 3.41Å; F1945-V2005 VanDerWaalsContact CZ-CG2 3.41Å; F1945-A2019 HydrophobicContact CE2-CB 4.22Å |
| 1946 | L | 58.7 | Low | 48.4 | Very low | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.5 | -179.5 | -153.2 | 126.1 | 0 | 0 | 0 | 109.6 | E1948 M1958 T1960 V2160 | L1946-E1948 HydrophobicContact CD2-CG 3.91Å; L1946-E1948 PolarHBondContact O-N 2.81Å; L1946-M1958 HydrophobicContact CD1-CB 4.39Å; L1946-M1958 HydrophobicContact CD1-CE 3.49Å; L1946-M1958 VanDerWaalsContact CD1-CE 3.49Å; L1946-M1958 HydrophobicContact CD1-SD 4.05Å; L1946-M1958 HydrophobicContact CD2-CE 4.18Å; L1946-M1958 HydrophobicContact CD2-SD 3.86Å; L1946-M1958 HydrophobicContact CG-CE 4.48Å; L1946-T1960 HydrophobicContact CB-CG2 4.4Å; L1946-T1960 HydrophobicContact CD1-CG2 3.79Å; L1946-T1960 HydrophobicContact CG-CG2 4.1Å; L1946-V2160 HydrophobicContact CB-CG2 4.09Å; L1946-V2160 HydrophobicContact CD1-CG2 3.91Å |
| 1947 | L | 61 | Low | 48.3 | Very low | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | trans | -78.1 | 78 | 172.7 | -80.1 | 164.1 | 0 | 0 | 0 | 108.9 | D1949 E1959 E1961 K2020 | L1947-D1949 VanDerWaalsContact C-N 3.29Å; L1947-D1949 PolarHBondContact O-N 3.12Å; L1947-E1959 PolarHBondContact N-O 2.93Å; L1947-E1961 HydrophobicContact CD1-CG 3.86Å; L1947-K2020 HydrophobicContact CD2-CG 4.3Å | ||
| 1948 | E | 46.9 | Very low | 48.6 | Very low | 120 Ų | 120 | 71 Ų | 71 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | trans | -62.7 | 92.9 | 168.2 | -75 | -164 | 165.3 | 0 | 0 | 109.5 | L1946 Y1950 | L1946-E1948 HydrophobicContact CD2-CG 3.91Å; L1946-E1948 PolarHBondContact O-N 2.81Å; E1948-Y1950 HydrophobicContact CB-CD2 4.39Å; E1948-Y1950 HydrophobicContact CB-CE2 4.05Å; E1948-Y1950 WeakPolarHBondContact O-CD2 3.41Å; E1948-Y1950 PolarHBondContact O-N 2.6Å; E1948-Y1950 PolarHBondContact OE2-OH 2.91Å | ||
| 1949 | D | 42.7 | Very low | 49.2 | Very low | 102 Ų | 102 | 72.9 Ų | 72.9 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | trans | -78.5 | 112.7 | 168.5 | -150 | 45.5 | 0 | 0 | 0 | 108.1 | L1947 S1951 K2020 | L1947-D1949 VanDerWaalsContact C-N 3.29Å; L1947-D1949 PolarHBondContact O-N 3.12Å; D1949-S1951 PolarHBondContact O-N 3.05Å; D1949-S1951 PolarHBondContact OD2-OG 3.4Å; D1949-S1951 VanDerWaalsContact OD2-OG 3.12Å; D1949-K2020 IonicContact OD1-NZ 3.95Å; D1949-K2020 PolarHBondContact OD1-NZ 2.63Å | ||
| 1950 | Y | 37.5 | Very low | 49.8 | Very low | 195 Ų | 195 | 70.5 Ų | 70.5 | 77% | 0.765 | 40% | 0.397 | S | S | * | . | trans | -69.6 | 26.7 | -176.7 | -87.9 | -107.9 | 0 | 0 | 0 | 113.5 | E1948 | E1948-Y1950 HydrophobicContact CB-CD2 4.39Å; E1948-Y1950 HydrophobicContact CB-CE2 4.05Å; E1948-Y1950 WeakPolarHBondContact O-CD2 3.41Å; E1948-Y1950 PolarHBondContact O-N 2.6Å; E1948-Y1950 PolarHBondContact OE2-OH 2.91Å | ||
| 1951 | S | 34.1 | Very low | 50.9 | Low | 69 Ų | 69 | 68 Ų | 68 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | trans | -88.4 | 100.9 | 165.8 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | D1949 E1953 | D1949-S1951 PolarHBondContact O-N 3.05Å; D1949-S1951 PolarHBondContact OD2-OG 3.4Å; D1949-S1951 VanDerWaalsContact OD2-OG 3.12Å; S1951-E1953 VanDerWaalsContact C-N 3.32Å; S1951-E1953 PolarHBondContact O-N 3.27Å | ||
| 1952 | T | 31.4 | Very low | 52.2 | Low | 88 Ų | 88 | 68.3 Ų | 68.3 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | trans | -73.7 | 67.9 | -167.6 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1953 | E | 33.5 | Very low | 53.2 | Low | 56 Ų | 56 | 66.2 Ų | 66.2 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | trans | -131.3 | 104.9 | 177.3 | -64.2 | -164.1 | 146 | 0 | 0 | 113.1 | K279 R280 S1951 S1956 | K279-E1953 HydrophobicContact CB-CG 4.33Å; K279-E1953 WeakPolarHBondContact CB-OE1 3.42Å; K279-E1953 HydrophobicContact CD-CB 4.01Å; K279-E1953 HydrophobicContact CD-CG 3.88Å; R280-E1953 WeakPolarHBondContact CG-OE2 3.2Å; R280-E1953 IonicContact NE-OE2 2.72Å; R280-E1953 PolarHBondContact NE-OE2 2.73Å; S1951-E1953 VanDerWaalsContact C-N 3.32Å; S1951-E1953 PolarHBondContact O-N 3.27Å; E1953-S1956 PolarHBondContact O-N 2.8Å | ||
| 1954 | D | 34.5 | Very low | 54 | Low | 88 Ų | 88 | 65.4 Ų | 65.4 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -39.1 | 142.9 | 169.6 | -46.1 | -43.7 | 0 | 0 | 0 | 114.3 | K279 S304 | K279-D1954 IonicContact NZ-OD1 2.7Å; K279-D1954 IonicContact NZ-OD2 2.74Å; K279-D1954 PolarHBondContact NZ-OD2 2.83Å; S304-D1954 WeakPolarHBondContact CB-OD2 3.14Å |
| 1955 | N | 38.6 | Very low | 54.6 | Low | 122 Ų | 122 | 63.5 Ų | 63.5 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | trans | 69.2 | 25.9 | -162.8 | -73.1 | 42 | 0 | 0 | 0 | 115.1 | V1957 | N1955-V1957 PolarHBondContact O-N 2.92Å; N1955-V1957 VanDerWaalsContact O-N 3.16Å | ||
| 1956 | S | 40.2 | Very low | 55 | Low | 80 Ų | 80 | 63.8 Ų | 63.8 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | trans | -55 | 113 | 146.3 | 54.9 | 0 | 0 | 0 | 0 | 109 | E1953 M1958 | E1953-S1956 PolarHBondContact O-N 2.8Å; S1956-M1958 PolarHBondContact O-N 2.79Å | ||
| 1957 | V | 47.2 | Very low | 55.4 | Low | 73 Ų | 73 | 65 Ų | 65 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | trans | -57.7 | 128.8 | 168.5 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | N1955 E1959 D1977 | N1955-V1957 PolarHBondContact O-N 2.92Å; N1955-V1957 VanDerWaalsContact O-N 3.16Å; V1957-E1959 HydrophobicContact CG1-CG 4.48Å; V1957-E1959 PolarHBondContact O-N 2.81Å; V1957-D1977 HydrophobicContact CG1-CB 3.49Å; V1957-D1977 VanDerWaalsContact CG1-CB 3.49Å | ||
| 1958 | M | 52.2 | Low | 55.9 | Low | 83 Ų | 83 | 66 Ų | 66 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | trans | -76 | 76.6 | -173.7 | -70 | -84 | -86.9 | 0 | 0 | 109.9 | L1946 S1956 T1960 | L1946-M1958 HydrophobicContact CD1-CB 4.39Å; L1946-M1958 HydrophobicContact CD1-CE 3.49Å; L1946-M1958 VanDerWaalsContact CD1-CE 3.49Å; L1946-M1958 HydrophobicContact CD1-SD 4.05Å; L1946-M1958 HydrophobicContact CD2-CE 4.18Å; L1946-M1958 HydrophobicContact CD2-SD 3.86Å; L1946-M1958 HydrophobicContact CG-CE 4.48Å; S1956-M1958 PolarHBondContact O-N 2.79Å; M1958-T1960 PolarHBondContact O-N 2.75Å | ||
| 1959 | E | 63.7 | Low | 56.9 | Low | 90 Ų | 90 | 60.4 Ų | 60.4 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | trans | -67 | 121.3 | 177.2 | -70.3 | -177.5 | -161.1 | 0 | 0 | 110.1 | L1947 V1957 S1976 F1982 | L1947-E1959 PolarHBondContact N-O 2.93Å; V1957-E1959 HydrophobicContact CG1-CG 4.48Å; V1957-E1959 PolarHBondContact O-N 2.81Å; E1959-S1976 WeakPolarHBondContact CA-O 3.48Å; E1959-F1982 HydrophobicContact CG-CE1 4.12Å; E1959-F1982 HydrophobicContact CG-CZ 4.04Å | ||
| 1960 | T | 68.3 | Low | 58.6 | Low | 22 Ų | 22 | 59.8 Ų | 59.8 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.6 | 178.7 | 38.2 | 0 | 0 | 0 | 0 | 108.5 | F1945 L1946 M1958 S1975 S1976 V2160 | F1945-T1960 WeakPolarHBondContact O-CA 3.35Å; L1946-T1960 HydrophobicContact CB-CG2 4.4Å; L1946-T1960 HydrophobicContact CD1-CG2 3.79Å; L1946-T1960 HydrophobicContact CG-CG2 4.1Å; M1958-T1960 PolarHBondContact O-N 2.75Å; T1960-S1975 WeakPolarHBondContact O-CA 3.28Å; T1960-S1976 PolarHBondContact N-O 3.14Å; T1960-S1976 PolarHBondContact O-N 2.95Å; T1960-S1976 PolarHBondContact O-OG 3.29Å; T1960-S1976 PolarHBondContact OG1-O 2.91Å; T1960-S1976 VanDerWaalsContact OG1-O 3.08Å; T1960-S1976 PolarHBondContact OG1-OG 3.17Å; T1960-V2160 HydrophobicContact CG2-CG1 4.31Å |
| 1961 | E | 76.8 | Confident | 60.6 | Low | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.1 | 168.8 | -76.8 | -160.5 | 152.1 | 0 | 0 | 110.6 | F1945 L1947 W1963 I1973 L1974 S1975 K1985 Y2022 | F1945-E1961 HydrophobicContact CE2-CB 4.12Å; F1945-E1961 PolarHBondContact N-O 3.03Å; F1945-E1961 PolarHBondContact O-N 3.35Å; L1947-E1961 HydrophobicContact CD1-CG 3.86Å; E1961-W1963 PolarHBondContact OE2-NE1 2.95Å; E1961-I1973 HydrophobicContact CB-CG2 4.31Å; E1961-I1973 HydrophobicContact CG-CG2 4.17Å; E1961-L1974 WeakPolarHBondContact CA-O 3.42Å; E1961-S1975 PolarHBondContact OE1-OG 3.09Å; E1961-S1975 VanDerWaalsContact OE1-OG 3.12Å; E1961-K1985 IonicContact OE1-NZ 2.61Å; E1961-K1985 PolarHBondContact OE1-NZ 2.98Å; E1961-Y2022 PolarHBondContact OE1-OH 3.26Å; E1961-Y2022 WeakPolarHBondContact OE2-CE1 3.42Å |
| 1962 | L | 79.3 | Confident | 62.9 | Low | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 108.4 | 168.9 | 172.5 | 68 | 0 | 0 | 0 | 107.9 | A1944 V1964 I1973 L1974 W1981 L2163 V2165 | A1944-L1962 HydrophobicContact CB-CD1 3.82Å; L1962-V1964 HydrophobicContact CD1-CG2 4.07Å; L1962-V1964 HydrophobicContact CD2-CG2 4.02Å; L1962-V1964 HydrophobicContact CG-CG2 3.62Å; L1962-I1973 WeakPolarHBondContact O-CA 3.43Å; L1962-L1974 HydrophobicContact CB-CB 4.33Å; L1962-L1974 HydrophobicContact CD2-CD1 4.23Å; L1962-L1974 PolarHBondContact N-O 3.41Å; L1962-L1974 PolarHBondContact O-N 2.82Å; L1962-W1981 HydrophobicContact CB-CH2 4.34Å; L1962-W1981 HydrophobicContact CB-CZ3 4.4Å; L1962-W1981 HydrophobicContact CD2-CH2 3.92Å; L1962-L2163 HydrophobicContact CD2-CD2 3.94Å; L1962-V2165 HydrophobicContact CD2-CG2 4.35Å |
| 1963 | W | 81.8 | Confident | 65.4 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.4 | 173 | -72 | 44.6 | 0 | 0 | 0 | 109.3 | G1942 D1943 F1945 E1961 I1971 S1972 I1973 M1998 V2005 Y2022 | G1942-W1963 CarbonylContact C-O 3.59Å; G1942-W1963 WeakPolarHBondContact CA-O 3.4Å; D1943-W1963 PolarHBondContact N-O 2.8Å; D1943-W1963 PolarHBondContact O-N 2.88Å; F1945-W1963 HydrophobicContact CE1-CB 4.46Å; F1945-W1963 AromaticContact CE1-CD1 3.92Å; F1945-W1963 HydrophobicContact CE1-CG 4.1Å; F1945-W1963 AromaticContact CE2-NE1 3.91Å; F1945-W1963 AromaticContact CZ-CD1 3.36Å; F1945-W1963 HydrophobicContact CZ-CD2 4.07Å; F1945-W1963 AromaticContact CZ-CE2 3.78Å; F1945-W1963 AromaticContact CZ-CG 3.84Å; F1945-W1963 HydrophobicContact CZ-CG 3.84Å; F1945-W1963 AromaticContact CZ-NE1 3.37Å; E1961-W1963 PolarHBondContact OE2-NE1 2.95Å; W1963-I1971 HydrophobicContact CB-CG2 4.2Å; W1963-I1971 HydrophobicContact CD2-CG2 4.46Å; W1963-I1971 HydrophobicContact CE3-CD1 4.47Å; W1963-I1971 HydrophobicContact CE3-CG2 3.98Å; W1963-S1972 CarbonylContact C-O 3.24Å; W1963-S1972 WeakPolarHBondContact CA-O 3.33Å; W1963-I1973 HydrophobicContact CD2-CD1 3.72Å; W1963-I1973 HydrophobicContact CD2-CG1 3.74Å; W1963-I1973 VanDerWaalsContact CE2-CD1 3.41Å; W1963-I1973 HydrophobicContact CE3-CD1 4.08Å; W1963-I1973 HydrophobicContact CE3-CG1 4.28Å; W1963-I1973 HydrophobicContact CG-CD1 4.34Å; W1963-I1973 HydrophobicContact CG-CG1 3.86Å; W1963-I1973 HydrophobicContact CG-CG2 4.42Å; W1963-I1973 HydrophobicContact CH2-CD1 3.94Å; W1963-I1973 HydrophobicContact CZ2-CD1 3.56Å; W1963-I1973 HydrophobicContact CZ2-CG1 4.46Å; W1963-I1973 HydrophobicContact CZ3-CD1 4.17Å; W1963-M1998 HydrophobicContact CB-CE 3.42Å; W1963-M1998 VanDerWaalsContact CB-CE 3.42Å; W1963-M1998 WeakPolarHBondContact O-CE 3.42Å; W1963-V2005 HydrophobicContact CD2-CG1 4.48Å; W1963-V2005 HydrophobicContact CD2-CG2 4.1Å; W1963-V2005 HydrophobicContact CE3-CB 4.2Å; W1963-V2005 HydrophobicContact CE3-CG1 3.9Å; W1963-V2005 HydrophobicContact CE3-CG2 4.03Å; W1963-V2005 HydrophobicContact CH2-CB 4.35Å; W1963-V2005 HydrophobicContact CH2-CG2 3.93Å; W1963-V2005 HydrophobicContact CZ2-CG2 3.98Å; W1963-V2005 HydrophobicContact CZ3-CB 4.01Å; W1963-V2005 HydrophobicContact CZ3-CG1 4.14Å; W1963-V2005 HydrophobicContact CZ3-CG2 3.96Å; W1963-Y2022 HydrophobicContact CH2-CD1 4.01Å; W1963-Y2022 AromaticContact CZ2-CD1 3.57Å; W1963-Y2022 HydrophobicContact CZ2-CD1 3.57Å; W1963-Y2022 AromaticContact CZ2-CE1 3.9Å; W1963-Y2022 HydrophobicContact CZ2-CE1 3.9Å |
| 1964 | V | 78.2 | Confident | 67.6 | Low | 25 Ų | 25 | 41.2 Ų | 41.2 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 122.4 | -169.4 | -169.3 | 0 | 0 | 0 | 0 | 110.2 | V1939 L1962 I1971 S1972 | V1939-V1964 HydrophobicContact CB-CG1 4.08Å; V1939-V1964 HydrophobicContact CG1-CG1 3.55Å; V1939-V1964 HydrophobicContact CG2-CG1 3.37Å; L1962-V1964 HydrophobicContact CD1-CG2 4.07Å; L1962-V1964 HydrophobicContact CD2-CG2 4.02Å; L1962-V1964 HydrophobicContact CG-CG2 3.62Å; V1964-I1971 CarbonylContact O-C 3.55Å; V1964-I1971 WeakPolarHBondContact O-CA 3.37Å; V1964-S1972 PolarHBondContact N-O 3.46Å; V1964-S1972 PolarHBondContact O-N 3.23Å |
| 1965 | S | 74.4 | Confident | 69.9 | Low | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 142.4 | 174.8 | 79.7 | 0 | 0 | 0 | 0 | 112.1 | V1939 A1940 A1941 | V1939-S1965 WeakPolarHBondContact CA-O 3.5Å; A1940-S1965 PolarHBondContact N-OG 2.85Å; A1941-S1965 PolarHBondContact N-OG 2.84Å; A1941-S1965 WeakPolarHBondContact O-CB 3.46Å; A1941-S1965 PolarHBondContact O-N 2.8Å; A1941-S1965 PolarHBondContact O-OG 3.38Å |
| 1966 | R | 74.5 | Confident | 71.6 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -106.4 | 158.6 | 176.8 | -61.9 | 156.9 | 53.4 | 98.6 | 9.7 | 109.9 | D1934 D1968 G1969 R1970 S1972 | D1934-R1966 IonicContact OD1-CZ 2.74Å; D1934-R1966 IonicContact OD1-NH1 2.79Å; D1934-R1966 PolarHBondContact OD1-NH1 3.31Å; D1934-R1966 IonicContact OD1-NH2 3.38Å; D1934-R1966 PolarHBondContact OD1-NH2 3.34Å; D1934-R1966 IonicContact OD2-CZ 3.72Å; D1934-R1966 IonicContact OD2-NH1 3.93Å; D1934-R1966 PolarHBondContact OD2-NH1 2.95Å; D1934-R1966 IonicContact OD2-NH2 3.74Å; D1934-R1966 PolarHBondContact OD2-NH2 2.97Å; R1966-D1968 WeakPolarHBondContact CB-OD1 3.3Å; R1966-D1968 IonicContact CZ-OD1 3.07Å; R1966-D1968 IonicContact CZ-OD2 3.83Å; R1966-D1968 IonicContact NE-OD1 3.43Å; R1966-D1968 PolarHBondContact NE-OD1 3.39Å; R1966-D1968 IonicContact NE-OD2 2.82Å; R1966-D1968 PolarHBondContact NE-OD2 2.83Å; R1966-D1968 IonicContact NH2-OD1 2.88Å; R1966-D1968 IonicContact NH2-OD2 3.25Å; R1966-D1968 PolarHBondContact NH2-OD2 3.04Å; R1966-D1968 PolarHBondContact O-N 3.13Å; R1966-G1969 PolarHBondContact O-N 2.95Å; R1966-R1970 VanDerWaalsContact CB-O 3.3Å; R1966-R1970 WeakPolarHBondContact CB-O 3.03Å; R1966-R1970 PolarHBondContact N-O 3.23Å; R1966-S1972 WeakPolarHBondContact CD-OG 3.49Å | ||
| 1967 | A | 66.7 | Low | 73 | Confident | 67 Ų | 67 | 30.2 Ų | 30.2 | 55% | 0.554 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -12.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1968 | D | 71.1 | Confident | 73.8 | Confident | 62 Ų | 62 | 29.7 Ų | 29.7 | 33% | 0.332 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 19.2 | 177 | 67.8 | -12.5 | 0 | 0 | 0 | 113.4 | R1966 R1970 | R1966-D1968 WeakPolarHBondContact CB-OD1 3.3Å; R1966-D1968 IonicContact CZ-OD1 3.07Å; R1966-D1968 IonicContact CZ-OD2 3.83Å; R1966-D1968 IonicContact NE-OD1 3.43Å; R1966-D1968 PolarHBondContact NE-OD1 3.39Å; R1966-D1968 IonicContact NE-OD2 2.82Å; R1966-D1968 PolarHBondContact NE-OD2 2.83Å; R1966-D1968 IonicContact NH2-OD1 2.88Å; R1966-D1968 IonicContact NH2-OD2 3.25Å; R1966-D1968 PolarHBondContact NH2-OD2 3.04Å; R1966-D1968 PolarHBondContact O-N 3.13Å; D1968-R1970 PolarHBondContact O-N 3.04Å; D1968-R1970 VanDerWaalsContact O-N 3.14Å; D1968-R1970 WeakPolarHBondContact OD1-CB 3.3Å; D1968-R1970 PolarHBondContact OD1-N 3.27Å; D1968-R1970 WeakPolarHBondContact OD2-CD 3.47Å; D1968-R1970 IonicContact OD2-NE 4Å |
| 1969 | G | 68.6 | Low | 74.1 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 74.8 | -6.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1966 V1989 S1993 | R1966-G1969 PolarHBondContact O-N 2.95Å; G1969-V1989 WeakPolarHBondContact O-CB 3.29Å; G1969-S1993 VanDerWaalsContact CA-O 3.29Å; G1969-S1993 WeakPolarHBondContact CA-O 3.46Å |
| 1970 | R | 77.6 | Confident | 74.2 | Confident | 89 Ų | 89 | 25.8 Ų | 25.8 | 34% | 0.336 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 167.9 | 176.6 | -52.2 | -177.8 | 178.6 | 175.9 | -1.6 | 111 | R1966 D1968 V1987 | R1966-R1970 VanDerWaalsContact CB-O 3.3Å; R1966-R1970 WeakPolarHBondContact CB-O 3.03Å; R1966-R1970 PolarHBondContact N-O 3.23Å; D1968-R1970 PolarHBondContact O-N 3.04Å; D1968-R1970 VanDerWaalsContact O-N 3.14Å; D1968-R1970 WeakPolarHBondContact OD1-CB 3.3Å; D1968-R1970 PolarHBondContact OD1-N 3.27Å; D1968-R1970 WeakPolarHBondContact OD2-CD 3.47Å; D1968-R1970 IonicContact OD2-NE 4Å; R1970-V1987 CarbonylContact C-O 3.58Å; R1970-V1987 WeakPolarHBondContact CA-O 3.46Å; R1970-V1987 WeakPolarHBondContact CB-O 3.36Å |
| 1971 | I | 80.7 | Confident | 74.5 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124 | 174.8 | -61.8 | 172.5 | 0 | 0 | 0 | 108.1 | W1963 V1964 I1973 S1986 V1987 V1989 I1995 L2007 | W1963-I1971 HydrophobicContact CB-CG2 4.2Å; W1963-I1971 HydrophobicContact CD2-CG2 4.46Å; W1963-I1971 HydrophobicContact CE3-CD1 4.47Å; W1963-I1971 HydrophobicContact CE3-CG2 3.98Å; V1964-I1971 CarbonylContact O-C 3.55Å; V1964-I1971 WeakPolarHBondContact O-CA 3.37Å; I1971-I1973 HydrophobicContact CG2-CG1 4.14Å; I1971-S1986 CarbonylContact O-C 3.49Å; I1971-S1986 WeakPolarHBondContact O-CA 3.34Å; I1971-V1987 PolarHBondContact N-O 3.32Å; I1971-V1987 PolarHBondContact O-N 3.38Å; I1971-V1989 HydrophobicContact CD1-CG2 3.95Å; I1971-V1989 HydrophobicContact CG1-CG2 4.29Å; I1971-I1995 HydrophobicContact CG1-CG1 4.49Å; I1971-L2007 HydrophobicContact CD1-CD1 3.56Å; I1971-L2007 HydrophobicContact CD1-CD2 3.72Å; I1971-L2007 HydrophobicContact CD1-CG 4.31Å |
| 1972 | S | 81.3 | Confident | 74.5 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 133.9 | 165.3 | -77.2 | 0 | 0 | 0 | 0 | 109.1 | W1963 V1964 R1966 Y1984 | W1963-S1972 CarbonylContact C-O 3.24Å; W1963-S1972 WeakPolarHBondContact CA-O 3.33Å; V1964-S1972 PolarHBondContact N-O 3.46Å; V1964-S1972 PolarHBondContact O-N 3.23Å; R1966-S1972 WeakPolarHBondContact CD-OG 3.49Å; S1972-Y1984 WeakPolarHBondContact OG-CE2 3.28Å; S1972-Y1984 PolarHBondContact OG-OH 3.36Å; S1972-Y1984 VanDerWaalsContact OG-OH 3.05Å |
| 1973 | I | 84 | Confident | 74.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.4 | 174.6 | -57.2 | 174.1 | 0 | 0 | 0 | 107.6 | E1961 L1962 W1963 I1971 K1985 V1987 Y2022 | E1961-I1973 HydrophobicContact CB-CG2 4.31Å; E1961-I1973 HydrophobicContact CG-CG2 4.17Å; L1962-I1973 WeakPolarHBondContact O-CA 3.43Å; W1963-I1973 HydrophobicContact CD2-CD1 3.72Å; W1963-I1973 HydrophobicContact CD2-CG1 3.74Å; W1963-I1973 VanDerWaalsContact CE2-CD1 3.41Å; W1963-I1973 HydrophobicContact CE3-CD1 4.08Å; W1963-I1973 HydrophobicContact CE3-CG1 4.28Å; W1963-I1973 HydrophobicContact CG-CD1 4.34Å; W1963-I1973 HydrophobicContact CG-CG1 3.86Å; W1963-I1973 HydrophobicContact CG-CG2 4.42Å; W1963-I1973 HydrophobicContact CH2-CD1 3.94Å; W1963-I1973 HydrophobicContact CZ2-CD1 3.56Å; W1963-I1973 HydrophobicContact CZ2-CG1 4.46Å; W1963-I1973 HydrophobicContact CZ3-CD1 4.17Å; I1971-I1973 HydrophobicContact CG2-CG1 4.14Å; I1973-K1985 HydrophobicContact CB-CB 4.27Å; I1973-K1985 PolarHBondContact N-O 2.78Å; I1973-K1985 PolarHBondContact O-N 3Å; I1973-V1987 HydrophobicContact CD1-CG2 3.5Å; I1973-V1987 HydrophobicContact CG1-CG2 4.39Å; I1973-Y2022 HydrophobicContact CD1-CD1 3.53Å; I1973-Y2022 HydrophobicContact CD1-CE1 3.76Å; I1973-Y2022 HydrophobicContact CG2-CE1 4.43Å |
| 1974 | L | 80.3 | Confident | 74.7 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.7 | 175.8 | -81.9 | 158.7 | 0 | 0 | 0 | 109.3 | L531 L1932 E1961 L1962 W1981 Y1984 | L531-L1974 HydrophobicContact CD2-CD2 3.99Å; L1932-L1974 HydrophobicContact CD1-CD1 4.25Å; L1932-L1974 HydrophobicContact CD2-CD1 4.15Å; L1932-L1974 HydrophobicContact CD2-CD2 4.03Å; L1932-L1974 HydrophobicContact CD2-CG 4.43Å; E1961-L1974 WeakPolarHBondContact CA-O 3.42Å; L1962-L1974 HydrophobicContact CB-CB 4.33Å; L1962-L1974 HydrophobicContact CD2-CD1 4.23Å; L1962-L1974 PolarHBondContact N-O 3.41Å; L1962-L1974 PolarHBondContact O-N 2.82Å; L1974-W1981 HydrophobicContact CB-CE3 3.74Å; L1974-W1981 HydrophobicContact CB-CH2 4.32Å; L1974-W1981 HydrophobicContact CB-CZ3 3.47Å; L1974-W1981 VanDerWaalsContact CB-CZ3 3.47Å; L1974-W1981 HydrophobicContact CD1-CZ3 4.42Å; L1974-W1981 HydrophobicContact CD2-CE3 4.13Å; L1974-W1981 HydrophobicContact CG-CE3 4.41Å; L1974-W1981 HydrophobicContact CG-CZ3 4.39Å; L1974-Y1984 HydrophobicContact CD2-CD2 3.99Å; L1974-Y1984 HydrophobicContact CD2-CG 4.03Å; L1974-Y1984 HydrophobicContact CG-CD2 4.08Å |
| 1975 | S | 81.6 | Confident | 75 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.6 | 177.6 | -44.9 | 0 | 0 | 0 | 0 | 109.3 | T1960 E1961 F1982 E1983 K1985 | T1960-S1975 WeakPolarHBondContact O-CA 3.28Å; E1961-S1975 PolarHBondContact OE1-OG 3.09Å; E1961-S1975 VanDerWaalsContact OE1-OG 3.12Å; S1975-F1982 WeakPolarHBondContact O-CD1 3.43Å; S1975-F1982 PolarHBondContact O-N 3.22Å; S1975-E1983 PolarHBondContact N-O 3.17Å; S1975-E1983 PolarHBondContact O-N 3.42Å; S1975-K1985 PolarHBondContact OG-NZ 3.15Å |
| 1976 | S | 74.4 | Confident | 75.4 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.6 | 179.7 | 38.7 | 0 | 0 | 0 | 0 | 112.4 | E1959 T1960 G1980 W1981 F1982 | E1959-S1976 WeakPolarHBondContact CA-O 3.48Å; T1960-S1976 PolarHBondContact N-O 3.14Å; T1960-S1976 PolarHBondContact O-N 2.95Å; T1960-S1976 PolarHBondContact O-OG 3.29Å; T1960-S1976 PolarHBondContact OG1-O 2.91Å; T1960-S1976 VanDerWaalsContact OG1-O 3.08Å; T1960-S1976 PolarHBondContact OG1-OG 3.17Å; S1976-G1980 CarbonylContact C-O 3.37Å; S1976-G1980 VanDerWaalsContact CA-O 3.25Å; S1976-G1980 WeakPolarHBondContact CA-O 3.26Å; S1976-G1980 WeakPolarHBondContact CB-O 3.47Å; S1976-W1981 WeakPolarHBondContact OG-CZ3 3.46Å; S1976-F1982 VanDerWaalsContact C-CE1 3.46Å |
| 1977 | D | 69.9 | Low | 75.9 | Confident | 45 Ų | 45 | 31.8 Ų | 31.8 | 24% | 0.241 | 17% | 0.17 | C | C | . | . | trans | -115.7 | -169.7 | 172.5 | 74.5 | -6.5 | 0 | 0 | 0 | 111.5 | V1957 H1979 G1980 F1982 | V1957-D1977 HydrophobicContact CG1-CB 3.49Å; V1957-D1977 VanDerWaalsContact CG1-CB 3.49Å; D1977-H1979 PolarHBondContact O-N 3.27Å; D1977-H1979 VanDerWaalsContact OD1-CA 3.3Å; D1977-H1979 WeakPolarHBondContact OD1-CA 3.46Å; D1977-H1979 WeakPolarHBondContact OD1-CB 3.2Å; D1977-H1979 PolarHBondContact OD1-N 3.13Å; D1977-H1979 IonicContact OD2-CD2 2.71Å; D1977-G1980 PolarHBondContact N-O 3.18Å; D1977-G1980 PolarHBondContact OD1-N 3.22Å; D1977-G1980 VanDerWaalsContact OD1-O 3.13Å; D1977-F1982 HydrophobicContact CB-CD1 3.97Å; D1977-F1982 HydrophobicContact CB-CE1 4.04Å | ||
| 1978 | S | 64.7 | Low | 76.5 | Confident | 62 Ų | 62 | 30.8 Ų | 30.8 | 43% | 0.434 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -68.1 | 5.4 | 174.9 | 47.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1979 | H | 58.6 | Low | 76.4 | Confident | 78 Ų | 78 | 28 Ų | 28 | 36% | 0.361 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -132.2 | -24 | -172.3 | -53.6 | -51.9 | 0 | 0 | 0 | 113.4 | L1888 D1977 | L1888-H1979 HydrophobicContact CD2-CB 3.79Å; D1977-H1979 PolarHBondContact O-N 3.27Å; D1977-H1979 VanDerWaalsContact OD1-CA 3.3Å; D1977-H1979 WeakPolarHBondContact OD1-CA 3.46Å; D1977-H1979 WeakPolarHBondContact OD1-CB 3.2Å; D1977-H1979 PolarHBondContact OD1-N 3.13Å; D1977-H1979 IonicContact OD2-CD2 2.71Å |
| 1980 | G | 66.5 | Low | 76.3 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 164.2 | -159.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1976 D1977 | S1976-G1980 CarbonylContact C-O 3.37Å; S1976-G1980 VanDerWaalsContact CA-O 3.25Å; S1976-G1980 WeakPolarHBondContact CA-O 3.26Å; S1976-G1980 WeakPolarHBondContact CB-O 3.47Å; D1977-G1980 PolarHBondContact N-O 3.18Å; D1977-G1980 PolarHBondContact OD1-N 3.22Å; D1977-G1980 VanDerWaalsContact OD1-O 3.13Å |
| 1981 | W | 74.3 | Confident | 75.4 | Confident | 43 Ų | 43 | 36 Ų | 36 | 16% | 0.163 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 133.4 | 174 | -59.2 | 99.6 | 0 | 0 | 0 | 109.8 | L531 R533 V1930 L1962 L1974 S1976 L2163 | L531-W1981 HydrophobicContact CD1-CB 4.01Å; R533-W1981 PolarHBondContact NH2-O 2.67Å; V1930-W1981 HydrophobicContact CG1-CB 4.03Å; V1930-W1981 HydrophobicContact CG1-CG 4.31Å; V1930-W1981 HydrophobicContact CG2-CB 4.2Å; V1930-W1981 VanDerWaalsContact CG2-CD1 3.49Å; V1930-W1981 HydrophobicContact CG2-CD2 4.33Å; V1930-W1981 HydrophobicContact CG2-CG 3.72Å; L1962-W1981 HydrophobicContact CB-CH2 4.34Å; L1962-W1981 HydrophobicContact CB-CZ3 4.4Å; L1962-W1981 HydrophobicContact CD2-CH2 3.92Å; L1974-W1981 HydrophobicContact CB-CE3 3.74Å; L1974-W1981 HydrophobicContact CB-CH2 4.32Å; L1974-W1981 HydrophobicContact CB-CZ3 3.47Å; L1974-W1981 VanDerWaalsContact CB-CZ3 3.47Å; L1974-W1981 HydrophobicContact CD1-CZ3 4.42Å; L1974-W1981 HydrophobicContact CD2-CE3 4.13Å; L1974-W1981 HydrophobicContact CG-CE3 4.41Å; L1974-W1981 HydrophobicContact CG-CZ3 4.39Å; S1976-W1981 WeakPolarHBondContact OG-CZ3 3.46Å; W1981-L2163 HydrophobicContact CH2-CD1 3.98Å; W1981-L2163 HydrophobicContact CH2-CD2 4.01Å; W1981-L2163 HydrophobicContact CH2-CG 4.25Å; W1981-L2163 HydrophobicContact CZ2-CD2 4.09Å; W1981-L2163 HydrophobicContact CZ2-CG 4.39Å |
| 1982 | F | 75.8 | Confident | 74.4 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 37% | 0.368 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | -25.7 | 179.8 | 67.9 | -100.1 | 0 | 0 | 0 | 114.5 | L531 E1959 S1975 S1976 D1977 | L531-F1982 VanDerWaalsContact CD1-C 3.48Å; E1959-F1982 HydrophobicContact CG-CE1 4.12Å; E1959-F1982 HydrophobicContact CG-CZ 4.04Å; S1975-F1982 WeakPolarHBondContact O-CD1 3.43Å; S1975-F1982 PolarHBondContact O-N 3.22Å; S1976-F1982 VanDerWaalsContact C-CE1 3.46Å; D1977-F1982 HydrophobicContact CB-CD1 3.97Å; D1977-F1982 HydrophobicContact CB-CE1 4.04Å |
| 1983 | E | 81.3 | Confident | 73.6 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 146.4 | 178.2 | -150.6 | 175.9 | -177.2 | 0 | 0 | 112.4 | S1975 K1985 | S1975-E1983 PolarHBondContact N-O 3.17Å; S1975-E1983 PolarHBondContact O-N 3.42Å; E1983-K1985 VanDerWaalsContact CD-NZ 3.33Å; E1983-K1985 HydrophobicContact CG-CG 4.42Å; E1983-K1985 VanDerWaalsContact OE1-CE 3.27Å; E1983-K1985 WeakPolarHBondContact OE1-CE 3.45Å; E1983-K1985 IonicContact OE1-NZ 3.53Å; E1983-K1985 WeakPolarHBondContact OE2-CE 3.48Å; E1983-K1985 IonicContact OE2-NZ 2.69Å; E1983-K1985 PolarHBondContact OE2-NZ 2.91Å |
| 1984 | Y | 84 | Confident | 72.9 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.2 | 171.4 | 173.8 | -145.3 | 0 | 0 | 0 | 109.8 | H529 L1932 S1972 L1974 | H529-Y1984 HydrophobicContact CB-CD1 3.41Å; H529-Y1984 VanDerWaalsContact CB-CD1 3.41Å; H529-Y1984 HydrophobicContact CB-CE1 3.66Å; H529-Y1984 HydrophobicContact CB-CG 4.14Å; H529-Y1984 AromaticContact CD2-CE1 3.74Å; H529-Y1984 AromaticContact CD2-CZ 3.82Å; H529-Y1984 AromaticContact CG-CD1 3.99Å; H529-Y1984 AromaticContact CG-CE1 3.76Å; H529-Y1984 PolarHBondContact N-O 2.88Å; L1932-Y1984 HydrophobicContact CB-CE1 4.5Å; L1932-Y1984 HydrophobicContact CD2-CD1 3.78Å; L1932-Y1984 HydrophobicContact CD2-CD2 4.24Å; L1932-Y1984 HydrophobicContact CD2-CE1 3.76Å; L1932-Y1984 HydrophobicContact CD2-CE2 4.22Å; L1932-Y1984 HydrophobicContact CD2-CG 4.09Å; S1972-Y1984 WeakPolarHBondContact OG-CE2 3.28Å; S1972-Y1984 PolarHBondContact OG-OH 3.36Å; S1972-Y1984 VanDerWaalsContact OG-OH 3.05Å; L1974-Y1984 HydrophobicContact CD2-CD2 3.99Å; L1974-Y1984 HydrophobicContact CD2-CG 4.03Å; L1974-Y1984 HydrophobicContact CG-CD2 4.08Å |
| 1985 | K | 85.2 | Confident | 72.5 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 7% | 0.065 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 161 | 179.5 | -49.5 | 169.3 | -179.3 | 109.9 | 0 | 109.7 | V526 V527 E1961 I1973 S1975 E1983 Y2022 | V526-K1985 HydrophobicContact CG1-CB 4.31Å; V527-K1985 CarbonylContact O-C 3.6Å; V527-K1985 WeakPolarHBondContact O-CA 3.06Å; E1961-K1985 IonicContact OE1-NZ 2.61Å; E1961-K1985 PolarHBondContact OE1-NZ 2.98Å; I1973-K1985 HydrophobicContact CB-CB 4.27Å; I1973-K1985 PolarHBondContact N-O 2.78Å; I1973-K1985 PolarHBondContact O-N 3Å; S1975-K1985 PolarHBondContact OG-NZ 3.15Å; E1983-K1985 VanDerWaalsContact CD-NZ 3.33Å; E1983-K1985 HydrophobicContact CG-CG 4.42Å; E1983-K1985 VanDerWaalsContact OE1-CE 3.27Å; E1983-K1985 WeakPolarHBondContact OE1-CE 3.45Å; E1983-K1985 IonicContact OE1-NZ 3.53Å; E1983-K1985 WeakPolarHBondContact OE2-CE 3.48Å; E1983-K1985 IonicContact OE2-NZ 2.69Å; E1983-K1985 PolarHBondContact OE2-NZ 2.91Å; K1985-Y2022 HydrophobicContact CD-CE1 4.44Å; K1985-Y2022 HydrophobicContact CD-CE2 4.24Å; K1985-Y2022 PolarHBondContact NZ-OH 3.14Å |
| 1986 | S | 83.2 | Confident | 71.7 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131.9 | 164.1 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | S525 V526 V527 H529 I1971 | S525-S1986 VanDerWaalsContact O-O 3.13Å; V526-S1986 WeakPolarHBondContact CA-O 3.43Å; V527-S1986 PolarHBondContact N-O 2.75Å; V527-S1986 PolarHBondContact O-N 3.14Å; H529-S1986 PolarHBondContact NE2-OG 2.77Å; I1971-S1986 CarbonylContact O-C 3.49Å; I1971-S1986 WeakPolarHBondContact O-CA 3.34Å |
| 1987 | V | 84.5 | Confident | 71.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.2 | 178.2 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | S525 V526 R1970 I1971 I1973 Y2017 | S525-V1987 CarbonylContact O-C 3.6Å; S525-V1987 VanDerWaalsContact O-CA 3.29Å; S525-V1987 WeakPolarHBondContact O-CA 3.29Å; V526-V1987 HydrophobicContact CG1-CG2 4.4Å; V526-V1987 HydrophobicContact CG2-CG2 4.21Å; R1970-V1987 CarbonylContact C-O 3.58Å; R1970-V1987 WeakPolarHBondContact CA-O 3.46Å; R1970-V1987 WeakPolarHBondContact CB-O 3.36Å; I1971-V1987 PolarHBondContact N-O 3.32Å; I1971-V1987 PolarHBondContact O-N 3.38Å; I1973-V1987 HydrophobicContact CD1-CG2 3.5Å; I1973-V1987 HydrophobicContact CG1-CG2 4.39Å; V1987-Y2017 HydrophobicContact CG1-CE1 4.15Å |
| 1988 | S | 78.1 | Confident | 71.4 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 116.4 | 172.5 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | S525 | S525-S1988 VanDerWaalsContact CA-OG 3.27Å; S525-S1988 WeakPolarHBondContact CA-OG 3.48Å; S525-S1988 VanDerWaalsContact CB-OG 3.29Å; S525-S1988 WeakPolarHBondContact CB-OG 3.43Å; S525-S1988 PolarHBondContact O-N 2.99Å |
| 1989 | V | 70 | Confident | 71.7 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 164.5 | 150.7 | -159.9 | 0 | 0 | 0 | 0 | 107.2 | G1969 I1971 I1995 L2007 | G1969-V1989 WeakPolarHBondContact O-CB 3.29Å; I1971-V1989 HydrophobicContact CD1-CG2 3.95Å; I1971-V1989 HydrophobicContact CG1-CG2 4.29Å; V1989-I1995 HydrophobicContact CB-CD1 4.37Å; V1989-I1995 HydrophobicContact CG1-CD1 4.32Å; V1989-I1995 HydrophobicContact CG2-CD1 4.17Å; V1989-L2007 HydrophobicContact CG2-CD1 4.14Å |
| 1990 | N | 66.9 | Low | 72.2 | Confident | 97 Ų | 97 | 45.5 Ų | 45.5 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -50 | 144.5 | -171.2 | -74.6 | -11.8 | 0 | 0 | 0 | 113.6 | D1992 S1993 R2015 | N1990-D1992 PolarHBondContact O-N 3Å; N1990-S1993 WeakPolarHBondContact O-CB 3.17Å; N1990-S1993 PolarHBondContact O-N 2.93Å; N1990-R2015 PolarHBondContact ND2-NH2 3.08Å; N1990-R2015 VanDerWaalsContact ND2-NH2 3.11Å |
| 1991 | E | 57.4 | Low | 72.2 | Confident | 165 Ų | 165 | 45.8 Ų | 45.8 | 77% | 0.771 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -7 | -169.3 | -56.5 | -169.9 | 131 | 0 | 0 | 115.8 | ||
| 1992 | D | 60.9 | Low | 72 | Confident | 159 Ų | 159 | 46.5 Ų | 46.5 | 85% | 0.85 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 0.9 | 174.6 | -69.4 | -59.8 | 0 | 0 | 0 | 113.7 | N1990 | N1990-D1992 PolarHBondContact O-N 3Š|
| 1993 | S | 64.7 | Low | 71.8 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | trans | -99.3 | 99.4 | -167.3 | -73.7 | 0 | 0 | 0 | 0 | 113.6 | G1969 N1990 I1995 E2009 | G1969-S1993 VanDerWaalsContact CA-O 3.29Å; G1969-S1993 WeakPolarHBondContact CA-O 3.46Å; N1990-S1993 WeakPolarHBondContact O-CB 3.17Å; N1990-S1993 PolarHBondContact O-N 2.93Å; S1993-I1995 PolarHBondContact O-N 2.92Å; S1993-E2009 VanDerWaalsContact CB-CD 3.45Å; S1993-E2009 WeakPolarHBondContact CB-OE2 3.42Å; S1993-E2009 PolarHBondContact OG-OE1 2.85Å; S1993-E2009 PolarHBondContact OG-OE2 3.34Å | ||
| 1994 | I | 69.4 | Low | 71.4 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | trans | -76 | 119.9 | 173.2 | -59.5 | 174.4 | 0 | 0 | 0 | 110.6 | E2009 L2010 | I1994-E2009 WeakPolarHBondContact O-CA 3.46Å; I1994-L2010 HydrophobicContact CB-CB 4.46Å; I1994-L2010 PolarHBondContact O-N 3.14Å | ||
| 1995 | I | 71 | Confident | 71.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120 | 172.8 | -48.2 | -58.5 | 0 | 0 | 0 | 110 | A1940 A1941 I1971 V1989 S1993 M1998 L2007 S2008 E2009 | A1940-I1995 WeakPolarHBondContact CB-O 3.49Å; A1941-I1995 HydrophobicContact CB-CG2 4.26Å; I1971-I1995 HydrophobicContact CG1-CG1 4.49Å; V1989-I1995 HydrophobicContact CB-CD1 4.37Å; V1989-I1995 HydrophobicContact CG1-CD1 4.32Å; V1989-I1995 HydrophobicContact CG2-CD1 4.17Å; S1993-I1995 PolarHBondContact O-N 2.92Å; I1995-M1998 HydrophobicContact CG2-CG 3.86Å; I1995-M1998 HydrophobicContact CG2-SD 4.2Å; I1995-L2007 HydrophobicContact CD1-CB 4.37Å; I1995-L2007 HydrophobicContact CD1-CD1 4.35Å; I1995-L2007 HydrophobicContact CG2-CB 4.37Å; I1995-L2007 HydrophobicContact CG2-CD2 4.45Å; I1995-S2008 CarbonylContact C-O 3.56Å; I1995-S2008 WeakPolarHBondContact CA-O 3.46Å; I1995-E2009 HydrophobicContact CD1-CG 4.34Å |
| 1996 | T | 65.3 | Low | 70.8 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -24.1 | -175.3 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | S2008 L2010 | T1996-S2008 PolarHBondContact N-O 3.34Å; T1996-S2008 PolarHBondContact OG1-O 3Å; T1996-S2008 VanDerWaalsContact OG1-O 3.14Å; T1996-S2008 PolarHBondContact OG1-OG 2.92Å; T1996-L2010 HydrophobicContact CG2-CB 3.72Å; T1996-L2010 HydrophobicContact CG2-CD1 3.88Å; T1996-L2010 HydrophobicContact CG2-CG 4.39Å |
| 1997 | A | 65.1 | Low | 70.6 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 154.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | S2008 | A1997-S2008 WeakPolarHBondContact CB-OG 3.2Å; A1997-S2008 PolarHBondContact N-OG 3.05Å; A1997-S2008 VanDerWaalsContact N-OG 3.14Å; A1997-S2008 PolarHBondContact O-N 2.93Å |
| 1998 | M | 73.3 | Confident | 70 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.3 | 178.3 | -74.1 | 170.5 | 51.8 | 0 | 0 | 109.5 | A1941 D1943 W1963 I1995 W2006 L2007 | A1941-M1998 HydrophobicContact CB-CB 4.25Å; A1941-M1998 HydrophobicContact CB-CG 3.84Å; A1941-M1998 HydrophobicContact CB-SD 3.94Å; D1943-M1998 HydrophobicContact CB-CB 4.1Å; D1943-M1998 HydrophobicContact CB-CE 4.17Å; W1963-M1998 HydrophobicContact CB-CE 3.42Å; W1963-M1998 VanDerWaalsContact CB-CE 3.42Å; W1963-M1998 WeakPolarHBondContact O-CE 3.42Å; I1995-M1998 HydrophobicContact CG2-CG 3.86Å; I1995-M1998 HydrophobicContact CG2-SD 4.2Å; M1998-W2006 WeakPolarHBondContact CA-O 3.45Å; M1998-L2007 HydrophobicContact CG-CD2 3.69Å; M1998-L2007 HydrophobicContact SD-CD2 4.28Å |
| 1999 | C | 70 | Confident | 69.8 | Low | 19 Ų | 19 | 44.8 Ų | 44.8 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 123.5 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 111 | D1943 W2006 L2072 | D1943-C1999 WeakPolarHBondContact OD2-CA 3.29Å; C1999-W2006 PolarHBondContact N-O 3.25Å; C1999-W2006 PolarHBondContact O-N 3.2Å; C1999-L2072 HydrophobicContact CB-CB 3.76Å; C1999-L2072 HydrophobicContact CB-CD1 4.24Å |
| 2000 | L | 69.5 | Low | 69.6 | Low | 54 Ų | 54 | 49.1 Ų | 49.1 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131.3 | 166.9 | -169.5 | 80.5 | 0 | 0 | 0 | 111.3 | D1943 F1945 R2004 V2005 A2019 | D1943-L2000 PolarHBondContact OD2-N 2.94Å; F1945-L2000 HydrophobicContact CB-CD2 3.8Å; F1945-L2000 HydrophobicContact CD1-CB 4.14Å; F1945-L2000 HydrophobicContact CD1-CD1 4.12Å; F1945-L2000 HydrophobicContact CD1-CG 4.5Å; F1945-L2000 HydrophobicContact CD2-CD1 4.16Å; F1945-L2000 HydrophobicContact CD2-CD2 4.49Å; F1945-L2000 HydrophobicContact CE1-CD1 4.24Å; F1945-L2000 HydrophobicContact CE2-CD1 4.27Å; F1945-L2000 HydrophobicContact CG-CB 4.47Å; F1945-L2000 HydrophobicContact CG-CD1 4.07Å; F1945-L2000 HydrophobicContact CG-CD2 4.05Å; F1945-L2000 HydrophobicContact CG-CG 4.42Å; F1945-L2000 HydrophobicContact CZ-CD1 4.3Å; L2000-R2004 WeakPolarHBondContact CA-O 3.33Å; L2000-V2005 HydrophobicContact CD1-CG2 4.19Å; L2000-A2019 HydrophobicContact CD1-CB 4.43Å |
| 2001 | V | 66.6 | Low | 69.6 | Low | 19 Ų | 19 | 48.8 Ų | 48.8 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 98.8 | 173 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | D2003 R2004 W2006 V2060 | V2001-D2003 PolarHBondContact O-N 3.32Å; V2001-R2004 PolarHBondContact N-O 2.96Å; V2001-R2004 PolarHBondContact O-N 3.18Å; V2001-W2006 HydrophobicContact CG1-CZ2 4.48Å; V2001-W2006 HydrophobicContact CG2-CD2 4.4Å; V2001-W2006 HydrophobicContact CG2-CG 4.16Å; V2001-V2060 HydrophobicContact CB-CG2 4.34Å; V2001-V2060 HydrophobicContact CG1-CG2 3.54Å; V2001-V2060 HydrophobicContact CG2-CG2 3.81Å |
| 2002 | G | 69.1 | Low | 70 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 59% | 0.588 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -123.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2004 | G2002-R2004 PolarHBondContact O-N 2.85Š|
| 2003 | D | 71.9 | Confident | 70.5 | Confident | 86 Ų | 86 | 35.8 Ų | 35.8 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 17.6 | -179.3 | 68.5 | -35.8 | 0 | 0 | 0 | 114.4 | V2001 A2019 | V2001-D2003 PolarHBondContact O-N 3.32Å; D2003-A2019 PolarHBondContact O-N 2.87Å |
| 2004 | R | 72.8 | Confident | 71 | Confident | 80 Ų | 80 | 35.4 Ų | 35.4 | 30% | 0.302 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 132.2 | -161.2 | -41.5 | -177 | -175.9 | -166.3 | -9.6 | 113.4 | L2000 V2001 G2002 I2016 Y2017 L2025 | L2000-R2004 WeakPolarHBondContact CA-O 3.33Å; V2001-R2004 PolarHBondContact N-O 2.96Å; V2001-R2004 PolarHBondContact O-N 3.18Å; G2002-R2004 PolarHBondContact O-N 2.85Å; R2004-I2016 HydrophobicContact CB-CG2 3.73Å; R2004-I2016 HydrophobicContact CG-CG2 4.34Å; R2004-Y2017 CarbonylContact C-O 3.55Å; R2004-Y2017 WeakPolarHBondContact CA-O 3.33Å; R2004-L2025 HydrophobicContact CB-CD1 4.48Å; R2004-L2025 HydrophobicContact CG-CD1 3.9Å |
| 2005 | V | 78.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.6 | 171.5 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | F1945 W1963 L2000 L2007 I2016 Y2017 A2019 | F1945-V2005 HydrophobicContact CE1-CG2 3.73Å; F1945-V2005 HydrophobicContact CE2-CG2 4.37Å; F1945-V2005 HydrophobicContact CZ-CG2 3.41Å; F1945-V2005 VanDerWaalsContact CZ-CG2 3.41Å; W1963-V2005 HydrophobicContact CD2-CG1 4.48Å; W1963-V2005 HydrophobicContact CD2-CG2 4.1Å; W1963-V2005 HydrophobicContact CE3-CB 4.2Å; W1963-V2005 HydrophobicContact CE3-CG1 3.9Å; W1963-V2005 HydrophobicContact CE3-CG2 4.03Å; W1963-V2005 HydrophobicContact CH2-CB 4.35Å; W1963-V2005 HydrophobicContact CH2-CG2 3.93Å; W1963-V2005 HydrophobicContact CZ2-CG2 3.98Å; W1963-V2005 HydrophobicContact CZ3-CB 4.01Å; W1963-V2005 HydrophobicContact CZ3-CG1 4.14Å; W1963-V2005 HydrophobicContact CZ3-CG2 3.96Å; L2000-V2005 HydrophobicContact CD1-CG2 4.19Å; V2005-L2007 HydrophobicContact CG1-CD2 3.85Å; V2005-I2016 WeakPolarHBondContact O-CA 3.44Å; V2005-Y2017 PolarHBondContact N-O 3.01Å; V2005-Y2017 PolarHBondContact O-N 2.74Å; V2005-A2019 HydrophobicContact CG2-CB 4.32Å |
| 2006 | W | 78.7 | Confident | 72.1 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135 | 172.3 | -68.4 | 51.3 | 0 | 0 | 0 | 109.2 | M1998 C1999 V2001 V2014 R2015 I2016 F2028 W2057 V2060 L2072 | M1998-W2006 WeakPolarHBondContact CA-O 3.45Å; C1999-W2006 PolarHBondContact N-O 3.25Å; C1999-W2006 PolarHBondContact O-N 3.2Å; V2001-W2006 HydrophobicContact CG1-CZ2 4.48Å; V2001-W2006 HydrophobicContact CG2-CD2 4.4Å; V2001-W2006 HydrophobicContact CG2-CG 4.16Å; W2006-V2014 HydrophobicContact CE3-CG1 3.83Å; W2006-V2014 HydrophobicContact CZ3-CG1 4.45Å; W2006-R2015 WeakPolarHBondContact CA-O 3.39Å; W2006-I2016 HydrophobicContact CD2-CD1 3.8Å; W2006-I2016 HydrophobicContact CD2-CG1 3.76Å; W2006-I2016 HydrophobicContact CE3-CD1 4.04Å; W2006-I2016 HydrophobicContact CE3-CG1 4.13Å; W2006-I2016 HydrophobicContact CG-CG1 4.03Å; W2006-I2016 HydrophobicContact CH2-CD1 3.93Å; W2006-I2016 HydrophobicContact CZ2-CD1 3.67Å; W2006-I2016 HydrophobicContact CZ3-CD1 4.1Å; W2006-F2028 HydrophobicContact CE3-CE1 4.49Å; W2006-F2028 HydrophobicContact CZ3-CE1 4.01Å; W2006-F2028 AromaticContact CZ3-CZ 3.96Å; W2006-F2028 HydrophobicContact CZ3-CZ 3.96Å; W2006-W2057 AromaticContact CH2-CE3 3.93Å; W2006-W2057 HydrophobicContact CH2-CE3 3.93Å; W2006-W2057 AromaticContact CH2-CZ3 3.82Å; W2006-W2057 HydrophobicContact CH2-CZ3 3.82Å; W2006-W2057 AromaticContact CZ2-CE3 3.77Å; W2006-W2057 HydrophobicContact CZ2-CE3 3.77Å; W2006-W2057 AromaticContact CZ2-CZ3 3.51Å; W2006-W2057 HydrophobicContact CZ2-CZ3 3.51Å; W2006-V2060 HydrophobicContact CH2-CG2 4.41Å; W2006-V2060 HydrophobicContact CZ2-CG2 4.26Å; W2006-L2072 HydrophobicContact CB-CD1 3.75Å; W2006-L2072 HydrophobicContact CD2-CD2 4.35Å; W2006-L2072 HydrophobicContact CE3-CD2 3.54Å; W2006-L2072 HydrophobicContact CZ3-CD2 4.03Å |
| 2007 | L | 78 | Confident | 72.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.9 | -179.6 | -49.4 | 176 | 0 | 0 | 0 | 108.4 | I1971 V1989 I1995 M1998 V2005 V2014 R2015 Y2017 | I1971-L2007 HydrophobicContact CD1-CD1 3.56Å; I1971-L2007 HydrophobicContact CD1-CD2 3.72Å; I1971-L2007 HydrophobicContact CD1-CG 4.31Å; V1989-L2007 HydrophobicContact CG2-CD1 4.14Å; I1995-L2007 HydrophobicContact CD1-CB 4.37Å; I1995-L2007 HydrophobicContact CD1-CD1 4.35Å; I1995-L2007 HydrophobicContact CG2-CB 4.37Å; I1995-L2007 HydrophobicContact CG2-CD2 4.45Å; M1998-L2007 HydrophobicContact CG-CD2 3.69Å; M1998-L2007 HydrophobicContact SD-CD2 4.28Å; V2005-L2007 HydrophobicContact CG1-CD2 3.85Å; L2007-V2014 CarbonylContact O-C 3.53Å; L2007-V2014 VanDerWaalsContact O-CA 3.26Å; L2007-V2014 WeakPolarHBondContact O-CA 3.46Å; L2007-R2015 HydrophobicContact CB-CB 4.41Å; L2007-R2015 HydrophobicContact CD1-CB 4.42Å; L2007-R2015 PolarHBondContact N-O 3.09Å; L2007-R2015 PolarHBondContact O-N 2.74Å; L2007-Y2017 HydrophobicContact CD1-CD2 3.51Å; L2007-Y2017 HydrophobicContact CD1-CE2 3.46Å; L2007-Y2017 VanDerWaalsContact CD1-CE2 3.46Å; L2007-Y2017 HydrophobicContact CD1-CG 4.5Å; L2007-Y2017 HydrophobicContact CG-CD2 4.19Å |
| 2008 | S | 72.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131 | 163 | 68.9 | 0 | 0 | 0 | 0 | 110.9 | I1995 T1996 A1997 | I1995-S2008 CarbonylContact C-O 3.56Å; I1995-S2008 WeakPolarHBondContact CA-O 3.46Å; T1996-S2008 PolarHBondContact N-O 3.34Å; T1996-S2008 PolarHBondContact OG1-O 3Å; T1996-S2008 VanDerWaalsContact OG1-O 3.14Å; T1996-S2008 PolarHBondContact OG1-OG 2.92Å; A1997-S2008 WeakPolarHBondContact CB-OG 3.2Å; A1997-S2008 PolarHBondContact N-OG 3.05Å; A1997-S2008 VanDerWaalsContact N-OG 3.14Å; A1997-S2008 PolarHBondContact O-N 2.93Å |
| 2009 | E | 73.7 | Confident | 73.9 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 151.7 | 166 | -64.8 | -175.9 | -156.5 | 0 | 0 | 110.8 | S1993 I1994 I1995 T2011 G2012 M2013 R2015 | S1993-E2009 VanDerWaalsContact CB-CD 3.45Å; S1993-E2009 WeakPolarHBondContact CB-OE2 3.42Å; S1993-E2009 PolarHBondContact OG-OE1 2.85Å; S1993-E2009 PolarHBondContact OG-OE2 3.34Å; I1994-E2009 WeakPolarHBondContact O-CA 3.46Å; I1995-E2009 HydrophobicContact CD1-CG 4.34Å; E2009-T2011 WeakPolarHBondContact CB-OG1 3.47Å; E2009-T2011 PolarHBondContact O-N 3.33Å; E2009-T2011 PolarHBondContact OE2-OG1 3.39Å; E2009-G2012 PolarHBondContact O-N 2.89Å; E2009-M2013 HydrophobicContact CB-CB 4.25Å; E2009-M2013 HydrophobicContact CG-CB 4.4Å; E2009-M2013 PolarHBondContact N-O 3.25Å; E2009-R2015 IonicContact OE1-CZ 3.93Å; E2009-R2015 VanDerWaalsContact OE1-CZ 3.25Å; E2009-R2015 IonicContact OE1-NE 2.72Å; E2009-R2015 PolarHBondContact OE1-NE 3.41Å; E2009-R2015 IonicContact OE1-NH2 3.86Å; E2009-R2015 PolarHBondContact OE1-NH2 3.46Å |
| 2010 | L | 66.1 | Low | 74.1 | Confident | 94 Ų | 94 | 33.5 Ų | 33.5 | 49% | 0.492 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -22.7 | 169.9 | -173.8 | 64.3 | 0 | 0 | 0 | 113.3 | I1994 T1996 G2012 | I1994-L2010 HydrophobicContact CB-CB 4.46Å; I1994-L2010 PolarHBondContact O-N 3.14Å; T1996-L2010 HydrophobicContact CG2-CB 3.72Å; T1996-L2010 HydrophobicContact CG2-CD1 3.88Å; T1996-L2010 HydrophobicContact CG2-CG 4.39Å; L2010-G2012 PolarHBondContact O-N 3.41Å |
| 2011 | T | 68.1 | Low | 74.5 | Confident | 90 Ų | 90 | 35 Ų | 35 | 55% | 0.552 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -4.9 | 177.2 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | E2009 M2013 | E2009-T2011 WeakPolarHBondContact CB-OG1 3.47Å; E2009-T2011 PolarHBondContact O-N 3.33Å; E2009-T2011 PolarHBondContact OE2-OG1 3.39Å; T2011-M2013 VanDerWaalsContact C-N 3.28Å; T2011-M2013 WeakPolarHBondContact OG1-CB 3.42Å |
| 2012 | G | 64.9 | Low | 75.2 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 75.6 | 17.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E2009 L2010 I2030 | E2009-G2012 PolarHBondContact O-N 2.89Å; L2010-G2012 PolarHBondContact O-N 3.41Å; G2012-I2030 PolarHBondContact O-N 3.31Å |
| 2013 | M | 71.5 | Confident | 75.7 | Confident | 34 Ų | 34 | 35 Ų | 35 | 17% | 0.167 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.7 | 171.4 | -125.6 | -88 | -77.1 | 0 | 0 | 108.9 | E2009 T2011 R2015 N2027 | E2009-M2013 HydrophobicContact CB-CB 4.25Å; E2009-M2013 HydrophobicContact CG-CB 4.4Å; E2009-M2013 PolarHBondContact N-O 3.25Å; T2011-M2013 VanDerWaalsContact C-N 3.28Å; T2011-M2013 WeakPolarHBondContact OG1-CB 3.42Å; M2013-R2015 HydrophobicContact CE-CG 3.86Å; M2013-N2027 HydrophobicContact CE-CB 4.01Å; M2013-N2027 HydrophobicContact SD-CB 3.73Å |
| 2014 | V | 74.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.5 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | W2006 L2007 N2027 F2028 I2030 V2070 | W2006-V2014 HydrophobicContact CE3-CG1 3.83Å; W2006-V2014 HydrophobicContact CZ3-CG1 4.45Å; L2007-V2014 CarbonylContact O-C 3.53Å; L2007-V2014 VanDerWaalsContact O-CA 3.26Å; L2007-V2014 WeakPolarHBondContact O-CA 3.46Å; V2014-N2027 CarbonylContact O-C 3.6Å; V2014-N2027 VanDerWaalsContact O-CA 3.24Å; V2014-N2027 WeakPolarHBondContact O-CA 3.46Å; V2014-F2028 HydrophobicContact CB-CD1 4.24Å; V2014-F2028 HydrophobicContact CB-CD2 4.42Å; V2014-F2028 HydrophobicContact CB-CE1 3.77Å; V2014-F2028 HydrophobicContact CB-CE2 3.97Å; V2014-F2028 HydrophobicContact CB-CZ 3.62Å; V2014-F2028 HydrophobicContact CG1-CD1 4.44Å; V2014-F2028 HydrophobicContact CG1-CE1 3.62Å; V2014-F2028 HydrophobicContact CG1-CE2 4.48Å; V2014-F2028 HydrophobicContact CG1-CZ 3.65Å; V2014-F2028 HydrophobicContact CG2-CE2 4.2Å; V2014-F2028 HydrophobicContact CG2-CZ 4.11Å; V2014-F2028 PolarHBondContact N-O 2.74Å; V2014-F2028 PolarHBondContact O-N 2.85Å; V2014-I2030 HydrophobicContact CG2-CD1 3.72Å; V2014-I2030 HydrophobicContact CG2-CG1 4.34Å; V2014-V2070 HydrophobicContact CG2-CG1 4.39Å |
| 2015 | R | 80.7 | Confident | 76.5 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 6% | 0.064 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 150.9 | 173.2 | -56.8 | -173.9 | -172.5 | -130.3 | 7.3 | 110.1 | N1990 W2006 L2007 E2009 M2013 Y2017 E2024 N2027 | N1990-R2015 PolarHBondContact ND2-NH2 3.08Å; N1990-R2015 VanDerWaalsContact ND2-NH2 3.11Å; W2006-R2015 WeakPolarHBondContact CA-O 3.39Å; L2007-R2015 HydrophobicContact CB-CB 4.41Å; L2007-R2015 HydrophobicContact CD1-CB 4.42Å; L2007-R2015 PolarHBondContact N-O 3.09Å; L2007-R2015 PolarHBondContact O-N 2.74Å; E2009-R2015 IonicContact OE1-CZ 3.93Å; E2009-R2015 VanDerWaalsContact OE1-CZ 3.25Å; E2009-R2015 IonicContact OE1-NE 2.72Å; E2009-R2015 PolarHBondContact OE1-NE 3.41Å; E2009-R2015 IonicContact OE1-NH2 3.86Å; E2009-R2015 PolarHBondContact OE1-NH2 3.46Å; M2013-R2015 HydrophobicContact CE-CG 3.86Å; R2015-Y2017 HydrophobicContact CB-CD2 4.22Å; R2015-Y2017 HydrophobicContact CB-CE2 3.83Å; R2015-E2024 WeakPolarHBondContact CD-OE2 3.39Å; R2015-E2024 IonicContact CZ-OE2 2.74Å; R2015-E2024 IonicContact NE-OE2 2.95Å; R2015-E2024 IonicContact NH1-OE1 3.59Å; R2015-E2024 IonicContact NH1-OE2 3.15Å; R2015-E2024 PolarHBondContact NH1-OE2 2.74Å; R2015-N2027 HydrophobicContact CB-CB 4.46Å; R2015-N2027 HydrophobicContact CG-CB 3.99Å |
| 2016 | I | 82.2 | Confident | 76.3 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 119.6 | 178.7 | -55.2 | 179 | 0 | 0 | 0 | 107.1 | R2004 V2005 W2006 E2024 L2025 F2026 F2028 W2057 | R2004-I2016 HydrophobicContact CB-CG2 3.73Å; R2004-I2016 HydrophobicContact CG-CG2 4.34Å; V2005-I2016 WeakPolarHBondContact O-CA 3.44Å; W2006-I2016 HydrophobicContact CD2-CD1 3.8Å; W2006-I2016 HydrophobicContact CD2-CG1 3.76Å; W2006-I2016 HydrophobicContact CE3-CD1 4.04Å; W2006-I2016 HydrophobicContact CE3-CG1 4.13Å; W2006-I2016 HydrophobicContact CG-CG1 4.03Å; W2006-I2016 HydrophobicContact CH2-CD1 3.93Å; W2006-I2016 HydrophobicContact CZ2-CD1 3.67Å; W2006-I2016 HydrophobicContact CZ3-CD1 4.1Å; I2016-E2024 CarbonylContact O-C 3.55Å; I2016-L2025 HydrophobicContact CG2-CB 4.43Å; I2016-L2025 HydrophobicContact CG2-CD1 4.37Å; I2016-L2025 WeakPolarHBondContact O-CB 3.33Å; I2016-L2025 PolarHBondContact O-N 3.35Å; I2016-F2026 HydrophobicContact CB-CB 4.47Å; I2016-F2026 HydrophobicContact CD1-CB 4.43Å; I2016-F2026 PolarHBondContact N-O 2.84Å; I2016-F2026 PolarHBondContact O-N 3.24Å; I2016-F2028 HydrophobicContact CD1-CE1 4.3Å; I2016-W2057 HydrophobicContact CD1-CH2 4Å; I2016-W2057 HydrophobicContact CD1-CZ3 3.7Å |
| 2017 | Y | 83.8 | Confident | 76.2 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 147.1 | 177 | -78.2 | -108.6 | 0 | 0 | 0 | 109.9 | V1987 R2004 V2005 L2007 R2015 Y2022 S2023 E2024 | V1987-Y2017 HydrophobicContact CG1-CE1 4.15Å; R2004-Y2017 CarbonylContact C-O 3.55Å; R2004-Y2017 WeakPolarHBondContact CA-O 3.33Å; V2005-Y2017 PolarHBondContact N-O 3.01Å; V2005-Y2017 PolarHBondContact O-N 2.74Å; L2007-Y2017 HydrophobicContact CD1-CD2 3.51Å; L2007-Y2017 HydrophobicContact CD1-CE2 3.46Å; L2007-Y2017 VanDerWaalsContact CD1-CE2 3.46Å; L2007-Y2017 HydrophobicContact CD1-CG 4.5Å; L2007-Y2017 HydrophobicContact CG-CD2 4.19Å; R2015-Y2017 HydrophobicContact CB-CD2 4.22Å; R2015-Y2017 HydrophobicContact CB-CE2 3.83Å; Y2017-Y2022 WeakPolarHBondContact CD1-O 3.38Å; Y2017-S2023 WeakPolarHBondContact CA-O 3.44Å; Y2017-E2024 HydrophobicContact CD1-CB 4.4Å; Y2017-E2024 HydrophobicContact CD2-CG 4.34Å; Y2017-E2024 HydrophobicContact CE1-CB 4.02Å; Y2017-E2024 HydrophobicContact CE2-CB 4.21Å; Y2017-E2024 HydrophobicContact CE2-CG 3.9Å; Y2017-E2024 PolarHBondContact OH-OE2 3.4Å |
| 2018 | C | 82.5 | Confident | 75.8 | Confident | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.095 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 128.6 | 169 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | K2020 T2021 Y2022 S2023 L2025 | C2018-K2020 VanDerWaalsContact C-N 3.25Å; C2018-K2020 PolarHBondContact O-N 2.84Å; C2018-T2021 VanDerWaalsContact CB-OG1 3.28Å; C2018-T2021 WeakPolarHBondContact CB-OG1 3.33Å; C2018-Y2022 WeakPolarHBondContact O-CA 3.41Å; C2018-Y2022 PolarHBondContact O-N 3.33Å; C2018-S2023 PolarHBondContact N-O 2.82Å; C2018-L2025 HydrophobicContact CB-CD1 3.78Å; C2018-L2025 HydrophobicContact CB-CD2 4.04Å; C2018-L2025 HydrophobicContact CB-CG 3.85Å |
| 2019 | A | 75.8 | Confident | 75.4 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1945 L2000 D2003 V2005 | F1945-A2019 HydrophobicContact CE2-CB 4.22Å; L2000-A2019 HydrophobicContact CD1-CB 4.43Å; D2003-A2019 PolarHBondContact O-N 2.87Å; V2005-A2019 HydrophobicContact CG2-CB 4.32Å |
| 2020 | K | 74.5 | Confident | 74.8 | Confident | 106 Ų | 106 | 48.7 Ų | 48.7 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -17.9 | -176.2 | -63.1 | -162.5 | 176.4 | -172.8 | 0 | 115.5 | L1947 D1949 C2018 | L1947-K2020 HydrophobicContact CD2-CG 4.3Å; D1949-K2020 IonicContact OD1-NZ 3.95Å; D1949-K2020 PolarHBondContact OD1-NZ 2.63Å; C2018-K2020 VanDerWaalsContact C-N 3.25Å; C2018-K2020 PolarHBondContact O-N 2.84Å |
| 2021 | T | 76.9 | Confident | 74 | Confident | 85 Ų | 85 | 47.9 Ų | 47.9 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -6 | -177.6 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | C2018 S2023 | C2018-T2021 VanDerWaalsContact CB-OG1 3.28Å; C2018-T2021 WeakPolarHBondContact CB-OG1 3.33Å; T2021-S2023 PolarHBondContact O-N 2.77Å; T2021-S2023 PolarHBondContact OG1-OG 3.11Å |
| 2022 | Y | 82.5 | Confident | 72.7 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | trans | 57.1 | 11.3 | -176.8 | -42.4 | -75.9 | 0 | 0 | 0 | 115 | E1961 W1963 I1973 K1985 Y2017 C2018 | E1961-Y2022 PolarHBondContact OE1-OH 3.26Å; E1961-Y2022 WeakPolarHBondContact OE2-CE1 3.42Å; W1963-Y2022 HydrophobicContact CH2-CD1 4.01Å; W1963-Y2022 AromaticContact CZ2-CD1 3.57Å; W1963-Y2022 HydrophobicContact CZ2-CD1 3.57Å; W1963-Y2022 AromaticContact CZ2-CE1 3.9Å; W1963-Y2022 HydrophobicContact CZ2-CE1 3.9Å; I1973-Y2022 HydrophobicContact CD1-CD1 3.53Å; I1973-Y2022 HydrophobicContact CD1-CE1 3.76Å; I1973-Y2022 HydrophobicContact CG2-CE1 4.43Å; K1985-Y2022 HydrophobicContact CD-CE1 4.44Å; K1985-Y2022 HydrophobicContact CD-CE2 4.24Å; K1985-Y2022 PolarHBondContact NZ-OH 3.14Å; Y2017-Y2022 WeakPolarHBondContact CD1-O 3.38Å; C2018-Y2022 WeakPolarHBondContact O-CA 3.41Å; C2018-Y2022 PolarHBondContact O-N 3.33Å | ||
| 2023 | S | 78.9 | Confident | 71.7 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 24% | 0.238 | 29% | 0.292 | C | S | . | . | trans | -88.4 | 141.5 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | Y2017 C2018 T2021 L2025 | Y2017-S2023 WeakPolarHBondContact CA-O 3.44Å; C2018-S2023 PolarHBondContact N-O 2.82Å; T2021-S2023 PolarHBondContact O-N 2.77Å; T2021-S2023 PolarHBondContact OG1-OG 3.11Å; S2023-L2025 PolarHBondContact O-N 3.31Å | ||
| 2024 | E | 82.4 | Confident | 70.2 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 114.3 | 174 | -163.8 | -179.8 | 127.1 | 0 | 0 | 109.7 | R2015 I2016 Y2017 N2027 | R2015-E2024 WeakPolarHBondContact CD-OE2 3.39Å; R2015-E2024 IonicContact CZ-OE2 2.74Å; R2015-E2024 IonicContact NE-OE2 2.95Å; R2015-E2024 IonicContact NH1-OE1 3.59Å; R2015-E2024 IonicContact NH1-OE2 3.15Å; R2015-E2024 PolarHBondContact NH1-OE2 2.74Å; I2016-E2024 CarbonylContact O-C 3.55Å; Y2017-E2024 HydrophobicContact CD1-CB 4.4Å; Y2017-E2024 HydrophobicContact CD2-CG 4.34Å; Y2017-E2024 HydrophobicContact CE1-CB 4.02Å; Y2017-E2024 HydrophobicContact CE2-CB 4.21Å; Y2017-E2024 HydrophobicContact CE2-CG 3.9Å; Y2017-E2024 PolarHBondContact OH-OE2 3.4Å; E2024-N2027 WeakPolarHBondContact OE1-CB 3.5Å; E2024-N2027 PolarHBondContact OE1-ND2 3.34Å |
| 2025 | L | 79 | Confident | 68 | Low | 73 Ų | 73 | 65 Ų | 65 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -36.9 | -179.9 | -70.1 | 174.9 | 0 | 0 | 0 | 112.4 | R2004 I2016 C2018 S2023 | R2004-L2025 HydrophobicContact CB-CD1 4.48Å; R2004-L2025 HydrophobicContact CG-CD1 3.9Å; I2016-L2025 HydrophobicContact CG2-CB 4.43Å; I2016-L2025 HydrophobicContact CG2-CD1 4.37Å; I2016-L2025 WeakPolarHBondContact O-CB 3.33Å; I2016-L2025 PolarHBondContact O-N 3.35Å; C2018-L2025 HydrophobicContact CB-CD1 3.78Å; C2018-L2025 HydrophobicContact CB-CD2 4.04Å; C2018-L2025 HydrophobicContact CB-CG 3.85Å; S2023-L2025 PolarHBondContact O-N 3.31Å |
| 2026 | F | 75.4 | Confident | 65.7 | Low | 131 Ų | 131 | 69 Ų | 69 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 154.8 | -176.8 | -142.1 | -96.5 | 0 | 0 | 0 | 110.9 | I2016 | I2016-F2026 HydrophobicContact CB-CB 4.47Å; I2016-F2026 HydrophobicContact CD1-CB 4.43Å; I2016-F2026 PolarHBondContact N-O 2.84Å; I2016-F2026 PolarHBondContact O-N 3.24Å |
| 2027 | N | 75.7 | Confident | 63.3 | Low | 75 Ų | 75 | 77.5 Ų | 77.5 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.5 | 163.6 | 69.5 | 60.8 | 0 | 0 | 0 | 111.2 | M2013 V2014 R2015 E2024 | M2013-N2027 HydrophobicContact CE-CB 4.01Å; M2013-N2027 HydrophobicContact SD-CB 3.73Å; V2014-N2027 CarbonylContact O-C 3.6Å; V2014-N2027 VanDerWaalsContact O-CA 3.24Å; V2014-N2027 WeakPolarHBondContact O-CA 3.46Å; R2015-N2027 HydrophobicContact CB-CB 4.46Å; R2015-N2027 HydrophobicContact CG-CB 3.99Å; E2024-N2027 WeakPolarHBondContact OE1-CB 3.5Å; E2024-N2027 PolarHBondContact OE1-ND2 3.34Å |
| 2028 | F | 70.2 | Confident | 60.7 | Low | 45 Ų | 45 | 84 Ų | 84 | 20% | 0.197 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 144.9 | 173.9 | 63.6 | -85.1 | 0 | 0 | 0 | 111 | W2006 V2014 I2016 I2030 M2051 L2062 | W2006-F2028 HydrophobicContact CE3-CE1 4.49Å; W2006-F2028 HydrophobicContact CZ3-CE1 4.01Å; W2006-F2028 AromaticContact CZ3-CZ 3.96Å; W2006-F2028 HydrophobicContact CZ3-CZ 3.96Å; V2014-F2028 HydrophobicContact CB-CD1 4.24Å; V2014-F2028 HydrophobicContact CB-CD2 4.42Å; V2014-F2028 HydrophobicContact CB-CE1 3.77Å; V2014-F2028 HydrophobicContact CB-CE2 3.97Å; V2014-F2028 HydrophobicContact CB-CZ 3.62Å; V2014-F2028 HydrophobicContact CG1-CD1 4.44Å; V2014-F2028 HydrophobicContact CG1-CE1 3.62Å; V2014-F2028 HydrophobicContact CG1-CE2 4.48Å; V2014-F2028 HydrophobicContact CG1-CZ 3.65Å; V2014-F2028 HydrophobicContact CG2-CE2 4.2Å; V2014-F2028 HydrophobicContact CG2-CZ 4.11Å; V2014-F2028 PolarHBondContact N-O 2.74Å; V2014-F2028 PolarHBondContact O-N 2.85Å; I2016-F2028 HydrophobicContact CD1-CE1 4.3Å; F2028-I2030 HydrophobicContact CD2-CG1 4.29Å; F2028-I2030 HydrophobicContact CE2-CG1 3.97Å; F2028-M2051 HydrophobicContact CE2-CE 4.22Å; F2028-L2062 HydrophobicContact CE2-CD1 4.3Å; F2028-L2062 HydrophobicContact CZ-CD1 4.24Å |
| 2029 | S | 64.2 | Low | 58.2 | Low | 53 Ų | 53 | 92.6 Ų | 92.6 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.8 | 170.5 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | A2031 P2032 | S2029-A2031 PolarHBondContact O-N 2.68Å; S2029-A2031 VanDerWaalsContact OG-CB 3.3Å; S2029-A2031 WeakPolarHBondContact OG-CB 3.49Å; S2029-A2031 PolarHBondContact OG-N 2.82Å; S2029-P2032 VanDerWaalsContact O-CD 3.27Å; S2029-P2032 WeakPolarHBondContact O-CD 3.24Å |
| 2030 | I | 61 | Low | 55.9 | Low | 31 Ų | 31 | 98.8 Ų | 98.8 | 16% | 0.159 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -78.2 | -12.1 | 174.9 | -61.6 | 169.7 | 0 | 0 | 0 | 111.2 | G2012 V2014 F2028 P2032 L2062 L2064 V2070 | G2012-I2030 PolarHBondContact O-N 3.31Å; V2014-I2030 HydrophobicContact CG2-CD1 3.72Å; V2014-I2030 HydrophobicContact CG2-CG1 4.34Å; F2028-I2030 HydrophobicContact CD2-CG1 4.29Å; F2028-I2030 HydrophobicContact CE2-CG1 3.97Å; I2030-P2032 VanDerWaalsContact O-CD 3.3Å; I2030-P2032 WeakPolarHBondContact O-CD 3.46Å; I2030-P2032 VanDerWaalsContact O-N 3.13Å; I2030-L2062 HydrophobicContact CD1-CD2 4.25Å; I2030-L2064 HydrophobicContact CG2-CD1 3.82Å; I2030-L2064 HydrophobicContact CG2-CD2 4.1Å; I2030-L2064 HydrophobicContact CG2-CG 4.29Å; I2030-V2070 HydrophobicContact CD1-CG1 3.83Å; I2030-V2070 HydrophobicContact CD1-CG2 3.84Å |
| 2031 | A | 48.3 | Very low | 53.8 | Low | 78 Ų | 78 | 97.8 Ų | 97.8 | 65% | 0.645 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -18.7 | -174 | 0 | 0 | 0 | 0 | 0 | 118.8 | S2029 F2033 | S2029-A2031 PolarHBondContact O-N 2.68Å; S2029-A2031 VanDerWaalsContact OG-CB 3.3Å; S2029-A2031 WeakPolarHBondContact OG-CB 3.49Å; S2029-A2031 PolarHBondContact OG-N 2.82Å; A2031-F2033 PolarHBondContact O-N 2.84Å |
| 2032 | P | 41.3 | Very low | 51.6 | Low | 99 Ų | 99 | 100 Ų | 100 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -20 | -179.3 | -24.2 | 35.4 | 0 | 0 | 0 | 116.7 | S2029 I2030 | S2029-P2032 VanDerWaalsContact O-CD 3.27Å; S2029-P2032 WeakPolarHBondContact O-CD 3.24Å; I2030-P2032 VanDerWaalsContact O-CD 3.3Å; I2030-P2032 WeakPolarHBondContact O-CD 3.46Å; I2030-P2032 VanDerWaalsContact O-N 3.13Å |
| 2033 | F | 43.8 | Very low | 49 | Very low | 149 Ų | 149 | 101 Ų | 101 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -99.1 | -4.2 | -156.9 | -73.2 | -82.9 | 0 | 0 | 0 | 117.2 | A2031 | A2031-F2033 PolarHBondContact O-N 2.84Š|
| 2034 | A | 40.1 | Very low | 46.9 | Very low | 86 Ų | 86 | 107.7 Ų | 107.7 | 71% | 0.711 | 63% | 0.627 | S | S | * | * | trans | -132.4 | 49.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2035 | L | 28.5 | Very low | 44.5 | Very low | 165 Ų | 165 | 113 Ų | 113 | 86% | 0.864 | 65% | 0.652 | S | S | * | * | trans | -137.4 | 57.8 | 172.5 | -95.6 | 175.3 | 0 | 0 | 0 | 113.6 | ||||
| 2036 | A | 33.2 | Very low | 42.5 | Very low | 103 Ų | 103 | 112.9 Ų | 112.9 | 85% | 0.851 | 65% | 0.651 | S | S | * | * | trans | -100.6 | 142 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2037 | K | 30.4 | Very low | 40.8 | Very low | 178 Ų | 178 | 113.6 Ų | 113.6 | 77% | 0.774 | 66% | 0.656 | S | S | * | * | trans | -101.8 | 158.1 | -174.7 | -80.2 | -174.4 | 174 | -179 | 0 | 113.2 | ||||
| 2038 | D | 30.2 | Very low | 39.1 | Very low | 148 Ų | 148 | 113.7 Ų | 113.7 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | trans | 81.1 | 144 | 161.5 | -52.6 | -39.6 | 0 | 0 | 0 | 117.8 | ||||
| 2039 | E | 28.9 | Very low | 37.6 | Very low | 193 Ų | 193 | 116.7 Ų | 116.7 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | 57.3 | 86.3 | 173 | -57.3 | -166.1 | 173 | 0 | 0 | 119.7 | ||||
| 2040 | C | 28.4 | Very low | 36.4 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 93% | 0.926 | 69% | 0.688 | S | S | * | * | -169.7 | 144.6 | 110.6 | -128.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2041 | A | 31.1 | Very low | 35.4 | Very low | 85 Ų | 85 | 127.1 Ų | 127.1 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | trans | -102.6 | 153.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2042 | S | 29.6 | Very low | 34.7 | Very low | 132 Ų | 132 | 132 Ų | 132 | 92% | 0.923 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 56 | 77.8 | 176.9 | 54 | 0 | 0 | 0 | 0 | 116.2 | ||
| 2043 | G | 28.5 | Very low | 34.4 | Very low | 62 Ų | 62 | 130.3 Ų | 130.3 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | 171.5 | 100.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H2045 | G2043-H2045 PolarHBondContact O-N 3.03Š| ||
| 2044 | F | 35.2 | Very low | 34.3 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 77% | 0.768 | 72% | 0.716 | S | S | * | * | trans | -77.3 | 101.6 | 175.2 | -73.1 | -87.3 | 0 | 0 | 0 | 110 | ||||
| 2045 | H | 31.8 | Very low | 34.3 | Very low | 175 Ų | 175 | 133 Ų | 133 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | -86 | 121.8 | 170.7 | -90.8 | -90.4 | 0 | 0 | 0 | 110.9 | G2043 H2047 | G2043-H2045 PolarHBondContact O-N 3.03Å; H2045-H2047 PolarHBondContact O-N 2.97Å | ||
| 2046 | L | 37.5 | Very low | 35.1 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 37% | 0.366 | 73% | 0.725 | S | S | . | * | trans | -76.9 | 110.9 | 169.4 | -166 | 79.6 | 0 | 0 | 0 | 108.7 | V2048 T2063 A2085 | L2046-V2048 HydrophobicContact CD2-CG2 3.92Å; L2046-V2048 HydrophobicContact CG-CG2 4.21Å; L2046-V2048 PolarHBondContact O-N 2.8Å; L2046-T2063 HydrophobicContact CD1-CG2 3.85Å; L2046-T2063 HydrophobicContact CD2-CG2 4.34Å; L2046-T2063 HydrophobicContact CG-CG2 4.23Å; L2046-A2085 HydrophobicContact CD2-CB 3.76Å | ||
| 2047 | H | 38.2 | Very low | 35.8 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 68% | 0.676 | 70% | 0.703 | S | S | * | * | trans | -87.4 | 91.3 | -176.7 | -141.9 | -81.8 | 0 | 0 | 0 | 110.8 | H2045 E2049 | H2045-H2047 PolarHBondContact O-N 2.97Å; H2047-E2049 PolarHBondContact O-N 3.14Å | ||
| 2048 | V | 40.1 | Very low | 36.5 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 47% | 0.473 | 71% | 0.705 | S | S | . | * | trans | -89.1 | 88.6 | 177.3 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | L2046 V2061 | L2046-V2048 HydrophobicContact CD2-CG2 3.92Å; L2046-V2048 HydrophobicContact CG-CG2 4.21Å; L2046-V2048 PolarHBondContact O-N 2.8Å; V2048-V2061 HydrophobicContact CG1-CG1 4.19Å | ||
| 2049 | E | 39.5 | Very low | 37.6 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 51% | 0.505 | 68% | 0.684 | S | S | . | * | trans | -81 | 119.3 | 170.4 | -72 | -152.3 | 131.4 | 0 | 0 | 111.5 | H2047 | H2047-E2049 PolarHBondContact O-N 3.14Š| ||
| 2050 | R | 38.7 | Very low | 38.5 | Very low | 177 Ų | 177 | 120.5 Ų | 120.5 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | trans | -73.8 | 123.1 | 152.6 | -84 | -179.8 | 166.8 | 159.6 | -4.2 | 108 | F2052 | R2050-F2052 VanDerWaalsContact C-N 3.26Å; R2050-F2052 HydrophobicContact CB-CD2 3.73Å; R2050-F2052 HydrophobicContact CB-CE2 3.53Å; R2050-F2052 HydrophobicContact CB-CZ 4.29Å; R2050-F2052 HydrophobicContact CG-CE2 4.3Å; R2050-F2052 WeakPolarHBondContact O-CD2 3.26Å; R2050-F2052 PolarHBondContact O-N 3.45Å | ||
| 2051 | M | 40.2 | Very low | 39.5 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 62% | 0.616 | 62% | 0.615 | S | S | * | * | trans | -68.4 | 81.6 | 169.1 | -78.6 | -171.5 | 172.4 | 0 | 0 | 111.2 | F2028 G2053 L2062 | F2028-M2051 HydrophobicContact CE2-CE 4.22Å; M2051-G2053 PolarHBondContact O-N 2.94Å; M2051-G2053 VanDerWaalsContact O-N 3.07Å; M2051-L2062 HydrophobicContact CE-CD1 4.37Å | ||
| 2052 | F | 33.1 | Very low | 40.4 | Very low | 181 Ų | 181 | 112.7 Ų | 112.7 | 79% | 0.794 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 89.8 | 168.4 | -75.5 | -79 | 0 | 0 | 0 | 109.9 | R2050 | R2050-F2052 VanDerWaalsContact C-N 3.26Å; R2050-F2052 HydrophobicContact CB-CD2 3.73Å; R2050-F2052 HydrophobicContact CB-CE2 3.53Å; R2050-F2052 HydrophobicContact CB-CZ 4.29Å; R2050-F2052 HydrophobicContact CG-CE2 4.3Å; R2050-F2052 WeakPolarHBondContact O-CD2 3.26Å; R2050-F2052 PolarHBondContact O-N 3.45Å |
| 2053 | G | 36.2 | Very low | 41.4 | Very low | 64 Ų | 64 | 106.7 Ų | 106.7 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -173.8 | -9.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117 | M2051 | M2051-G2053 PolarHBondContact O-N 2.94Å; M2051-G2053 VanDerWaalsContact O-N 3.07Å |
| 2054 | L | 39.9 | Very low | 42.2 | Very low | 119 Ų | 119 | 108.2 Ų | 108.2 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | trans | -136.1 | 105.5 | 177.1 | -69.2 | 171.1 | 0 | 0 | 0 | 110 | K2056 W2057 | L2054-K2056 PolarHBondContact O-N 2.98Å; L2054-W2057 HydrophobicContact CB-CG 4.32Å; L2054-W2057 PolarHBondContact O-N 2.86Å | ||
| 2055 | D | 40.6 | Very low | 42.8 | Very low | 173 Ų | 173 | 102.2 Ų | 102.2 | 93% | 0.925 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 29.3 | -170.1 | -60.1 | -40.2 | 0 | 0 | 0 | 116 | ||
| 2056 | K | 45.5 | Very low | 43.4 | Very low | 190 Ų | 190 | 100.6 Ų | 100.6 | 83% | 0.826 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.4 | 1.9 | 178.2 | -67.4 | -169.6 | 175.6 | -174.6 | 0 | 114.9 | L2054 | L2054-K2056 PolarHBondContact O-N 2.98Š|
| 2057 | W | 49.1 | Very low | 43.7 | Very low | 106 Ų | 106 | 103.8 Ų | 103.8 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | trans | -120.9 | 27.8 | -164.8 | -63.4 | 68.5 | 0 | 0 | 0 | 113.9 | W2006 I2016 L2054 Q2059 | W2006-W2057 AromaticContact CH2-CE3 3.93Å; W2006-W2057 HydrophobicContact CH2-CE3 3.93Å; W2006-W2057 AromaticContact CH2-CZ3 3.82Å; W2006-W2057 HydrophobicContact CH2-CZ3 3.82Å; W2006-W2057 AromaticContact CZ2-CE3 3.77Å; W2006-W2057 HydrophobicContact CZ2-CE3 3.77Å; W2006-W2057 AromaticContact CZ2-CZ3 3.51Å; W2006-W2057 HydrophobicContact CZ2-CZ3 3.51Å; I2016-W2057 HydrophobicContact CD1-CH2 4Å; I2016-W2057 HydrophobicContact CD1-CZ3 3.7Å; L2054-W2057 HydrophobicContact CB-CG 4.32Å; L2054-W2057 PolarHBondContact O-N 2.86Å; W2057-Q2059 PolarHBondContact O-N 2.85Å | ||
| 2058 | S | 44.2 | Very low | 44.1 | Very low | 116 Ų | 116 | 97.9 Ų | 97.9 | 81% | 0.811 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 26.8 | -168 | 62.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2059 | Q | 54.2 | Low | 44.4 | Very low | 74 Ų | 74 | 97.9 Ų | 97.9 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -2.6 | -168.6 | -74.2 | 176.1 | -42.7 | 0 | 0 | 115.2 | W2057 H2074 T2075 S2077 | W2057-Q2059 PolarHBondContact O-N 2.85Å; Q2059-H2074 CarbonylContact O-C 3.6Å; Q2059-T2075 PolarHBondContact O-N 2.93Å; Q2059-T2075 PolarHBondContact O-OG1 2.92Å; Q2059-S2077 PolarHBondContact NE2-OG 2.89Å |
| 2060 | V | 47.5 | Very low | 44.9 | Very low | 37 Ų | 37 | 92.9 Ų | 92.9 | 22% | 0.224 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | -179.3 | -175 | 0 | 0 | 0 | 0 | 110.8 | V2001 W2006 L2072 C2073 | V2001-V2060 HydrophobicContact CB-CG2 4.34Å; V2001-V2060 HydrophobicContact CG1-CG2 3.54Å; V2001-V2060 HydrophobicContact CG2-CG2 3.81Å; W2006-V2060 HydrophobicContact CH2-CG2 4.41Å; W2006-V2060 HydrophobicContact CZ2-CG2 4.26Å; V2060-L2072 HydrophobicContact CG1-CD2 4Å; V2060-C2073 WeakPolarHBondContact CA-O 3.46Å |
| 2061 | V | 49 | Very low | 45.4 | Very low | 25 Ų | 25 | 86.9 Ų | 86.9 | 15% | 0.152 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.4 | 168.9 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | V2048 C2073 T2075 | V2048-V2061 HydrophobicContact CG1-CG1 4.19Å; V2061-C2073 PolarHBondContact N-O 3.05Å; V2061-C2073 PolarHBondContact O-N 3.48Å; V2061-C2073 VanDerWaalsContact O-N 3.08Å; V2061-T2075 HydrophobicContact CG2-CG2 4Å |
| 2062 | L | 49.7 | Very low | 46 | Very low | 34 Ų | 34 | 82 Ų | 82 | 18% | 0.178 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.9 | 169.5 | -83.4 | 160.3 | 0 | 0 | 0 | 108.8 | F2028 I2030 M2051 V2070 L2071 L2072 | F2028-L2062 HydrophobicContact CE2-CD1 4.3Å; F2028-L2062 HydrophobicContact CZ-CD1 4.24Å; I2030-L2062 HydrophobicContact CD1-CD2 4.25Å; M2051-L2062 HydrophobicContact CE-CD1 4.37Å; L2062-V2070 HydrophobicContact CD2-CG1 3.55Å; L2062-L2071 WeakPolarHBondContact CA-O 3.14Å; L2062-L2072 HydrophobicContact CD2-CD2 3.51Å; L2062-L2072 HydrophobicContact CD2-CG 4.21Å; L2062-L2072 HydrophobicContact CG-CD2 4.19Å |
| 2063 | T | 50.8 | Low | 46.7 | Very low | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.5 | 172.8 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | L2046 L2071 | L2046-T2063 HydrophobicContact CD1-CG2 3.85Å; L2046-T2063 HydrophobicContact CD2-CG2 4.34Å; L2046-T2063 HydrophobicContact CG-CG2 4.23Å; T2063-L2071 PolarHBondContact N-O 3Å; T2063-L2071 PolarHBondContact O-N 3.24Å |
| 2064 | L | 46.2 | Very low | 47.3 | Very low | 95 Ų | 95 | 75.7 Ų | 75.7 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 129.3 | 170.8 | -77.5 | 163.9 | 0 | 0 | 0 | 110 | I2030 V2070 | I2030-L2064 HydrophobicContact CG2-CD1 3.82Å; I2030-L2064 HydrophobicContact CG2-CD2 4.1Å; I2030-L2064 HydrophobicContact CG2-CG 4.29Å; L2064-V2070 HydrophobicContact CD2-CG2 4.41Å |
| 2065 | C | 47.6 | Very low | 47.7 | Very low | 49 Ų | 49 | 72.3 Ų | 72.3 | 33% | 0.331 | 40% | 0.395 | S | S | . | . | trans | -103.2 | -177.6 | 159 | -67.8 | 0 | 0 | 0 | 0 | 110 | T2069 | C2065-T2069 PolarHBondContact N-O 3.22Š| ||
| 2066 | E | 43.8 | Very low | 47.9 | Very low | 140 Ų | 140 | 70.4 Ų | 70.4 | 65% | 0.654 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -53.9 | 151.2 | 176.4 | -77.9 | -174.1 | 156.5 | 0 | 0 | 112.1 | G2068 | E2066-G2068 PolarHBondContact O-N 3.3Š|
| 2067 | P | 43.9 | Very low | 47.6 | Very low | 137 Ų | 137 | 65.9 Ų | 65.9 | 89% | 0.89 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 118.3 | -133.7 | 22.8 | -34.7 | 0 | 0 | 0 | 114.4 | ||
| 2068 | G | 46.6 | Very low | 47.3 | Very low | 23 Ų | 23 | 66.3 Ų | 66.3 | 24% | 0.237 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 138.1 | -17.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E2066 | E2066-G2068 PolarHBondContact O-N 3.3Š|
| 2069 | T | 46 | Very low | 47 | Very low | 78 Ų | 78 | 65.5 Ų | 65.5 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | trans | -109 | 121.3 | -176.5 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | C2065 | C2065-T2069 PolarHBondContact N-O 3.22Š| ||
| 2070 | V | 50.6 | Low | 46.2 | Very low | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.4 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | V2014 I2030 L2062 L2064 | V2014-V2070 HydrophobicContact CG2-CG1 4.39Å; I2030-V2070 HydrophobicContact CD1-CG1 3.83Å; I2030-V2070 HydrophobicContact CD1-CG2 3.84Å; L2062-V2070 HydrophobicContact CD2-CG1 3.55Å; L2064-V2070 HydrophobicContact CD2-CG2 4.41Å |
| 2071 | L | 48.4 | Very low | 45.7 | Very low | 51 Ų | 51 | 79.8 Ų | 79.8 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.5 | 171.9 | -72.3 | 170.1 | 0 | 0 | 0 | 109.9 | L2062 T2063 | L2062-L2071 WeakPolarHBondContact CA-O 3.14Å; T2063-L2071 PolarHBondContact N-O 3Å; T2063-L2071 PolarHBondContact O-N 3.24Å |
| 2072 | L | 52.7 | Low | 45.1 | Very low | 22 Ų | 22 | 86.7 Ų | 86.7 | 12% | 0.115 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.5 | 172.8 | -74.5 | 159.8 | 0 | 0 | 0 | 108.7 | C1999 W2006 V2060 L2062 | C1999-L2072 HydrophobicContact CB-CB 3.76Å; C1999-L2072 HydrophobicContact CB-CD1 4.24Å; W2006-L2072 HydrophobicContact CB-CD1 3.75Å; W2006-L2072 HydrophobicContact CD2-CD2 4.35Å; W2006-L2072 HydrophobicContact CE3-CD2 3.54Å; W2006-L2072 HydrophobicContact CZ3-CD2 4.03Å; V2060-L2072 HydrophobicContact CG1-CD2 4Å; L2062-L2072 HydrophobicContact CD2-CD2 3.51Å; L2062-L2072 HydrophobicContact CD2-CG 4.21Å; L2062-L2072 HydrophobicContact CG-CD2 4.19Å |
| 2073 | C | 48.6 | Very low | 44.6 | Very low | 46 Ų | 46 | 88.2 Ų | 88.2 | 31% | 0.311 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 127.3 | 178.8 | -166.5 | 0 | 0 | 0 | 0 | 112 | V2060 V2061 L2100 | V2060-C2073 WeakPolarHBondContact CA-O 3.46Å; V2061-C2073 PolarHBondContact N-O 3.05Å; V2061-C2073 PolarHBondContact O-N 3.48Å; V2061-C2073 VanDerWaalsContact O-N 3.08Å; C2073-L2100 HydrophobicContact CB-CD1 3.76Å |
| 2074 | H | 49.4 | Very low | 44.1 | Very low | 66 Ų | 66 | 93.2 Ų | 93.2 | 31% | 0.306 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 140 | 174.5 | -165.2 | -90.3 | 0 | 0 | 0 | 110.7 | Q2059 D2076 | Q2059-H2074 CarbonylContact O-C 3.6Å; H2074-D2076 IonicContact CE1-OD1 3.83Å; H2074-D2076 PolarHBondContact CE1-OD1 2.81Å; H2074-D2076 IonicContact ND1-OD1 3.04Å; H2074-D2076 PolarHBondContact ND1-OD1 3.47Å |
| 2075 | T | 47.6 | Very low | 43.8 | Very low | 49 Ų | 49 | 90 Ų | 90 | 30% | 0.301 | 51% | 0.507 | S | S | . | . | trans | -126 | 113.3 | 174.7 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | Q2059 V2061 S2077 | Q2059-T2075 PolarHBondContact O-N 2.93Å; Q2059-T2075 PolarHBondContact O-OG1 2.92Å; V2061-T2075 HydrophobicContact CG2-CG2 4Å; T2075-S2077 PolarHBondContact O-N 2.73Å | ||
| 2076 | D | 45.2 | Very low | 43.4 | Very low | 132 Ų | 132 | 93.4 Ų | 93.4 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | trans | -70.4 | 121.9 | -178.4 | -73.3 | -3.3 | 0 | 0 | 0 | 111.8 | H2074 S2078 | H2074-D2076 IonicContact CE1-OD1 3.83Å; H2074-D2076 PolarHBondContact CE1-OD1 2.81Å; H2074-D2076 IonicContact ND1-OD1 3.04Å; H2074-D2076 PolarHBondContact ND1-OD1 3.47Å; D2076-S2078 PolarHBondContact O-N 2.81Å; D2076-S2078 VanDerWaalsContact O-N 3.07Å | ||
| 2077 | S | 39 | Very low | 43.2 | Very low | 95 Ų | 95 | 90 Ų | 90 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -85.1 | 81.7 | -167.3 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | Q2059 T2075 | Q2059-S2077 PolarHBondContact NE2-OG 2.89Å; T2075-S2077 PolarHBondContact O-N 2.73Å |
| 2078 | S | 42.4 | Very low | 43 | Very low | 115 Ų | 115 | 86.9 Ų | 86.9 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | trans | -142.1 | 10.7 | 173.1 | 76.4 | 0 | 0 | 0 | 0 | 116.8 | D2076 | D2076-S2078 PolarHBondContact O-N 2.81Å; D2076-S2078 VanDerWaalsContact O-N 3.07Å | ||
| 2079 | S | 37.6 | Very low | 42.5 | Very low | 100 Ų | 100 | 94.1 Ų | 94.1 | 70% | 0.699 | 51% | 0.51 | S | S | * | . | trans | -146.5 | 138.2 | 173.9 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | R2081 | S2079-R2081 VanDerWaalsContact C-N 3.27Å; S2079-R2081 PolarHBondContact O-N 2.83Å | ||
| 2080 | E | 38 | Very low | 42.2 | Very low | 206 Ų | 206 | 91.9 Ų | 91.9 | 96% | 0.963 | 50% | 0.497 | S | S | * | . | trans | -83.1 | 51.9 | -177.2 | -59.8 | -176.5 | 127.4 | 0 | 0 | 113.1 | ||||
| 2081 | R | 37.7 | Very low | 41.6 | Very low | 204 Ų | 204 | 97.9 Ų | 97.9 | 77% | 0.77 | 54% | 0.536 | S | S | * | . | trans | -132.9 | 142.3 | 176.3 | -71.4 | -171.1 | 174.3 | -177.6 | -1.5 | 112.4 | S2079 | S2079-R2081 VanDerWaalsContact C-N 3.27Å; S2079-R2081 PolarHBondContact O-N 2.83Å | ||
| 2082 | E | 35.9 | Very low | 41.3 | Very low | 171 Ų | 171 | 99.5 Ų | 99.5 | 80% | 0.799 | 55% | 0.552 | S | S | * | * | trans | -71.3 | 132.1 | -177.6 | -61.1 | -175.5 | 138 | 0 | 0 | 111.2 | ||||
| 2083 | P | 39.6 | Very low | 40.5 | Very low | 66 Ų | 66 | 100.5 Ų | 100.5 | 43% | 0.429 | 57% | 0.568 | S | S | . | * | trans | -77.2 | 124.3 | 174.6 | 31.6 | -33.5 | 0 | 0 | 0 | 110.2 | L2100 | P2083-L2100 HydrophobicContact CB-CD2 3.92Å; P2083-L2100 HydrophobicContact CG-CD2 4.42Å | ||
| 2084 | V | 38.8 | Very low | 40 | Very low | 109 Ų | 109 | 103.1 Ų | 103.1 | 66% | 0.661 | 58% | 0.579 | S | S | * | * | trans | -94.1 | 108.6 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2085 | A | 40.9 | Very low | 39.4 | Very low | 29 Ų | 29 | 104 Ų | 104 | 24% | 0.24 | 59% | 0.585 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79 | 132.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L2046 L2100 | L2046-A2085 HydrophobicContact CD2-CB 3.76Å; A2085-L2100 HydrophobicContact CB-CD2 4.06Å |
| 2086 | K | 38.5 | Very low | 39 | Very low | 119 Ų | 119 | 106 Ų | 106 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 119.9 | 178.5 | -155.1 | -177.6 | -179.1 | -167.7 | 0 | 109.1 | T2099 | K2086-T2099 PolarHBondContact N-O 3.01Å |
| 2087 | A | 40.8 | Very low | 38.8 | Very low | 68 Ų | 68 | 102.8 Ų | 102.8 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83 | 131.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 2088 | V | 39.7 | Very low | 38.6 | Very low | 73 Ų | 73 | 99 Ų | 99 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.2 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 2089 | R | 35.6 | Very low | 38.4 | Very low | 175 Ų | 175 | 95.6 Ų | 95.6 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.4 | -178.3 | -165.1 | 175.7 | -158.4 | 174.3 | 10.1 | 110.3 | I2095 | R2089-I2095 HydrophobicContact CG-CG1 4.25Å |
| 2090 | C | 39.9 | Very low | 38.4 | Very low | 31 Ų | 31 | 93 Ų | 93 | 21% | 0.209 | 51% | 0.506 | C | S | . | . | trans | -81.4 | 150.7 | -177.4 | -139.5 | 0 | 0 | 0 | 0 | 111.1 | S2092 G2093 D2094 | C2090-S2092 PolarHBondContact O-N 3.15Å; C2090-S2092 VanDerWaalsContact O-N 3.09Å; C2090-G2093 PolarHBondContact O-N 2.91Å; C2090-G2093 VanDerWaalsContact O-N 3.12Å; C2090-D2094 WeakPolarHBondContact CB-O 3.32Å; C2090-D2094 PolarHBondContact N-O 2.96Å | ||
| 2091 | P | 37 | Very low | 38.4 | Very low | 128 Ų | 128 | 87 Ų | 87 | 83% | 0.831 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -14.6 | 179.5 | -25.5 | 35.9 | 0 | 0 | 0 | 115.4 | G2093 | P2091-G2093 VanDerWaalsContact C-N 3.27Å; P2091-G2093 PolarHBondContact O-N 3.14Å |
| 2092 | S | 41.9 | Very low | 38.5 | Very low | 85 Ų | 85 | 83.5 Ų | 83.5 | 59% | 0.594 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -17.5 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | C2090 D2094 | C2090-S2092 PolarHBondContact O-N 3.15Å; C2090-S2092 VanDerWaalsContact O-N 3.09Å; S2092-D2094 WeakPolarHBondContact CB-OD2 3.47Å; S2092-D2094 PolarHBondContact OG-OD2 2.95Å |
| 2093 | G | 36 | Very low | 38.5 | Very low | 44 Ų | 44 | 84.2 Ų | 84.2 | 45% | 0.454 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 106 | -27 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C2090 P2091 | C2090-G2093 PolarHBondContact O-N 2.91Å; C2090-G2093 VanDerWaalsContact O-N 3.12Å; P2091-G2093 VanDerWaalsContact C-N 3.27Å; P2091-G2093 PolarHBondContact O-N 3.14Å |
| 2094 | D | 37.6 | Very low | 38.3 | Very low | 101 Ų | 101 | 86.4 Ų | 86.4 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | trans | -70.1 | 146.9 | 179 | -45.1 | -71 | 0 | 0 | 0 | 112.2 | C2090 S2092 | C2090-D2094 WeakPolarHBondContact CB-O 3.32Å; C2090-D2094 PolarHBondContact N-O 2.96Å; S2092-D2094 WeakPolarHBondContact CB-OD2 3.47Å; S2092-D2094 PolarHBondContact OG-OD2 2.95Å | ||
| 2095 | I | 37.7 | Very low | 37.9 | Very low | 84 Ų | 84 | 89.1 Ų | 89.1 | 43% | 0.431 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.1 | 175.3 | -60.3 | 171.9 | 0 | 0 | 0 | 107.5 | R2089 | R2089-I2095 HydrophobicContact CG-CG1 4.25Å |
| 2096 | L | 39.1 | Very low | 37.4 | Very low | 92 Ų | 92 | 98.6 Ų | 98.6 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118 | -180 | -96 | 162.2 | 0 | 0 | 0 | 110.1 | ||
| 2097 | C | 40.2 | Very low | 36.9 | Very low | 63 Ų | 63 | 102.2 Ų | 102.2 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 58.7 | 125.6 | 176.9 | -65.2 | 0 | 0 | 0 | 0 | 117.8 | ||
| 2098 | S | 36.4 | Very low | 36.4 | Very low | 15 Ų | 15 | 103 Ų | 103 | 11% | 0.105 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 108.3 | 153.4 | 54.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 2099 | T | 38.5 | Very low | 36.1 | Very low | 45 Ų | 45 | 111.3 Ų | 111.3 | 28% | 0.276 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.5 | 132 | 175 | 19.8 | 0 | 0 | 0 | 0 | 111.4 | K2086 | K2086-T2099 PolarHBondContact N-O 3.01Å |
| 2100 | L | 37.7 | Very low | 36.4 | Very low | 45 Ų | 45 | 106.3 Ų | 106.3 | 24% | 0.236 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.9 | 169.6 | -74.7 | 158.2 | 0 | 0 | 0 | 108.3 | C2073 P2083 A2085 | C2073-L2100 HydrophobicContact CB-CD1 3.76Å; P2083-L2100 HydrophobicContact CB-CD2 3.92Å; P2083-L2100 HydrophobicContact CG-CD2 4.42Å; A2085-L2100 HydrophobicContact CB-CD2 4.06Å |
| 2101 | F | 38 | Very low | 36.3 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 36% | 0.355 | 61% | 0.606 | S | S | . | * | trans | -107.3 | 117.1 | -178.2 | -72.1 | -85.9 | 0 | 0 | 0 | 112 | F2103 V2129 | F2101-F2103 HydrophobicContact CB-CD2 4.45Å; F2101-F2103 PolarHBondContact O-N 3.03Å; F2101-V2129 HydrophobicContact CE1-CG1 4.32Å; F2101-V2129 HydrophobicContact CZ-CG1 4.38Å | ||
| 2102 | P | 39.1 | Very low | 36.6 | Very low | 129 Ų | 129 | 109 Ų | 109 | 84% | 0.838 | 59% | 0.59 | S | S | * | * | trans | -79 | 103.3 | 168.6 | 30.9 | -31.5 | 0 | 0 | 0 | 110.4 | S2104 | P2102-S2104 PolarHBondContact O-N 3.33Š| ||
| 2103 | F | 34.6 | Very low | 36.5 | Very low | 187 Ų | 187 | 111.7 Ų | 111.7 | 82% | 0.82 | 59% | 0.588 | S | S | * | * | trans | -76.7 | 108.1 | 179.2 | -105.2 | -89.3 | 0 | 0 | 0 | 112.3 | F2101 | F2101-F2103 HydrophobicContact CB-CD2 4.45Å; F2101-F2103 PolarHBondContact O-N 3.03Å | ||
| 2104 | S | 36.5 | Very low | 36.7 | Very low | 112 Ų | 112 | 114.8 Ų | 114.8 | 78% | 0.783 | 59% | 0.586 | S | S | * | * | trans | -113.6 | 94.8 | 172.4 | -178 | 0 | 0 | 0 | 0 | 111.1 | P2102 R2106 | P2102-S2104 PolarHBondContact O-N 3.33Å; S2104-R2106 PolarHBondContact O-N 3.42Å | ||
| 2105 | E | 30.2 | Very low | 36.8 | Very low | 166 Ų | 166 | 113.9 Ų | 113.9 | 78% | 0.776 | 58% | 0.58 | S | S | * | * | trans | -75.4 | 90.5 | 173.7 | -77.6 | -169.6 | 111.7 | 0 | 0 | 111.6 | ||||
| 2106 | R | 31.2 | Very low | 36.9 | Very low | 228 Ų | 228 | 117 Ų | 117 | 86% | 0.86 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -156.4 | 94.2 | 156 | -111.7 | 161.8 | -156.4 | -153.7 | 4 | 114.1 | S2104 | S2104-R2106 PolarHBondContact O-N 3.42Š|
| 2107 | Q | 28.1 | Very low | 37.2 | Very low | 194 Ų | 194 | 114.9 Ų | 114.9 | 91% | 0.907 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 53.1 | 76.6 | 150.6 | -63.6 | -174.5 | -33.5 | 0 | 0 | 118.9 | ||
| 2108 | A | 29.3 | Very low | 37.1 | Very low | 84 Ų | 84 | 116 Ų | 116 | 69% | 0.694 | 59% | 0.585 | S | S | * | * | trans | -150.5 | 132.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2109 | Y | 34.1 | Very low | 37.4 | Very low | 249 Ų | 249 | 117 Ų | 117 | 98% | 0.976 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -82.7 | 131.1 | 167.8 | -90.1 | -97 | 0 | 0 | 0 | 109.3 | ||
| 2110 | G | 41.4 | Very low | 37.3 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | trans | 99.4 | 17.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2111 | Q | 38 | Very low | 37.4 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | trans | -76.7 | 128.4 | 167.3 | -79.4 | -174.2 | -27.8 | 0 | 0 | 111.5 | Y2113 | Q2111-Y2113 HydrophobicContact CB-CE2 4.31Å; Q2111-Y2113 PolarHBondContact OE1-OH 2.96Å | ||
| 2112 | V | 42.6 | Very low | 37.4 | Very low | 82 Ų | 82 | 121 Ų | 121 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | trans | -106.2 | 130.1 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | D2128 A2130 | V2112-D2128 HydrophobicContact CG1-CB 3.73Å; V2112-A2130 HydrophobicContact CG2-CB 4.18Å | ||
| 2113 | Y | 41.1 | Very low | 37.5 | Very low | 143 Ų | 143 | 117.6 Ų | 117.6 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 118 | 178.8 | -64.2 | -92.3 | 0 | 0 | 0 | 109.6 | Q2111 V2129 | Q2111-Y2113 HydrophobicContact CB-CE2 4.31Å; Q2111-Y2113 PolarHBondContact OE1-OH 2.96Å; Y2113-V2129 PolarHBondContact N-O 3.06Å; Y2113-V2129 PolarHBondContact O-N 2.7Å |
| 2114 | R | 38.4 | Very low | 37.9 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 41% | 0.411 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 104.7 | 179 | -175.4 | 165.3 | -70.1 | -162.2 | -12.5 | 110.7 | F2127 D2128 | R2114-F2127 WeakPolarHBondContact CA-O 3.36Å; R2114-D2128 WeakPolarHBondContact CB-OD1 3.3Å; R2114-D2128 WeakPolarHBondContact CG-OD1 3.27Å; R2114-D2128 IonicContact CZ-OD1 2.69Å; R2114-D2128 IonicContact CZ-OD2 3.56Å; R2114-D2128 IonicContact NE-OD1 3.43Å; R2114-D2128 PolarHBondContact NE-OD1 3.04Å; R2114-D2128 IonicContact NE-OD2 2Å; R2114-D2128 IonicContact NH2-OD1 3.48Å; R2114-D2128 PolarHBondContact NH2-OD1 3.11Å; R2114-D2128 IonicContact NH2-OD2 2.78Å; R2114-D2128 PolarHBondContact NH2-OD2 2.87Å |
| 2115 | L | 39.6 | Very low | 38.3 | Very low | 81 Ų | 81 | 107.9 Ų | 107.9 | 42% | 0.424 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.6 | 175.5 | -67.3 | 170.9 | 0 | 0 | 0 | 110.1 | T2126 F2127 V2129 | L2115-T2126 WeakPolarHBondContact O-CA 3.45Å; L2115-F2127 PolarHBondContact N-O 3.48Å; L2115-F2127 PolarHBondContact O-N 3.09Å; L2115-V2129 HydrophobicContact CD1-CG2 3.9Å; L2115-V2129 HydrophobicContact CG-CG2 4.48Å |
| 2116 | W | 41.2 | Very low | 39 | Very low | 151 Ų | 151 | 100.3 Ų | 100.3 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129 | 174.8 | -66.4 | 62.4 | 0 | 0 | 0 | 108.3 | I2124 T2126 | W2116-I2124 HydrophobicContact CE3-CG2 3.56Å; W2116-I2124 HydrophobicContact CZ3-CG2 4.01Å; W2116-T2126 HydrophobicContact CD2-CG2 3.87Å; W2116-T2126 HydrophobicContact CE3-CG2 4.18Å; W2116-T2126 HydrophobicContact CG-CG2 4.18Å; W2116-T2126 HydrophobicContact CZ2-CG2 4.42Å |
| 2117 | T | 44.1 | Very low | 39.8 | Very low | 47 Ų | 47 | 91.3 Ų | 91.3 | 29% | 0.288 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 154.9 | 176.2 | 75.6 | 0 | 0 | 0 | 0 | 111.6 | I2124 V2125 F2127 | T2117-I2124 WeakPolarHBondContact O-CA 3.46Å; T2117-V2125 PolarHBondContact N-O 2.89Å; T2117-V2125 PolarHBondContact O-N 3.07Å; T2117-F2127 HydrophobicContact CG2-CD2 4.48Å; T2117-F2127 HydrophobicContact CG2-CE2 4.4Å |
| 2118 | C | 38.9 | Very low | 40.6 | Very low | 86 Ų | 86 | 83 Ų | 83 | 58% | 0.581 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.9 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 2119 | S | 43.7 | Very low | 41.5 | Very low | 35 Ų | 35 | 79.6 Ų | 79.6 | 25% | 0.245 | 43% | 0.43 | C | S | . | . | trans | -79.2 | 162.7 | 167.6 | 78.1 | 0 | 0 | 0 | 0 | 111.2 | G2121 G2122 N2123 | S2119-G2121 PolarHBondContact O-N 3.29Å; S2119-G2121 PolarHBondContact OG-N 3.45Å; S2119-G2122 PolarHBondContact O-N 3.36Å; S2119-N2123 PolarHBondContact N-O 2.95Å; S2119-N2123 PolarHBondContact OG-N 2.88Å | ||
| 2120 | T | 35.3 | Very low | 42.1 | Very low | 167 Ų | 167 | 69.5 Ų | 69.5 | 100% | 1.025 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -12.7 | 173.2 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 2121 | G | 39.4 | Very low | 42.6 | Very low | 63 Ų | 63 | 74.5 Ų | 74.5 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115 | S2119 | S2119-G2121 PolarHBondContact O-N 3.29Å; S2119-G2121 PolarHBondContact OG-N 3.45Å |
| 2122 | G | 39.1 | Very low | 43 | Very low | 26 Ų | 26 | 70.1 Ų | 70.1 | 27% | 0.268 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 78.4 | 16.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2119 H2142 | S2119-G2122 PolarHBondContact O-N 3.36Å; G2122-H2142 PolarHBondContact O-CD2 2.74Å |
| 2123 | N | 40.9 | Very low | 43 | Very low | 58 Ų | 58 | 72.1 Ų | 72.1 | 31% | 0.31 | 41% | 0.408 | S | S | . | . | trans | -88.8 | 138.5 | 172 | -66.3 | -19.6 | 0 | 0 | 0 | 109.9 | S2119 | S2119-N2123 PolarHBondContact N-O 2.95Å; S2119-N2123 PolarHBondContact OG-N 2.88Å | ||
| 2124 | I | 42.6 | Very low | 43.1 | Very low | 74 Ų | 74 | 67.6 Ų | 67.6 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.3 | 173.3 | -63.4 | 177.1 | 0 | 0 | 0 | 108.7 | W2116 T2117 S2139 F2140 | W2116-I2124 HydrophobicContact CE3-CG2 3.56Å; W2116-I2124 HydrophobicContact CZ3-CG2 4.01Å; T2117-I2124 WeakPolarHBondContact O-CA 3.46Å; I2124-S2139 CarbonylContact O-C 3.39Å; I2124-S2139 WeakPolarHBondContact O-CA 3.3Å; I2124-F2140 PolarHBondContact N-O 3.41Å; I2124-F2140 PolarHBondContact O-N 2.85Å |
| 2125 | V | 45.2 | Very low | 43.6 | Very low | 20 Ų | 20 | 65.6 Ų | 65.6 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.2 | 178.5 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | T2117 F2127 Y2136 | T2117-V2125 PolarHBondContact N-O 2.89Å; T2117-V2125 PolarHBondContact O-N 3.07Å; V2125-F2127 HydrophobicContact CB-CE2 4.1Å; V2125-F2127 HydrophobicContact CG1-CD2 4.33Å; V2125-F2127 HydrophobicContact CG1-CE2 3.58Å; V2125-F2127 HydrophobicContact CG1-CZ 3.7Å; V2125-Y2136 HydrophobicContact CG1-CD2 4.03Å; V2125-Y2136 HydrophobicContact CG1-CE2 3.75Å |
| 2126 | T | 45.8 | Very low | 44.2 | Very low | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.043 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.4 | -180 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | L2115 W2116 Q2137 E2138 | L2115-T2126 WeakPolarHBondContact O-CA 3.45Å; W2116-T2126 HydrophobicContact CD2-CG2 3.87Å; W2116-T2126 HydrophobicContact CE3-CG2 4.18Å; W2116-T2126 HydrophobicContact CG-CG2 4.18Å; W2116-T2126 HydrophobicContact CZ2-CG2 4.42Å; T2126-Q2137 PolarHBondContact O-N 3.08Å; T2126-E2138 PolarHBondContact N-O 3.12Å |
| 2127 | F | 47.6 | Very low | 44.7 | Very low | 39 Ų | 39 | 64.9 Ų | 64.9 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.3 | 176.4 | -59.2 | -93.1 | 0 | 0 | 0 | 109.8 | R2114 L2115 T2117 V2125 Y2136 | R2114-F2127 WeakPolarHBondContact CA-O 3.36Å; L2115-F2127 PolarHBondContact N-O 3.48Å; L2115-F2127 PolarHBondContact O-N 3.09Å; T2117-F2127 HydrophobicContact CG2-CD2 4.48Å; T2117-F2127 HydrophobicContact CG2-CE2 4.4Å; V2125-F2127 HydrophobicContact CB-CE2 4.1Å; V2125-F2127 HydrophobicContact CG1-CD2 4.33Å; V2125-F2127 HydrophobicContact CG1-CE2 3.58Å; V2125-F2127 HydrophobicContact CG1-CZ 3.7Å; F2127-Y2136 HydrophobicContact CE1-CD2 4.12Å |
| 2128 | D | 45.1 | Very low | 44.9 | Very low | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.102 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.3 | 169.2 | -81.8 | -15.3 | 0 | 0 | 0 | 109 | V2112 R2114 S2135 Q2137 | V2112-D2128 HydrophobicContact CG1-CB 3.73Å; R2114-D2128 WeakPolarHBondContact CB-OD1 3.3Å; R2114-D2128 WeakPolarHBondContact CG-OD1 3.27Å; R2114-D2128 IonicContact CZ-OD1 2.69Å; R2114-D2128 IonicContact CZ-OD2 3.56Å; R2114-D2128 IonicContact NE-OD1 3.43Å; R2114-D2128 PolarHBondContact NE-OD1 3.04Å; R2114-D2128 IonicContact NE-OD2 2Å; R2114-D2128 IonicContact NH2-OD1 3.48Å; R2114-D2128 PolarHBondContact NH2-OD1 3.11Å; R2114-D2128 IonicContact NH2-OD2 2.78Å; R2114-D2128 PolarHBondContact NH2-OD2 2.87Å; D2128-S2135 PolarHBondContact N-O 2.96Å; D2128-S2135 PolarHBondContact O-N 2.97Å; D2128-S2135 PolarHBondContact O-OG 3.43Å; D2128-S2135 VanDerWaalsContact O-OG 3.11Å; D2128-Q2137 PolarHBondContact OD2-NE2 3.13Å; D2128-Q2137 PolarHBondContact OD2-OE1 3.29Å |
| 2129 | V | 47.5 | Very low | 45.2 | Very low | 13 Ų | 13 | 66.6 Ų | 66.6 | 8% | 0.079 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.3 | 179.3 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | F2101 Y2113 L2115 A2134 | F2101-V2129 HydrophobicContact CE1-CG1 4.32Å; F2101-V2129 HydrophobicContact CZ-CG1 4.38Å; Y2113-V2129 PolarHBondContact N-O 3.06Å; Y2113-V2129 PolarHBondContact O-N 2.7Å; L2115-V2129 HydrophobicContact CD1-CG2 3.9Å; L2115-V2129 HydrophobicContact CG-CG2 4.48Å; V2129-A2134 HydrophobicContact CG2-CB 4Å |
| 2130 | A | 47.6 | Very low | 45.3 | Very low | 38 Ų | 38 | 69.3 Ų | 69.3 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 134.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V2112 G2132 D2133 | V2112-A2130 HydrophobicContact CG2-CB 4.18Å; A2130-G2132 PolarHBondContact O-N 3.35Å; A2130-D2133 PolarHBondContact N-O 3.27Å; A2130-D2133 PolarHBondContact O-N 3.24Å; A2130-D2133 VanDerWaalsContact O-N 3.13Å; A2130-D2133 VanDerWaalsContact O-O 3.13Å |
| 2131 | N | 51.4 | Low | 45.5 | Very low | 173 Ų | 173 | 65.3 Ų | 65.3 | 93% | 0.925 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 17.9 | 177.9 | -59.1 | -28.3 | 0 | 0 | 0 | 116.3 | ||
| 2132 | G | 46.3 | Very low | 45.5 | Very low | 42 Ų | 42 | 68.4 Ų | 68.4 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 1.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A2130 | A2130-G2132 PolarHBondContact O-N 3.35Š|
| 2133 | D | 41.4 | Very low | 45 | Very low | 124 Ų | 124 | 71.4 Ų | 71.4 | 66% | 0.663 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.7 | 165.3 | -75.2 | -38.4 | 0 | 0 | 0 | 110.2 | A2130 | A2130-D2133 PolarHBondContact N-O 3.27Å; A2130-D2133 PolarHBondContact O-N 3.24Å; A2130-D2133 VanDerWaalsContact O-N 3.13Å; A2130-D2133 VanDerWaalsContact O-O 3.13Å |
| 2134 | A | 45.1 | Very low | 44.3 | Very low | 48 Ų | 48 | 77.1 Ų | 77.1 | 40% | 0.397 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | V2129 | V2129-A2134 HydrophobicContact CG2-CB 4Å |
| 2135 | S | 48.1 | Very low | 43.7 | Very low | 67 Ų | 67 | 80.7 Ų | 80.7 | 47% | 0.469 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | D2128 Q2137 | D2128-S2135 PolarHBondContact N-O 2.96Å; D2128-S2135 PolarHBondContact O-N 2.97Å; D2128-S2135 PolarHBondContact O-OG 3.43Å; D2128-S2135 VanDerWaalsContact O-OG 3.11Å; S2135-Q2137 PolarHBondContact O-N 2.95Å |
| 2136 | Y | 51.7 | Low | 42.8 | Very low | 119 Ų | 119 | 84 Ų | 84 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 127.1 | 165 | 172 | -84.7 | 0 | 0 | 0 | 108.9 | V2125 F2127 S2139 | V2125-Y2136 HydrophobicContact CG1-CD2 4.03Å; V2125-Y2136 HydrophobicContact CG1-CE2 3.75Å; F2127-Y2136 HydrophobicContact CE1-CD2 4.12Å; Y2136-S2139 WeakPolarHBondContact OH-CB 3.46Å; Y2136-S2139 PolarHBondContact OH-OG 3.49Å |
| 2137 | Q | 52.4 | Low | 41.9 | Very low | 97 Ų | 97 | 89.2 Ų | 89.2 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -70.9 | 170.2 | -101 | 179.3 | 6.9 | 0 | 0 | 110.9 | T2126 D2128 S2135 | T2126-Q2137 PolarHBondContact O-N 3.08Å; D2128-Q2137 PolarHBondContact OD2-NE2 3.13Å; D2128-Q2137 PolarHBondContact OD2-OE1 3.29Å; S2135-Q2137 PolarHBondContact O-N 2.95Å |
| 2138 | E | 48.3 | Very low | 40.9 | Very low | 116 Ų | 116 | 92.8 Ų | 92.8 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 162.8 | -168.9 | -102.5 | 162.1 | -169.1 | 0 | 0 | 112.1 | T2126 F2140 | T2126-E2138 PolarHBondContact N-O 3.12Å; E2138-F2140 HydrophobicContact CB-CE2 4.08Å; E2138-F2140 HydrophobicContact CB-CZ 3.91Å |
| 2139 | S | 45.2 | Very low | 39.9 | Very low | 53 Ų | 53 | 100.4 Ų | 100.4 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130 | 124.3 | 172.4 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | I2124 Y2136 | I2124-S2139 CarbonylContact O-C 3.39Å; I2124-S2139 WeakPolarHBondContact O-CA 3.3Å; Y2136-S2139 WeakPolarHBondContact OH-CB 3.46Å; Y2136-S2139 PolarHBondContact OH-OG 3.49Å |
| 2140 | F | 44.8 | Very low | 38.8 | Very low | 93 Ų | 93 | 105.1 Ų | 105.1 | 41% | 0.408 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.9 | -174.4 | -61.9 | -79.3 | 0 | 0 | 0 | 110.6 | I2124 E2138 | I2124-F2140 PolarHBondContact N-O 3.41Å; I2124-F2140 PolarHBondContact O-N 2.85Å; E2138-F2140 HydrophobicContact CB-CE2 4.08Å; E2138-F2140 HydrophobicContact CB-CZ 3.91Å |
| 2141 | P | 39.5 | Very low | 37.7 | Very low | 83 Ų | 83 | 106.2 Ų | 106.2 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | trans | -64.7 | 141.2 | 169.1 | -16.9 | 31.1 | 0 | 0 | 0 | 110.1 | A2143 | P2141-A2143 PolarHBondContact O-N 3.3Š| ||
| 2142 | H | 39.2 | Very low | 36.4 | Very low | 127 Ų | 127 | 104.7 Ų | 104.7 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -68.3 | 18.9 | -176.8 | -153.1 | -43.1 | 0 | 0 | 0 | 114.7 | G2122 | G2122-H2142 PolarHBondContact O-CD2 2.74Š|
| 2143 | A | 28.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 106.9 Ų | 106.9 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | trans | -146 | 56.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P2141 | P2141-A2143 PolarHBondContact O-N 3.3Š| ||
| 2144 | Q | 27.9 | Very low | 34.4 | Very low | 178 Ų | 178 | 108.3 Ų | 108.3 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | trans | -143.6 | 119.2 | 161.1 | -126.6 | 170.7 | -5.5 | 0 | 0 | 111.3 | ||||
| 2145 | E | 29.9 | Very low | 33.4 | Very low | 150 Ų | 150 | 111.9 Ų | 111.9 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | trans | -75.3 | 162.8 | 168.3 | -63.3 | 178.1 | 140.3 | 0 | 0 | 109.9 | ||||
| 2146 | S | 26 | Very low | 32.2 | Very low | 90 Ų | 90 | 115.2 Ų | 115.2 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | trans | 75.5 | 85.4 | -177.3 | 77.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2147 | V | 27.2 | Very low | 30.8 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 70% | 0.703 | 67% | 0.669 | S | S | * | * | trans | -133.7 | 101 | 146 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | E2149 V2150 | V2147-E2149 VanDerWaalsContact C-N 3.33Å; V2147-V2150 HydrophobicContact CG1-CG2 3.73Å | ||
| 2148 | S | 25.3 | Very low | 29.6 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | trans | -89.7 | 6.4 | -178.4 | 54.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 2149 | E | 23.9 | Very low | 28.5 | Very low | 179 Ų | 179 | 117.4 Ų | 117.4 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | -136.7 | 64.7 | -173.8 | -65.1 | -170.6 | 149.1 | 0 | 0 | 111.7 | V2147 | V2147-E2149 VanDerWaalsContact C-N 3.33Š| ||
| 2150 | V | 25.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 67% | 0.673 | 70% | 0.695 | S | S | * | * | trans | -119.7 | 108.9 | 159 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | V2147 | V2147-V2150 HydrophobicContact CG1-CG2 3.73Š| ||
| 2151 | G | 23.8 | Very low | 26.8 | Very low | 62 Ų | 62 | 116.8 Ų | 116.8 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | trans | -66.8 | 153.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2153 | G2151-A2153 PolarHBondContact O-N 3.01Š| ||
| 2152 | T | 23.3 | Very low | 26.6 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | trans | -59.5 | 90.1 | 175.7 | 39.9 | 0 | 0 | 0 | 0 | 111.9 | L2154 | T2152-L2154 PolarHBondContact O-N 3.5Å; T2152-L2154 VanDerWaalsContact O-N 3.13Å | ||
| 2153 | A | 23.4 | Very low | 26.4 | Very low | 88 Ų | 88 | 117 Ų | 117 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -83 | 79.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G2151 L2155 | G2151-A2153 PolarHBondContact O-N 3.01Å; A2153-L2155 PolarHBondContact O-N 3.39Å | ||
| 2154 | L | 22.9 | Very low | 26.7 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | trans | -56.5 | 103 | 171.3 | -82.8 | 153.9 | 0 | 0 | 0 | 110.8 | T2152 T2156 | T2152-L2154 PolarHBondContact O-N 3.5Å; T2152-L2154 VanDerWaalsContact O-N 3.13Å; L2154-T2156 PolarHBondContact O-N 3.07Å | ||
| 2155 | L | 24 | Very low | 26.9 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | trans | -84.9 | 97 | 171 | -93.3 | 167.7 | 0 | 0 | 0 | 109.7 | A2153 S2157 | A2153-L2155 PolarHBondContact O-N 3.39Å; L2155-S2157 PolarHBondContact O-N 3.31Å; L2155-S2157 VanDerWaalsContact O-N 3.09Å | ||
| 2156 | T | 22.9 | Very low | 26.9 | Very low | 137 Ų | 137 | 122.5 Ų | 122.5 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | trans | -75.4 | 93 | -178.4 | 54 | 0 | 0 | 0 | 0 | 112 | L2154 | L2154-T2156 PolarHBondContact O-N 3.07Š| ||
| 2157 | S | 23.5 | Very low | 27.1 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -159 | 110.4 | 165.8 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | L2155 | L2155-S2157 PolarHBondContact O-N 3.31Å; L2155-S2157 VanDerWaalsContact O-N 3.09Å |
| 2158 | S | 25.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 63.4 | 163.4 | -173.6 | 79.1 | 0 | 0 | 0 | 0 | 115.1 | V2160 | S2158-V2160 PolarHBondContact O-N 3.07Š|
| 2159 | M | 25 | Very low | 27 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 83% | 0.833 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -95 | 24.9 | -157.6 | -62.5 | -177.5 | 76.7 | 0 | 0 | 115.6 | ||
| 2160 | V | 30.2 | Very low | 27 | Very low | 55 Ų | 55 | 123.3 Ų | 123.3 | 33% | 0.333 | 69% | 0.687 | S | S | . | * | trans | -131 | 87.2 | -176.9 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | L1946 T1960 S2158 | L1946-V2160 HydrophobicContact CB-CG2 4.09Å; L1946-V2160 HydrophobicContact CD1-CG2 3.91Å; T1960-V2160 HydrophobicContact CG2-CG1 4.31Å; S2158-V2160 PolarHBondContact O-N 3.07Å | ||
| 2161 | A | 26 | Very low | 26.8 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | trans | -155.2 | 79.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2162 | D | 35.5 | Very low | 26.8 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | trans | -156.9 | 23 | 162.8 | -106.1 | -31.7 | 0 | 0 | 0 | 112.8 | ||||
| 2163 | L | 34 | Very low | 26.7 | Very low | 69 Ų | 69 | 126.2 Ų | 126.2 | 36% | 0.361 | 70% | 0.696 | S | S | . | * | trans | -106.2 | 90.7 | -165 | -148.4 | 165.1 | 0 | 0 | 0 | 112.3 | L1962 W1981 V2165 | L1962-L2163 HydrophobicContact CD2-CD2 3.94Å; W1981-L2163 HydrophobicContact CH2-CD1 3.98Å; W1981-L2163 HydrophobicContact CH2-CD2 4.01Å; W1981-L2163 HydrophobicContact CH2-CG 4.25Å; W1981-L2163 HydrophobicContact CZ2-CD2 4.09Å; W1981-L2163 HydrophobicContact CZ2-CG 4.39Å; L2163-V2165 HydrophobicContact CD2-CG2 4.03Å | ||
| 2164 | Y | 35 | Very low | 26.8 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 74% | 0.737 | 71% | 0.706 | S | S | * | * | trans | -93.1 | 100.5 | -174.1 | -76.2 | -87.4 | 0 | 0 | 0 | 114.2 | W2166 | Y2164-W2166 PolarHBondContact O-N 2.82Š| ||
| 2165 | V | 32.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 66% | 0.655 | 71% | 0.706 | S | S | * | * | trans | -84.3 | 98.6 | 174.6 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | L1962 L2163 | L1962-V2165 HydrophobicContact CD2-CG2 4.35Å; L2163-V2165 HydrophobicContact CD2-CG2 4.03Å | ||
| 2166 | W | 30.2 | Very low | 26.7 | Very low | 235 Ų | 235 | 135.1 Ų | 135.1 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | trans | -86.4 | 107.7 | 177.8 | -84.1 | 64 | 0 | 0 | 0 | 112.8 | Y2164 R2168 | Y2164-W2166 PolarHBondContact O-N 2.82Å; W2166-R2168 PolarHBondContact O-N 3.34Å | ||
| 2167 | K | 29.8 | Very low | 26.8 | Very low | 102 Ų | 102 | 137 Ų | 137 | 44% | 0.443 | 70% | 0.703 | S | S | . | * | trans | -81.8 | 110.1 | 177.6 | -162.9 | -178.4 | -168.1 | -174.5 | 0 | 111.9 | C2169 | K2167-C2169 VanDerWaalsContact CE-SG 3.53Š| ||
| 2168 | R | 26.1 | Very low | 26.8 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | trans | -102.6 | 65.1 | 178.7 | -159.4 | -179.5 | -165.2 | 161.4 | 10.5 | 113.2 | W2166 V2170 | W2166-R2168 PolarHBondContact O-N 3.34Å; R2168-V2170 PolarHBondContact O-N 3.23Å | ||
| 2169 | C | 24.3 | Very low | 26.7 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | trans | -68.4 | 102.2 | 172.6 | -72 | 0 | 0 | 0 | 0 | 111.5 | K2167 | K2167-C2169 VanDerWaalsContact CE-SG 3.53Š| ||
| 2170 | V | 22.6 | Very low | 26.7 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 65% | 0.648 | 70% | 0.701 | S | S | * | * | trans | -90.2 | 119.4 | 164.2 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | R2168 M2172 | R2168-V2170 PolarHBondContact O-N 3.23Å; V2170-M2172 PolarHBondContact O-N 3.2Å | ||
| 2171 | P | 23.3 | Very low | 26.5 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | -69.3 | 107.5 | 178 | 27.2 | -32.9 | 0 | 0 | 0 | 110.5 | G2173 | P2171-G2173 PolarHBondContact O-N 3.39Š| ||
| 2172 | M | 22.1 | Very low | 26.4 | Very low | 194 Ų | 194 | 141 Ų | 141 | 96% | 0.956 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 96.5 | 175.6 | -90.5 | -82.8 | -79.5 | 0 | 0 | 110.8 | V2170 | V2170-M2172 PolarHBondContact O-N 3.2Š| ||
| 2173 | G | 22.2 | Very low | 25.8 | Very low | 60 Ų | 60 | 142 Ų | 142 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | trans | -162.2 | 80.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P2171 | P2171-G2173 PolarHBondContact O-N 3.39Š| ||
| 2174 | Y | 24.6 | Very low | 25.4 | Very low | 240 Ų | 240 | 148.6 Ų | 148.6 | 94% | 0.941 | 76% | 0.755 | S | S | * | * | trans | -174.7 | 159 | 135.5 | -105.6 | -68.2 | 0 | 0 | 0 | 110.7 | ||||
| 2175 | E | 22.5 | Very low | 24.9 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -97.3 | 168 | -165.2 | -58.5 | -179.6 | 103.4 | 0 | 0 | 116.1 | ||||
| 2176 | E | 23.4 | Very low | 24.7 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | trans | 80.9 | 115.3 | 151.8 | -61.9 | -137.1 | 126.8 | 0 | 0 | 123 | ||||
| 2177 | K | 24.4 | Very low | 24.4 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 66.4 | 113.4 | 133.9 | -63.3 | 168.6 | -178.3 | 150.5 | 0 | 120.7 | ||||
| 2178 | G | 23.6 | Very low | 24.1 | Very low | 77 Ų | 77 | 149.3 Ų | 149.3 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 168.1 | 73 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2179 | D | 24.1 | Very low | 24.2 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 33.9 | 120.5 | 151.7 | -151.9 | 35.2 | 0 | 0 | 0 | 122.4 | ||||
| 2180 | K | 24.4 | Very low | 24 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | 53.6 | 107 | 157.4 | -67 | 169.6 | -165.8 | 77.9 | 0 | 119.5 | ||||
| 2181 | G | 25.1 | Very low | 23.9 | Very low | 71 Ų | 71 | 149.4 Ų | 149.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 177.6 | 66 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2182 | T | 23.8 | Very low | 24.1 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 145.4 | 168.9 | -42.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2183 | L | 24.3 | Very low | 24.2 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | 70.5 | 70.7 | -176.7 | -61.6 | 165.6 | 0 | 0 | 0 | 116 | ||||
| 2184 | R | 23.9 | Very low | 24.3 | Very low | 206 Ų | 206 | 156.6 Ų | 156.6 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -143.6 | 79.2 | 157.9 | -90.2 | -164.5 | 164.6 | 174.4 | -3.8 | 113.4 | ||||
| 2185 | L | 24.6 | Very low | 24.2 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -126.2 | 159.5 | 151.7 | -73.5 | 169.4 | 0 | 0 | 0 | 107.3 | ||
| 2186 | F | 29.5 | Very low | 24.4 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 60 | 53.5 | -173.8 | -55.4 | -78.1 | 0 | 0 | 0 | 116.4 | ||
| 2187 | Q | 23.7 | Very low | 24.4 | Very low | 143 Ų | 143 | 151.4 Ų | 151.4 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | -133.6 | -2.4 | 167.8 | -138.2 | 175 | 32.5 | 0 | 0 | 116.7 | ||||
| 2188 | N | 23.7 | Very low | 24.4 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -129.9 | 82.2 | 175.8 | -80.6 | -5.5 | 0 | 0 | 0 | 111.3 | ||||
| 2189 | H | 27.4 | Very low | 24.5 | Very low | 149 Ų | 149 | 154.9 Ų | 154.9 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -130.4 | 103.3 | 143.7 | -87.7 | -88.1 | 0 | 0 | 0 | 106.1 | ||||
| 2190 | S | 20.9 | Very low | 24.5 | Very low | 112 Ų | 112 | 156.9 Ų | 156.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -130.1 | 47.7 | 178.8 | 65.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2191 | L | 21.2 | Very low | 24.5 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -176 | 73.1 | 175.7 | -105.7 | 166.2 | 0 | 0 | 0 | 107.1 | ||||
| 2192 | F | 25.8 | Very low | 24.4 | Very low | 212 Ų | 212 | 162.8 Ų | 162.8 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -172.1 | 0 | 151.5 | -97.1 | -63.1 | 0 | 0 | 0 | 107.4 |
Retrieved 2,192 of 2,192 residues in 3864 ms
(Link to these results)