| 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 | 55.3 | Low | 79.8 | Confident | 227 Ų | 227 | 68.5 Ų | 68.5 | 100% | 1.118 | 39% | 0.393 | S | S | * | . | 0 | 138.2 | 0 | -78.8 | 133.7 | 84.4 | 0 | 0 | 110.1 | R3 | M1-R3 PolarHBondContact O-N 3.29Š| |||
| 2 | P | 69 | Low | 80.4 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | trans | -64.8 | 128.5 | 175.9 | -17.9 | 30.9 | 0 | 0 | 0 | 111.1 | H4 R13 | P2-H4 PolarHBondContact O-CE1 3.41Å; P2-H4 PolarHBondContact O-ND1 3.4Å; P2-R13 HydrophobicContact CB-CG 4.13Å | ||
| 3 | R | 84.1 | Confident | 81 | Confident | 106 Ų | 106 | 68.9 Ų | 68.9 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | trans | -83.7 | 144.3 | 175.3 | -55.8 | 175.6 | -178.5 | -166.6 | 0.4 | 109.3 | M1 D14 F25 Y62 | M1-R3 PolarHBondContact O-N 3.29Å; R3-D14 HydrophobicContact CB-CB 3.79Å; R3-D14 HydrophobicContact CG-CB 4.48Å; R3-D14 WeakPolarHBondContact O-CB 3.35Å; R3-D14 PolarHBondContact O-N 3.34Å; R3-F25 HydrophobicContact CB-CD1 4.47Å; R3-Y62 HydrophobicContact CB-CD2 4.14Å; R3-Y62 HydrophobicContact CB-CE2 4.5Å; R3-Y62 HydrophobicContact CB-CG 4.34Å; R3-Y62 HydrophobicContact CG-CD2 4.24Å; R3-Y62 HydrophobicContact CG-CE2 4.1Å; R3-Y62 VanDerWaalsContact NH1-CE1 3.33Å | ||
| 4 | H | 87.9 | Confident | 81.3 | Confident | 107 Ų | 107 | 65.5 Ų | 65.5 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -121.3 | 141.3 | 178 | -59.3 | 83.1 | 0 | 0 | 0 | 109.2 | P2 R13 | P2-H4 PolarHBondContact O-CE1 3.41Å; P2-H4 PolarHBondContact O-ND1 3.4Å; H4-R13 WeakPolarHBondContact NE2-CD 3.46Å |
| 5 | C | 88.2 | Confident | 81.7 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 135.4 | 173.8 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | C10 T12 F25 Y62 C64 H67 | C5-C10 HydrophobicContact CB-CB 4.19Å; C5-T12 PolarHBondContact N-O 2.68Å; C5-F25 HydrophobicContact CB-CE1 4.35Å; C5-Y62 WeakPolarHBondContact CA-O 3.13Å; C5-C64 HydrophobicContact CB-CB 4.32Å; C5-C64 PolarHBondContact SG-N 2.99Å; C5-H67 PolarHBondContact SG-NE2 3.43Å |
| 6 | S | 86.1 | Confident | 81.8 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | trans | -96.3 | -7.8 | -177.9 | -56.8 | 0 | 0 | 0 | 0 | 114 | R45 Y62 | S6-R45 PolarHBondContact O-NE 2.92Å; S6-R45 PolarHBondContact O-NH2 3.02Å; S6-Y62 PolarHBondContact N-O 3.45Å; S6-Y62 PolarHBondContact OG-O 2.85Å | ||
| 7 | A | 84.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -56.3 | 145.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G9 C10 F63 H67 | A7-G9 PolarHBondContact O-N 3.08Å; A7-C10 HydrophobicContact CB-CB 3.98Å; A7-C10 PolarHBondContact O-N 3.09Å; A7-F63 HydrophobicContact CB-CD1 4.13Å; A7-F63 HydrophobicContact CB-CE1 4.34Å; A7-H67 VanDerWaalsContact CB-NE2 3.27Å; A7-H67 WeakPolarHBondContact CB-NE2 3.07Å |
| 8 | A | 80.5 | Confident | 82.2 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 128.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C10 C43 Q44 | A8-C10 PolarHBondContact O-N 3.15Å; A8-C43 VanDerWaalsContact CB-O 3.27Å; A8-C43 WeakPolarHBondContact CB-O 3.44Å; A8-C43 PolarHBondContact N-O 3.13Å; A8-C43 VanDerWaalsContact N-O 3.13Å; A8-Q44 HydrophobicContact CB-CB 4.33Å; A8-Q44 WeakPolarHBondContact CB-O 3.48Å |
| 9 | G | 75.4 | Confident | 82.3 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -8.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A7 F96 | A7-G9 PolarHBondContact O-N 3.08Å; G9-F96 WeakPolarHBondContact O-CB 3.15Å |
| 10 | C | 84 | Confident | 82.3 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 12% | 0.122 | 38% | 0.384 | C | S | . | . | trans | -81.2 | 129.1 | 179.8 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | C5 A7 A8 T12 C64 H67 | C5-C10 HydrophobicContact CB-CB 4.19Å; A7-C10 HydrophobicContact CB-CB 3.98Å; A7-C10 PolarHBondContact O-N 3.09Å; A8-C10 PolarHBondContact O-N 3.15Å; C10-T12 PolarHBondContact SG-OG1 3.44Å; C10-C64 VanDerWaalsContact SG-SG 3.66Å; C10-H67 PolarHBondContact SG-NE2 2.97Å; C10-H67 VanDerWaalsContact SG-NE2 3.38Å | ||
| 11 | C | 82.9 | Confident | 82.4 | Confident | 102 Ų | 102 | 81.3 Ų | 81.3 | 69% | 0.689 | 40% | 0.4 | S | S | * | . | trans | -108.5 | 11.1 | 177 | 64 | 0 | 0 | 0 | 0 | 113.4 | R13 | C11-R13 PolarHBondContact O-N 3.01Š| ||
| 12 | T | 86.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | trans | -66.5 | 127.8 | -177.2 | -49.4 | 0 | 0 | 0 | 0 | 110.5 | C5 C10 T18 I23 F25 C64 | C5-T12 PolarHBondContact N-O 2.68Å; C10-T12 PolarHBondContact SG-OG1 3.44Å; T12-T18 HydrophobicContact CG2-CG2 4.26Å; T12-I23 HydrophobicContact CG2-CD1 4.2Å; T12-I23 HydrophobicContact CG2-CG2 4.11Å; T12-F25 HydrophobicContact CG2-CZ 3.96Å; T12-C64 HydrophobicContact CG2-CB 4.24Å | ||
| 13 | R | 88.5 | Confident | 84.6 | Confident | 127 Ų | 127 | 70.1 Ų | 70.1 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -119.8 | 143.1 | 179 | -174.3 | 174.8 | 70.9 | -175.5 | 1.6 | 109.7 | P2 H4 C11 T15 T18 F25 | P2-R13 HydrophobicContact CB-CG 4.13Å; H4-R13 WeakPolarHBondContact NE2-CD 3.46Å; C11-R13 PolarHBondContact O-N 3.01Å; R13-T15 HydrophobicContact CB-CG2 4.37Å; R13-T15 HydrophobicContact CG-CG2 4.2Å; R13-T15 PolarHBondContact O-N 3.46Å; R13-T18 VanDerWaalsContact O-CG2 3.27Å; R13-T18 WeakPolarHBondContact O-CG2 3.25Å; R13-T18 PolarHBondContact O-OG1 2.95Å; R13-F25 VanDerWaalsContact C-CZ 3.46Å |
| 14 | D | 85.9 | Confident | 84.8 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | trans | -70.1 | 93.7 | 177.2 | -175.3 | 17.5 | 0 | 0 | 0 | 110.2 | R3 R19 F25 | R3-D14 HydrophobicContact CB-CB 3.79Å; R3-D14 HydrophobicContact CG-CB 4.48Å; R3-D14 WeakPolarHBondContact O-CB 3.35Å; R3-D14 PolarHBondContact O-N 3.34Å; D14-R19 IonicContact OD1-CZ 3.72Å; D14-R19 VanDerWaalsContact OD1-CZ 3.24Å; D14-R19 IonicContact OD1-NE 3.1Å; D14-R19 PolarHBondContact OD1-NE 3.34Å; D14-R19 IonicContact OD1-NH2 3.93Å; D14-R19 PolarHBondContact OD1-NH2 2.97Å; D14-R19 IonicContact OD2-CZ 3.77Å; D14-R19 IonicContact OD2-NE 3.76Å; D14-R19 IonicContact OD2-NH2 2.9Å; D14-R19 PolarHBondContact OD2-NH2 3.45Å; D14-F25 VanDerWaalsContact CA-CE2 3.41Å; D14-F25 HydrophobicContact CB-CD2 3.79Å; D14-F25 HydrophobicContact CB-CE1 4.43Å; D14-F25 HydrophobicContact CB-CE2 3.54Å; D14-F25 HydrophobicContact CB-CG 4.35Å; D14-F25 HydrophobicContact CB-CZ 3.88Å; D14-F25 VanDerWaalsContact N-CZ 3.28Å | ||
| 15 | T | 87.3 | Confident | 84.8 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | trans | -124.4 | 167.1 | 173.7 | 75.6 | 0 | 0 | 0 | 0 | 110.6 | R13 E17 T18 R19 | R13-T15 HydrophobicContact CB-CG2 4.37Å; R13-T15 HydrophobicContact CG-CG2 4.2Å; R13-T15 PolarHBondContact O-N 3.46Å; T15-E17 WeakPolarHBondContact CB-OE2 3.48Å; T15-E17 PolarHBondContact O-N 3.05Å; T15-E17 PolarHBondContact OG1-OE2 3.42Å; T15-T18 PolarHBondContact N-OG1 3.22Å; T15-T18 PolarHBondContact O-N 3.39Å; T15-T18 PolarHBondContact O-OG1 3.01Å; T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 3.04Å; T15-R19 VanDerWaalsContact O-N 3.15Å | ||
| 16 | R | 82.3 | Confident | 84.8 | Confident | 164 Ų | 164 | 63.5 Ų | 63.5 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59 | -37.5 | 177.8 | -174.7 | 170.8 | 64 | 174.8 | 4.1 | 111.1 | T18 R19 N20 | R16-T18 PolarHBondContact O-N 3.41Å; R16-R19 PolarHBondContact O-N 3.29Å; R16-N20 VanDerWaalsContact O-CG 3.23Å; R16-N20 PolarHBondContact O-N 3.34Å; R16-N20 PolarHBondContact O-OD1 3.15Å |
| 17 | E | 84.4 | Confident | 84.9 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 179.6 | -57.1 | 70.7 | -147.8 | 0 | 0 | 111.8 | T15 N20 R21 | T15-E17 WeakPolarHBondContact CB-OE2 3.48Å; T15-E17 PolarHBondContact O-N 3.05Å; T15-E17 PolarHBondContact OG1-OE2 3.42Å; E17-N20 PolarHBondContact O-N 2.88Å; E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 3.48Å |
| 18 | T | 86.3 | Confident | 85 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.6 | -33.7 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | T12 R13 T15 R16 R21 I23 | T12-T18 HydrophobicContact CG2-CG2 4.26Å; R13-T18 VanDerWaalsContact O-CG2 3.27Å; R13-T18 WeakPolarHBondContact O-CG2 3.25Å; R13-T18 PolarHBondContact O-OG1 2.95Å; T15-T18 PolarHBondContact N-OG1 3.22Å; T15-T18 PolarHBondContact O-N 3.39Å; T15-T18 PolarHBondContact O-OG1 3.01Å; R16-T18 PolarHBondContact O-N 3.41Å; T18-R21 PolarHBondContact O-N 3.07Å; T18-I23 HydrophobicContact CG2-CD1 4.33Å; T18-I23 WeakPolarHBondContact O-CB 3.33Å; T18-I23 PolarHBondContact O-N 3.01Å |
| 19 | R | 84.2 | Confident | 85.3 | Confident | 150 Ų | 150 | 67 Ų | 67 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.3 | -40.2 | 174.2 | -66.3 | 176.3 | -167.6 | 170.8 | -0.9 | 111.8 | D14 T15 R16 R21 G22 | D14-R19 IonicContact OD1-CZ 3.72Å; D14-R19 VanDerWaalsContact OD1-CZ 3.24Å; D14-R19 IonicContact OD1-NE 3.1Å; D14-R19 PolarHBondContact OD1-NE 3.34Å; D14-R19 IonicContact OD1-NH2 3.93Å; D14-R19 PolarHBondContact OD1-NH2 2.97Å; D14-R19 IonicContact OD2-CZ 3.77Å; D14-R19 IonicContact OD2-NE 3.76Å; D14-R19 IonicContact OD2-NH2 2.9Å; D14-R19 PolarHBondContact OD2-NH2 3.45Å; T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 3.04Å; T15-R19 VanDerWaalsContact O-N 3.15Å; R16-R19 PolarHBondContact O-N 3.29Å; R19-R21 PolarHBondContact O-N 2.96Å; R19-G22 PolarHBondContact O-N 3.3Å |
| 20 | N | 83.3 | Confident | 85.7 | Confident | 131 Ų | 131 | 71.9 Ų | 71.9 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63 | -21.9 | 174 | -68.8 | 2.8 | 0 | 0 | 0 | 112.6 | R16 E17 G22 | R16-N20 VanDerWaalsContact O-CG 3.23Å; R16-N20 PolarHBondContact O-N 3.34Å; R16-N20 PolarHBondContact O-OD1 3.15Å; E17-N20 PolarHBondContact O-N 2.88Å; N20-G22 VanDerWaalsContact C-N 3.29Å |
| 21 | R | 83.8 | Confident | 85.3 | Confident | 192 Ų | 192 | 78.8 Ų | 78.8 | 73% | 0.725 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9.9 | 172.7 | -65.3 | 175.3 | -174.9 | -156.2 | 0.7 | 113.2 | E17 T18 R19 I23 | E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 3.48Å; T18-R21 PolarHBondContact O-N 3.07Å; R19-R21 PolarHBondContact O-N 2.96Å; R21-I23 VanDerWaalsContact C-N 3.3Å; R21-I23 HydrophobicContact CB-CD1 4.37Å; R21-I23 HydrophobicContact CB-CG1 4.41Å; R21-I23 PolarHBondContact O-N 3.18Å |
| 22 | G | 84 | Confident | 85.1 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 13.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R19 N20 S24 | R19-G22 PolarHBondContact O-N 3.3Å; N20-G22 VanDerWaalsContact C-N 3.29Å; G22-S24 PolarHBondContact O-N 2.9Å |
| 23 | I | 87 | Confident | 84.9 | Confident | 17 Ų | 17 | 83.3 Ų | 83.3 | 9% | 0.087 | 39% | 0.389 | C | S | . | . | trans | -82.9 | 114.3 | -179.9 | -56.5 | 166.9 | 0 | 0 | 0 | 109.9 | T12 T18 R21 F25 C64 S65 | T12-I23 HydrophobicContact CG2-CD1 4.2Å; T12-I23 HydrophobicContact CG2-CG2 4.11Å; T18-I23 HydrophobicContact CG2-CD1 4.33Å; T18-I23 WeakPolarHBondContact O-CB 3.33Å; T18-I23 PolarHBondContact O-N 3.01Å; R21-I23 VanDerWaalsContact C-N 3.3Å; R21-I23 HydrophobicContact CB-CD1 4.37Å; R21-I23 HydrophobicContact CB-CG1 4.41Å; R21-I23 PolarHBondContact O-N 3.18Å; I23-F25 HydrophobicContact CG2-CE2 4.28Å; I23-C64 HydrophobicContact CG2-CB 3.77Å; I23-S65 WeakPolarHBondContact CA-OG 2.92Å | ||
| 24 | S | 87.5 | Confident | 84.5 | Confident | 33 Ų | 33 | 83 Ų | 83 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | trans | -96.2 | 158.1 | 172.4 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | G22 H26 C64 S65 | G22-S24 PolarHBondContact O-N 2.9Å; S24-H26 PolarHBondContact OG-NE2 3.34Å; S24-C64 CarbonylContact O-C 3.59Å; S24-C64 VanDerWaalsContact O-CA 3.28Å; S24-C64 WeakPolarHBondContact O-CA 3.47Å; S24-S65 PolarHBondContact N-OG 3.05Å; S24-S65 PolarHBondContact O-N 3.32Å; S24-S65 WeakPolarHBondContact OG-CB 3.28Å | ||
| 25 | F | 88.1 | Confident | 84.3 | Confident | 27 Ų | 27 | 83.9 Ų | 83.9 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.1 | 177.6 | -74.9 | -96.7 | 0 | 0 | 0 | 110.2 | R3 C5 T12 R13 D14 I23 F63 C64 | R3-F25 HydrophobicContact CB-CD1 4.47Å; C5-F25 HydrophobicContact CB-CE1 4.35Å; T12-F25 HydrophobicContact CG2-CZ 3.96Å; R13-F25 VanDerWaalsContact C-CZ 3.46Å; D14-F25 VanDerWaalsContact CA-CE2 3.41Å; D14-F25 HydrophobicContact CB-CD2 3.79Å; D14-F25 HydrophobicContact CB-CE1 4.43Å; D14-F25 HydrophobicContact CB-CE2 3.54Å; D14-F25 HydrophobicContact CB-CG 4.35Å; D14-F25 HydrophobicContact CB-CZ 3.88Å; D14-F25 VanDerWaalsContact N-CZ 3.28Å; I23-F25 HydrophobicContact CG2-CE2 4.28Å; F25-F63 WeakPolarHBondContact CA-O 3.44Å; F25-C64 HydrophobicContact CD1-CB 4.32Å; F25-C64 HydrophobicContact CE1-CB 4.05Å; F25-C64 HydrophobicContact CZ-CB 4.31Å |
| 26 | H | 88.3 | Confident | 84.2 | Confident | 25 Ų | 25 | 83.9 Ų | 83.9 | 12% | 0.116 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.7 | -177.1 | -57.6 | -83.4 | 0 | 0 | 0 | 109.8 | S24 W39 Y62 F63 F73 H82 L84 | S24-H26 PolarHBondContact OG-NE2 3.34Å; H26-W39 HydrophobicContact CB-CH2 4.03Å; H26-W39 HydrophobicContact CB-CZ3 4.45Å; H26-Y62 CarbonylContact O-C 3.49Å; H26-Y62 VanDerWaalsContact O-CA 3.31Å; H26-Y62 WeakPolarHBondContact O-CA 3.3Å; H26-F63 PolarHBondContact N-O 2.94Å; H26-F63 PolarHBondContact O-N 3.21Å; H26-F73 AromaticContact CE1-CE1 3.95Å; H26-F73 AromaticContact NE2-CE1 3.49Å; H26-F73 WeakPolarHBondContact NE2-CE1 3.43Å; H26-H82 PolarHBondContact CE1-O 3.46Å; H26-L84 HydrophobicContact CB-CD1 3.52Å |
| 27 | R | 89 | Confident | 84.1 | Confident | 100 Ų | 100 | 77.8 Ų | 77.8 | 38% | 0.377 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 140.7 | 178 | -167 | -178.5 | -177 | -157.2 | 2 | 109 | E59 I61 Y62 | R27-E59 VanDerWaalsContact CZ-O 3.25Å; R27-E59 PolarHBondContact NE-O 3.21Å; R27-E59 PolarHBondContact NH2-O 2.93Å; R27-E59 IonicContact NH2-OE2 3.02Å; R27-E59 PolarHBondContact NH2-OE2 3.35Å; R27-E59 VanDerWaalsContact NH2-OE2 3.1Å; R27-I61 WeakPolarHBondContact CA-O 3.26Å; R27-Y62 HydrophobicContact CB-CD1 4.1Å; R27-Y62 HydrophobicContact CB-CE1 3.9Å; R27-Y62 HydrophobicContact CG-CD1 4.48Å; R27-Y62 HydrophobicContact CG-CE1 4.09Å |
| 28 | L | 86.9 | Confident | 84.1 | Confident | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 137.6 | 172.1 | -175.8 | 67.2 | 0 | 0 | 0 | 110 | R36 W39 L40 P56 I61 F63 | L28-R36 HydrophobicContact CD1-CG 4.15Å; L28-R36 HydrophobicContact CD2-CG 4.14Å; L28-R36 HydrophobicContact CG-CG 4.1Å; L28-W39 HydrophobicContact CD1-CB 3.61Å; L28-W39 HydrophobicContact CD1-CD2 4.18Å; L28-W39 HydrophobicContact CD1-CE3 3.73Å; L28-W39 HydrophobicContact CD1-CG 4.2Å; L28-L40 HydrophobicContact CD1-CD2 4.39Å; L28-L40 HydrophobicContact CD1-CG 4.44Å; L28-L40 HydrophobicContact CD2-CD2 3.8Å; L28-L40 HydrophobicContact CD2-CG 4.28Å; L28-P56 HydrophobicContact CD2-CG 4.47Å; L28-I61 HydrophobicContact CB-CB 4.03Å; L28-I61 HydrophobicContact CB-CG2 4.33Å; L28-I61 HydrophobicContact CD2-CB 4.28Å; L28-I61 HydrophobicContact CD2-CD1 3.52Å; L28-I61 HydrophobicContact CD2-CG2 4.38Å; L28-I61 PolarHBondContact N-O 2.95Å; L28-F63 HydrophobicContact CB-CE2 4.11Å; L28-F63 HydrophobicContact CD1-CE2 3.83Å; L28-F63 HydrophobicContact CG-CE2 4.41Å |
| 29 | P | 85.4 | Confident | 84.1 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 153.9 | 173.7 | -26.3 | 36.3 | 0 | 0 | 0 | 112.9 | N33 R36 | P29-N33 HydrophobicContact CB-CB 3.73Å; P29-R36 HydrophobicContact CB-CB 4.39Å; P29-R36 PolarHBondContact O-NH1 2.95Å |
| 30 | K | 83.8 | Confident | 84 | Confident | 144 Ų | 144 | 69.4 Ų | 69.4 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 160.9 | 174.4 | -67.3 | -174.1 | 177.4 | -175.5 | 0 | 110.7 | D32 N33 | K30-D32 PolarHBondContact O-N 3.34Å; K30-N33 WeakPolarHBondContact O-CB 3.49Å; K30-N33 PolarHBondContact O-N 3.16Å |
| 31 | K | 75.5 | Confident | 83.8 | Confident | 163 Ų | 163 | 65.5 Ų | 65.5 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.4 | -176.8 | -168.5 | 175.2 | 179.2 | 179.5 | 0 | 113.1 | N33 | K31-N33 PolarHBondContact O-N 2.85Š|
| 32 | D | 78.5 | Confident | 83.6 | Confident | 150 Ų | 150 | 58 Ų | 58 | 80% | 0.802 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -8.6 | -179.3 | -41.6 | -51.4 | 0 | 0 | 0 | 113.2 | K30 | K30-D32 PolarHBondContact O-N 3.34Š|
| 33 | N | 82.3 | Confident | 83 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | trans | -92.4 | 122.1 | -179.2 | -162.5 | -80.1 | 0 | 0 | 0 | 110.5 | P29 K30 K31 R35 R36 | P29-N33 HydrophobicContact CB-CB 3.73Å; K30-N33 WeakPolarHBondContact O-CB 3.49Å; K30-N33 PolarHBondContact O-N 3.16Å; K31-N33 PolarHBondContact O-N 2.85Å; N33-R35 PolarHBondContact O-N 2.86Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 3.39Å; N33-R35 VanDerWaalsContact OD1-N 3.11Å; N33-R36 VanDerWaalsContact O-CB 3.28Å; N33-R36 WeakPolarHBondContact O-CB 3.37Å; N33-R36 PolarHBondContact O-N 3.39Å | ||
| 34 | P | 80.2 | Confident | 82.1 | Confident | 120 Ų | 120 | 60.1 Ų | 60.1 | 78% | 0.779 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.4 | -177.2 | 25.3 | -34.7 | 0 | 0 | 0 | 112.5 | R36 | P34-R36 PolarHBondContact O-N 3.43Š|
| 35 | R | 82.4 | Confident | 81.3 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 15% | 0.151 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.4 | -21.4 | 177.7 | -152.7 | -167.8 | -51.7 | 165.9 | 9.9 | 113.6 | N33 G37 L38 W39 K85 E86 A88 V89 | N33-R35 PolarHBondContact O-N 2.86Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 3.39Å; N33-R35 VanDerWaalsContact OD1-N 3.11Å; R35-G37 VanDerWaalsContact C-N 3.31Å; R35-G37 PolarHBondContact O-N 3.02Å; R35-L38 PolarHBondContact O-N 3.49Å; R35-W39 VanDerWaalsContact O-CD1 3.31Å; R35-W39 PolarHBondContact O-N 3.03Å; R35-K85 PolarHBondContact NH1-O 3.15Å; R35-K85 PolarHBondContact NH2-O 3.04Å; R35-E86 PolarHBondContact NE-O 3.34Å; R35-E86 VanDerWaalsContact NH2-CA 3.27Å; R35-E86 PolarHBondContact NH2-O 3.17Å; R35-A88 WeakPolarHBondContact CD-O 3.4Å; R35-V89 HydrophobicContact CG-CG1 3.7Å |
| 36 | R | 84.6 | Confident | 80 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 178.9 | -178.4 | -173.8 | 170 | 94.6 | -1 | 111.1 | L28 P29 N33 P34 L38 W39 L40 D55 P56 | L28-R36 HydrophobicContact CD1-CG 4.15Å; L28-R36 HydrophobicContact CD2-CG 4.14Å; L28-R36 HydrophobicContact CG-CG 4.1Å; P29-R36 HydrophobicContact CB-CB 4.39Å; P29-R36 PolarHBondContact O-NH1 2.95Å; N33-R36 VanDerWaalsContact O-CB 3.28Å; N33-R36 WeakPolarHBondContact O-CB 3.37Å; N33-R36 PolarHBondContact O-N 3.39Å; P34-R36 PolarHBondContact O-N 3.43Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 2.91Å; R36-W39 PolarHBondContact O-N 3.43Å; R36-L40 HydrophobicContact CG-CD1 4.02Å; R36-L40 HydrophobicContact CG-CG 4.46Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 2.95Å; R36-D55 IonicContact CZ-OD1 2.95Å; R36-D55 IonicContact NE-OD1 3.99Å; R36-D55 IonicContact NH2-OD1 2.73Å; R36-D55 PolarHBondContact NH2-OD1 3.39Å; R36-P56 PolarHBondContact NH2-O 3.34Å; R36-P56 VanDerWaalsContact NH2-O 3.15Å |
| 37 | G | 80.4 | Confident | 78.7 | Confident | 37 Ų | 37 | 68 Ų | 68 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R35 L40 A41 | R35-G37 VanDerWaalsContact C-N 3.31Å; R35-G37 PolarHBondContact O-N 3.02Å; G37-L40 PolarHBondContact O-N 2.91Å; G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 3.25Å |
| 38 | L | 83.8 | Confident | 77.3 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 179.5 | -169.7 | 53.4 | 0 | 0 | 0 | 112.3 | R35 R36 N42 V89 | R35-L38 PolarHBondContact O-N 3.49Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 2.91Å; L38-N42 WeakPolarHBondContact O-CB 3.48Å; L38-N42 PolarHBondContact O-N 3.33Å; L38-V89 HydrophobicContact CB-CG1 4.08Å; L38-V89 HydrophobicContact CD2-CB 4.06Å; L38-V89 HydrophobicContact CD2-CG1 3.36Å; L38-V89 HydrophobicContact CD2-CG2 4.04Å; L38-V89 HydrophobicContact CG-CB 4.04Å; L38-V89 HydrophobicContact CG-CG1 3.62Å; L38-V89 HydrophobicContact CG-CG2 4.32Å |
| 39 | W | 86.3 | Confident | 75.9 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.015 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 171.6 | -80.4 | 39.4 | 0 | 0 | 0 | 111.9 | H26 L28 R35 R36 N42 C43 F63 F68 L84 A88 P90 | H26-W39 HydrophobicContact CB-CH2 4.03Å; H26-W39 HydrophobicContact CB-CZ3 4.45Å; L28-W39 HydrophobicContact CD1-CB 3.61Å; L28-W39 HydrophobicContact CD1-CD2 4.18Å; L28-W39 HydrophobicContact CD1-CE3 3.73Å; L28-W39 HydrophobicContact CD1-CG 4.2Å; R35-W39 VanDerWaalsContact O-CD1 3.31Å; R35-W39 PolarHBondContact O-N 3.03Å; R36-W39 PolarHBondContact O-N 3.43Å; W39-N42 PolarHBondContact O-N 2.7Å; W39-C43 WeakPolarHBondContact O-CB 3.44Å; W39-C43 PolarHBondContact O-N 3.49Å; W39-C43 PolarHBondContact O-SG 3.3Å; W39-F63 AromaticContact CE3-CD2 3.45Å; W39-F63 HydrophobicContact CE3-CD2 3.45Å; W39-F63 VanDerWaalsContact CE3-CD2 3.45Å; W39-F63 AromaticContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CG 4.24Å; W39-F63 HydrophobicContact CZ3-CB 4.34Å; W39-F63 AromaticContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CE2 4.43Å; W39-F63 HydrophobicContact CZ3-CG 4.34Å; W39-F68 HydrophobicContact CD2-CE1 4.27Å; W39-F68 HydrophobicContact CD2-CZ 4.18Å; W39-F68 AromaticContact CE2-CE1 3.63Å; W39-F68 AromaticContact CE2-CZ 3.89Å; W39-F68 HydrophobicContact CE3-CZ 4.03Å; W39-F68 AromaticContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE2 4.4Å; W39-F68 AromaticContact CH2-CZ 3.39Å; W39-F68 HydrophobicContact CH2-CZ 3.39Å; W39-F68 AromaticContact CZ2-CE1 3.37Å; W39-F68 HydrophobicContact CZ2-CE1 3.37Å; W39-F68 AromaticContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ3-CE1 4.36Å; W39-F68 AromaticContact CZ3-CZ 3.65Å; W39-F68 HydrophobicContact CZ3-CZ 3.65Å; W39-L84 HydrophobicContact CH2-CD1 3.42Å; W39-L84 VanDerWaalsContact CH2-CD1 3.42Å; W39-L84 HydrophobicContact CZ2-CD1 3.53Å; W39-A88 PolarHBondContact NE1-O 2.98Å; W39-P90 HydrophobicContact CB-CG 4.38Å; W39-P90 VanDerWaalsContact CD1-CD 3.41Å; W39-P90 HydrophobicContact CG-CG 4.2Å |
| 40 | L | 83.8 | Confident | 74.5 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | -179.2 | -68.7 | 174.3 | 0 | 0 | 0 | 112 | L28 R36 G37 N42 C43 L53 W54 P56 | L28-L40 HydrophobicContact CD1-CD2 4.39Å; L28-L40 HydrophobicContact CD1-CG 4.44Å; L28-L40 HydrophobicContact CD2-CD2 3.8Å; L28-L40 HydrophobicContact CD2-CG 4.28Å; R36-L40 HydrophobicContact CG-CD1 4.02Å; R36-L40 HydrophobicContact CG-CG 4.46Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 2.95Å; G37-L40 PolarHBondContact O-N 2.91Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.03Å; L40-C43 PolarHBondContact O-N 3.41Å; L40-L53 HydrophobicContact CB-CD1 4.33Å; L40-W54 HydrophobicContact CD2-CE3 3.75Å; L40-W54 HydrophobicContact CD2-CZ3 3.87Å; L40-P56 HydrophobicContact CD2-CG 3.97Å |
| 41 | A | 78.8 | Confident | 73 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G37 C43 Q44 L53 | G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 3.25Å; A41-C43 VanDerWaalsContact C-N 3.32Å; A41-C43 PolarHBondContact O-N 3.31Å; A41-Q44 PolarHBondContact O-N 3.29Å; A41-L53 HydrophobicContact CB-CD1 4.16Å |
| 42 | N | 79 | Confident | 72.2 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 18% | 0.176 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.9 | -25 | -179 | -73.8 | 1.5 | 0 | 0 | 0 | 112.8 | L38 W39 L40 Q44 P90 F93 | L38-N42 WeakPolarHBondContact O-CB 3.48Å; L38-N42 PolarHBondContact O-N 3.33Å; W39-N42 PolarHBondContact O-N 2.7Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.03Å; N42-Q44 PolarHBondContact O-N 3.43Å; N42-P90 HydrophobicContact CB-CG 3.93Å; N42-P90 WeakPolarHBondContact CB-O 3.21Å; N42-P90 PolarHBondContact ND2-O 2.9Å; N42-F93 HydrophobicContact CB-CE1 3.73Å; N42-F93 HydrophobicContact CB-CZ 3.68Å; N42-F93 WeakPolarHBondContact O-CD1 3.04Å; N42-F93 WeakPolarHBondContact O-CE1 3.28Å |
| 43 | C | 72.4 | Confident | 71.5 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -1 | -178.6 | -72.6 | 0 | 0 | 0 | 0 | 114.7 | A8 W39 L40 A41 R45 F63 | A8-C43 VanDerWaalsContact CB-O 3.27Å; A8-C43 WeakPolarHBondContact CB-O 3.44Å; A8-C43 PolarHBondContact N-O 3.13Å; A8-C43 VanDerWaalsContact N-O 3.13Å; W39-C43 WeakPolarHBondContact O-CB 3.44Å; W39-C43 PolarHBondContact O-N 3.49Å; W39-C43 PolarHBondContact O-SG 3.3Å; L40-C43 PolarHBondContact O-N 3.41Å; A41-C43 VanDerWaalsContact C-N 3.32Å; A41-C43 PolarHBondContact O-N 3.31Å; C43-R45 PolarHBondContact O-N 3.03Å; C43-F63 HydrophobicContact CB-CE1 3.83Å; C43-F63 HydrophobicContact CB-CZ 4.22Å; C43-F63 VanDerWaalsContact SG-CD1 3.5Å; C43-F63 WeakPolarHBondContact SG-CE1 3.46Å; C43-F63 WeakPolarHBondContact SG-CZ 3.48Å |
| 44 | Q | 67.3 | Low | 71 | Confident | 110 Ų | 110 | 67 Ų | 67 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 27.5 | 174.1 | -65.6 | 179 | 21.1 | 0 | 0 | 113.1 | A8 A41 N42 F93 | A8-Q44 HydrophobicContact CB-CB 4.33Å; A8-Q44 WeakPolarHBondContact CB-O 3.48Å; A41-Q44 PolarHBondContact O-N 3.29Å; N42-Q44 PolarHBondContact O-N 3.43Å; Q44-F93 VanDerWaalsContact NE2-CD1 3.32Å |
| 45 | R | 70.1 | Confident | 70.6 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 36% | 0.362 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 124.9 | 175.8 | -176.3 | 170.8 | -77.7 | -96.1 | 6.3 | 106.7 | S6 C43 W54 | S6-R45 PolarHBondContact O-NE 2.92Å; S6-R45 PolarHBondContact O-NH2 3.02Å; C43-R45 PolarHBondContact O-N 3.03Å; R45-W54 HydrophobicContact CB-CB 4.24Å; R45-W54 HydrophobicContact CB-CD2 3.94Å; R45-W54 HydrophobicContact CB-CE3 3.76Å; R45-W54 HydrophobicContact CB-CG 4.16Å; R45-W54 HydrophobicContact CB-CZ3 4.41Å; R45-W54 VanDerWaalsContact CD-CZ2 3.46Å; R45-W54 HydrophobicContact CG-CB 4.2Å; R45-W54 HydrophobicContact CG-CD2 3.67Å; R45-W54 HydrophobicContact CG-CE3 3.97Å; R45-W54 HydrophobicContact CG-CG 3.77Å; R45-W54 WeakPolarHBondContact O-CB 3.39Å |
| 46 | L | 62.1 | Low | 70.2 | Confident | 115 Ų | 115 | 64.4 Ų | 64.4 | 60% | 0.602 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -88.2 | 151.7 | 169.1 | -61.3 | 176.5 | 0 | 0 | 0 | 108.5 | ||
| 47 | D | 60.6 | Low | 69.5 | Low | 41 Ų | 41 | 68.2 Ų | 68.2 | 22% | 0.219 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 156.3 | 170.1 | -80.3 | -49.6 | 0 | 0 | 0 | 111.5 | S49 G50 W54 | D47-S49 WeakPolarHBondContact CB-OG 3.32Å; D47-S49 PolarHBondContact O-N 2.83Å; D47-G50 PolarHBondContact O-N 2.97Å; D47-W54 WeakPolarHBondContact OD1-CA 3.48Å |
| 48 | P | 58.3 | Low | 69.3 | Low | 135 Ų | 135 | 69.5 Ų | 69.5 | 88% | 0.877 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -22.2 | 175.2 | -23.6 | 33.2 | 0 | 0 | 0 | 113.9 | ||
| 49 | S | 57.5 | Low | 69 | Low | 95 Ų | 95 | 71.2 Ų | 71.2 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.5 | 176.9 | 37 | 0 | 0 | 0 | 0 | 114.4 | D47 Q51 | D47-S49 WeakPolarHBondContact CB-OG 3.32Å; D47-S49 PolarHBondContact O-N 2.83Å; S49-Q51 PolarHBondContact O-N 3.03Å; S49-Q51 VanDerWaalsContact O-N 3.16Å |
| 50 | G | 57.8 | Low | 68.8 | Low | 47 Ų | 47 | 78.8 Ų | 78.8 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | S | Bend | trans | 71.6 | 3.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D47 | D47-G50 PolarHBondContact O-N 2.97Š|
| 51 | Q | 50.5 | Low | 68.9 | Low | 171 Ų | 171 | 78.8 Ų | 78.8 | 80% | 0.799 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -131.1 | 104.1 | 178.3 | -67.3 | -166.2 | -25.1 | 0 | 0 | 108.8 | S49 | S49-Q51 PolarHBondContact O-N 3.03Å; S49-Q51 VanDerWaalsContact O-N 3.16Å |
| 52 | G | 59 | Low | 69.4 | Low | 41 Ų | 41 | 77.9 Ų | 77.9 | 42% | 0.423 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 135.4 | 163.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | W54 | G52-W54 PolarHBondContact O-N 2.96Š|
| 53 | L | 63.9 | Low | 69.9 | Low | 110 Ų | 110 | 76.3 Ų | 76.3 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | B | Isolated β-bridge | trans | -71.9 | 113.4 | 168.5 | 176.2 | 66.7 | 0 | 0 | 0 | 108.3 | L40 A41 D55 | L40-L53 HydrophobicContact CB-CD1 4.33Å; A41-L53 HydrophobicContact CB-CD1 4.16Å; L53-D55 PolarHBondContact O-N 2.89Å |
| 54 | W | 71.4 | Confident | 70.7 | Confident | 34 Ų | 34 | 76 Ų | 76 | 13% | 0.129 | 43% | 0.426 | C | S | . | . | trans | -57.9 | 109.4 | 179.8 | 176.1 | 60.9 | 0 | 0 | 0 | 111.9 | L40 R45 D47 G52 P56 I61 F63 | L40-W54 HydrophobicContact CD2-CE3 3.75Å; L40-W54 HydrophobicContact CD2-CZ3 3.87Å; R45-W54 HydrophobicContact CB-CB 4.24Å; R45-W54 HydrophobicContact CB-CD2 3.94Å; R45-W54 HydrophobicContact CB-CE3 3.76Å; R45-W54 HydrophobicContact CB-CG 4.16Å; R45-W54 HydrophobicContact CB-CZ3 4.41Å; R45-W54 VanDerWaalsContact CD-CZ2 3.46Å; R45-W54 HydrophobicContact CG-CB 4.2Å; R45-W54 HydrophobicContact CG-CD2 3.67Å; R45-W54 HydrophobicContact CG-CE3 3.97Å; R45-W54 HydrophobicContact CG-CG 3.77Å; R45-W54 WeakPolarHBondContact O-CB 3.39Å; D47-W54 WeakPolarHBondContact OD1-CA 3.48Å; G52-W54 PolarHBondContact O-N 2.96Å; W54-P56 HydrophobicContact CD2-CG 4.22Å; W54-P56 HydrophobicContact CE3-CG 4.29Å; W54-P56 HydrophobicContact CH2-CB 4.16Å; W54-P56 HydrophobicContact CH2-CG 3.84Å; W54-P56 HydrophobicContact CZ2-CB 3.6Å; W54-P56 HydrophobicContact CZ2-CG 3.75Å; W54-P56 HydrophobicContact CZ3-CG 4.12Å; W54-P56 VanDerWaalsContact O-CD 3.3Å; W54-P56 WeakPolarHBondContact O-CD 3.27Å; W54-I61 HydrophobicContact CH2-CG2 3.98Å; W54-F63 HydrophobicContact CZ3-CZ 4.26Å | ||
| 55 | D | 72.8 | Confident | 71.7 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | trans | -110.4 | 95 | 171.3 | -169 | 20.4 | 0 | 0 | 0 | 111.1 | R36 L53 A57 | R36-D55 IonicContact CZ-OD1 2.95Å; R36-D55 IonicContact NE-OD1 3.99Å; R36-D55 IonicContact NH2-OD1 2.73Å; R36-D55 PolarHBondContact NH2-OD1 3.39Å; L53-D55 PolarHBondContact O-N 2.89Å; D55-A57 PolarHBondContact O-N 3.21Å | ||
| 56 | P | 74.8 | Confident | 72.4 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 10% | 0.097 | 41% | 0.408 | C | S | . | . | trans | -70.3 | 123.6 | 178.8 | 27.1 | -35.9 | 0 | 0 | 0 | 112.1 | L28 R36 L40 W54 S58 I61 | L28-P56 HydrophobicContact CD2-CG 4.47Å; R36-P56 PolarHBondContact NH2-O 3.34Å; R36-P56 VanDerWaalsContact NH2-O 3.15Å; L40-P56 HydrophobicContact CD2-CG 3.97Å; W54-P56 HydrophobicContact CD2-CG 4.22Å; W54-P56 HydrophobicContact CE3-CG 4.29Å; W54-P56 HydrophobicContact CH2-CB 4.16Å; W54-P56 HydrophobicContact CH2-CG 3.84Å; W54-P56 HydrophobicContact CZ2-CB 3.6Å; W54-P56 HydrophobicContact CZ2-CG 3.75Å; W54-P56 HydrophobicContact CZ3-CG 4.12Å; W54-P56 VanDerWaalsContact O-CD 3.3Å; W54-P56 WeakPolarHBondContact O-CD 3.27Å; P56-S58 PolarHBondContact O-N 3.31Å; P56-I61 HydrophobicContact CB-CD1 3.49Å; P56-I61 VanDerWaalsContact CB-CD1 3.49Å; P56-I61 HydrophobicContact CB-CG1 3.98Å; P56-I61 HydrophobicContact CG-CD1 3.06Å; P56-I61 HydrophobicContact CG-CG1 3.88Å | ||
| 57 | A | 68.8 | Low | 73.6 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 91% | 0.909 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -64.7 | -19.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D55 | D55-A57 PolarHBondContact O-N 3.21Š|
| 58 | S | 77.2 | Confident | 74.9 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | trans | -81.1 | 134.9 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | P56 Y60 I61 | P56-S58 PolarHBondContact O-N 3.31Å; S58-Y60 PolarHBondContact O-N 2.85Å; S58-Y60 PolarHBondContact OG-N 3.36Å; S58-I61 WeakPolarHBondContact O-CD1 3.44Å; S58-I61 WeakPolarHBondContact O-CG1 3.39Å | ||
| 59 | E | 75.8 | Confident | 76.1 | Confident | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -79.2 | -4.7 | 172.6 | -50.7 | -169.4 | 155.2 | 0 | 0 | 113.9 | R27 I61 | R27-E59 VanDerWaalsContact CZ-O 3.25Å; R27-E59 PolarHBondContact NE-O 3.21Å; R27-E59 PolarHBondContact NH2-O 2.93Å; R27-E59 IonicContact NH2-OE2 3.02Å; R27-E59 PolarHBondContact NH2-OE2 3.35Å; R27-E59 VanDerWaalsContact NH2-OE2 3.1Å; E59-I61 PolarHBondContact O-N 3.05Å |
| 60 | Y | 83 | Confident | 77.2 | Confident | 163 Ų | 163 | 65.9 Ų | 65.9 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | trans | -98.9 | 46.6 | -173.5 | -62.2 | -73.5 | 0 | 0 | 0 | 112.7 | S58 Y62 | S58-Y60 PolarHBondContact O-N 2.85Å; S58-Y60 PolarHBondContact OG-N 3.36Å; Y60-Y62 VanDerWaalsContact O-CD2 3.31Å; Y60-Y62 WeakPolarHBondContact O-CD2 3.35Å; Y60-Y62 WeakPolarHBondContact O-CE2 3.49Å | ||
| 61 | I | 86.8 | Confident | 78.3 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | trans | -95.2 | 134.1 | 178.6 | -55.2 | 138.4 | 0 | 0 | 0 | 109.2 | R27 L28 W54 P56 S58 E59 F63 | R27-I61 WeakPolarHBondContact CA-O 3.26Å; L28-I61 HydrophobicContact CB-CB 4.03Å; L28-I61 HydrophobicContact CB-CG2 4.33Å; L28-I61 HydrophobicContact CD2-CB 4.28Å; L28-I61 HydrophobicContact CD2-CD1 3.52Å; L28-I61 HydrophobicContact CD2-CG2 4.38Å; L28-I61 PolarHBondContact N-O 2.95Å; W54-I61 HydrophobicContact CH2-CG2 3.98Å; P56-I61 HydrophobicContact CB-CD1 3.49Å; P56-I61 VanDerWaalsContact CB-CD1 3.49Å; P56-I61 HydrophobicContact CB-CG1 3.98Å; P56-I61 HydrophobicContact CG-CD1 3.06Å; P56-I61 HydrophobicContact CG-CG1 3.88Å; S58-I61 WeakPolarHBondContact O-CD1 3.44Å; S58-I61 WeakPolarHBondContact O-CG1 3.39Å; E59-I61 PolarHBondContact O-N 3.05Å; I61-F63 HydrophobicContact CG2-CE2 3.66Å; I61-F63 HydrophobicContact CG2-CZ 3.78Å | ||
| 62 | Y | 88.5 | Confident | 79.8 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.7 | -178.2 | -60.4 | -86.5 | 0 | 0 | 0 | 111.8 | R3 C5 S6 H26 R27 Y60 | R3-Y62 HydrophobicContact CB-CD2 4.14Å; R3-Y62 HydrophobicContact CB-CE2 4.5Å; R3-Y62 HydrophobicContact CB-CG 4.34Å; R3-Y62 HydrophobicContact CG-CD2 4.24Å; R3-Y62 HydrophobicContact CG-CE2 4.1Å; R3-Y62 VanDerWaalsContact NH1-CE1 3.33Å; C5-Y62 WeakPolarHBondContact CA-O 3.13Å; S6-Y62 PolarHBondContact N-O 3.45Å; S6-Y62 PolarHBondContact OG-O 2.85Å; H26-Y62 CarbonylContact O-C 3.49Å; H26-Y62 VanDerWaalsContact O-CA 3.31Å; H26-Y62 WeakPolarHBondContact O-CA 3.3Å; R27-Y62 HydrophobicContact CB-CD1 4.1Å; R27-Y62 HydrophobicContact CB-CE1 3.9Å; R27-Y62 HydrophobicContact CG-CD1 4.48Å; R27-Y62 HydrophobicContact CG-CE1 4.09Å; Y60-Y62 VanDerWaalsContact O-CD2 3.31Å; Y60-Y62 WeakPolarHBondContact O-CD2 3.35Å; Y60-Y62 WeakPolarHBondContact O-CE2 3.49Å |
| 63 | F | 89.2 | Confident | 81 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.9 | 172.8 | -62.4 | -79 | 0 | 0 | 0 | 109.4 | A7 F25 H26 L28 W39 C43 W54 I61 F68 | A7-F63 HydrophobicContact CB-CD1 4.13Å; A7-F63 HydrophobicContact CB-CE1 4.34Å; F25-F63 WeakPolarHBondContact CA-O 3.44Å; H26-F63 PolarHBondContact N-O 2.94Å; H26-F63 PolarHBondContact O-N 3.21Å; L28-F63 HydrophobicContact CB-CE2 4.11Å; L28-F63 HydrophobicContact CD1-CE2 3.83Å; L28-F63 HydrophobicContact CG-CE2 4.41Å; W39-F63 AromaticContact CE3-CD2 3.45Å; W39-F63 HydrophobicContact CE3-CD2 3.45Å; W39-F63 VanDerWaalsContact CE3-CD2 3.45Å; W39-F63 AromaticContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CG 4.24Å; W39-F63 HydrophobicContact CZ3-CB 4.34Å; W39-F63 AromaticContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CE2 4.43Å; W39-F63 HydrophobicContact CZ3-CG 4.34Å; C43-F63 HydrophobicContact CB-CE1 3.83Å; C43-F63 HydrophobicContact CB-CZ 4.22Å; C43-F63 VanDerWaalsContact SG-CD1 3.5Å; C43-F63 WeakPolarHBondContact SG-CE1 3.46Å; C43-F63 WeakPolarHBondContact SG-CZ 3.48Å; W54-F63 HydrophobicContact CZ3-CZ 4.26Å; I61-F63 HydrophobicContact CG2-CE2 3.66Å; I61-F63 HydrophobicContact CG2-CZ 3.78Å; F63-F68 HydrophobicContact CB-CE2 3.87Å; F63-F68 HydrophobicContact CB-CZ 4.14Å |
| 64 | C | 89.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 154.9 | 176.2 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | C5 C10 T12 I23 S24 F25 K66 H67 | C5-C64 HydrophobicContact CB-CB 4.32Å; C5-C64 PolarHBondContact SG-N 2.99Å; C10-C64 VanDerWaalsContact SG-SG 3.66Å; T12-C64 HydrophobicContact CG2-CB 4.24Å; I23-C64 HydrophobicContact CG2-CB 3.77Å; S24-C64 CarbonylContact O-C 3.59Å; S24-C64 VanDerWaalsContact O-CA 3.28Å; S24-C64 WeakPolarHBondContact O-CA 3.47Å; F25-C64 HydrophobicContact CD1-CB 4.32Å; F25-C64 HydrophobicContact CE1-CB 4.05Å; F25-C64 HydrophobicContact CZ-CB 4.31Å; C64-K66 PolarHBondContact O-N 3.45Å; C64-H67 PolarHBondContact O-N 3.44Å; C64-H67 PolarHBondContact SG-CD2 3.26Å; C64-H67 PolarHBondContact SG-NE2 3.25Å |
| 65 | S | 87.9 | Confident | 81.9 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -55.2 | -25.7 | -178.9 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | I23 S24 H67 F68 | I23-S65 WeakPolarHBondContact CA-OG 2.92Å; S24-S65 PolarHBondContact N-OG 3.05Å; S24-S65 PolarHBondContact O-N 3.32Å; S24-S65 WeakPolarHBondContact OG-CB 3.28Å; S65-H67 PolarHBondContact O-N 2.89Å; S65-F68 PolarHBondContact O-N 3.01Å; S65-F68 VanDerWaalsContact O-O 3.08Å |
| 66 | K | 86.3 | Confident | 81.3 | Confident | 87 Ų | 87 | 64 Ų | 64 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -54.4 | -22.1 | 177 | -62.8 | -174 | 173.3 | -173.5 | 0 | 115.3 | C64 | C64-K66 PolarHBondContact O-N 3.45Š|
| 67 | H | 86.9 | Confident | 80.7 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -89.4 | -8.7 | -179.2 | -62.6 | -63.7 | 0 | 0 | 0 | 113 | C5 A7 C10 C64 S65 P90 T91 I92 F96 | C5-H67 PolarHBondContact SG-NE2 3.43Å; A7-H67 VanDerWaalsContact CB-NE2 3.27Å; A7-H67 WeakPolarHBondContact CB-NE2 3.07Å; C10-H67 PolarHBondContact SG-NE2 2.97Å; C10-H67 VanDerWaalsContact SG-NE2 3.38Å; C64-H67 PolarHBondContact O-N 3.44Å; C64-H67 PolarHBondContact SG-CD2 3.26Å; C64-H67 PolarHBondContact SG-NE2 3.25Å; S65-H67 PolarHBondContact O-N 2.89Å; H67-P90 HydrophobicContact CB-CB 3.82Å; H67-P90 CarbonylContact O-C 3.59Å; H67-P90 WeakPolarHBondContact O-CA 3.08Å; H67-P90 WeakPolarHBondContact O-CB 3.45Å; H67-T91 PolarHBondContact O-N 3.24Å; H67-T91 VanDerWaalsContact O-N 3.12Å; H67-I92 PolarHBondContact O-N 3.15Å; H67-I92 VanDerWaalsContact O-N 3.11Å; H67-F96 AromaticContact CE1-CE2 3.76Å |
| 68 | F | 87.1 | Confident | 80 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -111.4 | 141.9 | -178.7 | -57.5 | -89.4 | 0 | 0 | 0 | 109 | W39 F63 S65 C72 F73 L84 P90 I92 | W39-F68 HydrophobicContact CD2-CE1 4.27Å; W39-F68 HydrophobicContact CD2-CZ 4.18Å; W39-F68 AromaticContact CE2-CE1 3.63Å; W39-F68 AromaticContact CE2-CZ 3.89Å; W39-F68 HydrophobicContact CE3-CZ 4.03Å; W39-F68 AromaticContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE2 4.4Å; W39-F68 AromaticContact CH2-CZ 3.39Å; W39-F68 HydrophobicContact CH2-CZ 3.39Å; W39-F68 AromaticContact CZ2-CE1 3.37Å; W39-F68 HydrophobicContact CZ2-CE1 3.37Å; W39-F68 AromaticContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ3-CE1 4.36Å; W39-F68 AromaticContact CZ3-CZ 3.65Å; W39-F68 HydrophobicContact CZ3-CZ 3.65Å; F63-F68 HydrophobicContact CB-CE2 3.87Å; F63-F68 HydrophobicContact CB-CZ 4.14Å; S65-F68 PolarHBondContact O-N 3.01Å; S65-F68 VanDerWaalsContact O-O 3.08Å; F68-C72 HydrophobicContact CB-CB 4.31Å; F68-F73 HydrophobicContact CB-CE1 4.49Å; F68-F73 HydrophobicContact CB-CE2 3.87Å; F68-F73 HydrophobicContact CB-CZ 3.62Å; F68-F73 HydrophobicContact CD2-CZ 4.45Å; F68-F73 HydrophobicContact CG-CZ 4.31Å; F68-L84 HydrophobicContact CB-CD2 3.92Å; F68-L84 HydrophobicContact CD1-CD1 3.9Å; F68-L84 HydrophobicContact CD1-CD2 3.58Å; F68-L84 HydrophobicContact CD1-CG 4.42Å; F68-L84 HydrophobicContact CD2-CD1 4.21Å; F68-L84 HydrophobicContact CD2-CD2 4.21Å; F68-L84 HydrophobicContact CE1-CD1 3.59Å; F68-L84 HydrophobicContact CE1-CD2 4.14Å; F68-L84 HydrophobicContact CE2-CD1 3.93Å; F68-L84 HydrophobicContact CG-CD1 4.21Å; F68-L84 HydrophobicContact CG-CD2 3.62Å; F68-L84 HydrophobicContact CZ-CD1 3.61Å; F68-P90 HydrophobicContact CD1-CB 4.42Å; F68-P90 HydrophobicContact CE1-CB 4.08Å; F68-P90 HydrophobicContact CE1-CG 4.34Å; F68-P90 HydrophobicContact CZ-CB 4.21Å; F68-P90 HydrophobicContact CZ-CG 4.49Å; F68-I92 WeakPolarHBondContact O-CD1 3.38Å |
| 69 | E | 84.1 | Confident | 79.1 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 40% | 0.397 | 37% | 0.365 | S | S | . | . | trans | -62.5 | 149.3 | 168.9 | -75.7 | 165.2 | -148.1 | 0 | 0 | 111.4 | N71 C72 F73 T91 I92 | E69-N71 PolarHBondContact O-N 3.01Å; E69-N71 VanDerWaalsContact O-N 3.14Å; E69-C72 WeakPolarHBondContact O-CB 3.34Å; E69-C72 PolarHBondContact O-N 3.18Å; E69-F73 VanDerWaalsContact O-CD2 3.28Å; E69-F73 WeakPolarHBondContact O-CD2 2.81Å; E69-F73 VanDerWaalsContact O-CE2 3.22Å; E69-F73 WeakPolarHBondContact O-CE2 3.39Å; E69-T91 PolarHBondContact OE1-OG1 2.9Å; E69-I92 HydrophobicContact CG-CD1 4.14Å; E69-I92 HydrophobicContact CG-CG1 4.11Å | ||
| 70 | E | 80 | Confident | 78.3 | Confident | 176 Ų | 176 | 66.8 Ų | 66.8 | 82% | 0.822 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -59.7 | -28.3 | 178.5 | -61.7 | -176.2 | 173 | 0 | 0 | 111.7 | C72 F73 | E70-C72 VanDerWaalsContact C-N 3.26Å; E70-C72 PolarHBondContact O-N 3.22Å; E70-F73 WeakPolarHBondContact O-CD2 3.18Å; E70-F73 PolarHBondContact O-N 3.34Å |
| 71 | N | 81.1 | Confident | 77.4 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 66% | 0.663 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -72.5 | -16.3 | 176.4 | -64.4 | -20.8 | 0 | 0 | 0 | 114.2 | E69 F73 K85 | E69-N71 PolarHBondContact O-N 3.01Å; E69-N71 VanDerWaalsContact O-N 3.14Å; N71-F73 PolarHBondContact O-N 3.45Å; N71-K85 WeakPolarHBondContact O-CE 3.21Å; N71-K85 PolarHBondContact O-NZ 3.27Å |
| 72 | C | 82.8 | Confident | 76.7 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 14% | 0.135 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -80 | -1.1 | 176.9 | -75.5 | 0 | 0 | 0 | 0 | 112.8 | F68 E69 E70 L84 K85 A88 | F68-C72 HydrophobicContact CB-CB 4.31Å; E69-C72 WeakPolarHBondContact O-CB 3.34Å; E69-C72 PolarHBondContact O-N 3.18Å; E70-C72 VanDerWaalsContact C-N 3.26Å; E70-C72 PolarHBondContact O-N 3.22Å; C72-L84 HydrophobicContact CB-CD2 4.22Å; C72-L84 WeakPolarHBondContact O-CA 3.37Å; C72-K85 WeakPolarHBondContact O-CG 3.38Å; C72-K85 PolarHBondContact O-N 3Å; C72-A88 HydrophobicContact CB-CB 3.58Å; C72-A88 WeakPolarHBondContact O-CB 3.44Å |
| 73 | F | 83.8 | Confident | 76.3 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 13% | 0.132 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137.4 | 177.6 | -58.5 | -81.3 | 0 | 0 | 0 | 111.4 | H26 F68 E69 E70 N71 H82 R83 L84 | H26-F73 AromaticContact CE1-CE1 3.95Å; H26-F73 AromaticContact NE2-CE1 3.49Å; H26-F73 WeakPolarHBondContact NE2-CE1 3.43Å; F68-F73 HydrophobicContact CB-CE1 4.49Å; F68-F73 HydrophobicContact CB-CE2 3.87Å; F68-F73 HydrophobicContact CB-CZ 3.62Å; F68-F73 HydrophobicContact CD2-CZ 4.45Å; F68-F73 HydrophobicContact CG-CZ 4.31Å; E69-F73 VanDerWaalsContact O-CD2 3.28Å; E69-F73 WeakPolarHBondContact O-CD2 2.81Å; E69-F73 VanDerWaalsContact O-CE2 3.22Å; E69-F73 WeakPolarHBondContact O-CE2 3.39Å; E70-F73 WeakPolarHBondContact O-CD2 3.18Å; E70-F73 PolarHBondContact O-N 3.34Å; N71-F73 PolarHBondContact O-N 3.45Å; F73-H82 HydrophobicContact CB-CB 4.05Å; F73-H82 HydrophobicContact CD1-CB 3.79Å; F73-H82 HydrophobicContact CG-CB 4.14Å; F73-R83 CarbonylContact C-O 3.6Å; F73-R83 VanDerWaalsContact CA-O 3.29Å; F73-R83 WeakPolarHBondContact CA-O 2.98Å; F73-L84 HydrophobicContact CD1-CD2 3.61Å; F73-L84 HydrophobicContact CD1-CG 4.19Å; F73-L84 HydrophobicContact CE1-CD2 3.32Å; F73-L84 HydrophobicContact CE1-CG 3.97Å; F73-L84 HydrophobicContact CG-CD2 4.34Å; F73-L84 HydrophobicContact CZ-CD2 3.85Å |
| 74 | E | 81.4 | Confident | 76.1 | Confident | 88 Ų | 88 | 78.7 Ų | 78.7 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131 | 166.2 | -87.6 | 158.4 | -159.5 | 0 | 0 | 108.3 | V76 R83 K85 | E74-V76 HydrophobicContact CB-CG2 4.24Å; E74-V76 PolarHBondContact O-N 3.48Å; E74-R83 PolarHBondContact N-O 3.4Å; E74-R83 PolarHBondContact O-N 2.92Å; E74-K85 HydrophobicContact CB-CG 4.45Å; E74-K85 VanDerWaalsContact CD-CG 3.48Å; E74-K85 HydrophobicContact CG-CD 4.05Å; E74-K85 VanDerWaalsContact CG-CE 3.44Å; E74-K85 HydrophobicContact CG-CG 3.7Å; E74-K85 WeakPolarHBondContact OE1-CD 3.46Å; E74-K85 VanDerWaalsContact OE1-CE 3.24Å; E74-K85 WeakPolarHBondContact OE1-CE 3.41Å; E74-K85 WeakPolarHBondContact OE1-CG 3.37Å |
| 75 | L | 72 | Confident | 75.9 | Confident | 126 Ų | 126 | 82.4 Ų | 82.4 | 66% | 0.66 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 110.3 | 164.6 | -87.3 | 83.8 | 0 | 0 | 0 | 107.6 | ||
| 76 | V | 61.9 | Low | 75.1 | Confident | 64 Ų | 64 | 90.1 Ų | 90.1 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 110.7 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | E74 Y81 R83 | E74-V76 HydrophobicContact CB-CG2 4.24Å; E74-V76 PolarHBondContact O-N 3.48Å; V76-Y81 PolarHBondContact N-O 2.93Å; V76-R83 HydrophobicContact CB-CG 4.26Å; V76-R83 HydrophobicContact CG2-CB 4.02Å; V76-R83 HydrophobicContact CG2-CG 4.15Å |
| 77 | G | 60.9 | Low | 74.5 | Confident | 61 Ų | 61 | 88.8 Ų | 88.8 | 63% | 0.629 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -174.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S79 | G77-S79 PolarHBondContact O-N 2.88Š|
| 78 | I | 54.5 | Low | 74.2 | Confident | 187 Ų | 187 | 88.4 Ų | 88.4 | 96% | 0.959 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.1 | -177.3 | -39.8 | 171.6 | 0 | 0 | 0 | 111.9 | ||
| 79 | S | 57.8 | Low | 73.9 | Confident | 78 Ų | 78 | 89.2 Ų | 89.2 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -4.5 | -171.4 | -169.8 | 0 | 0 | 0 | 0 | 114.5 | G77 Y81 | G77-S79 PolarHBondContact O-N 2.88Å; S79-Y81 PolarHBondContact O-N 3.47Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.38Å; S79-Y81 WeakPolarHBondContact OG-CE2 3.27Å |
| 80 | G | 59.3 | Low | 73.8 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 46% | 0.464 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 18.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 81 | Y | 63.2 | Low | 73.6 | Confident | 169 Ų | 169 | 79.3 Ų | 79.3 | 66% | 0.663 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.9 | 176.5 | -74.4 | -70.8 | 0 | 0 | 0 | 110.8 | V76 S79 R83 | V76-Y81 PolarHBondContact N-O 2.93Å; S79-Y81 PolarHBondContact O-N 3.47Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.38Å; S79-Y81 WeakPolarHBondContact OG-CE2 3.27Å; Y81-R83 PolarHBondContact O-N 3.13Å |
| 82 | H | 73.3 | Confident | 73.2 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 43% | 0.431 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 114.1 | 171.9 | -61.1 | 148.3 | 0 | 0 | 0 | 110.2 | H26 F73 | H26-H82 PolarHBondContact CE1-O 3.46Å; F73-H82 HydrophobicContact CB-CB 4.05Å; F73-H82 HydrophobicContact CD1-CB 3.79Å; F73-H82 HydrophobicContact CG-CB 4.14Å |
| 83 | R | 80.5 | Confident | 72.5 | Confident | 158 Ų | 158 | 79.6 Ų | 79.6 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 149.8 | 168.7 | -64.9 | -177.1 | 78 | -172.6 | 2.3 | 108.9 | F73 E74 V76 Y81 | F73-R83 CarbonylContact C-O 3.6Å; F73-R83 VanDerWaalsContact CA-O 3.29Å; F73-R83 WeakPolarHBondContact CA-O 2.98Å; E74-R83 PolarHBondContact N-O 3.4Å; E74-R83 PolarHBondContact O-N 2.92Å; V76-R83 HydrophobicContact CB-CG 4.26Å; V76-R83 HydrophobicContact CG2-CB 4.02Å; V76-R83 HydrophobicContact CG2-CG 4.15Å; Y81-R83 PolarHBondContact O-N 3.13Å |
| 84 | L | 84.8 | Confident | 71.4 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 134.6 | 177.6 | -73.6 | 169.5 | 0 | 0 | 0 | 110.1 | H26 W39 F68 C72 F73 A88 | H26-L84 HydrophobicContact CB-CD1 3.52Å; W39-L84 HydrophobicContact CH2-CD1 3.42Å; W39-L84 VanDerWaalsContact CH2-CD1 3.42Å; W39-L84 HydrophobicContact CZ2-CD1 3.53Å; F68-L84 HydrophobicContact CB-CD2 3.92Å; F68-L84 HydrophobicContact CD1-CD1 3.9Å; F68-L84 HydrophobicContact CD1-CD2 3.58Å; F68-L84 HydrophobicContact CD1-CG 4.42Å; F68-L84 HydrophobicContact CD2-CD1 4.21Å; F68-L84 HydrophobicContact CD2-CD2 4.21Å; F68-L84 HydrophobicContact CE1-CD1 3.59Å; F68-L84 HydrophobicContact CE1-CD2 4.14Å; F68-L84 HydrophobicContact CE2-CD1 3.93Å; F68-L84 HydrophobicContact CG-CD1 4.21Å; F68-L84 HydrophobicContact CG-CD2 3.62Å; F68-L84 HydrophobicContact CZ-CD1 3.61Å; C72-L84 HydrophobicContact CB-CD2 4.22Å; C72-L84 WeakPolarHBondContact O-CA 3.37Å; F73-L84 HydrophobicContact CD1-CD2 3.61Å; F73-L84 HydrophobicContact CD1-CG 4.19Å; F73-L84 HydrophobicContact CE1-CD2 3.32Å; F73-L84 HydrophobicContact CE1-CG 3.97Å; F73-L84 HydrophobicContact CG-CD2 4.34Å; F73-L84 HydrophobicContact CZ-CD2 3.85Å; L84-A88 HydrophobicContact CB-CB 3.87Å; L84-A88 HydrophobicContact CD2-CB 3.91Å; L84-A88 HydrophobicContact CG-CB 4.43Å |
| 85 | K | 83.5 | Confident | 69.9 | Low | 77 Ų | 77 | 83.2 Ų | 83.2 | 34% | 0.335 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 160.5 | 179.4 | -56.6 | -163.4 | 166.2 | 154.1 | 0 | 113.6 | R35 N71 C72 E74 G87 A88 | R35-K85 PolarHBondContact NH1-O 3.15Å; R35-K85 PolarHBondContact NH2-O 3.04Å; N71-K85 WeakPolarHBondContact O-CE 3.21Å; N71-K85 PolarHBondContact O-NZ 3.27Å; C72-K85 WeakPolarHBondContact O-CG 3.38Å; C72-K85 PolarHBondContact O-N 3Å; E74-K85 HydrophobicContact CB-CG 4.45Å; E74-K85 VanDerWaalsContact CD-CG 3.48Å; E74-K85 HydrophobicContact CG-CD 4.05Å; E74-K85 VanDerWaalsContact CG-CE 3.44Å; E74-K85 HydrophobicContact CG-CG 3.7Å; E74-K85 WeakPolarHBondContact OE1-CD 3.46Å; E74-K85 VanDerWaalsContact OE1-CE 3.24Å; E74-K85 WeakPolarHBondContact OE1-CE 3.41Å; E74-K85 WeakPolarHBondContact OE1-CG 3.37Å; K85-G87 PolarHBondContact O-N 3.17Å; K85-A88 HydrophobicContact CB-CB 4.21Å; K85-A88 WeakPolarHBondContact O-CB 2.89Å; K85-A88 PolarHBondContact O-N 2.93Å |
| 86 | E | 72 | Confident | 69 | Low | 181 Ų | 181 | 80.3 Ų | 80.3 | 85% | 0.846 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -16 | -47.9 | 151.7 | 31.6 | 165.5 | 125.7 | 0 | 0 | 119.1 | R35 | R35-E86 PolarHBondContact NE-O 3.34Å; R35-E86 VanDerWaalsContact NH2-CA 3.27Å; R35-E86 PolarHBondContact NH2-O 3.17Å |
| 87 | G | 72.9 | Confident | 68.4 | Low | 59 Ų | 59 | 80.7 Ų | 80.7 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 3.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K85 V89 | K85-G87 PolarHBondContact O-N 3.17Å; G87-V89 PolarHBondContact O-N 3.24Å |
| 88 | A | 81.3 | Confident | 67.6 | Low | 2 Ų | 2 | 85.1 Ų | 85.1 | 2% | 0.017 | 44% | 0.443 | C | S | . | . | trans | -68.4 | 115.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R35 W39 C72 L84 K85 | R35-A88 WeakPolarHBondContact CD-O 3.4Å; W39-A88 PolarHBondContact NE1-O 2.98Å; C72-A88 HydrophobicContact CB-CB 3.58Å; C72-A88 WeakPolarHBondContact O-CB 3.44Å; L84-A88 HydrophobicContact CB-CB 3.87Å; L84-A88 HydrophobicContact CD2-CB 3.91Å; L84-A88 HydrophobicContact CG-CB 4.43Å; K85-A88 HydrophobicContact CB-CB 4.21Å; K85-A88 WeakPolarHBondContact O-CB 2.89Å; K85-A88 PolarHBondContact O-N 2.93Å | ||
| 89 | V | 82 | Confident | 67.3 | Low | 20 Ų | 20 | 84 Ų | 84 | 12% | 0.121 | 44% | 0.439 | C | S | . | . | trans | -122.4 | 151.3 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | R35 L38 G87 T91 | R35-V89 HydrophobicContact CG-CG1 3.7Å; L38-V89 HydrophobicContact CB-CG1 4.08Å; L38-V89 HydrophobicContact CD2-CB 4.06Å; L38-V89 HydrophobicContact CD2-CG1 3.36Å; L38-V89 HydrophobicContact CD2-CG2 4.04Å; L38-V89 HydrophobicContact CG-CB 4.04Å; L38-V89 HydrophobicContact CG-CG1 3.62Å; L38-V89 HydrophobicContact CG-CG2 4.32Å; G87-V89 PolarHBondContact O-N 3.24Å; V89-T91 HydrophobicContact CG2-CG2 3.84Å; V89-T91 PolarHBondContact O-N 2.94Å | ||
| 90 | P | 81.2 | Confident | 66.7 | Low | 3 Ų | 3 | 90.9 Ų | 90.9 | 2% | 0.019 | 45% | 0.453 | C | S | . | . | trans | -71 | 104 | 178.5 | 25.8 | -29 | 0 | 0 | 0 | 108.7 | W39 N42 H67 F68 | W39-P90 HydrophobicContact CB-CG 4.38Å; W39-P90 VanDerWaalsContact CD1-CD 3.41Å; W39-P90 HydrophobicContact CG-CG 4.2Å; N42-P90 HydrophobicContact CB-CG 3.93Å; N42-P90 WeakPolarHBondContact CB-O 3.21Å; N42-P90 PolarHBondContact ND2-O 2.9Å; H67-P90 HydrophobicContact CB-CB 3.82Å; H67-P90 CarbonylContact O-C 3.59Å; H67-P90 WeakPolarHBondContact O-CA 3.08Å; H67-P90 WeakPolarHBondContact O-CB 3.45Å; F68-P90 HydrophobicContact CD1-CB 4.42Å; F68-P90 HydrophobicContact CE1-CB 4.08Å; F68-P90 HydrophobicContact CE1-CG 4.34Å; F68-P90 HydrophobicContact CZ-CB 4.21Å; F68-P90 HydrophobicContact CZ-CG 4.49Å | ||
| 91 | T | 76.3 | Confident | 66 | Low | 51 Ų | 51 | 99 Ų | 99 | 31% | 0.313 | 47% | 0.469 | S | S | . | . | trans | -100.4 | -17.4 | 179.3 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | H67 E69 V89 F93 | H67-T91 PolarHBondContact O-N 3.24Å; H67-T91 VanDerWaalsContact O-N 3.12Å; E69-T91 PolarHBondContact OE1-OG1 2.9Å; V89-T91 HydrophobicContact CG2-CG2 3.84Å; V89-T91 PolarHBondContact O-N 2.94Å; T91-F93 WeakPolarHBondContact O-CD2 3.46Å; T91-F93 PolarHBondContact O-N 3.24Å | ||
| 92 | I | 72.9 | Confident | 65.1 | Low | 57 Ų | 57 | 98.2 Ų | 98.2 | 29% | 0.292 | 48% | 0.475 | S | S | . | . | trans | -86.5 | 98.7 | -176.1 | -54.8 | -179.6 | 0 | 0 | 0 | 109.9 | H67 F68 E69 E94 | H67-I92 PolarHBondContact O-N 3.15Å; H67-I92 VanDerWaalsContact O-N 3.11Å; F68-I92 WeakPolarHBondContact O-CD1 3.38Å; E69-I92 HydrophobicContact CG-CD1 4.14Å; E69-I92 HydrophobicContact CG-CG1 4.11Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 HydrophobicContact CG2-CB 4.2Å; I92-E94 PolarHBondContact O-N 2.73Å | ||
| 93 | F | 66.4 | Low | 63.7 | Low | 93 Ų | 93 | 98.8 Ų | 98.8 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | trans | -93.4 | 59.3 | 171.5 | -48.9 | -53.7 | 0 | 0 | 0 | 110.8 | N42 Q44 T91 S95 | N42-F93 HydrophobicContact CB-CE1 3.73Å; N42-F93 HydrophobicContact CB-CZ 3.68Å; N42-F93 WeakPolarHBondContact O-CD1 3.04Å; N42-F93 WeakPolarHBondContact O-CE1 3.28Å; Q44-F93 VanDerWaalsContact NE2-CD1 3.32Å; T91-F93 WeakPolarHBondContact O-CD2 3.46Å; T91-F93 PolarHBondContact O-N 3.24Å; F93-S95 PolarHBondContact O-N 3.11Å | ||
| 94 | E | 61.4 | Low | 62.2 | Low | 119 Ų | 119 | 100.7 Ų | 100.7 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | trans | -60.3 | 119.2 | 171.7 | -161.3 | 156.4 | -136.1 | 0 | 0 | 107.6 | I92 F96 | I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 HydrophobicContact CG2-CB 4.2Å; I92-E94 PolarHBondContact O-N 2.73Å; E94-F96 HydrophobicContact CB-CD2 4.49Å; E94-F96 HydrophobicContact CB-CE1 4.42Å; E94-F96 HydrophobicContact CB-CE2 3.73Å; E94-F96 HydrophobicContact CB-CZ 3.68Å; E94-F96 HydrophobicContact CG-CE1 4.34Å; E94-F96 HydrophobicContact CG-CE2 4.49Å; E94-F96 HydrophobicContact CG-CZ 4Å; E94-F96 WeakPolarHBondContact O-CD2 3.31Å; E94-F96 VanDerWaalsContact O-CE2 3.28Å; E94-F96 WeakPolarHBondContact O-CE2 3.46Å; E94-F96 WeakPolarHBondContact O-CG 3.44Å; E94-F96 PolarHBondContact O-N 3.12Å | ||
| 95 | S | 49.1 | Very low | 60 | Low | 75 Ų | 75 | 106.2 Ų | 106.2 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | trans | -72.2 | 71.7 | -161.9 | -48.3 | 0 | 0 | 0 | 0 | 112.5 | F93 S97 K98 | F93-S95 PolarHBondContact O-N 3.11Å; S95-S97 PolarHBondContact O-N 3.01Å; S95-K98 PolarHBondContact O-N 2.99Å | ||
| 96 | F | 53.9 | Low | 57.6 | Low | 65 Ų | 65 | 112.8 Ų | 112.8 | 29% | 0.285 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -65.8 | -6.9 | 177.2 | -57.5 | -67.8 | 0 | 0 | 0 | 112.8 | G9 H67 E94 K98 | G9-F96 WeakPolarHBondContact O-CB 3.15Å; H67-F96 AromaticContact CE1-CE2 3.76Å; E94-F96 HydrophobicContact CB-CD2 4.49Å; E94-F96 HydrophobicContact CB-CE1 4.42Å; E94-F96 HydrophobicContact CB-CE2 3.73Å; E94-F96 HydrophobicContact CB-CZ 3.68Å; E94-F96 HydrophobicContact CG-CE1 4.34Å; E94-F96 HydrophobicContact CG-CE2 4.49Å; E94-F96 HydrophobicContact CG-CZ 4Å; E94-F96 WeakPolarHBondContact O-CD2 3.31Å; E94-F96 VanDerWaalsContact O-CE2 3.28Å; E94-F96 WeakPolarHBondContact O-CE2 3.46Å; E94-F96 WeakPolarHBondContact O-CG 3.44Å; E94-F96 PolarHBondContact O-N 3.12Å; F96-K98 PolarHBondContact O-N 3.2Å |
| 97 | S | 48.4 | Very low | 55.7 | Low | 72 Ų | 72 | 107.9 Ų | 107.9 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -63 | -22.6 | 173.2 | -51.3 | 0 | 0 | 0 | 0 | 114 | S95 L99 | S95-S97 PolarHBondContact O-N 3.01Å; S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 3.02Å |
| 98 | K | 44.3 | Very low | 53.8 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -76.6 | -15.2 | -175.3 | -67.8 | -176.7 | -177.6 | 175.9 | 0 | 114.3 | S95 F96 R100 | S95-K98 PolarHBondContact O-N 2.99Å; F96-K98 PolarHBondContact O-N 3.2Å; K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.82Å |
| 99 | L | 48.6 | Very low | 51.6 | Low | 165 Ų | 165 | 117.6 Ų | 117.6 | 86% | 0.864 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -80.5 | -7 | -178.4 | -118.6 | 74.6 | 0 | 0 | 0 | 114.9 | S97 | S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 3.02Å |
| 100 | R | 46.1 | Very low | 49.2 | Very low | 222 Ų | 222 | 127 Ų | 127 | 84% | 0.838 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -92.6 | -10.9 | -179.8 | -71.1 | -157.4 | -170.4 | -149.3 | 7.1 | 115.3 | K98 | K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.82Å |
| 101 | R | 44.2 | Very low | 47.5 | Very low | 214 Ų | 214 | 132 Ų | 132 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -104.5 | -4.1 | -167 | -113.7 | -175.4 | -73 | 164.8 | -4.7 | 117.1 | ||
| 102 | I | 43.2 | Very low | 46.4 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -90 | -5.8 | -174.9 | -57.3 | 172.3 | 0 | 0 | 0 | 113.2 | ||
| 103 | T | 45.7 | Very low | 44.2 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -122 | 72.7 | -180 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 104 | K | 47.3 | Very low | 43.4 | Very low | 198 Ų | 198 | 137.8 Ų | 137.8 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | 175.7 | 79.2 | 155.2 | -100 | 170 | -178.1 | -167.1 | 0 | 110.6 | ||||
| 105 | T | 38.8 | Very low | 42 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -160.2 | 89.6 | 155.2 | 45.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 106 | K | 33.4 | Very low | 41.2 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 94% | 0.935 | 76% | 0.756 | S | S | * | * | trans | 178.6 | 107 | 147.5 | -121 | -179.7 | 175.3 | 179.3 | 0 | 103.5 | ||||
| 107 | G | 33.4 | Very low | 40.2 | Very low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | 109.5 | 79.1 | 33.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 108 | H | 33.1 | Very low | 39.9 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -155.9 | 126.5 | 154.3 | -149.8 | -62.7 | 0 | 0 | 0 | 110.2 | ||||
| 109 | S | 33.9 | Very low | 39.3 | Very low | 85 Ų | 85 | 149.4 Ų | 149.4 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | trans | -58.6 | 152.9 | 173.7 | 39.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 110 | Y | 32.4 | Very low | 39 | Very low | 216 Ų | 216 | 150.5 Ų | 150.5 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | -167.5 | -170.8 | 51.7 | -121.9 | -65.2 | 0 | 0 | 0 | 110.5 | |||||
| 111 | P | 43.9 | Very low | 38.4 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | -114.6 | -153.4 | -121.9 | 50.2 | -33.3 | 0 | 0 | 0 | 115.8 | |||||
| 112 | P | 54.2 | Low | 38.3 | Very low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | -111.1 | 161.1 | -114.2 | 35.3 | -15.2 | 0 | 0 | 0 | 115.9 | |||||
| 113 | G | 27.3 | Very low | 38 | Very low | 70 Ų | 70 | 150 Ų | 150 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -153.1 | 144.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 114 | P | 48.3 | Very low | 37.9 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -94.9 | 178.2 | -167.5 | 38.4 | -34 | 0 | 0 | 0 | 112.8 | ||||
| 115 | S | 32.7 | Very low | 37.4 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 103.3 | 99.1 | 169 | 66.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 116 | E | 32.5 | Very low | 37.4 | Very low | 181 Ų | 181 | 159.7 Ų | 159.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | 64.8 | 144 | 114.3 | -132.2 | -152.2 | 166.7 | 0 | 0 | 122.3 | |||||
| 117 | V | 31.7 | Very low | 37.4 | Very low | 104 Ų | 104 | 154 Ų | 154 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | trans | 82.1 | 106.5 | 157.7 | -157.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 118 | S | 42.1 | Very low | 37.7 | Very low | 99 Ų | 99 | 155.8 Ų | 155.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | 37.3 | 122.1 | 137.4 | -51.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 119 | R | 33.4 | Very low | 38.2 | Very low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -170 | 108.6 | 134 | -104.5 | 165.1 | -118.5 | -140.6 | 6.6 | 111.7 | R121 | R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.29Å | ||
| 120 | L | 41 | Very low | 38.1 | Very low | 187 Ų | 187 | 155.9 Ų | 155.9 | 98% | 0.979 | 81% | 0.807 | S | S | * | * | trans | -55.1 | 92 | 158.1 | -80.5 | 160.1 | 0 | 0 | 0 | 109.4 | R122 | L120-R122 PolarHBondContact O-N 3.48Š| ||
| 121 | R | 34 | Very low | 38.4 | Very low | 229 Ų | 229 | 156.7 Ų | 156.7 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -81.1 | 102.9 | 171.8 | -88.5 | -170.8 | 173.4 | -129.4 | 2.4 | 109.9 | R119 C123 | R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.29Å; R121-C123 PolarHBondContact O-N 3.38Å | ||
| 122 | R | 42.7 | Very low | 37.9 | Very low | 240 Ų | 240 | 154.3 Ų | 154.3 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -40.9 | 103.9 | 159.2 | -174.1 | 176.3 | -71.2 | 179 | -2.5 | 110.2 | L120 R124 | L120-R122 PolarHBondContact O-N 3.48Å; R122-R124 PolarHBondContact O-N 3.5Å | ||
| 123 | C | 35.8 | Very low | 37.2 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | trans | -74 | 90 | 179.5 | -164.6 | 0 | 0 | 0 | 0 | 109.8 | R121 K125 | R121-C123 PolarHBondContact O-N 3.38Å; C123-K125 PolarHBondContact O-N 3.41Å | ||
| 124 | R | 43.9 | Very low | 37.5 | Very low | 249 Ų | 249 | 157 Ų | 157 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | trans | -85 | 83.9 | 167.4 | -155.5 | -179.1 | -168.6 | -177.4 | 3.6 | 106.9 | R122 | R122-R124 PolarHBondContact O-N 3.5Š| ||
| 125 | K | 37.1 | Very low | 37.3 | Very low | 164 Ų | 164 | 157 Ų | 157 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -115.6 | 117.4 | 173.1 | -125.2 | 176.7 | -178.2 | -176.9 | 0 | 109.8 | C123 C127 | C123-K125 PolarHBondContact O-N 3.41Å; K125-C127 PolarHBondContact O-N 3.45Å | ||
| 126 | R | 39 | Very low | 37.8 | Very low | 238 Ų | 238 | 157.2 Ų | 157.2 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -61.7 | 114.1 | 170.3 | 176.1 | -178.8 | -70.3 | -103.7 | 2 | 107.3 | S128 | R126-S128 PolarHBondContact O-N 3.2Š| ||
| 127 | C | 33 | Very low | 37.8 | Very low | 97 Ų | 97 | 158.2 Ų | 158.2 | 66% | 0.655 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 115.4 | 170.3 | -67.4 | 0 | 0 | 0 | 0 | 107.9 | K125 | K125-C127 PolarHBondContact O-N 3.45Š| ||
| 128 | S | 39.2 | Very low | 38.1 | Very low | 115 Ų | 115 | 158.6 Ų | 158.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -61.8 | 137.1 | 165.6 | 36.7 | 0 | 0 | 0 | 0 | 110.2 | R126 | R126-S128 PolarHBondContact O-N 3.2Š| ||
| 129 | E | 43.1 | Very low | 38.5 | Very low | 191 Ų | 191 | 159.6 Ų | 159.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -66.7 | 133.4 | 178.1 | -62.2 | -179.2 | 134.6 | 0 | 0 | 110.6 | ||||
| 130 | G | 32 | Very low | 39.3 | Very low | 76 Ų | 76 | 154.2 Ų | 154.2 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -113.4 | 122.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 131 | R | 39.2 | Very low | 39.5 | Very low | 234 Ų | 234 | 150.9 Ų | 150.9 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -46 | 142 | 173.1 | -83.5 | 170.4 | 161.7 | -110.1 | 0.6 | 112.9 | ||||
| 132 | G | 33.8 | Very low | 39.8 | Very low | 59 Ų | 59 | 146.1 Ų | 146.1 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 161.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 133 | P | 40.2 | Very low | 39.7 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 140 | -178 | 21.8 | -22.8 | 0 | 0 | 0 | 112 | ||
| 134 | T | 32.8 | Very low | 39.9 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 122.9 | -179.9 | -49 | 0 | 0 | 0 | 0 | 108.8 | ||
| 135 | T | 43.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 145.5 | 164 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 136 | P | 45 | Very low | 39.7 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 129.5 | -177.4 | 31 | -29.4 | 0 | 0 | 0 | 112.5 | ||
| 137 | F | 31.7 | Very low | 39.3 | Very low | 202 Ų | 202 | 128.3 Ų | 128.3 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | 13.5 | 129.1 | 154.2 | -73.6 | -89.9 | 0 | 0 | 0 | 121.2 | ||||
| 138 | S | 38.6 | Very low | 39.2 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -134.5 | 140.8 | 143 | -61.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 139 | P | 50 | Low | 39.1 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 157 | -172.6 | 32.7 | -33.3 | 0 | 0 | 0 | 112.6 | ||
| 140 | P | 49.8 | Very low | 38.6 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 151.5 | 179.4 | 34.9 | -32.9 | 0 | 0 | 0 | 112.4 | ||
| 141 | P | 45.1 | Very low | 38.9 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 158 | 163.6 | 33.3 | -31.5 | 0 | 0 | 0 | 111.3 | ||
| 142 | P | 41.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 151.9 | -169.6 | 31 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 143 | A | 39.8 | Very low | 38.3 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 123.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 144 | D | 40.1 | Very low | 37.9 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -159.4 | 108.7 | 152 | -91.2 | -32.6 | 0 | 0 | 0 | 106.5 | ||||
| 145 | V | 35.3 | Very low | 37.8 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -169.8 | 98.5 | 135.9 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 146 | T | 40.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -58.1 | 128.1 | 151.5 | 14.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 147 | C | 31.7 | Very low | 37.2 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -156.4 | 88.7 | 151.1 | -97.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 148 | F | 31.8 | Very low | 37 | Very low | 178 Ų | 178 | 124.1 Ų | 124.1 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -63.1 | 154.6 | 143.5 | -85.8 | -86.3 | 0 | 0 | 0 | 108.6 | V150 | F148-V150 HydrophobicContact CD1-CG2 3.71Å; F148-V150 HydrophobicContact CE1-CG2 4.21Å; F148-V150 HydrophobicContact CG-CG2 4.38Å | ||
| 149 | P | 36.8 | Very low | 36.9 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | -117.2 | 128.2 | 117.3 | -6 | 24.8 | 0 | 0 | 0 | 111.4 | |||||
| 150 | V | 32.3 | Very low | 36.4 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | trans | -98.7 | 156 | 161.5 | 164.3 | 0 | 0 | 0 | 0 | 107.7 | F148 | F148-V150 HydrophobicContact CD1-CG2 3.71Å; F148-V150 HydrophobicContact CE1-CG2 4.21Å; F148-V150 HydrophobicContact CG-CG2 4.38Å | ||
| 151 | E | 36.8 | Very low | 35.5 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | 103.4 | 109.4 | 168.3 | -67.3 | -147.1 | 90.7 | 0 | 0 | 116.4 | ||||
| 152 | E | 31.1 | Very low | 35 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | 81.2 | 134.6 | 62.9 | -167.6 | 165.7 | 148.4 | 0 | 0 | 109.4 | |||||
| 153 | A | 31.1 | Very low | 35 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | cis | -157.1 | 166.5 | 3.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 154 | S | 30.1 | Very low | 34.9 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 135.9 | 109.5 | 136.7 | -68.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 155 | A | 31.2 | Very low | 34.4 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -75.2 | 166.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | P | 43.8 | Very low | 34.6 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -142.3 | 174.1 | 82.3 | 31.4 | -11 | 0 | 0 | 0 | 115.7 | |||||
| 157 | A | 31.3 | Very low | 34.2 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -49.7 | 163.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 158 | T | 28.8 | Very low | 34.5 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | 176.8 | 136.5 | 104.6 | -50.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 159 | L | 36.4 | Very low | 35 | Very low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -73 | 169.9 | 169.3 | -56.7 | 167.8 | 0 | 0 | 0 | 110.4 | ||||
| 160 | P | 40.2 | Very low | 34.9 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | -150.1 | 155.2 | 74.2 | 33 | -10 | 0 | 0 | 0 | 117.3 | |||||
| 161 | A | 30.1 | Very low | 35 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 26.1 | 140.1 | 138.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 162 | S | 33.8 | Very low | 34.9 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -45.8 | 169.5 | 166.1 | -48 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 163 | P | 41.8 | Very low | 35.1 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -135.1 | 154.1 | 109.3 | 35.6 | -24.4 | 0 | 0 | 0 | 114.5 | |||||
| 164 | A | 37.9 | Very low | 35.7 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 141.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 165 | G | 29.4 | Very low | 35.6 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -154.8 | 98 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 166 | R | 39.4 | Very low | 35.9 | Very low | 235 Ų | 235 | 130.2 Ų | 130.2 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -66.7 | 129.5 | 169.7 | 166.4 | -168.9 | -126.7 | -116 | -0.6 | 110.5 | ||||
| 167 | L | 32.1 | Very low | 35.6 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -159.3 | 119 | 149.2 | -75.2 | -174.9 | 0 | 0 | 0 | 110.7 | ||||
| 168 | E | 38.3 | Very low | 35.9 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -65 | 149.9 | 150.3 | -75.6 | -76.6 | 127.2 | 0 | 0 | 108.2 | ||||
| 169 | P | 41.6 | Very low | 36.4 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | -151.5 | 146.4 | 90 | 29.8 | -8.2 | 0 | 0 | 0 | 115.8 | |||||
| 170 | G | 36.4 | Very low | 36.4 | Very low | 61 Ų | 61 | 131 Ų | 131 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | -70.8 | 146 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 171 | L | 33.3 | Very low | 36.3 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -154.6 | 113.4 | 152.7 | -79.2 | -173.1 | 0 | 0 | 0 | 110 | ||||
| 172 | S | 34.8 | Very low | 36.5 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | 43.1 | 102.3 | 137.3 | 58.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 173 | S | 35 | Very low | 36.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -89.2 | 123.8 | 152.7 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 174 | P | 43.2 | Very low | 36.1 | Very low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | trans | -91.8 | 162.6 | 168.2 | 34.8 | -27.7 | 0 | 0 | 0 | 110.6 | ||||
| 175 | F | 29.6 | Very low | 35.8 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 88.4 | 65.7 | 173.7 | -114.6 | -91.7 | 0 | 0 | 0 | 117.1 | ||||
| 176 | S | 37.2 | Very low | 36.1 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -91.7 | 118.4 | 139.4 | -73 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 177 | D | 37.8 | Very low | 36 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -166.5 | 144.7 | 139.5 | -102.4 | -26.5 | 0 | 0 | 0 | 110.9 | ||||
| 178 | L | 36.8 | Very low | 36.4 | Very low | 152 Ų | 152 | 134 Ų | 134 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | trans | 101.2 | 96.2 | 163.8 | -55 | -173.6 | 0 | 0 | 0 | 118.8 | ||||
| 179 | L | 40.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | 113.9 | 86.4 | 133.2 | -59.7 | 167 | 0 | 0 | 0 | 118.6 | ||||
| 180 | G | 36.4 | Very low | 35.8 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | 64.9 | 117.8 | 107.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 181 | P | 37.6 | Very low | 35.5 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 125 | 168 | 11.2 | 6.7 | 0 | 0 | 0 | 112 | ||
| 182 | L | 34.3 | Very low | 35.5 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 121.3 | 165.7 | -88.6 | 164.5 | 0 | 0 | 0 | 109.9 | ||
| 183 | G | 32.4 | Very low | 35.4 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 148 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 184 | A | 33.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 125 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 185 | Q | 31.9 | Very low | 35.1 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -120.2 | 118.1 | 159.3 | -89.6 | -106 | 64.3 | 0 | 0 | 106.7 | ||||
| 186 | A | 36.3 | Very low | 35 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | trans | -86 | 132.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 187 | D | 36.5 | Very low | 35.3 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -149 | 133.1 | 153.8 | -108.4 | -41.8 | 0 | 0 | 0 | 110.6 | ||||
| 188 | E | 40.1 | Very low | 35.3 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -85.9 | 134.5 | -178.5 | -71.2 | -96.2 | 129.1 | 0 | 0 | 109.9 | ||||
| 189 | A | 37.4 | Very low | 35.1 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | -158.5 | 111.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 190 | G | 30.4 | Very low | 34.9 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -85.2 | 155.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 191 | C | 30.3 | Very low | 35.2 | Very low | 140 Ų | 140 | 137 Ų | 137 | 95% | 0.946 | 83% | 0.827 | S | S | * | * | trans | -169.8 | 138.4 | 139.7 | -98.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 192 | S | 34.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -58.2 | 150.5 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 193 | A | 32.7 | Very low | 35.7 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | 160.2 | 119.9 | 108.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 194 | Q | 33 | Very low | 36.6 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 75.6 | 153.1 | 137.6 | -65.5 | -67.8 | -59.7 | 0 | 0 | 122.6 | ||||
| 195 | P | 37.4 | Very low | 37.6 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | -111.6 | 162.4 | -162.7 | 40.4 | -28.7 | 0 | 0 | 0 | 116.2 | ||||
| 196 | S | 28.2 | Very low | 38.7 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | 71.2 | 157.5 | 154 | -103.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 197 | P | 44.4 | Very low | 39.8 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | -137 | 173.1 | 34 | 37.2 | -15.8 | 0 | 0 | 0 | 118.8 | ||||
| 198 | E | 36 | Very low | 40.9 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -35.1 | 139.1 | 171.7 | -62.4 | 178.9 | 90.9 | 0 | 0 | 116.7 | ||||
| 199 | R | 34.1 | Very low | 42.1 | Very low | 246 Ų | 246 | 139 Ų | 139 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -128.1 | 120.2 | 151.4 | -93.6 | 179.9 | 177.5 | 167.6 | -0.3 | 109.7 | ||||
| 200 | Q | 34.4 | Very low | 43.5 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -62.5 | 157 | 176.1 | -76.4 | -175.8 | -37.3 | 0 | 0 | 112.9 | ||||
| 201 | P | 42.7 | Very low | 45.1 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 145.4 | -174.7 | 33.9 | -32.2 | 0 | 0 | 0 | 112.5 | ||||
| 202 | S | 37 | Very low | 46.8 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -124.8 | 154.6 | 167.1 | -75.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 203 | P | 46.8 | Very low | 48.1 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -96.3 | 150 | -147.6 | -1.7 | 22.7 | 0 | 0 | 0 | 114.9 | ||||
| 204 | L | 50.5 | Low | 49.5 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | 63.6 | 93.2 | 152.4 | -58.2 | 174.3 | 0 | 0 | 0 | 118.6 | ||||
| 205 | E | 55 | Low | 51 | Low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -139.2 | 129.5 | 145.8 | -82.8 | -63.1 | 141.9 | 0 | 0 | 107.9 | R207 | E205-R207 PolarHBondContact O-N 3.38Š| ||
| 206 | P | 55.1 | Low | 52.2 | Low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 98 | 177.9 | 26.6 | -29.7 | 0 | 0 | 0 | 109.9 | ||||
| 207 | R | 58.9 | Low | 54 | Low | 226 Ų | 226 | 138.4 Ų | 138.4 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 138.6 | 171.5 | -75.2 | 179.6 | 171.3 | 167 | -2.3 | 109.9 | E205 V209 | E205-R207 PolarHBondContact O-N 3.38Å; R207-V209 PolarHBondContact O-N 3Å |
| 208 | P | 59.2 | Low | 55.2 | Low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 126.6 | 171.7 | 24.9 | -31.5 | 0 | 0 | 0 | 108.5 | S210 | P208-S210 PolarHBondContact O-N 3.05Å; P208-S210 VanDerWaalsContact O-N 3.17Å |
| 209 | V | 65.4 | Low | 56.8 | Low | 115 Ų | 115 | 133.9 Ų | 133.9 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 122.1 | 179.6 | 175 | 0 | 0 | 0 | 0 | 108.4 | R207 A213 | R207-V209 PolarHBondContact O-N 3Å; V209-A213 HydrophobicContact CG1-CB 3.61Å |
| 210 | S | 67.4 | Low | 58.4 | Low | 67 Ų | 67 | 127.2 Ų | 127.2 | 47% | 0.469 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 136.4 | -180 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | P208 S212 A213 | P208-S210 PolarHBondContact O-N 3.05Å; P208-S210 VanDerWaalsContact O-N 3.17Å; S210-S212 WeakPolarHBondContact CB-OG 3.48Å; S210-S212 PolarHBondContact O-N 3.11Å; S210-S212 PolarHBondContact OG-OG 2.98Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.89Å |
| 211 | P | 64.2 | Low | 60 | Low | 105 Ų | 105 | 123.8 Ų | 123.8 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -24.9 | 176.8 | -26.9 | 33.9 | 0 | 0 | 0 | 113.5 | A213 Y214 M215 | P211-A213 VanDerWaalsContact C-N 3.27Å; P211-A213 PolarHBondContact O-N 2.82Å; P211-Y214 WeakPolarHBondContact O-CB 3.29Å; P211-Y214 PolarHBondContact O-N 2.96Å; P211-Y214 VanDerWaalsContact O-N 3.11Å; P211-M215 PolarHBondContact O-N 3.31Å |
| 212 | S | 65.1 | Low | 60.9 | Low | 70 Ų | 70 | 123.2 Ų | 123.2 | 49% | 0.49 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -57 | -34.4 | 173.5 | 64 | 0 | 0 | 0 | 0 | 113.8 | S210 Y214 M215 L216 | S210-S212 WeakPolarHBondContact CB-OG 3.48Å; S210-S212 PolarHBondContact O-N 3.11Å; S210-S212 PolarHBondContact OG-OG 2.98Å; S212-Y214 VanDerWaalsContact C-N 3.25Å; S212-Y214 PolarHBondContact O-N 3.25Å; S212-M215 PolarHBondContact O-N 3.5Å; S212-L216 PolarHBondContact O-N 3.44Å |
| 213 | A | 62.1 | Low | 61.9 | Low | 31 Ų | 31 | 120.5 Ų | 120.5 | 26% | 0.256 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -74.4 | -16.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V209 S210 P211 R217 | V209-A213 HydrophobicContact CG1-CB 3.61Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.89Å; P211-A213 VanDerWaalsContact C-N 3.27Å; P211-A213 PolarHBondContact O-N 2.82Å; A213-R217 PolarHBondContact O-NE 2.98Å; A213-R217 PolarHBondContact O-NH2 3.47Å; A213-R217 VanDerWaalsContact O-NH2 3.13Å |
| 214 | Y | 62 | Low | 62.6 | Low | 163 Ų | 163 | 118.2 Ų | 118.2 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.8 | -38.6 | 171.3 | -167.3 | -95.3 | 0 | 0 | 0 | 111 | P211 S212 L216 R217 L218 | P211-Y214 WeakPolarHBondContact O-CB 3.29Å; P211-Y214 PolarHBondContact O-N 2.96Å; P211-Y214 VanDerWaalsContact O-N 3.11Å; S212-Y214 VanDerWaalsContact C-N 3.25Å; S212-Y214 PolarHBondContact O-N 3.25Å; Y214-L216 PolarHBondContact O-N 3.45Å; Y214-R217 PolarHBondContact O-N 2.91Å; Y214-R217 VanDerWaalsContact O-N 3.08Å; Y214-L218 HydrophobicContact CE1-CD2 4.25Å |
| 215 | M | 65.4 | Low | 63.1 | Low | 130 Ų | 130 | 119.3 Ų | 119.3 | 64% | 0.64 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.9 | -25.1 | 177.5 | -67.4 | -64.5 | -67.6 | 0 | 0 | 113.8 | P211 S212 R217 L218 | P211-M215 PolarHBondContact O-N 3.31Å; S212-M215 PolarHBondContact O-N 3.5Å; M215-R217 VanDerWaalsContact C-N 3.28Å; M215-R217 PolarHBondContact O-N 3.22Å; M215-L218 HydrophobicContact CE-CD1 4.41Å; M215-L218 HydrophobicContact SD-CD1 3.85Å |
| 216 | L | 62.2 | Low | 63.4 | Low | 156 Ų | 156 | 118.1 Ų | 118.1 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -9.3 | 175.6 | -69.1 | 172.2 | 0 | 0 | 0 | 114.1 | S212 Y214 | S212-L216 PolarHBondContact O-N 3.44Å; Y214-L216 PolarHBondContact O-N 3.45Å |
| 217 | R | 65.2 | Low | 63.3 | Low | 185 Ų | 185 | 117.3 Ų | 117.3 | 70% | 0.698 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -0.5 | -179.6 | -105.2 | 173.4 | -77.7 | 164.3 | -4.5 | 113.6 | A213 Y214 M215 | A213-R217 PolarHBondContact O-NE 2.98Å; A213-R217 PolarHBondContact O-NH2 3.47Å; A213-R217 VanDerWaalsContact O-NH2 3.13Å; Y214-R217 PolarHBondContact O-N 2.91Å; Y214-R217 VanDerWaalsContact O-N 3.08Å; M215-R217 VanDerWaalsContact C-N 3.28Å; M215-R217 PolarHBondContact O-N 3.22Å |
| 218 | L | 69.8 | Low | 63.2 | Low | 90 Ų | 90 | 114 Ų | 114 | 47% | 0.471 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -78.1 | 129 | 175.1 | -65.1 | 174.7 | 0 | 0 | 0 | 109.1 | Y214 M215 | Y214-L218 HydrophobicContact CE1-CD2 4.25Å; M215-L218 HydrophobicContact CE-CD1 4.41Å; M215-L218 HydrophobicContact SD-CD1 3.85Å |
| 219 | P | 70.2 | Confident | 63.3 | Low | 109 Ų | 109 | 114.2 Ų | 114.2 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 142.7 | 170 | -20 | 29.9 | 0 | 0 | 0 | 109.5 | ||
| 220 | P | 68.5 | Low | 62.8 | Low | 106 Ų | 106 | 115.4 Ų | 115.4 | 69% | 0.688 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 134.2 | 174.3 | -21.4 | 30 | 0 | 0 | 0 | 109.2 | A222 A224 | P220-A222 PolarHBondContact O-N 3.3Å; P220-A224 HydrophobicContact CB-CB 4.12Å |
| 221 | P | 68.4 | Low | 62.1 | Low | 104 Ų | 104 | 116.4 Ų | 116.4 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 137.4 | -178.6 | 19.8 | -29.5 | 0 | 0 | 0 | 109.7 | G223 A224 | P221-G223 PolarHBondContact O-N 2.9Å; P221-A224 HydrophobicContact CG-CB 4.29Å; P221-A224 WeakPolarHBondContact O-CB 3.4Å; P221-A224 PolarHBondContact O-N 3.21Å |
| 222 | A | 59.8 | Low | 61.7 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 94% | 0.942 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 112.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P220 | P220-A222 PolarHBondContact O-N 3.3Š|
| 223 | G | 59.4 | Low | 61.2 | Low | 63 Ų | 63 | 124.9 Ų | 124.9 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.1 | -8.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P221 Y225 | P221-G223 PolarHBondContact O-N 2.9Å; G223-Y225 PolarHBondContact O-N 3.21Å |
| 224 | A | 59.9 | Low | 61 | Low | 67 Ų | 67 | 128.8 Ų | 128.8 | 55% | 0.554 | 68% | 0.683 | S | S | * | * | trans | -70.5 | -16.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P220 P221 I226 | P220-A224 HydrophobicContact CB-CB 4.12Å; P221-A224 HydrophobicContact CG-CB 4.29Å; P221-A224 WeakPolarHBondContact O-CB 3.4Å; P221-A224 PolarHBondContact O-N 3.21Å; A224-I226 VanDerWaalsContact C-N 3.34Å; A224-I226 PolarHBondContact O-N 3.02Å | ||
| 225 | Y | 62.1 | Low | 60.9 | Low | 188 Ų | 188 | 122 Ų | 122 | 74% | 0.737 | 66% | 0.663 | S | S | * | * | trans | -91.6 | 73.6 | 169.8 | -167 | -111.5 | 0 | 0 | 0 | 109.1 | G223 Q227 | G223-Y225 PolarHBondContact O-N 3.21Å; Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 HydrophobicContact CD1-CG 3.72Å; Y225-Q227 HydrophobicContact CE1-CB 4.39Å; Y225-Q227 HydrophobicContact CE1-CG 3.11Å; Y225-Q227 PolarHBondContact O-N 3.24Å; Y225-Q227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | I | 61.8 | Low | 61.5 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 74% | 0.744 | 65% | 0.653 | S | S | * | * | trans | -72.8 | 101 | 158.4 | -57.3 | 179.2 | 0 | 0 | 0 | 104.5 | A224 N228 | A224-I226 VanDerWaalsContact C-N 3.34Å; A224-I226 PolarHBondContact O-N 3.02Å; I226-N228 PolarHBondContact O-N 3.37Å | ||
| 227 | Q | 53 | Low | 62.5 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | trans | -50.1 | 121.1 | 165.3 | -82.2 | -178.5 | -70.6 | 0 | 0 | 106.9 | Y225 E229 | Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 HydrophobicContact CD1-CG 3.72Å; Y225-Q227 HydrophobicContact CE1-CB 4.39Å; Y225-Q227 HydrophobicContact CE1-CG 3.11Å; Y225-Q227 PolarHBondContact O-N 3.24Å; Y225-Q227 VanDerWaalsContact O-N 3.12Å; Q227-E229 HydrophobicContact CB-CG 4.36Å; Q227-E229 PolarHBondContact O-N 3.48Å | ||
| 228 | N | 57 | Low | 63.5 | Low | 158 Ų | 158 | 112.7 Ų | 112.7 | 85% | 0.845 | 65% | 0.647 | S | S | * | * | trans | -72.9 | 42 | 178.7 | -147.5 | 33 | 0 | 0 | 0 | 110.6 | I226 | I226-N228 PolarHBondContact O-N 3.37Š| ||
| 229 | E | 60.2 | Low | 64.3 | Low | 127 Ų | 127 | 113 Ų | 113 | 59% | 0.593 | 65% | 0.648 | S | S | * | * | trans | -100.4 | 132.8 | 172.7 | -63 | -171.7 | -173.8 | 0 | 0 | 105.4 | Q227 | Q227-E229 HydrophobicContact CB-CG 4.36Å; Q227-E229 PolarHBondContact O-N 3.48Å | ||
| 230 | H | 55 | Low | 65.1 | Low | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.648 | 64% | 0.64 | S | S | * | * | trans | 76.7 | 51.2 | -169 | -31.3 | 89.5 | 0 | 0 | 0 | 114.5 | Y232 | H230-Y232 HydrophobicContact CB-CD2 3.74Å; H230-Y232 HydrophobicContact CB-CE2 3.52Å; H230-Y232 PolarHBondContact O-N 2.92Å | ||
| 231 | S | 53 | Low | 66.3 | Low | 88 Ų | 88 | 115.7 Ų | 115.7 | 62% | 0.615 | 63% | 0.634 | S | S | * | * | trans | -60.7 | 87 | 135 | -171.7 | 0 | 0 | 0 | 0 | 106.4 | Q233 | S231-Q233 PolarHBondContact O-N 3.33Š| ||
| 232 | Y | 55.6 | Low | 67.5 | Low | 185 Ų | 185 | 119.2 Ų | 119.2 | 73% | 0.725 | 63% | 0.634 | S | S | * | * | trans | -61.8 | 78.7 | 152.7 | -67 | -84.9 | 0 | 0 | 0 | 105.2 | H230 V234 | H230-Y232 HydrophobicContact CB-CD2 3.74Å; H230-Y232 HydrophobicContact CB-CE2 3.52Å; H230-Y232 PolarHBondContact O-N 2.92Å; Y232-V234 PolarHBondContact O-N 3.36Å | ||
| 233 | Q | 55.1 | Low | 69.2 | Low | 168 Ų | 168 | 121.7 Ų | 121.7 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | trans | -62.1 | 71.4 | 143.8 | -83.4 | 167.6 | -9.7 | 0 | 0 | 105.5 | S231 G235 | S231-Q233 PolarHBondContact O-N 3.33Å; Q233-G235 PolarHBondContact O-N 3.18Å | ||
| 234 | V | 56.9 | Low | 70.9 | Confident | 113 Ų | 113 | 121.2 Ų | 121.2 | 69% | 0.685 | 61% | 0.609 | S | S | * | * | trans | -47.6 | 94.3 | 136.8 | 179.2 | 0 | 0 | 0 | 0 | 102.4 | Y232 S236 | Y232-V234 PolarHBondContact O-N 3.36Å; V234-S236 PolarHBondContact O-N 3.27Å | ||
| 235 | G | 61.5 | Low | 72.7 | Confident | 21 Ų | 21 | 122.5 Ų | 122.5 | 22% | 0.216 | 60% | 0.603 | C | S | . | * | trans | -46.3 | 124.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | Q233 A237 W240 | Q233-G235 PolarHBondContact O-N 3.18Å; G235-A237 PolarHBondContact O-N 2.95Å; G235-W240 PolarHBondContact O-NE1 3.04Å | ||
| 236 | S | 76.6 | Confident | 74.4 | Confident | 62 Ų | 62 | 116.2 Ų | 116.2 | 43% | 0.434 | 59% | 0.59 | S | S | . | * | trans | -45.2 | 139.6 | -169.2 | 63.4 | 0 | 0 | 0 | 0 | 109.7 | V234 L238 L239 W240 | V234-S236 PolarHBondContact O-N 3.27Å; S236-L238 CarbonylContact O-C 3.33Å; S236-L238 PolarHBondContact O-N 2.94Å; S236-L239 WeakPolarHBondContact O-CA 3.39Å; S236-L239 WeakPolarHBondContact O-CB 3.38Å; S236-L239 PolarHBondContact O-N 3.04Å; S236-L239 WeakPolarHBondContact OG-CG 3.34Å; S236-W240 PolarHBondContact O-N 2.61Å | ||
| 237 | A | 83.3 | Confident | 76.2 | Confident | 83 Ų | 83 | 112.1 Ų | 112.1 | 69% | 0.686 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -49 | -28.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G235 W240 K241 | G235-A237 PolarHBondContact O-N 2.95Å; A237-W240 PolarHBondContact O-N 2.98Å; A237-K241 WeakPolarHBondContact O-CB 3.31Å; A237-K241 PolarHBondContact O-N 3.22Å |
| 238 | L | 86.5 | Confident | 78.3 | Confident | 131 Ų | 131 | 112.5 Ų | 112.5 | 69% | 0.686 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.7 | -39.5 | 172.2 | -60 | 178.8 | 0 | 0 | 0 | 114.7 | S236 K241 R242 | S236-L238 CarbonylContact O-C 3.33Å; S236-L238 PolarHBondContact O-N 2.94Å; L238-K241 PolarHBondContact O-N 2.65Å; L238-R242 WeakPolarHBondContact O-CB 3.22Å; L238-R242 PolarHBondContact O-N 2.87Å |
| 239 | L | 86.3 | Confident | 80.3 | Confident | 95 Ų | 95 | 109.3 Ų | 109.3 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.2 | -41.3 | 174.7 | -73.4 | 170.8 | 0 | 0 | 0 | 111.4 | S236 R242 R243 | S236-L239 WeakPolarHBondContact O-CA 3.39Å; S236-L239 WeakPolarHBondContact O-CB 3.38Å; S236-L239 PolarHBondContact O-N 3.04Å; S236-L239 WeakPolarHBondContact OG-CG 3.34Å; L239-R242 PolarHBondContact O-N 3.3Å; L239-R243 WeakPolarHBondContact O-CB 3.28Å; L239-R243 PolarHBondContact O-N 2.86Å |
| 240 | W | 87.4 | Confident | 82.1 | Confident | 146 Ų | 146 | 105.8 Ų | 105.8 | 55% | 0.553 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.9 | -42.9 | 174.5 | -74.1 | 110.4 | 0 | 0 | 0 | 112 | G235 S236 A237 R243 A244 | G235-W240 PolarHBondContact O-NE1 3.04Å; S236-W240 PolarHBondContact O-N 2.61Å; A237-W240 PolarHBondContact O-N 2.98Å; W240-R243 PolarHBondContact O-N 3.01Å; W240-A244 WeakPolarHBondContact O-CB 3.41Å; W240-A244 PolarHBondContact O-N 2.94Å |
| 241 | K | 93.3 | Very high | 84.2 | Confident | 127 Ų | 127 | 103.7 Ų | 103.7 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.2 | -50.7 | 172.8 | 178.9 | 176.5 | 172.7 | 177.1 | 0 | 111.6 | A237 L238 R243 A244 E245 | A237-K241 WeakPolarHBondContact O-CB 3.31Å; A237-K241 PolarHBondContact O-N 3.22Å; L238-K241 PolarHBondContact O-N 2.65Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.04Å; K241-A244 WeakPolarHBondContact O-CB 3.48Å; K241-A244 PolarHBondContact O-N 2.96Å; K241-A244 VanDerWaalsContact O-N 3.14Å; K241-E245 WeakPolarHBondContact CE-OE1 3.49Å; K241-E245 HydrophobicContact CG-CG 4.47Å; K241-E245 IonicContact NZ-OE1 3.94Å; K241-E245 WeakPolarHBondContact O-CG 3.36Å; K241-E245 PolarHBondContact O-N 3.46Å |
| 242 | R | 93.8 | Very high | 86.4 | Confident | 178 Ų | 178 | 102.3 Ų | 102.3 | 67% | 0.672 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.4 | -39.3 | 178.4 | -174.5 | -177.5 | -68.2 | 170.9 | -0.9 | 111.9 | L238 L239 A246 | L238-R242 WeakPolarHBondContact O-CB 3.22Å; L238-R242 PolarHBondContact O-N 2.87Å; L239-R242 PolarHBondContact O-N 3.3Å; R242-A246 VanDerWaalsContact O-CB 3.28Å; R242-A246 WeakPolarHBondContact O-CB 3.45Å; R242-A246 PolarHBondContact O-N 2.83Å |
| 243 | R | 95.5 | Very high | 88.4 | Confident | 165 Ų | 165 | 99.5 Ų | 99.5 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 176.7 | -176.2 | 177.3 | -77.8 | 155.5 | -6.2 | 111.4 | L239 W240 K241 A246 A247 | L239-R243 WeakPolarHBondContact O-CB 3.28Å; L239-R243 PolarHBondContact O-N 2.86Å; W240-R243 PolarHBondContact O-N 3.01Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.04Å; R243-A246 PolarHBondContact O-N 2.69Å; R243-A247 WeakPolarHBondContact O-CB 3.22Å; R243-A247 PolarHBondContact O-N 3Å |
| 244 | A | 96.4 | Very high | 90.5 | Very high | 54 Ų | 54 | 94 Ų | 94 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W240 K241 A246 A247 L248 | W240-A244 WeakPolarHBondContact O-CB 3.41Å; W240-A244 PolarHBondContact O-N 2.94Å; K241-A244 WeakPolarHBondContact O-CB 3.48Å; K241-A244 PolarHBondContact O-N 2.96Å; K241-A244 VanDerWaalsContact O-N 3.14Å; A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.45Å; A244-A247 WeakPolarHBondContact O-CB 3.28Å; A244-A247 PolarHBondContact O-N 3.26Å; A244-A247 VanDerWaalsContact O-N 3.11Å; A244-L248 WeakPolarHBondContact O-CG 3.2Å; A244-L248 PolarHBondContact O-N 2.8Å |
| 245 | E | 97.4 | Very high | 92.5 | Very high | 94 Ų | 94 | 93.6 Ų | 93.6 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 175.2 | -71.3 | 170.1 | 171.9 | 0 | 0 | 111.6 | K241 A247 L248 D249 | K241-E245 WeakPolarHBondContact CE-OE1 3.49Å; K241-E245 HydrophobicContact CG-CG 4.47Å; K241-E245 IonicContact NZ-OE1 3.94Å; K241-E245 WeakPolarHBondContact O-CG 3.36Å; K241-E245 PolarHBondContact O-N 3.46Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.42Å; E245-L248 PolarHBondContact O-N 3.16Å; E245-D249 PolarHBondContact O-N 2.86Å |
| 246 | A | 97.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 100.4 Ų | 100.4 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -34.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R242 R243 A244 A250 | R242-A246 VanDerWaalsContact O-CB 3.28Å; R242-A246 WeakPolarHBondContact O-CB 3.45Å; R242-A246 PolarHBondContact O-N 2.83Å; R243-A246 PolarHBondContact O-N 2.69Å; A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.45Å; A246-A250 WeakPolarHBondContact O-CB 3.34Å; A246-A250 PolarHBondContact O-N 3.12Å |
| 247 | A | 98.2 | Very high | 95.3 | Very high | 60 Ų | 60 | 102.8 Ų | 102.8 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R243 A244 E245 A250 L251 | R243-A247 WeakPolarHBondContact O-CB 3.22Å; R243-A247 PolarHBondContact O-N 3Å; A244-A247 WeakPolarHBondContact O-CB 3.28Å; A244-A247 PolarHBondContact O-N 3.26Å; A244-A247 VanDerWaalsContact O-N 3.11Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.42Å; A247-A250 WeakPolarHBondContact O-CB 3.27Å; A247-A250 PolarHBondContact O-N 3.44Å; A247-L251 PolarHBondContact O-N 3.1Å |
| 248 | L | 98.4 | Very high | 96 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 173.7 | -66.7 | 175 | 0 | 0 | 0 | 111.2 | A244 E245 A250 L251 D252 | A244-L248 WeakPolarHBondContact O-CG 3.2Å; A244-L248 PolarHBondContact O-N 2.8Å; E245-L248 PolarHBondContact O-N 3.16Å; L248-A250 VanDerWaalsContact C-N 3.26Å; L248-A250 PolarHBondContact O-N 2.98Å; L248-L251 WeakPolarHBondContact O-CB 3.34Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L248-D252 PolarHBondContact O-N 3.14Å |
| 249 | D | 98.4 | Very high | 96.6 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 174.3 | -85.3 | -8.7 | 0 | 0 | 0 | 112.6 | E245 K253 | E245-D249 PolarHBondContact O-N 2.86Å; D249-K253 WeakPolarHBondContact O-CB 3.37Å; D249-K253 WeakPolarHBondContact O-CD 3.49Å; D249-K253 VanDerWaalsContact O-CG 3.23Å; D249-K253 WeakPolarHBondContact O-CG 3.37Å; D249-K253 PolarHBondContact O-N 3.47Å |
| 250 | A | 98.4 | Very high | 97.1 | Very high | 54 Ų | 54 | 99.1 Ų | 99.1 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A246 A247 L248 K253 A254 | A246-A250 WeakPolarHBondContact O-CB 3.34Å; A246-A250 PolarHBondContact O-N 3.12Å; A247-A250 WeakPolarHBondContact O-CB 3.27Å; A247-A250 PolarHBondContact O-N 3.44Å; L248-A250 VanDerWaalsContact C-N 3.26Å; L248-A250 PolarHBondContact O-N 2.98Å; A250-K253 PolarHBondContact O-N 2.91Å; A250-A254 WeakPolarHBondContact O-CB 3.11Å; A250-A254 PolarHBondContact O-N 3.36Å |
| 251 | L | 98.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 174.4 | -174.8 | 114.6 | 0 | 0 | 0 | 110.9 | A247 L248 K253 A254 Q255 | A247-L251 PolarHBondContact O-N 3.1Å; L248-L251 WeakPolarHBondContact O-CB 3.34Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.43Å; L251-A254 CarbonylContact O-C 3.55Å; L251-A254 WeakPolarHBondContact O-CB 3.47Å; L251-A254 PolarHBondContact O-N 2.98Å; L251-A254 VanDerWaalsContact O-N 3.12Å; L251-Q255 WeakPolarHBondContact O-CG 3.03Å; L251-Q255 PolarHBondContact O-N 2.92Å |
| 252 | D | 98.6 | Very high | 97.9 | Very high | 60 Ų | 60 | 95 Ų | 95 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 176 | -102 | 25.2 | 0 | 0 | 0 | 112.7 | L248 Q255 R256 | L248-D252 PolarHBondContact O-N 3.14Å; D252-Q255 PolarHBondContact O-N 3.2Å; D252-R256 VanDerWaalsContact O-CG 3.28Å; D252-R256 WeakPolarHBondContact O-CG 3.43Å; D252-R256 PolarHBondContact O-N 3.21Å; D252-R256 PolarHBondContact O-NE 3.35Å; D252-R256 IonicContact OD2-CZ 3.24Å; D252-R256 IonicContact OD2-NH2 2.84Å; D252-R256 PolarHBondContact OD2-NH2 3.03Å |
| 253 | K | 98.2 | Very high | 98.2 | Very high | 126 Ų | 126 | 92.9 Ų | 92.9 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 175.2 | -74.9 | 163.7 | -172.9 | 156.8 | 0 | 110.9 | D249 A250 L251 R256 Q257 | D249-K253 WeakPolarHBondContact O-CB 3.37Å; D249-K253 WeakPolarHBondContact O-CD 3.49Å; D249-K253 VanDerWaalsContact O-CG 3.23Å; D249-K253 WeakPolarHBondContact O-CG 3.37Å; D249-K253 PolarHBondContact O-N 3.47Å; A250-K253 PolarHBondContact O-N 2.91Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.43Å; K253-R256 PolarHBondContact O-N 3.29Å; K253-Q257 VanDerWaalsContact O-CG 3.31Å; K253-Q257 WeakPolarHBondContact O-CG 3.42Å; K253-Q257 PolarHBondContact O-N 2.8Å |
| 254 | A | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A250 L251 R256 Q257 L258 | A250-A254 WeakPolarHBondContact O-CB 3.11Å; A250-A254 PolarHBondContact O-N 3.36Å; L251-A254 CarbonylContact O-C 3.55Å; L251-A254 WeakPolarHBondContact O-CB 3.47Å; L251-A254 PolarHBondContact O-N 2.98Å; L251-A254 VanDerWaalsContact O-N 3.12Å; A254-R256 PolarHBondContact O-N 3.04Å; A254-Q257 PolarHBondContact O-N 3.39Å; A254-L258 WeakPolarHBondContact O-CB 3.49Å; A254-L258 PolarHBondContact O-N 3.38Å |
| 255 | Q | 98.7 | Very high | 98.4 | Very high | 104 Ų | 104 | 94.4 Ų | 94.4 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.4 | -73.5 | -178.8 | -4.7 | 0 | 0 | 111.8 | L251 D252 Q257 L258 Q259 | L251-Q255 WeakPolarHBondContact O-CG 3.03Å; L251-Q255 PolarHBondContact O-N 2.92Å; D252-Q255 PolarHBondContact O-N 3.2Å; Q255-Q257 VanDerWaalsContact C-N 3.31Å; Q255-Q257 PolarHBondContact O-N 3.4Å; Q255-L258 PolarHBondContact O-N 3.15Å; Q255-Q259 WeakPolarHBondContact O-CG 3.12Å; Q255-Q259 PolarHBondContact O-N 3.49Å |
| 256 | R | 98.6 | Very high | 98.5 | Very high | 164 Ų | 164 | 95.9 Ų | 95.9 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.9 | -40.2 | 176.3 | -70.1 | 171.8 | -135.5 | -116.4 | 3.7 | 111.9 | D252 K253 A254 Q259 A260 | D252-R256 VanDerWaalsContact O-CG 3.28Å; D252-R256 WeakPolarHBondContact O-CG 3.43Å; D252-R256 PolarHBondContact O-N 3.21Å; D252-R256 PolarHBondContact O-NE 3.35Å; D252-R256 IonicContact OD2-CZ 3.24Å; D252-R256 IonicContact OD2-NH2 2.84Å; D252-R256 PolarHBondContact OD2-NH2 3.03Å; K253-R256 PolarHBondContact O-N 3.29Å; A254-R256 PolarHBondContact O-N 3.04Å; R256-Q259 PolarHBondContact O-N 3.22Å; R256-A260 WeakPolarHBondContact O-CB 3.41Å; R256-A260 PolarHBondContact O-N 3.29Å |
| 257 | Q | 98.4 | Very high | 98.5 | Very high | 113 Ų | 113 | 100.4 Ų | 100.4 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.2 | -73.4 | 176.4 | 5.6 | 0 | 0 | 111.8 | K253 A254 Q255 Q259 A260 C261 | K253-Q257 VanDerWaalsContact O-CG 3.31Å; K253-Q257 WeakPolarHBondContact O-CG 3.42Å; K253-Q257 PolarHBondContact O-N 2.8Å; A254-Q257 PolarHBondContact O-N 3.39Å; Q255-Q257 VanDerWaalsContact C-N 3.31Å; Q255-Q257 PolarHBondContact O-N 3.4Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q257-A260 WeakPolarHBondContact O-CB 3.34Å; Q257-A260 PolarHBondContact O-N 2.97Å; Q257-A260 VanDerWaalsContact O-N 3.16Å; Q257-C261 PolarHBondContact O-N 3.19Å; Q257-C261 PolarHBondContact O-SG 2.85Å |
| 258 | L | 98.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 176.2 | 179.2 | 62.5 | 0 | 0 | 0 | 111.1 | A254 Q255 A260 C261 K262 | A254-L258 WeakPolarHBondContact O-CB 3.49Å; A254-L258 PolarHBondContact O-N 3.38Å; Q255-L258 PolarHBondContact O-N 3.15Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.33Å; L258-C261 WeakPolarHBondContact O-CB 3.29Å; L258-C261 PolarHBondContact O-N 2.84Å; L258-K262 WeakPolarHBondContact O-CG 3.15Å; L258-K262 PolarHBondContact O-N 3.27Å |
| 259 | Q | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 176.7 | -67 | -62.7 | -14.5 | 0 | 0 | 112.1 | Q255 R256 Q257 K262 R263 | Q255-Q259 WeakPolarHBondContact O-CG 3.12Å; Q255-Q259 PolarHBondContact O-N 3.49Å; R256-Q259 PolarHBondContact O-N 3.22Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q259-K262 PolarHBondContact O-N 3.29Å; Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 PolarHBondContact O-N 3.01Å |
| 260 | A | 98.3 | Very high | 98.6 | Very high | 43 Ų | 43 | 105 Ų | 105 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R256 Q257 L258 R264 | R256-A260 WeakPolarHBondContact O-CB 3.41Å; R256-A260 PolarHBondContact O-N 3.29Å; Q257-A260 WeakPolarHBondContact O-CB 3.34Å; Q257-A260 PolarHBondContact O-N 2.97Å; Q257-A260 VanDerWaalsContact O-N 3.16Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.33Å; A260-R264 WeakPolarHBondContact O-CB 3.44Å; A260-R264 PolarHBondContact O-N 3.33Å |
| 261 | C | 98.6 | Very high | 98.6 | Very high | 80 Ų | 80 | 108.3 Ų | 108.3 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 174.1 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | Q257 L258 R263 R264 E265 | Q257-C261 PolarHBondContact O-N 3.19Å; Q257-C261 PolarHBondContact O-SG 2.85Å; L258-C261 WeakPolarHBondContact O-CB 3.29Å; L258-C261 PolarHBondContact O-N 2.84Å; C261-R263 PolarHBondContact O-N 2.95Å; C261-R264 WeakPolarHBondContact O-CB 3.49Å; C261-R264 PolarHBondContact O-N 2.73Å; C261-R264 VanDerWaalsContact O-N 3.09Å; C261-E265 PolarHBondContact O-N 3.35Å |
| 262 | K | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 108.8 Ų | 108.8 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 175.9 | -73.8 | -177.7 | 175.9 | -175.5 | 0 | 112.1 | L258 Q259 R264 E265 Q266 | L258-K262 WeakPolarHBondContact O-CG 3.15Å; L258-K262 PolarHBondContact O-N 3.27Å; Q259-K262 PolarHBondContact O-N 3.29Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.04Å; K262-E265 PolarHBondContact O-N 3.19Å; K262-Q266 PolarHBondContact O-N 3.18Å |
| 263 | R | 98.6 | Very high | 98.6 | Very high | 132 Ų | 132 | 109.7 Ų | 109.7 | 50% | 0.498 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.2 | -71.6 | -171.7 | -61.9 | -96.5 | 3.6 | 112.2 | Q259 C261 R267 | Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 PolarHBondContact O-N 3.01Å; C261-R263 PolarHBondContact O-N 2.95Å; R263-R267 WeakPolarHBondContact O-CG 3.46Å; R263-R267 PolarHBondContact O-N 2.81Å; R263-R267 PolarHBondContact O-NH1 2.93Å |
| 264 | R | 98.4 | Very high | 98.6 | Very high | 163 Ų | 163 | 109 Ų | 109 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -45.5 | 176.6 | 179.2 | -179 | 177.4 | -172.5 | -2.5 | 111 | A260 C261 K262 R267 L268 | A260-R264 WeakPolarHBondContact O-CB 3.44Å; A260-R264 PolarHBondContact O-N 3.33Å; C261-R264 WeakPolarHBondContact O-CB 3.49Å; C261-R264 PolarHBondContact O-N 2.73Å; C261-R264 VanDerWaalsContact O-N 3.09Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.04Å; R264-R267 PolarHBondContact O-N 3.41Å; R264-L268 HydrophobicContact CG-CD1 4.19Å; R264-L268 WeakPolarHBondContact O-CG 3.48Å; R264-L268 PolarHBondContact O-N 2.93Å |
| 265 | E | 98.6 | Very high | 98.6 | Very high | 88 Ų | 88 | 110.1 Ų | 110.1 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 177.7 | -175.1 | -175.1 | 178.8 | 0 | 0 | 111.3 | C261 K262 R267 L268 R269 | C261-E265 PolarHBondContact O-N 3.35Å; K262-E265 PolarHBondContact O-N 3.19Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 3.4Å; E265-L268 CarbonylContact O-C 3.52Å; E265-L268 WeakPolarHBondContact O-CB 3.42Å; E265-L268 PolarHBondContact O-N 3.36Å; E265-R269 HydrophobicContact CG-CG 4.36Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.43Å; E265-R269 IonicContact OE1-CZ 3.92Å; E265-R269 IonicContact OE1-NE 2.8Å; E265-R269 PolarHBondContact OE1-NE 2.99Å; E265-R269 IonicContact OE1-NH2 3.84Å; E265-R269 PolarHBondContact OE1-NH2 3.16Å |
| 266 | Q | 98.7 | Very high | 98.6 | Very high | 125 Ų | 125 | 111.5 Ų | 111.5 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.8 | -45.1 | 176.8 | -172.4 | -179 | 7.4 | 0 | 0 | 111.9 | K262 L268 R269 L270 | K262-Q266 PolarHBondContact O-N 3.18Å; Q266-L268 VanDerWaalsContact C-N 3.31Å; Q266-L268 PolarHBondContact O-N 3.25Å; Q266-R269 PolarHBondContact O-N 2.86Å; Q266-L270 WeakPolarHBondContact O-CG 3.37Å; Q266-L270 PolarHBondContact O-N 3Å |
| 267 | R | 98.6 | Very high | 98.6 | Very high | 151 Ų | 151 | 108.7 Ų | 108.7 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 175 | -70.8 | -168.7 | -57.2 | -83.5 | 5 | 112.4 | R263 R264 E265 R271 | R263-R267 WeakPolarHBondContact O-CG 3.46Å; R263-R267 PolarHBondContact O-N 2.81Å; R263-R267 PolarHBondContact O-NH1 2.93Å; R264-R267 PolarHBondContact O-N 3.41Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 3.4Å; R267-R271 PolarHBondContact O-N 2.78Å |
| 268 | L | 98.6 | Very high | 98.6 | Very high | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68 | -42.6 | 178 | -68.9 | 174.6 | 0 | 0 | 0 | 111.6 | R264 E265 Q266 L270 R271 L272 | R264-L268 HydrophobicContact CG-CD1 4.19Å; R264-L268 WeakPolarHBondContact O-CG 3.48Å; R264-L268 PolarHBondContact O-N 2.93Å; E265-L268 CarbonylContact O-C 3.52Å; E265-L268 WeakPolarHBondContact O-CB 3.42Å; E265-L268 PolarHBondContact O-N 3.36Å; Q266-L268 VanDerWaalsContact C-N 3.31Å; Q266-L268 PolarHBondContact O-N 3.25Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L268-L270 PolarHBondContact O-N 3.43Å; L268-R271 PolarHBondContact O-N 2.63Å; L268-R271 VanDerWaalsContact O-N 3.16Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 3.02Å |
| 269 | R | 98.6 | Very high | 98.6 | Very high | 157 Ų | 157 | 110.4 Ų | 110.4 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.4 | -47.3 | 174.7 | -72 | -179.3 | -178.9 | -165.2 | -1.7 | 111 | E265 Q266 R271 L272 T273 | E265-R269 HydrophobicContact CG-CG 4.36Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.43Å; E265-R269 IonicContact OE1-CZ 3.92Å; E265-R269 IonicContact OE1-NE 2.8Å; E265-R269 PolarHBondContact OE1-NE 2.99Å; E265-R269 IonicContact OE1-NH2 3.84Å; E265-R269 PolarHBondContact OE1-NH2 3.16Å; Q266-R269 PolarHBondContact O-N 2.86Å; R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.21Å; R269-L272 PolarHBondContact O-N 2.87Å; R269-T273 WeakPolarHBondContact O-CG2 3.43Å; R269-T273 PolarHBondContact O-N 3.41Å; R269-T273 PolarHBondContact O-OG1 3.43Å |
| 270 | L | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 107.4 Ų | 107.4 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -37 | 175.7 | -68.4 | 173.1 | 0 | 0 | 0 | 113 | Q266 L268 T273 K274 | Q266-L270 WeakPolarHBondContact O-CG 3.37Å; Q266-L270 PolarHBondContact O-N 3Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L268-L270 PolarHBondContact O-N 3.43Å; L270-T273 WeakPolarHBondContact CA-OG1 3.24Å; L270-T273 PolarHBondContact O-OG1 3.09Å; L270-K274 WeakPolarHBondContact O-CB 3.31Å; L270-K274 PolarHBondContact O-N 2.98Å; L270-K274 VanDerWaalsContact O-N 3.12Å |
| 271 | R | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 112.4 Ų | 112.4 | 46% | 0.464 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 176 | -174.8 | 55.5 | 173.8 | 151.6 | -1.7 | 111.5 | R267 L268 R269 K274 L275 E278 | R267-R271 PolarHBondContact O-N 2.78Å; L268-R271 PolarHBondContact O-N 2.63Å; L268-R271 VanDerWaalsContact O-N 3.16Å; R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.21Å; R271-K274 PolarHBondContact O-N 3.42Å; R271-L275 HydrophobicContact CG-CD1 4.14Å; R271-L275 WeakPolarHBondContact O-CB 3.48Å; R271-L275 VanDerWaalsContact O-CG 3.29Å; R271-L275 WeakPolarHBondContact O-CG 3.47Å; R271-L275 PolarHBondContact O-N 3.18Å; R271-E278 IonicContact NH1-OE1 3.12Å; R271-E278 IonicContact NH1-OE2 2.63Å |
| 272 | L | 98.8 | Very high | 98.6 | Very high | 106 Ų | 106 | 114.2 Ų | 114.2 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 176.7 | -75.4 | 171.2 | 0 | 0 | 0 | 111.5 | L268 R269 K274 L275 Q276 | L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 3.02Å; R269-L272 PolarHBondContact O-N 2.87Å; L272-K274 VanDerWaalsContact C-N 3.34Å; L272-K274 PolarHBondContact O-N 2.97Å; L272-L275 PolarHBondContact O-N 3.25Å; L272-Q276 WeakPolarHBondContact O-CG 3.01Å; L272-Q276 PolarHBondContact O-N 2.85Å |
| 273 | T | 98.7 | Very high | 98.5 | Very high | 79 Ų | 79 | 115.1 Ų | 115.1 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | R269 L270 L275 Q276 Q277 | R269-T273 WeakPolarHBondContact O-CG2 3.43Å; R269-T273 PolarHBondContact O-N 3.41Å; R269-T273 PolarHBondContact O-OG1 3.43Å; L270-T273 WeakPolarHBondContact CA-OG1 3.24Å; L270-T273 PolarHBondContact O-OG1 3.09Å; T273-L275 PolarHBondContact O-N 3.5Å; T273-Q276 PolarHBondContact O-N 3.12Å; T273-Q277 PolarHBondContact O-N 3.45Å |
| 274 | K | 98.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 116 Ų | 116 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.3 | -176.8 | 170.8 | 177.6 | 175.3 | 0 | 112.2 | L270 R271 L272 Q276 Q277 E278 | L270-K274 WeakPolarHBondContact O-CB 3.31Å; L270-K274 PolarHBondContact O-N 2.98Å; L270-K274 VanDerWaalsContact O-N 3.12Å; R271-K274 PolarHBondContact O-N 3.42Å; L272-K274 VanDerWaalsContact C-N 3.34Å; L272-K274 PolarHBondContact O-N 2.97Å; K274-Q276 VanDerWaalsContact C-N 3.33Å; K274-Q276 PolarHBondContact O-N 2.91Å; K274-Q277 PolarHBondContact O-N 3.23Å; K274-E278 WeakPolarHBondContact CE-OE1 3.44Å; K274-E278 WeakPolarHBondContact O-CG 3.46Å; K274-E278 PolarHBondContact O-N 3Å |
| 275 | L | 98.6 | Very high | 98.5 | Very high | 75 Ų | 75 | 111 Ų | 111 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.4 | -73.9 | 169.6 | 0 | 0 | 0 | 112.3 | R271 L272 T273 Q277 E278 R279 | R271-L275 HydrophobicContact CG-CD1 4.14Å; R271-L275 WeakPolarHBondContact O-CB 3.48Å; R271-L275 VanDerWaalsContact O-CG 3.29Å; R271-L275 WeakPolarHBondContact O-CG 3.47Å; R271-L275 PolarHBondContact O-N 3.18Å; L272-L275 PolarHBondContact O-N 3.25Å; T273-L275 PolarHBondContact O-N 3.5Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; L275-E278 PolarHBondContact O-N 3.39Å; L275-R279 WeakPolarHBondContact O-CB 3.4Å; L275-R279 PolarHBondContact O-N 2.94Å |
| 276 | Q | 98.5 | Very high | 98.5 | Very high | 133 Ų | 133 | 111.2 Ų | 111.2 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 174.2 | -74.4 | 173.3 | -20.2 | 0 | 0 | 111.4 | L272 T273 K274 R279 A280 | L272-Q276 WeakPolarHBondContact O-CG 3.01Å; L272-Q276 PolarHBondContact O-N 2.85Å; T273-Q276 PolarHBondContact O-N 3.12Å; K274-Q276 VanDerWaalsContact C-N 3.33Å; K274-Q276 PolarHBondContact O-N 2.91Å; Q276-R279 PolarHBondContact O-N 3.2Å; Q276-A280 WeakPolarHBondContact O-CB 3.35Å; Q276-A280 PolarHBondContact O-N 3.14Å |
| 277 | Q | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 176 | -168 | -177.5 | 29.2 | 0 | 0 | 111.9 | T273 K274 L275 A280 R281 | T273-Q277 PolarHBondContact O-N 3.45Å; K274-Q277 PolarHBondContact O-N 3.23Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; Q277-A280 PolarHBondContact O-N 3.34Å; Q277-R281 WeakPolarHBondContact O-CG 2.94Å; Q277-R281 PolarHBondContact O-N 3.46Å |
| 278 | E | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 105.3 Ų | 105.3 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 174.9 | -74.1 | 168.7 | -175.4 | 0 | 0 | 110.7 | R271 K274 L275 A280 R281 E282 | R271-E278 IonicContact NH1-OE1 3.12Å; R271-E278 IonicContact NH1-OE2 2.63Å; K274-E278 WeakPolarHBondContact CE-OE1 3.44Å; K274-E278 WeakPolarHBondContact O-CG 3.46Å; K274-E278 PolarHBondContact O-N 3Å; L275-E278 PolarHBondContact O-N 3.39Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.39Å; E278-R281 WeakPolarHBondContact O-CB 3.47Å; E278-R281 PolarHBondContact O-N 3.01Å; E278-R281 VanDerWaalsContact O-N 3.13Å; E278-E282 PolarHBondContact O-N 3.48Å |
| 279 | R | 98.5 | Very high | 98.4 | Very high | 166 Ų | 166 | 103.2 Ų | 103.2 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -37.8 | 176.7 | -171.1 | 178.5 | -174.2 | -177 | 1.6 | 112.6 | L275 Q276 K283 | L275-R279 WeakPolarHBondContact O-CB 3.4Å; L275-R279 PolarHBondContact O-N 2.94Å; Q276-R279 PolarHBondContact O-N 3.2Å; R279-K283 WeakPolarHBondContact O-CG 3.23Å; R279-K283 PolarHBondContact O-N 2.92Å |
| 280 | A | 98.3 | Very high | 98.4 | Very high | 33 Ų | 33 | 104 Ų | 104 | 27% | 0.273 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q276 Q277 E278 R284 | Q276-A280 WeakPolarHBondContact O-CB 3.35Å; Q276-A280 PolarHBondContact O-N 3.14Å; Q277-A280 PolarHBondContact O-N 3.34Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.39Å; A280-R284 WeakPolarHBondContact O-CG 3.46Å; A280-R284 PolarHBondContact O-N 2.9Å; A280-R284 VanDerWaalsContact O-N 3.17Å; A280-R284 PolarHBondContact O-NH1 2.81Å |
| 281 | R | 98.3 | Very high | 98.3 | Very high | 147 Ų | 147 | 104.3 Ų | 104.3 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | 174 | -71.1 | 175 | -175.9 | -177.4 | 2.2 | 111.3 | Q277 E278 K283 R284 A285 | Q277-R281 WeakPolarHBondContact O-CG 2.94Å; Q277-R281 PolarHBondContact O-N 3.46Å; E278-R281 WeakPolarHBondContact O-CB 3.47Å; E278-R281 PolarHBondContact O-N 3.01Å; E278-R281 VanDerWaalsContact O-N 3.13Å; R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3Å; R281-R284 PolarHBondContact O-N 2.8Å; R281-R284 VanDerWaalsContact O-N 3.17Å; R281-A285 PolarHBondContact O-N 2.97Å |
| 282 | E | 98.3 | Very high | 98.3 | Very high | 118 Ų | 118 | 101.5 Ų | 101.5 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 177.1 | -172.4 | -179.5 | -171.1 | 0 | 0 | 111.8 | E278 R284 A285 Q286 | E278-E282 PolarHBondContact O-N 3.48Å; E282-R284 VanDerWaalsContact C-N 3.31Å; E282-R284 PolarHBondContact O-N 3.38Å; E282-A285 PolarHBondContact O-N 3.31Å; E282-Q286 WeakPolarHBondContact O-CB 3.34Å; E282-Q286 WeakPolarHBondContact O-CG 3.43Å; E282-Q286 PolarHBondContact O-N 3.11Å |
| 283 | K | 98.4 | Very high | 98.3 | Very high | 126 Ų | 126 | 101.7 Ų | 101.7 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 174.5 | -78.6 | -176.3 | 175.9 | -168.8 | 0 | 113 | R279 R281 A287 | R279-K283 WeakPolarHBondContact O-CG 3.23Å; R279-K283 PolarHBondContact O-N 2.92Å; R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3Å; K283-A287 PolarHBondContact O-N 3.37Å |
| 284 | R | 98.2 | Very high | 98.2 | Very high | 151 Ų | 151 | 105 Ų | 105 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -50 | 175.7 | -70.2 | -178.8 | -165.9 | 97.9 | -5.7 | 110.8 | A280 R281 E282 Q286 A287 D288 | A280-R284 WeakPolarHBondContact O-CG 3.46Å; A280-R284 PolarHBondContact O-N 2.9Å; A280-R284 VanDerWaalsContact O-N 3.17Å; A280-R284 PolarHBondContact O-NH1 2.81Å; R281-R284 PolarHBondContact O-N 2.8Å; R281-R284 VanDerWaalsContact O-N 3.17Å; E282-R284 VanDerWaalsContact C-N 3.31Å; E282-R284 PolarHBondContact O-N 3.38Å; R284-Q286 PolarHBondContact O-N 3.36Å; R284-A287 WeakPolarHBondContact O-CA 3.48Å; R284-A287 WeakPolarHBondContact O-CB 3.36Å; R284-A287 PolarHBondContact O-N 2.98Å; R284-D288 VanDerWaalsContact O-CG 3.23Å; R284-D288 PolarHBondContact O-N 2.92Å |
| 285 | A | 98.1 | Very high | 98.2 | Very high | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R281 E282 A289 | R281-A285 PolarHBondContact O-N 2.97Å; E282-A285 PolarHBondContact O-N 3.31Å; A285-A289 VanDerWaalsContact O-CB 3.32Å; A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 3.43Å |
| 286 | Q | 98.1 | Very high | 98.2 | Very high | 94 Ų | 94 | 105.2 Ų | 105.2 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 173.6 | -73.8 | 178.8 | 8.7 | 0 | 0 | 112.9 | E282 R284 R290 | E282-Q286 WeakPolarHBondContact O-CB 3.34Å; E282-Q286 WeakPolarHBondContact O-CG 3.43Å; E282-Q286 PolarHBondContact O-N 3.11Å; R284-Q286 PolarHBondContact O-N 3.36Å; Q286-R290 WeakPolarHBondContact O-CB 3.37Å; Q286-R290 WeakPolarHBondContact O-CG 3.28Å; Q286-R290 PolarHBondContact O-N 3.21Å |
| 287 | A | 98.1 | Very high | 98.1 | Very high | 53 Ų | 53 | 103.7 Ų | 103.7 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K283 R284 A289 R290 Q291 | K283-A287 PolarHBondContact O-N 3.37Å; R284-A287 WeakPolarHBondContact O-CA 3.48Å; R284-A287 WeakPolarHBondContact O-CB 3.36Å; R284-A287 PolarHBondContact O-N 2.98Å; A287-A289 PolarHBondContact O-N 3.46Å; A287-R290 WeakPolarHBondContact O-CB 3.28Å; A287-R290 PolarHBondContact O-N 2.95Å; A287-R290 VanDerWaalsContact O-N 3.15Å; A287-Q291 PolarHBondContact O-N 3.25Å |
| 288 | D | 98.1 | Very high | 98 | Very high | 99 Ų | 99 | 105 Ų | 105 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 177.3 | -58.4 | -20.1 | 0 | 0 | 0 | 110.4 | R284 R290 Q291 T292 | R284-D288 VanDerWaalsContact O-CG 3.23Å; R284-D288 PolarHBondContact O-N 2.92Å; D288-R290 VanDerWaalsContact C-N 3.3Å; D288-R290 PolarHBondContact O-N 2.72Å; D288-Q291 WeakPolarHBondContact O-CB 3.44Å; D288-Q291 PolarHBondContact O-N 2.93Å; D288-T292 WeakPolarHBondContact O-CG2 3.4Å; D288-T292 PolarHBondContact O-N 3.34Å; D288-T292 PolarHBondContact O-OG1 3.27Å |
| 289 | A | 98.1 | Very high | 97.9 | Very high | 49 Ų | 49 | 105.9 Ų | 105.9 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A285 A287 Q291 T292 L293 | A285-A289 VanDerWaalsContact O-CB 3.32Å; A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 3.43Å; A287-A289 PolarHBondContact O-N 3.46Å; A289-Q291 VanDerWaalsContact C-N 3.32Å; A289-T292 WeakPolarHBondContact CA-OG1 3.41Å; A289-T292 PolarHBondContact O-OG1 2.92Å; A289-L293 WeakPolarHBondContact O-CB 3.47Å; A289-L293 VanDerWaalsContact O-CG 3.26Å; A289-L293 WeakPolarHBondContact O-CG 3.4Å; A289-L293 PolarHBondContact O-N 2.94Å |
| 290 | R | 98.1 | Very high | 97.9 | Very high | 173 Ų | 173 | 104.1 Ų | 104.1 | 65% | 0.653 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -34.1 | 173.4 | -77 | 171.1 | 177.6 | -170.4 | -0.9 | 111.6 | Q286 A287 D288 K294 | Q286-R290 WeakPolarHBondContact O-CB 3.37Å; Q286-R290 WeakPolarHBondContact O-CG 3.28Å; Q286-R290 PolarHBondContact O-N 3.21Å; A287-R290 WeakPolarHBondContact O-CB 3.28Å; A287-R290 PolarHBondContact O-N 2.95Å; A287-R290 VanDerWaalsContact O-N 3.15Å; D288-R290 VanDerWaalsContact C-N 3.3Å; D288-R290 PolarHBondContact O-N 2.72Å; R290-K294 WeakPolarHBondContact O-CG 3.42Å; R290-K294 PolarHBondContact O-N 3.45Å |
| 291 | Q | 98.1 | Very high | 97.7 | Very high | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.6 | -45.5 | 179 | -178.1 | 152.4 | -10.9 | 0 | 0 | 111.5 | A287 D288 A289 L293 K294 E295 | A287-Q291 PolarHBondContact O-N 3.25Å; D288-Q291 WeakPolarHBondContact O-CB 3.44Å; D288-Q291 PolarHBondContact O-N 2.93Å; A289-Q291 VanDerWaalsContact C-N 3.32Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.48Å; Q291-K294 WeakPolarHBondContact O-CA 3.45Å; Q291-K294 WeakPolarHBondContact O-CB 3.49Å; Q291-K294 PolarHBondContact O-N 3.38Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.4Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 2.88Å |
| 292 | T | 97.9 | Very high | 97.5 | Very high | 63 Ų | 63 | 104.1 Ų | 104.1 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 175.5 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | D288 A289 K294 E295 H296 | D288-T292 WeakPolarHBondContact O-CG2 3.4Å; D288-T292 PolarHBondContact O-N 3.34Å; D288-T292 PolarHBondContact O-OG1 3.27Å; A289-T292 WeakPolarHBondContact CA-OG1 3.41Å; A289-T292 PolarHBondContact O-OG1 2.92Å; T292-K294 VanDerWaalsContact C-N 3.33Å; T292-K294 PolarHBondContact O-N 3.42Å; T292-E295 PolarHBondContact O-N 3.14Å; T292-H296 PolarHBondContact O-CD2 2.88Å; T292-H296 PolarHBondContact O-N 2.91Å |
| 293 | L | 97.8 | Very high | 97.3 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 173.5 | -74.3 | 172.5 | 0 | 0 | 0 | 112.5 | A289 Q291 V297 | A289-L293 WeakPolarHBondContact O-CB 3.47Å; A289-L293 VanDerWaalsContact O-CG 3.26Å; A289-L293 WeakPolarHBondContact O-CG 3.4Å; A289-L293 PolarHBondContact O-N 2.94Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.48Å; L293-V297 VanDerWaalsContact O-CG2 3.25Å; L293-V297 WeakPolarHBondContact O-CG2 3.4Å; L293-V297 PolarHBondContact O-N 2.73Å |
| 294 | K | 98.1 | Very high | 97.1 | Very high | 147 Ų | 147 | 103.6 Ų | 103.6 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 175.6 | -77 | 175.2 | 178 | -173 | 0 | 111.7 | R290 Q291 T292 V297 Q298 | R290-K294 WeakPolarHBondContact O-CG 3.42Å; R290-K294 PolarHBondContact O-N 3.45Å; Q291-K294 WeakPolarHBondContact O-CA 3.45Å; Q291-K294 WeakPolarHBondContact O-CB 3.49Å; Q291-K294 PolarHBondContact O-N 3.38Å; T292-K294 VanDerWaalsContact C-N 3.33Å; T292-K294 PolarHBondContact O-N 3.42Å; K294-V297 PolarHBondContact O-N 2.76Å; K294-Q298 PolarHBondContact O-N 2.74Å |
| 295 | E | 97.5 | Very high | 96.8 | Very high | 87 Ų | 87 | 99.5 Ų | 99.5 | 41% | 0.407 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -50.5 | 176.4 | -71.1 | 165.7 | -173.4 | 0 | 0 | 110.2 | Q291 T292 V297 Q298 D299 | Q291-E295 WeakPolarHBondContact CG-OE1 3.4Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 2.88Å; T292-E295 PolarHBondContact O-N 3.14Å; E295-V297 VanDerWaalsContact C-N 3.32Å; E295-V297 PolarHBondContact O-N 3.01Å; E295-Q298 WeakPolarHBondContact O-CB 3.44Å; E295-Q298 PolarHBondContact O-N 3.28Å; E295-Q298 VanDerWaalsContact O-N 3.07Å; E295-D299 PolarHBondContact O-N 2.85Å |
| 296 | H | 97.8 | Very high | 96.4 | Very high | 106 Ų | 106 | 100.8 Ų | 100.8 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 176.2 | -70.2 | -174.1 | 0 | 0 | 0 | 112.4 | T292 Q298 D299 F300 | T292-H296 PolarHBondContact O-CD2 2.88Å; T292-H296 PolarHBondContact O-N 2.91Å; H296-Q298 VanDerWaalsContact C-N 3.33Å; H296-Q298 PolarHBondContact O-N 3.32Å; H296-D299 PolarHBondContact O-N 3.06Å; H296-F300 WeakPolarHBondContact O-CD2 3.44Å; H296-F300 PolarHBondContact O-N 2.76Å |
| 297 | V | 97.5 | Very high | 95.9 | Very high | 101 Ų | 101 | 101 Ų | 101 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 178 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | L293 K294 E295 A301 | L293-V297 VanDerWaalsContact O-CG2 3.25Å; L293-V297 WeakPolarHBondContact O-CG2 3.4Å; L293-V297 PolarHBondContact O-N 2.73Å; K294-V297 PolarHBondContact O-N 2.76Å; E295-V297 VanDerWaalsContact C-N 3.32Å; E295-V297 PolarHBondContact O-N 3.01Å; V297-A301 WeakPolarHBondContact O-CB 3.37Å; V297-A301 PolarHBondContact O-N 3.12Å |
| 298 | Q | 97 | Very high | 94.9 | Very high | 133 Ų | 133 | 106.7 Ų | 106.7 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.4 | -44.2 | 174.7 | -79.5 | 178.9 | -3.7 | 0 | 0 | 111.8 | K294 E295 H296 F300 A301 M302 | K294-Q298 PolarHBondContact O-N 2.74Å; E295-Q298 WeakPolarHBondContact O-CB 3.44Å; E295-Q298 PolarHBondContact O-N 3.28Å; E295-Q298 VanDerWaalsContact O-N 3.07Å; H296-Q298 VanDerWaalsContact C-N 3.33Å; H296-Q298 PolarHBondContact O-N 3.32Å; Q298-F300 VanDerWaalsContact C-N 3.34Å; Q298-F300 PolarHBondContact O-N 2.8Å; Q298-A301 WeakPolarHBondContact O-CB 3.38Å; Q298-A301 PolarHBondContact O-N 2.86Å; Q298-A301 VanDerWaalsContact O-N 3.15Å; Q298-M302 WeakPolarHBondContact O-CG 3.48Å; Q298-M302 PolarHBondContact O-N 3.48Å |
| 299 | D | 96.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 108.7 Ų | 108.7 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.2 | -44.8 | 177.3 | -67.4 | -24.2 | 0 | 0 | 0 | 111.3 | E295 H296 A301 M302 Q303 | E295-D299 PolarHBondContact O-N 2.85Å; H296-D299 PolarHBondContact O-N 3.06Å; D299-A301 VanDerWaalsContact C-N 3.35Å; D299-A301 PolarHBondContact O-N 3.13Å; D299-M302 PolarHBondContact O-N 3.08Å; D299-Q303 WeakPolarHBondContact O-CG 2.87Å; D299-Q303 PolarHBondContact O-N 2.99Å |
| 300 | F | 96.7 | Very high | 93.2 | Very high | 130 Ų | 130 | 111.7 Ų | 111.7 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.6 | -42.3 | 174 | -82.9 | -64.3 | 0 | 0 | 0 | 112.2 | H296 Q298 Q303 L304 | H296-F300 WeakPolarHBondContact O-CD2 3.44Å; H296-F300 PolarHBondContact O-N 2.76Å; Q298-F300 VanDerWaalsContact C-N 3.34Å; Q298-F300 PolarHBondContact O-N 2.8Å; F300-Q303 PolarHBondContact O-N 3.34Å; F300-L304 WeakPolarHBondContact O-CG 3.42Å; F300-L304 PolarHBondContact O-N 3.29Å |
| 301 | A | 95.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 108.5 Ų | 108.5 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.6 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V297 Q298 D299 L304 S305 | V297-A301 WeakPolarHBondContact O-CB 3.37Å; V297-A301 PolarHBondContact O-N 3.12Å; Q298-A301 WeakPolarHBondContact O-CB 3.38Å; Q298-A301 PolarHBondContact O-N 2.86Å; Q298-A301 VanDerWaalsContact O-N 3.15Å; D299-A301 VanDerWaalsContact C-N 3.35Å; D299-A301 PolarHBondContact O-N 3.13Å; A301-L304 PolarHBondContact O-N 3.49Å; A301-S305 PolarHBondContact O-N 2.89Å; A301-S305 VanDerWaalsContact O-N 3.09Å |
| 302 | M | 94.6 | Very high | 92.6 | Very high | 123 Ų | 123 | 108.1 Ų | 108.1 | 61% | 0.606 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.2 | -46.4 | 175.8 | -70.8 | -63.1 | -66.8 | 0 | 0 | 111.4 | Q298 D299 L304 S305 S306 | Q298-M302 WeakPolarHBondContact O-CG 3.48Å; Q298-M302 PolarHBondContact O-N 3.48Å; D299-M302 PolarHBondContact O-N 3.08Å; M302-L304 VanDerWaalsContact C-N 3.33Å; M302-L304 PolarHBondContact O-N 3.11Å; M302-S305 PolarHBondContact O-N 3.25Å; M302-S305 VanDerWaalsContact O-N 3.15Å; M302-S305 PolarHBondContact O-OG 3.27Å; M302-S306 PolarHBondContact O-N 3.36Å; M302-S306 PolarHBondContact O-OG 2.91Å |
| 303 | Q | 93.9 | Very high | 92.3 | Very high | 118 Ų | 118 | 110.7 Ų | 110.7 | 55% | 0.551 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.4 | -41.3 | 177.2 | -73.5 | 176.2 | -2.5 | 0 | 0 | 112.9 | D299 F300 S306 S307 | D299-Q303 WeakPolarHBondContact O-CG 2.87Å; D299-Q303 PolarHBondContact O-N 2.99Å; F300-Q303 PolarHBondContact O-N 3.34Å; Q303-S306 PolarHBondContact O-N 3.2Å; Q303-S307 PolarHBondContact O-N 3.34Å; Q303-S307 VanDerWaalsContact O-N 3.08Å; Q303-S307 PolarHBondContact O-OG 3.3Å |
| 304 | L | 94.3 | Very high | 92 | Very high | 115 Ų | 115 | 110.7 Ų | 110.7 | 60% | 0.602 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.2 | -41.9 | 175.6 | -73.3 | 170.6 | 0 | 0 | 0 | 111.6 | F300 A301 M302 S307 M308 | F300-L304 WeakPolarHBondContact O-CG 3.42Å; F300-L304 PolarHBondContact O-N 3.29Å; A301-L304 PolarHBondContact O-N 3.49Å; M302-L304 VanDerWaalsContact C-N 3.33Å; M302-L304 PolarHBondContact O-N 3.11Å; L304-S307 PolarHBondContact O-N 3.37Å; L304-M308 PolarHBondContact O-N 3.32Å |
| 305 | S | 92 | Very high | 91.5 | Very high | 64 Ų | 64 | 108.3 Ų | 108.3 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 177.7 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | A301 M302 S307 M308 A309 | A301-S305 PolarHBondContact O-N 2.89Å; A301-S305 VanDerWaalsContact O-N 3.09Å; M302-S305 PolarHBondContact O-N 3.25Å; M302-S305 VanDerWaalsContact O-N 3.15Å; M302-S305 PolarHBondContact O-OG 3.27Å; S305-S307 VanDerWaalsContact C-N 3.3Å; S305-S307 PolarHBondContact O-N 2.94Å; S305-M308 PolarHBondContact O-N 2.96Å; S305-A309 PolarHBondContact O-N 3.17Å |
| 306 | S | 89.9 | Confident | 91.1 | Very high | 84 Ų | 84 | 109.8 Ų | 109.8 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.2 | -21.5 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | M302 Q303 | M302-S306 PolarHBondContact O-N 3.36Å; M302-S306 PolarHBondContact O-OG 2.91Å; Q303-S306 PolarHBondContact O-N 3.2Å |
| 307 | S | 86 | Confident | 90.6 | Very high | 100 Ų | 100 | 110.1 Ų | 110.1 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -85.2 | -15.3 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | Q303 L304 S305 | Q303-S307 PolarHBondContact O-N 3.34Å; Q303-S307 VanDerWaalsContact O-N 3.08Å; Q303-S307 PolarHBondContact O-OG 3.3Å; L304-S307 PolarHBondContact O-N 3.37Å; S305-S307 VanDerWaalsContact C-N 3.3Å; S305-S307 PolarHBondContact O-N 2.94Å |
| 308 | M | 77.4 | Confident | 90 | Very high | 172 Ų | 172 | 110.8 Ų | 110.8 | 85% | 0.847 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -103.6 | -7.1 | 179.4 | -69.1 | -155.4 | 174.8 | 0 | 0 | 114 | L304 S305 | L304-M308 PolarHBondContact O-N 3.32Å; S305-M308 PolarHBondContact O-N 2.96Å |
| 309 | A | 66.6 | Low | 89.4 | Confident | 141 Ų | 141 | 108.8 Ų | 108.8 | 100% | 1.165 | 64% | 0.64 | S | S | * | * | trans | -96.6 | 0 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S305 | S305-A309 PolarHBondContact O-N 3.17Š|
Retrieved 309 of 309 residues in 88.4 ms
(Link to these results)