| 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 | 60.1 | Low | 86.9 | Confident | 210 Ų | 210 | 49.6 Ų | 49.6 | 100% | 1.034 | 28% | 0.283 | S | S | * | . | 0 | 140.4 | 0 | -173 | 168.5 | 64.8 | 0 | 0 | 107.3 | |||||
| 2 | V | 76 | Confident | 87.2 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | trans | -77.6 | 131.5 | -178.5 | -178.4 | 0 | 0 | 0 | 0 | 110 | I4 L7 Y64 E117 L120 | V2-I4 VanDerWaalsContact C-N 3.26Å; V2-I4 HydrophobicContact CB-CD1 4.02Å; V2-I4 HydrophobicContact CB-CG1 4.43Å; V2-I4 HydrophobicContact CG1-CD1 3.61Å; V2-I4 HydrophobicContact CG1-CG1 4.32Å; V2-I4 PolarHBondContact O-N 3.37Å; V2-L7 HydrophobicContact CG1-CD1 3.81Å; V2-L7 HydrophobicContact CG1-CG 4.33Å; V2-Y64 HydrophobicContact CB-CE1 3.98Å; V2-Y64 HydrophobicContact CG2-CE1 4.13Å; V2-Y64 WeakPolarHBondContact CG2-OH 3.48Å; V2-E117 WeakPolarHBondContact CA-OE2 3.46Å; V2-E117 HydrophobicContact CG1-CB 4.25Å; V2-L120 HydrophobicContact CG2-CB 3.37Å; V2-L120 HydrophobicContact CG2-CD1 4.11Å; V2-L120 HydrophobicContact CG2-CG 4.38Å | ||
| 3 | S | 84.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | trans | -76 | 77.9 | 171.5 | -53.7 | 0 | 0 | 0 | 0 | 109.6 | G5 V6 E117 | S3-G5 PolarHBondContact O-N 2.96Å; S3-V6 WeakPolarHBondContact O-CB 2.89Å; S3-V6 PolarHBondContact O-N 3.28Å; S3-E117 VanDerWaalsContact CB-OE1 3.31Å; S3-E117 WeakPolarHBondContact CB-OE1 3.39Å; S3-E117 VanDerWaalsContact N-CD 3.27Å; S3-E117 PolarHBondContact N-OE2 3.05Å; S3-E117 PolarHBondContact OG-OE1 3.04Å | ||
| 4 | I | 89.9 | Confident | 87.5 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.7 | -26.9 | -175.6 | -65.4 | -60.4 | 0 | 0 | 0 | 113.3 | V2 V6 L7 K8 V61 Y64 | V2-I4 VanDerWaalsContact C-N 3.26Å; V2-I4 HydrophobicContact CB-CD1 4.02Å; V2-I4 HydrophobicContact CB-CG1 4.43Å; V2-I4 HydrophobicContact CG1-CD1 3.61Å; V2-I4 HydrophobicContact CG1-CG1 4.32Å; V2-I4 PolarHBondContact O-N 3.37Å; I4-V6 VanDerWaalsContact C-N 3.26Å; I4-V6 PolarHBondContact O-N 3.06Å; I4-L7 HydrophobicContact CD1-CD1 3.85Å; I4-L7 PolarHBondContact O-N 3.14Å; I4-L7 VanDerWaalsContact O-N 3.15Å; I4-K8 HydrophobicContact CG2-CD 3.92Å; I4-K8 HydrophobicContact CG2-CG 4.01Å; I4-K8 WeakPolarHBondContact O-CG 3.33Å; I4-K8 PolarHBondContact O-N 3.08Å; I4-V61 HydrophobicContact CG2-CG1 4.17Å; I4-V61 WeakPolarHBondContact CG2-O 3.44Å; I4-Y64 HydrophobicContact CD1-CD1 3.41Å; I4-Y64 VanDerWaalsContact CD1-CD1 3.41Å; I4-Y64 HydrophobicContact CD1-CD2 3.72Å; I4-Y64 HydrophobicContact CD1-CE1 3.97Å; I4-Y64 HydrophobicContact CD1-CE2 4.24Å; I4-Y64 HydrophobicContact CD1-CG 3.25Å; I4-Y64 HydrophobicContact CG1-CD1 3.63Å; I4-Y64 HydrophobicContact CG1-CE1 4.34Å; I4-Y64 HydrophobicContact CG1-CG 3.87Å |
| 5 | G | 90 | Very high | 87.3 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -55.2 | -39 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S3 K8 D9 | S3-G5 PolarHBondContact O-N 2.96Å; G5-K8 PolarHBondContact O-N 3.43Å; G5-D9 WeakPolarHBondContact O-CB 3.39Å; G5-D9 PolarHBondContact O-N 2.9Å |
| 6 | V | 91 | Very high | 86.6 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 21% | 0.212 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | S3 I4 K8 D9 H10 E114 | S3-V6 WeakPolarHBondContact O-CB 2.89Å; S3-V6 PolarHBondContact O-N 3.28Å; I4-V6 VanDerWaalsContact C-N 3.26Å; I4-V6 PolarHBondContact O-N 3.06Å; V6-K8 VanDerWaalsContact C-N 3.34Å; V6-K8 PolarHBondContact O-N 3.13Å; V6-D9 PolarHBondContact O-N 3.2Å; V6-H10 WeakPolarHBondContact O-CB 3.41Å; V6-H10 PolarHBondContact O-CD2 2.74Å; V6-H10 PolarHBondContact O-N 2.65Å; V6-E114 HydrophobicContact CG1-CB 4.05Å; V6-E114 HydrophobicContact CG1-CG 3.71Å |
| 7 | L | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | -178.2 | -50 | -170.3 | 0 | 0 | 0 | 111.2 | V2 I4 H10 L11 V61 E117 W118 F121 | V2-L7 HydrophobicContact CG1-CD1 3.81Å; V2-L7 HydrophobicContact CG1-CG 4.33Å; I4-L7 HydrophobicContact CD1-CD1 3.85Å; I4-L7 PolarHBondContact O-N 3.14Å; I4-L7 VanDerWaalsContact O-N 3.15Å; L7-H10 PolarHBondContact O-N 3.04Å; L7-L11 WeakPolarHBondContact O-CB 3.16Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 3.48Å; L7-V61 HydrophobicContact CB-CG1 3.58Å; L7-V61 HydrophobicContact CB-CG2 4.17Å; L7-V61 HydrophobicContact CD1-CG1 4.46Å; L7-V61 HydrophobicContact CD1-CG2 4.16Å; L7-E117 HydrophobicContact CD2-CB 3.89Å; L7-W118 HydrophobicContact CB-CH2 4.43Å; L7-W118 HydrophobicContact CB-CZ2 4.1Å; L7-W118 HydrophobicContact CD2-CB 4.47Å; L7-W118 HydrophobicContact CD2-CD2 3.6Å; L7-W118 VanDerWaalsContact CD2-CE2 3.46Å; L7-W118 HydrophobicContact CD2-CE3 4.23Å; L7-W118 HydrophobicContact CD2-CG 3.68Å; L7-W118 HydrophobicContact CD2-CZ2 4Å; L7-F121 HydrophobicContact CD1-CB 3.66Å; L7-F121 HydrophobicContact CD1-CD2 3.99Å; L7-F121 HydrophobicContact CD1-CG 3.93Å |
| 8 | K | 94 | Very high | 85.8 | Confident | 87 Ų | 87 | 60.4 Ų | 60.4 | 38% | 0.378 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.4 | -73 | -179.3 | 174.6 | -178.5 | 0 | 111.7 | I4 G5 V6 L11 S12 V61 N62 | I4-K8 HydrophobicContact CG2-CD 3.92Å; I4-K8 HydrophobicContact CG2-CG 4.01Å; I4-K8 WeakPolarHBondContact O-CG 3.33Å; I4-K8 PolarHBondContact O-N 3.08Å; G5-K8 PolarHBondContact O-N 3.43Å; V6-K8 VanDerWaalsContact C-N 3.34Å; V6-K8 PolarHBondContact O-N 3.13Å; K8-L11 PolarHBondContact O-N 2.69Å; K8-S12 WeakPolarHBondContact O-CB 3.36Å; K8-S12 PolarHBondContact O-N 2.85Å; K8-V61 HydrophobicContact CG-CG1 3.77Å; K8-N62 VanDerWaalsContact CE-OD1 3.23Å; K8-N62 WeakPolarHBondContact CE-OD1 2.97Å |
| 9 | D | 92.1 | Very high | 85.6 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 175.4 | 175.4 | 74.4 | 0 | 0 | 0 | 111.3 | G5 V6 L11 S12 K13 | G5-D9 WeakPolarHBondContact O-CB 3.39Å; G5-D9 PolarHBondContact O-N 2.9Å; V6-D9 PolarHBondContact O-N 3.2Å; D9-L11 PolarHBondContact O-N 3.1Å; D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 3.42Å; D9-S12 PolarHBondContact O-OG 2.95Å; D9-K13 PolarHBondContact O-N 3.47Å; D9-K13 IonicContact OD1-NZ 3.6Å; D9-K13 WeakPolarHBondContact OD2-CE 3.49Å; D9-K13 IonicContact OD2-NZ 3.7Å; D9-K13 PolarHBondContact OD2-NZ 2.69Å |
| 10 | H | 93.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 178.1 | -76.7 | -156.4 | 0 | 0 | 0 | 112.3 | V6 L7 K13 C14 I102 I106 W110 E114 W118 | V6-H10 WeakPolarHBondContact O-CB 3.41Å; V6-H10 PolarHBondContact O-CD2 2.74Å; V6-H10 PolarHBondContact O-N 2.65Å; L7-H10 PolarHBondContact O-N 3.04Å; H10-K13 PolarHBondContact O-N 3.44Å; H10-C14 PolarHBondContact O-SG 2.78Å; H10-C14 VanDerWaalsContact O-SG 3.39Å; H10-I102 HydrophobicContact CB-CG2 3.86Å; H10-I106 HydrophobicContact CB-CD1 3.75Å; H10-I106 VanDerWaalsContact CG-CD1 3.47Å; H10-W110 AromaticContact CE1-CD1 3.96Å; H10-W110 AromaticContact CE1-CD2 3.71Å; H10-W110 AromaticContact CE1-CE2 3.53Å; H10-W110 AromaticContact CE1-CZ2 3.97Å; H10-W110 AromaticContact CE1-NE1 3.66Å; H10-W110 AromaticContact ND1-CE2 3.52Å; H10-W110 AromaticContact ND1-CH2 3.9Å; H10-W110 AromaticContact ND1-CZ2 3.47Å; H10-W110 WeakPolarHBondContact ND1-CZ2 3.5Å; H10-W110 AromaticContact ND1-NE1 3.9Å; H10-E114 IonicContact NE2-OE1 2.61Å; H10-W118 HydrophobicContact CB-CZ2 4.1Å; H10-W118 AromaticContact CE1-NE1 3.95Å; H10-W118 AromaticContact CG-NE1 3.9Å; H10-W118 AromaticContact ND1-CD1 3.92Å; H10-W118 AromaticContact ND1-NE1 3.11Å; H10-W118 PolarHBondContact ND1-NE1 3.31Å; H10-W118 VanDerWaalsContact ND1-NE1 3.11Å |
| 11 | L | 92.3 | Very high | 85.4 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72 | -28.1 | 179 | -72.9 | 168.8 | 0 | 0 | 0 | 113 | L7 K8 D9 K13 C14 L54 V61 I102 W118 | L7-L11 WeakPolarHBondContact O-CB 3.16Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 3.48Å; K8-L11 PolarHBondContact O-N 2.69Å; D9-L11 PolarHBondContact O-N 3.1Å; L11-K13 PolarHBondContact O-N 3.16Å; L11-C14 WeakPolarHBondContact O-CA 3.17Å; L11-C14 WeakPolarHBondContact O-CB 3.31Å; L11-C14 PolarHBondContact O-N 2.88Å; L11-L54 HydrophobicContact CD2-CD1 4.01Å; L11-V61 HydrophobicContact CD1-CB 3.74Å; L11-V61 HydrophobicContact CD1-CG1 3.95Å; L11-V61 HydrophobicContact CD1-CG2 3.63Å; L11-I102 HydrophobicContact CD2-CD1 3.89Å; L11-I102 HydrophobicContact CD2-CG1 4.44Å; L11-W118 HydrophobicContact CD1-CH2 3.99Å; L11-W118 HydrophobicContact CD2-CH2 4.07Å; L11-W118 HydrophobicContact CG-CH2 3.89Å; L11-W118 HydrophobicContact CG-CZ2 4.17Å |
| 12 | S | 90.8 | Very high | 86.4 | Confident | 85 Ų | 85 | 48.4 Ų | 48.4 | 59% | 0.594 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62 | -27.1 | 175.4 | 79.9 | 0 | 0 | 0 | 0 | 112.6 | K8 D9 C14 | K8-S12 WeakPolarHBondContact O-CB 3.36Å; K8-S12 PolarHBondContact O-N 2.85Å; D9-S12 WeakPolarHBondContact O-CB 3.47Å; D9-S12 PolarHBondContact O-N 3.42Å; D9-S12 PolarHBondContact O-OG 2.95Å; S12-C14 VanDerWaalsContact C-N 3.26Å |
| 13 | K | 90.2 | Very high | 86.7 | Confident | 93 Ų | 93 | 50.6 Ų | 50.6 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -7.6 | 174.6 | -62.8 | 164.2 | -178.5 | 160.5 | 0 | 112.7 | D9 H10 L11 I106 | D9-K13 PolarHBondContact O-N 3.47Å; D9-K13 IonicContact OD1-NZ 3.6Å; D9-K13 WeakPolarHBondContact OD2-CE 3.49Å; D9-K13 IonicContact OD2-NZ 3.7Å; D9-K13 PolarHBondContact OD2-NZ 2.69Å; H10-K13 PolarHBondContact O-N 3.44Å; L11-K13 PolarHBondContact O-N 3.16Å; K13-I106 HydrophobicContact CB-CG1 4.28Å; K13-I106 HydrophobicContact CD-CD1 4.23Å; K13-I106 HydrophobicContact CD-CG1 3.78Å; K13-I106 HydrophobicContact CD-CG2 4.38Å |
| 14 | C | 88.5 | Confident | 86.7 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -105 | 74 | -177.9 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | H10 L11 S12 L16 L54 F101 | H10-C14 PolarHBondContact O-SG 2.78Å; H10-C14 VanDerWaalsContact O-SG 3.39Å; L11-C14 WeakPolarHBondContact O-CA 3.17Å; L11-C14 WeakPolarHBondContact O-CB 3.31Å; L11-C14 PolarHBondContact O-N 2.88Å; S12-C14 VanDerWaalsContact C-N 3.26Å; C14-L16 PolarHBondContact O-N 2.94Å; C14-L54 HydrophobicContact CB-CD1 4.37Å; C14-L54 HydrophobicContact CB-CD2 4.41Å; C14-F101 HydrophobicContact CB-CE1 3.92Å |
| 15 | T | 83.3 | Confident | 86.2 | Confident | 97 Ų | 97 | 48.7 Ų | 48.7 | 60% | 0.595 | 27% | 0.271 | S | S | * | . | trans | -53.6 | 132.7 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | S17 N20 | T15-S17 PolarHBondContact O-N 3.05Å; T15-S17 VanDerWaalsContact O-N 3.16Å; T15-N20 PolarHBondContact O-ND2 2.85Å | ||
| 16 | L | 77.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | trans | -70.7 | 110.5 | 173.1 | -69.2 | 170.7 | 0 | 0 | 0 | 109.6 | C14 L54 N55 | C14-L16 PolarHBondContact O-N 2.94Å; L16-L54 HydrophobicContact CD2-CB 3.94Å; L16-L54 HydrophobicContact CD2-CD2 3.81Å; L16-L54 HydrophobicContact CD2-CG 3.66Å; L16-N55 HydrophobicContact CD1-CB 4.39Å; L16-N55 HydrophobicContact CD2-CB 4.15Å | ||
| 17 | S | 79.9 | Confident | 84.5 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | trans | -145.7 | 159.3 | 174.3 | 74.4 | 0 | 0 | 0 | 0 | 110.3 | T15 E19 N20 G21 | T15-S17 PolarHBondContact O-N 3.05Å; T15-S17 VanDerWaalsContact O-N 3.16Å; S17-E19 VanDerWaalsContact C-N 3.26Å; S17-E19 PolarHBondContact O-N 2.97Å; S17-N20 PolarHBondContact O-N 3.08Å; S17-N20 WeakPolarHBondContact OG-CB 3.34Å; S17-N20 PolarHBondContact OG-N 2.93Å; S17-N20 VanDerWaalsContact OG-N 3.12Å; S17-G21 PolarHBondContact O-N 2.95Å | ||
| 18 | M | 78.4 | Confident | 83.1 | Confident | 125 Ų | 125 | 52.7 Ų | 52.7 | 62% | 0.616 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | 175.2 | -75.1 | -174 | -75.6 | 0 | 0 | 111.6 | G21 G22 Q47 | M18-G21 PolarHBondContact O-N 2.85Å; M18-G22 PolarHBondContact O-N 3.38Å; M18-Q47 HydrophobicContact CB-CB 4.36Å; M18-Q47 WeakPolarHBondContact O-CB 3.41Å; M18-Q47 VanDerWaalsContact O-CG 3.31Å; M18-Q47 WeakPolarHBondContact O-CG 3.42Å |
| 19 | E | 81.4 | Confident | 81.4 | Confident | 125 Ų | 125 | 50.1 Ų | 50.1 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.2 | -47.8 | 176.5 | -172.2 | -165.6 | 148.4 | 0 | 0 | 111.9 | S17 G21 G22 Q23 | S17-E19 VanDerWaalsContact C-N 3.26Å; S17-E19 PolarHBondContact O-N 2.97Å; E19-G21 VanDerWaalsContact C-N 3.28Å; E19-G21 PolarHBondContact O-N 3.38Å; E19-G22 PolarHBondContact O-N 2.9Å; E19-G22 VanDerWaalsContact O-N 3.15Å; E19-Q23 WeakPolarHBondContact O-CG 3.23Å; E19-Q23 PolarHBondContact O-N 3.45Å; E19-Q23 PolarHBondContact OE1-NE2 3.17Å |
| 20 | N | 83.4 | Confident | 79.4 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -33.1 | 178.6 | -80 | -3.6 | 0 | 0 | 0 | 112.1 | T15 S17 Q23 L24 F101 K105 | T15-N20 PolarHBondContact O-ND2 2.85Å; S17-N20 PolarHBondContact O-N 3.08Å; S17-N20 WeakPolarHBondContact OG-CB 3.34Å; S17-N20 PolarHBondContact OG-N 2.93Å; S17-N20 VanDerWaalsContact OG-N 3.12Å; N20-Q23 PolarHBondContact O-N 3.45Å; N20-Q23 PolarHBondContact OD1-OE1 3.15Å; N20-L24 WeakPolarHBondContact O-CB 3.43Å; N20-L24 PolarHBondContact O-N 3.5Å; N20-F101 HydrophobicContact CB-CE2 4.08Å; N20-F101 HydrophobicContact CB-CZ 3.75Å; N20-F101 WeakPolarHBondContact O-CE2 3.46Å; N20-K105 WeakPolarHBondContact OD1-CE 3.41Å; N20-K105 PolarHBondContact OD1-NZ 3.31Å |
| 21 | G | 83.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | S17 M18 E19 Q23 L24 F25 Q47 G50 G51 | S17-G21 PolarHBondContact O-N 2.95Å; M18-G21 PolarHBondContact O-N 2.85Å; E19-G21 VanDerWaalsContact C-N 3.28Å; E19-G21 PolarHBondContact O-N 3.38Å; G21-Q23 PolarHBondContact O-N 2.67Å; G21-L24 PolarHBondContact O-N 3.13Å; G21-F25 PolarHBondContact O-N 3.15Å; G21-Q47 WeakPolarHBondContact CA-O 3.4Å; G21-G50 WeakPolarHBondContact O-CA 3.48Å; G21-G51 VanDerWaalsContact CA-N 3.32Å |
| 22 | G | 81.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | M18 E19 F25 K26 | M18-G22 PolarHBondContact O-N 3.38Å; E19-G22 PolarHBondContact O-N 2.9Å; E19-G22 VanDerWaalsContact O-N 3.15Å; G22-F25 PolarHBondContact O-N 3.46Å; G22-K26 VanDerWaalsContact O-CB 3.29Å; G22-K26 WeakPolarHBondContact O-CB 3.4Å; G22-K26 PolarHBondContact O-N 3.41Å |
| 23 | Q | 82.4 | Confident | 73.3 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 177.8 | -72.3 | 173.3 | 8.8 | 0 | 0 | 112.8 | E19 N20 G21 F25 K26 Q27 F101 K105 | E19-Q23 WeakPolarHBondContact O-CG 3.23Å; E19-Q23 PolarHBondContact O-N 3.45Å; E19-Q23 PolarHBondContact OE1-NE2 3.17Å; N20-Q23 PolarHBondContact O-N 3.45Å; N20-Q23 PolarHBondContact OD1-OE1 3.15Å; G21-Q23 PolarHBondContact O-N 2.67Å; Q23-F25 VanDerWaalsContact C-N 3.35Å; Q23-K26 WeakPolarHBondContact O-CB 3.44Å; Q23-K26 PolarHBondContact O-N 3.08Å; Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.29Å; Q23-F101 HydrophobicContact CB-CD2 4.26Å; Q23-F101 HydrophobicContact CB-CE2 4.08Å; Q23-K105 VanDerWaalsContact OE1-CE 3.29Å |
| 24 | L | 84.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.8 | 173.4 | 58.3 | 0 | 0 | 0 | 111.4 | N20 G21 K26 Q27 R28 G50 L53 L54 G97 I98 F101 | N20-L24 WeakPolarHBondContact O-CB 3.43Å; N20-L24 PolarHBondContact O-N 3.5Å; G21-L24 PolarHBondContact O-N 3.13Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-Q27 PolarHBondContact O-N 3.44Å; L24-R28 PolarHBondContact O-N 3.44Å; L24-G50 WeakPolarHBondContact CD2-O 3.49Å; L24-L53 HydrophobicContact CD2-CB 4.34Å; L24-L53 HydrophobicContact CD2-CD2 4.15Å; L24-L53 HydrophobicContact CD2-CG 4.28Å; L24-L53 HydrophobicContact CG-CD2 4.44Å; L24-L54 HydrophobicContact CD2-CB 3.79Å; L24-G97 WeakPolarHBondContact CD1-O 3.3Å; L24-I98 HydrophobicContact CD1-CD1 3.72Å; L24-I98 HydrophobicContact CD1-CG1 4.21Å; L24-I98 HydrophobicContact CD2-CD1 3.62Å; L24-I98 HydrophobicContact CG-CD1 4.32Å; L24-F101 HydrophobicContact CB-CB 4.46Å; L24-F101 HydrophobicContact CB-CD1 4.42Å; L24-F101 HydrophobicContact CB-CD2 3.94Å; L24-F101 HydrophobicContact CB-CE2 4.33Å; L24-F101 HydrophobicContact CB-CG 4Å; L24-F101 HydrophobicContact CD1-CB 3.61Å; L24-F101 HydrophobicContact CD1-CD1 4.27Å; L24-F101 HydrophobicContact CD1-CG 3.93Å; L24-F101 HydrophobicContact CG-CG 4.48Å |
| 25 | F | 78.3 | Confident | 70.1 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 176.5 | -168.2 | -82.3 | 0 | 0 | 0 | 111.5 | G21 G22 Q23 Q27 R28 F29 E33 I35 I46 A49 | G21-F25 PolarHBondContact O-N 3.15Å; G22-F25 PolarHBondContact O-N 3.46Å; Q23-F25 VanDerWaalsContact C-N 3.35Å; F25-Q27 VanDerWaalsContact C-N 3.27Å; F25-Q27 PolarHBondContact O-N 3.08Å; F25-R28 PolarHBondContact O-N 3.33Å; F25-F29 HydrophobicContact CD1-CB 4.08Å; F25-F29 AromaticContact CD1-CD2 3.67Å; F25-F29 HydrophobicContact CD1-CD2 3.67Å; F25-F29 HydrophobicContact CD1-CG 4.27Å; F25-F29 AromaticContact CD2-CD2 3.46Å; F25-F29 HydrophobicContact CD2-CD2 3.46Å; F25-F29 VanDerWaalsContact CD2-CD2 3.46Å; F25-F29 AromaticContact CD2-CE2 3.49Å; F25-F29 HydrophobicContact CD2-CE2 3.49Å; F25-F29 VanDerWaalsContact CD2-CE2 3.49Å; F25-F29 HydrophobicContact CE1-CB 3.63Å; F25-F29 AromaticContact CE1-CD2 3.49Å; F25-F29 HydrophobicContact CE1-CD2 3.49Å; F25-F29 VanDerWaalsContact CE1-CD2 3.49Å; F25-F29 HydrophobicContact CE1-CE2 4.3Å; F25-F29 AromaticContact CE1-CG 3.77Å; F25-F29 HydrophobicContact CE1-CG 3.77Å; F25-F29 AromaticContact CE2-CD2 3.27Å; F25-F29 HydrophobicContact CE2-CD2 3.27Å; F25-F29 AromaticContact CE2-CE2 3.2Å; F25-F29 HydrophobicContact CE2-CE2 3.2Å; F25-F29 HydrophobicContact CE2-CG 4.13Å; F25-F29 HydrophobicContact CE2-CZ 4.06Å; F25-F29 AromaticContact CG-CD2 3.65Å; F25-F29 HydrophobicContact CG-CD2 3.65Å; F25-F29 HydrophobicContact CG-CE2 4.15Å; F25-F29 HydrophobicContact CZ-CB 4.06Å; F25-F29 HydrophobicContact CZ-CD1 4.42Å; F25-F29 AromaticContact CZ-CD2 3.27Å; F25-F29 HydrophobicContact CZ-CD2 3.27Å; F25-F29 AromaticContact CZ-CE2 3.66Å; F25-F29 HydrophobicContact CZ-CE2 3.66Å; F25-F29 AromaticContact CZ-CG 3.69Å; F25-F29 HydrophobicContact CZ-CG 3.69Å; F25-F29 HydrophobicContact CZ-CZ 4.38Å; F25-F29 PolarHBondContact O-N 3.43Å; F25-E33 WeakPolarHBondContact CZ-OE2 3.36Å; F25-I35 HydrophobicContact CE1-CD1 4.17Å; F25-I46 HydrophobicContact CB-CG2 3.6Å; F25-I46 HydrophobicContact CD1-CB 4.3Å; F25-I46 HydrophobicContact CD1-CD1 4.41Å; F25-I46 HydrophobicContact CD1-CG1 4.19Å; F25-I46 HydrophobicContact CD1-CG2 3.38Å; F25-I46 HydrophobicContact CD2-CG2 4.13Å; F25-I46 HydrophobicContact CE1-CD1 4.09Å; F25-I46 HydrophobicContact CE1-CG1 3.93Å; F25-I46 HydrophobicContact CE1-CG2 4.03Å; F25-I46 HydrophobicContact CG-CB 4.38Å; F25-I46 HydrophobicContact CG-CG2 3.45Å; F25-I46 VanDerWaalsContact CG-CG2 3.45Å; F25-I46 HydrophobicContact CZ-CG1 4.14Å; F25-A49 HydrophobicContact CD2-CB 4.03Å; F25-A49 HydrophobicContact CE2-CB 4.11Å |
| 26 | K | 74.2 | Confident | 69.1 | Low | 69 Ų | 69 | 67 Ų | 67 | 30% | 0.3 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -52.1 | -40.9 | 171.6 | 148.7 | 150.7 | -139.4 | 165.2 | 0 | 112.2 | G22 Q23 L24 R28 Y30 | G22-K26 VanDerWaalsContact O-CB 3.29Å; G22-K26 WeakPolarHBondContact O-CB 3.4Å; G22-K26 PolarHBondContact O-N 3.41Å; Q23-K26 WeakPolarHBondContact O-CB 3.44Å; Q23-K26 PolarHBondContact O-N 3.08Å; L24-K26 VanDerWaalsContact C-N 3.33Å; K26-R28 VanDerWaalsContact C-N 3.31Å; K26-R28 PolarHBondContact O-N 2.93Å; K26-Y30 HydrophobicContact CB-CE2 3.89Å; K26-Y30 WeakPolarHBondContact CB-OH 3.47Å; K26-Y30 HydrophobicContact CD-CE2 3.84Å; K26-Y30 WeakPolarHBondContact CD-OH 3.28Å; K26-Y30 WeakPolarHBondContact CE-OH 3.34Å; K26-Y30 HydrophobicContact CG-CD2 4.43Å; K26-Y30 HydrophobicContact CG-CE2 3.39Å; K26-Y30 WeakPolarHBondContact CG-OH 3.28Å; K26-Y30 PolarHBondContact NZ-OH 3.01Å; K26-Y30 WeakPolarHBondContact O-CD2 3.44Å; K26-Y30 WeakPolarHBondContact O-CE2 3.36Å |
| 27 | Q | 70.9 | Confident | 68.3 | Low | 75 Ų | 75 | 65.2 Ų | 65.2 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.1 | -19 | 175.3 | -62.3 | -68 | -33.9 | 0 | 0 | 114.1 | Q23 L24 F25 Q100 F101 | Q23-Q27 WeakPolarHBondContact O-CG 3.41Å; Q23-Q27 PolarHBondContact O-N 3.29Å; L24-Q27 PolarHBondContact O-N 3.44Å; F25-Q27 VanDerWaalsContact C-N 3.27Å; F25-Q27 PolarHBondContact O-N 3.08Å; Q27-Q100 HydrophobicContact CB-CB 4.49Å; Q27-Q100 HydrophobicContact CG-CB 4.43Å; Q27-F101 HydrophobicContact CG-CB 4.4Å |
| 28 | R | 64.8 | Low | 67.6 | Low | 29 Ų | 29 | 68 Ų | 68 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -96.4 | -40.7 | -174.3 | 178.7 | 173.2 | 171.8 | -170.7 | 2.6 | 114 | L24 F25 K26 | L24-R28 PolarHBondContact O-N 3.44Å; F25-R28 PolarHBondContact O-N 3.33Å; K26-R28 VanDerWaalsContact C-N 3.31Å; K26-R28 PolarHBondContact O-N 2.93Å |
| 29 | F | 58.1 | Low | 67 | Low | 34 Ų | 34 | 66 Ų | 66 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -113.8 | 0.7 | -159.6 | -71.7 | -78.7 | 0 | 0 | 0 | 116.2 | F25 D31 V32 E33 | F25-F29 HydrophobicContact CD1-CB 4.08Å; F25-F29 AromaticContact CD1-CD2 3.67Å; F25-F29 HydrophobicContact CD1-CD2 3.67Å; F25-F29 HydrophobicContact CD1-CG 4.27Å; F25-F29 AromaticContact CD2-CD2 3.46Å; F25-F29 HydrophobicContact CD2-CD2 3.46Å; F25-F29 VanDerWaalsContact CD2-CD2 3.46Å; F25-F29 AromaticContact CD2-CE2 3.49Å; F25-F29 HydrophobicContact CD2-CE2 3.49Å; F25-F29 VanDerWaalsContact CD2-CE2 3.49Å; F25-F29 HydrophobicContact CE1-CB 3.63Å; F25-F29 AromaticContact CE1-CD2 3.49Å; F25-F29 HydrophobicContact CE1-CD2 3.49Å; F25-F29 VanDerWaalsContact CE1-CD2 3.49Å; F25-F29 HydrophobicContact CE1-CE2 4.3Å; F25-F29 AromaticContact CE1-CG 3.77Å; F25-F29 HydrophobicContact CE1-CG 3.77Å; F25-F29 AromaticContact CE2-CD2 3.27Å; F25-F29 HydrophobicContact CE2-CD2 3.27Å; F25-F29 AromaticContact CE2-CE2 3.2Å; F25-F29 HydrophobicContact CE2-CE2 3.2Å; F25-F29 HydrophobicContact CE2-CG 4.13Å; F25-F29 HydrophobicContact CE2-CZ 4.06Å; F25-F29 AromaticContact CG-CD2 3.65Å; F25-F29 HydrophobicContact CG-CD2 3.65Å; F25-F29 HydrophobicContact CG-CE2 4.15Å; F25-F29 HydrophobicContact CZ-CB 4.06Å; F25-F29 HydrophobicContact CZ-CD1 4.42Å; F25-F29 AromaticContact CZ-CD2 3.27Å; F25-F29 HydrophobicContact CZ-CD2 3.27Å; F25-F29 AromaticContact CZ-CE2 3.66Å; F25-F29 HydrophobicContact CZ-CE2 3.66Å; F25-F29 AromaticContact CZ-CG 3.69Å; F25-F29 HydrophobicContact CZ-CG 3.69Å; F25-F29 HydrophobicContact CZ-CZ 4.38Å; F25-F29 PolarHBondContact O-N 3.43Å; F29-D31 PolarHBondContact O-N 2.93Å; F29-V32 HydrophobicContact CD1-CB 4.19Å; F29-V32 HydrophobicContact CD1-CG2 4.47Å; F29-V32 PolarHBondContact O-N 3.39Å; F29-E33 PolarHBondContact O-N 3.33Å |
| 30 | Y | 50.3 | Low | 66.2 | Low | 78 Ų | 78 | 60.2 Ų | 60.2 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.1 | 178.8 | -77.2 | -47.3 | 0 | 0 | 0 | 115 | K26 V32 P37 T40 | K26-Y30 HydrophobicContact CB-CE2 3.89Å; K26-Y30 WeakPolarHBondContact CB-OH 3.47Å; K26-Y30 HydrophobicContact CD-CE2 3.84Å; K26-Y30 WeakPolarHBondContact CD-OH 3.28Å; K26-Y30 WeakPolarHBondContact CE-OH 3.34Å; K26-Y30 HydrophobicContact CG-CD2 4.43Å; K26-Y30 HydrophobicContact CG-CE2 3.39Å; K26-Y30 WeakPolarHBondContact CG-OH 3.28Å; K26-Y30 PolarHBondContact NZ-OH 3.01Å; K26-Y30 WeakPolarHBondContact O-CD2 3.44Å; K26-Y30 WeakPolarHBondContact O-CE2 3.36Å; Y30-V32 VanDerWaalsContact C-N 3.28Å; Y30-P37 HydrophobicContact CD1-CG 4.15Å; Y30-P37 VanDerWaalsContact CE1-CA 3.44Å; Y30-P37 HydrophobicContact CE1-CB 3.69Å; Y30-P37 HydrophobicContact CE1-CG 3.53Å; Y30-P37 HydrophobicContact CE2-CB 4.23Å; Y30-P37 HydrophobicContact CE2-CG 4.37Å; Y30-P37 VanDerWaalsContact CZ-CA 3.47Å; Y30-P37 VanDerWaalsContact CZ-CB 3.44Å; Y30-P37 WeakPolarHBondContact OH-CA 3.29Å; Y30-P37 WeakPolarHBondContact OH-CB 3.33Å; Y30-P37 PolarHBondContact OH-O 2.85Å; Y30-T40 HydrophobicContact CE1-CG2 3.91Å; Y30-T40 PolarHBondContact OH-OG1 3.24Å |
| 31 | D | 50.3 | Low | 65.1 | Low | 166 Ų | 166 | 62.7 Ų | 62.7 | 89% | 0.888 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8 | 173.3 | -77.8 | -29.3 | 0 | 0 | 0 | 113 | F29 | F29-D31 PolarHBondContact O-N 2.93Š|
| 32 | V | 47.2 | Very low | 64.4 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -35.2 | -170 | -168.6 | 0 | 0 | 0 | 0 | 112.8 | F29 Y30 K93 | F29-V32 HydrophobicContact CD1-CB 4.19Å; F29-V32 HydrophobicContact CD1-CG2 4.47Å; F29-V32 PolarHBondContact O-N 3.39Å; Y30-V32 VanDerWaalsContact C-N 3.28Å; V32-K93 HydrophobicContact CG2-CD 4.13Å |
| 33 | E | 50.4 | Low | 64 | Low | 88 Ų | 88 | 71.7 Ų | 71.7 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -123.6 | 131.3 | -179 | -57.1 | -173.2 | 123.3 | 0 | 0 | 109.2 | F25 F29 I35 | F25-E33 WeakPolarHBondContact CZ-OE2 3.36Å; F29-E33 PolarHBondContact O-N 3.33Å; E33-I35 HydrophobicContact CB-CB 4.45Å; E33-I35 HydrophobicContact CB-CD1 3.51Å; E33-I35 HydrophobicContact CB-CG1 3.62Å; E33-I35 HydrophobicContact CG-CD1 4.17Å; E33-I35 PolarHBondContact O-N 3.38Å; E33-I35 WeakPolarHBondContact OE2-CD1 3.28Å |
| 34 | D | 54.6 | Low | 63.8 | Low | 189 Ų | 189 | 76.9 Ų | 76.9 | 100% | 1.011 | 39% | 0.39 | S | S | * | . | trans | -64.3 | 46.5 | 170 | -91.3 | -32.9 | 0 | 0 | 0 | 111.3 | ||||
| 35 | I | 57.1 | Low | 63.5 | Low | 46 Ų | 46 | 82.7 Ų | 82.7 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | trans | -90.7 | 124.4 | 179.5 | -64.7 | 170.8 | 0 | 0 | 0 | 107.8 | F25 E33 P37 T40 I46 | F25-I35 HydrophobicContact CE1-CD1 4.17Å; E33-I35 HydrophobicContact CB-CB 4.45Å; E33-I35 HydrophobicContact CB-CD1 3.51Å; E33-I35 HydrophobicContact CB-CG1 3.62Å; E33-I35 HydrophobicContact CG-CD1 4.17Å; E33-I35 PolarHBondContact O-N 3.38Å; E33-I35 WeakPolarHBondContact OE2-CD1 3.28Å; I35-P37 WeakPolarHBondContact O-CD 3.48Å; I35-T40 HydrophobicContact CB-CG2 4.48Å; I35-T40 HydrophobicContact CG2-CG2 3.53Å; I35-I46 HydrophobicContact CD1-CD1 3.97Å; I35-I46 HydrophobicContact CG2-CD1 4.07Å | ||
| 36 | D | 62.4 | Low | 63.6 | Low | 84 Ų | 84 | 82.5 Ų | 82.5 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | trans | -55.5 | 125.6 | 171 | -170.7 | -40.8 | 0 | 0 | 0 | 109.5 | D38 D39 T40 | D36-D38 PolarHBondContact O-N 3.05Å; D36-D38 VanDerWaalsContact O-N 3.08Å; D36-D38 WeakPolarHBondContact OD1-CB 3.48Å; D36-D38 PolarHBondContact OD1-N 3.4Å; D36-D39 HydrophobicContact CB-CB 4.21Å; D36-D39 PolarHBondContact O-N 3.47Å; D36-T40 PolarHBondContact O-N 2.97Å | ||
| 37 | P | 61.2 | Low | 64 | Low | 53 Ų | 53 | 80.7 Ų | 80.7 | 34% | 0.344 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -51.2 | -32.4 | 177.4 | -27.3 | 32.6 | 0 | 0 | 0 | 116 | Y30 I35 D39 T40 | Y30-P37 HydrophobicContact CD1-CG 4.15Å; Y30-P37 VanDerWaalsContact CE1-CA 3.44Å; Y30-P37 HydrophobicContact CE1-CB 3.69Å; Y30-P37 HydrophobicContact CE1-CG 3.53Å; Y30-P37 HydrophobicContact CE2-CB 4.23Å; Y30-P37 HydrophobicContact CE2-CG 4.37Å; Y30-P37 VanDerWaalsContact CZ-CA 3.47Å; Y30-P37 VanDerWaalsContact CZ-CB 3.44Å; Y30-P37 WeakPolarHBondContact OH-CA 3.29Å; Y30-P37 WeakPolarHBondContact OH-CB 3.33Å; Y30-P37 PolarHBondContact OH-O 2.85Å; I35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-D39 VanDerWaalsContact C-N 3.32Å; P37-T40 PolarHBondContact O-OG1 3.08Å |
| 38 | D | 65.4 | Low | 64.6 | Low | 104 Ų | 104 | 81.3 Ų | 81.3 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -79.4 | -19 | -178.6 | -67.4 | -21.6 | 0 | 0 | 0 | 112.3 | D36 | D36-D38 PolarHBondContact O-N 3.05Å; D36-D38 VanDerWaalsContact O-N 3.08Å; D36-D38 WeakPolarHBondContact OD1-CB 3.48Å; D36-D38 PolarHBondContact OD1-N 3.4Å |
| 39 | D | 65.6 | Low | 65.5 | Low | 85 Ų | 85 | 81.1 Ų | 81.1 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -84.1 | -27.8 | 174.9 | -75 | -16.2 | 0 | 0 | 0 | 112.4 | D36 P37 A41 K42 S43 | D36-D39 HydrophobicContact CB-CB 4.21Å; D36-D39 PolarHBondContact O-N 3.47Å; P37-D39 VanDerWaalsContact C-N 3.32Å; D39-A41 PolarHBondContact O-N 3.19Å; D39-K42 PolarHBondContact O-N 3.16Å; D39-S43 PolarHBondContact O-N 3.11Å |
| 40 | T | 64.2 | Low | 66.8 | Low | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.018 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.9 | -38.7 | 174.9 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | Y30 I35 D36 P37 K42 I46 | Y30-T40 HydrophobicContact CE1-CG2 3.91Å; Y30-T40 PolarHBondContact OH-OG1 3.24Å; I35-T40 HydrophobicContact CB-CG2 4.48Å; I35-T40 HydrophobicContact CG2-CG2 3.53Å; D36-T40 PolarHBondContact O-N 2.97Å; P37-T40 PolarHBondContact O-OG1 3.08Å; T40-K42 PolarHBondContact O-N 3.31Å; T40-I46 HydrophobicContact CG2-CD1 4.29Å; T40-I46 WeakPolarHBondContact O-CG2 3.42Å |
| 41 | A | 60.6 | Low | 68.6 | Low | 63 Ų | 63 | 76.8 Ų | 76.8 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D39 Q47 | D39-A41 PolarHBondContact O-N 3.19Å; A41-Q47 PolarHBondContact O-NE2 2.95Å |
| 42 | K | 67.6 | Low | 70.4 | Confident | 152 Ų | 152 | 72.5 Ų | 72.5 | 66% | 0.661 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -25.5 | -178.2 | -62.7 | 173.1 | -169.3 | 158.8 | 0 | 112.8 | D39 T40 R44 | D39-K42 PolarHBondContact O-N 3.16Å; T40-K42 PolarHBondContact O-N 3.31Å; K42-R44 PolarHBondContact O-N 3.47Å |
| 43 | S | 74.7 | Confident | 72.4 | Confident | 40 Ų | 40 | 70 Ų | 70 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | trans | -73.7 | 111.3 | -179.9 | 173.4 | 0 | 0 | 0 | 0 | 111 | D39 N45 I46 Q47 | D39-S43 PolarHBondContact O-N 3.11Å; S43-N45 PolarHBondContact O-N 3.46Å; S43-I46 PolarHBondContact O-N 3.08Å; S43-I46 VanDerWaalsContact O-N 3.14Å; S43-I46 PolarHBondContact OG-N 2.8Å; S43-Q47 WeakPolarHBondContact O-CG 3.5Å; S43-Q47 PolarHBondContact O-N 3.09Å | ||
| 44 | R | 78.5 | Confident | 74.3 | Confident | 166 Ų | 166 | 65.9 Ų | 65.9 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.8 | -37.3 | 176.2 | -174.5 | 177 | 179.2 | 173.5 | 2.7 | 112.2 | K42 Q47 Q48 | K42-R44 PolarHBondContact O-N 3.47Å; R44-Q47 PolarHBondContact O-N 3.41Å; R44-Q48 HydrophobicContact CG-CG 4.35Å; R44-Q48 VanDerWaalsContact O-CB 3.3Å; R44-Q48 WeakPolarHBondContact O-CB 3.41Å; R44-Q48 WeakPolarHBondContact O-CG 3.43Å; R44-Q48 PolarHBondContact O-N 3.39Å |
| 45 | N | 77.7 | Confident | 76.1 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 179.1 | -68.6 | -9 | 0 | 0 | 0 | 111.1 | S43 Q48 A49 | S43-N45 PolarHBondContact O-N 3.46Å; N45-Q48 PolarHBondContact O-N 3.11Å; N45-A49 WeakPolarHBondContact O-CB 3.29Å; N45-A49 PolarHBondContact O-N 3.08Å |
| 46 | I | 79.4 | Confident | 77.8 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.9 | -48 | 177.2 | -73.9 | 176.4 | 0 | 0 | 0 | 110.7 | F25 I35 T40 S43 Q48 A49 G50 | F25-I46 HydrophobicContact CB-CG2 3.6Å; F25-I46 HydrophobicContact CD1-CB 4.3Å; F25-I46 HydrophobicContact CD1-CD1 4.41Å; F25-I46 HydrophobicContact CD1-CG1 4.19Å; F25-I46 HydrophobicContact CD1-CG2 3.38Å; F25-I46 HydrophobicContact CD2-CG2 4.13Å; F25-I46 HydrophobicContact CE1-CD1 4.09Å; F25-I46 HydrophobicContact CE1-CG1 3.93Å; F25-I46 HydrophobicContact CE1-CG2 4.03Å; F25-I46 HydrophobicContact CG-CB 4.38Å; F25-I46 HydrophobicContact CG-CG2 3.45Å; F25-I46 VanDerWaalsContact CG-CG2 3.45Å; F25-I46 HydrophobicContact CZ-CG1 4.14Å; I35-I46 HydrophobicContact CD1-CD1 3.97Å; I35-I46 HydrophobicContact CG2-CD1 4.07Å; T40-I46 HydrophobicContact CG2-CD1 4.29Å; T40-I46 WeakPolarHBondContact O-CG2 3.42Å; S43-I46 PolarHBondContact O-N 3.08Å; S43-I46 VanDerWaalsContact O-N 3.14Å; S43-I46 PolarHBondContact OG-N 2.8Å; I46-Q48 VanDerWaalsContact C-N 3.3Å; I46-Q48 PolarHBondContact O-N 3.31Å; I46-A49 PolarHBondContact O-N 3.02Å; I46-G50 PolarHBondContact O-N 2.73Å |
| 47 | Q | 83.9 | Confident | 79.2 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 175.8 | -68.7 | 174.6 | -5 | 0 | 0 | 111.9 | M18 G21 A41 S43 R44 G51 | M18-Q47 HydrophobicContact CB-CB 4.36Å; M18-Q47 WeakPolarHBondContact O-CB 3.41Å; M18-Q47 VanDerWaalsContact O-CG 3.31Å; M18-Q47 WeakPolarHBondContact O-CG 3.42Å; G21-Q47 WeakPolarHBondContact CA-O 3.4Å; A41-Q47 PolarHBondContact O-NE2 2.95Å; S43-Q47 WeakPolarHBondContact O-CG 3.5Å; S43-Q47 PolarHBondContact O-N 3.09Å; R44-Q47 PolarHBondContact O-N 3.41Å; Q47-G51 PolarHBondContact O-N 2.73Å |
| 48 | Q | 83.8 | Confident | 80.8 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 177.4 | -77 | 177 | -21.4 | 0 | 0 | 112.2 | R44 N45 I46 G51 S52 | R44-Q48 HydrophobicContact CG-CG 4.35Å; R44-Q48 VanDerWaalsContact O-CB 3.3Å; R44-Q48 WeakPolarHBondContact O-CB 3.41Å; R44-Q48 WeakPolarHBondContact O-CG 3.43Å; R44-Q48 PolarHBondContact O-N 3.39Å; N45-Q48 PolarHBondContact O-N 3.11Å; I46-Q48 VanDerWaalsContact C-N 3.3Å; I46-Q48 PolarHBondContact O-N 3.31Å; Q48-G51 PolarHBondContact O-N 2.92Å; Q48-S52 VanDerWaalsContact O-CB 3.3Å; Q48-S52 WeakPolarHBondContact O-CB 3.47Å; Q48-S52 PolarHBondContact O-N 3.32Å; Q48-S52 PolarHBondContact O-OG 3.48Å |
| 49 | A | 82 | Confident | 82.2 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F25 N45 I46 S52 L53 | F25-A49 HydrophobicContact CD2-CB 4.03Å; F25-A49 HydrophobicContact CE2-CB 4.11Å; N45-A49 WeakPolarHBondContact O-CB 3.29Å; N45-A49 PolarHBondContact O-N 3.08Å; I46-A49 PolarHBondContact O-N 3.02Å; A49-S52 PolarHBondContact O-N 3.3Å; A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 PolarHBondContact O-N 3.44Å |
| 50 | G | 86 | Confident | 83.6 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G21 L24 I46 S52 L53 L54 | G21-G50 WeakPolarHBondContact O-CA 3.48Å; L24-G50 WeakPolarHBondContact CD2-O 3.49Å; I46-G50 PolarHBondContact O-N 2.73Å; G50-S52 VanDerWaalsContact C-N 3.34Å; G50-S52 PolarHBondContact O-N 3.26Å; G50-L53 PolarHBondContact O-N 3.23Å; G50-L54 PolarHBondContact O-N 3.22Å |
| 51 | G | 88.8 | Confident | 85.1 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G21 Q47 Q48 L54 N55 | G21-G51 VanDerWaalsContact CA-N 3.32Å; Q47-G51 PolarHBondContact O-N 2.73Å; Q48-G51 PolarHBondContact O-N 2.92Å; G51-L54 PolarHBondContact O-N 2.94Å; G51-N55 WeakPolarHBondContact O-CB 3.35Å; G51-N55 PolarHBondContact O-N 3.18Å |
| 52 | S | 88 | Confident | 86.7 | Confident | 76 Ų | 76 | 50 Ų | 50 | 53% | 0.531 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | Q48 A49 G50 N55 S56 | Q48-S52 VanDerWaalsContact O-CB 3.3Å; Q48-S52 WeakPolarHBondContact O-CB 3.47Å; Q48-S52 PolarHBondContact O-N 3.32Å; Q48-S52 PolarHBondContact O-OG 3.48Å; A49-S52 PolarHBondContact O-N 3.3Å; G50-S52 VanDerWaalsContact C-N 3.34Å; G50-S52 PolarHBondContact O-N 3.26Å; S52-N55 PolarHBondContact O-N 2.82Å; S52-S56 VanDerWaalsContact O-CB 3.25Å; S52-S56 WeakPolarHBondContact O-CB 3.45Å; S52-S56 PolarHBondContact O-N 2.94Å |
| 53 | L | 88.8 | Confident | 88 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 175 | -179.6 | 63 | 0 | 0 | 0 | 111.7 | L24 A49 G50 N55 S56 I57 I94 I98 | L24-L53 HydrophobicContact CD2-CB 4.34Å; L24-L53 HydrophobicContact CD2-CD2 4.15Å; L24-L53 HydrophobicContact CD2-CG 4.28Å; L24-L53 HydrophobicContact CG-CD2 4.44Å; A49-L53 WeakPolarHBondContact O-CB 3.35Å; A49-L53 PolarHBondContact O-N 3.44Å; G50-L53 PolarHBondContact O-N 3.23Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 2.94Å; L53-S56 PolarHBondContact O-N 3.32Å; L53-I57 HydrophobicContact CD1-CG1 4.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.34Å; L53-I57 PolarHBondContact O-N 2.9Å; L53-I94 HydrophobicContact CD1-CD1 4.35Å; L53-I94 HydrophobicContact CD1-CG2 4Å; L53-I94 HydrophobicContact CD2-CG2 4.34Å; L53-I98 HydrophobicContact CD2-CD1 4.45Å; L53-I98 HydrophobicContact CG-CD1 4.3Å |
| 54 | L | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -43 | 178.1 | -176.6 | 56 | 0 | 0 | 0 | 111.5 | L11 C14 L16 L24 G50 G51 T58 F101 | L11-L54 HydrophobicContact CD2-CD1 4.01Å; C14-L54 HydrophobicContact CB-CD1 4.37Å; C14-L54 HydrophobicContact CB-CD2 4.41Å; L16-L54 HydrophobicContact CD2-CB 3.94Å; L16-L54 HydrophobicContact CD2-CD2 3.81Å; L16-L54 HydrophobicContact CD2-CG 3.66Å; L24-L54 HydrophobicContact CD2-CB 3.79Å; G50-L54 PolarHBondContact O-N 3.22Å; G51-L54 PolarHBondContact O-N 2.94Å; L54-T58 WeakPolarHBondContact O-CB 3.41Å; L54-T58 PolarHBondContact O-N 3.23Å; L54-T58 PolarHBondContact O-OG1 3.4Å; L54-F101 HydrophobicContact CD1-CD1 4.45Å; L54-F101 HydrophobicContact CD1-CE1 4.06Å; L54-F101 HydrophobicContact CD2-CE1 3.68Å; L54-F101 HydrophobicContact CD2-CZ 4.06Å |
| 55 | N | 91.6 | Very high | 89.5 | Confident | 88 Ų | 88 | 42.6 Ų | 42.6 | 47% | 0.471 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.6 | -175.8 | 57.3 | 0 | 0 | 0 | 111.6 | L16 G51 S52 L53 T58 Y59 | L16-N55 HydrophobicContact CD1-CB 4.39Å; L16-N55 HydrophobicContact CD2-CB 4.15Å; G51-N55 WeakPolarHBondContact O-CB 3.35Å; G51-N55 PolarHBondContact O-N 3.18Å; S52-N55 PolarHBondContact O-N 2.82Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 2.94Å; N55-T58 WeakPolarHBondContact O-CB 3.47Å; N55-T58 PolarHBondContact O-N 3.42Å; N55-Y59 WeakPolarHBondContact O-CB 3.47Å; N55-Y59 PolarHBondContact O-N 3.47Å |
| 56 | S | 92.2 | Very high | 90.2 | Very high | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | -179 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | S52 L53 T58 Y59 L60 E73 Q77 | S52-S56 VanDerWaalsContact O-CB 3.25Å; S52-S56 WeakPolarHBondContact O-CB 3.45Å; S52-S56 PolarHBondContact O-N 2.94Å; L53-S56 PolarHBondContact O-N 3.32Å; S56-T58 VanDerWaalsContact C-N 3.32Å; S56-T58 PolarHBondContact O-N 3.23Å; S56-Y59 WeakPolarHBondContact O-CB 3.49Å; S56-Y59 PolarHBondContact O-N 2.67Å; S56-L60 WeakPolarHBondContact O-CG 3.32Å; S56-L60 PolarHBondContact O-N 3.34Å; S56-E73 WeakPolarHBondContact CB-OE1 3.25Å; S56-E73 PolarHBondContact OG-OE1 2.9Å; S56-Q77 PolarHBondContact OG-NE2 3.16Å |
| 57 | I | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 172.5 | -65.4 | -63.9 | 0 | 0 | 0 | 111.2 | L53 Y59 L60 V61 I94 I98 W118 F121 F122 Y125 | L53-I57 HydrophobicContact CD1-CG1 4.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.34Å; L53-I57 PolarHBondContact O-N 2.9Å; I57-Y59 VanDerWaalsContact C-N 3.33Å; I57-Y59 PolarHBondContact O-N 3.39Å; I57-L60 HydrophobicContact CD1-CD1 4.35Å; I57-L60 PolarHBondContact O-N 2.9Å; I57-V61 WeakPolarHBondContact O-CG2 3.4Å; I57-V61 PolarHBondContact O-N 3.28Å; I57-I94 HydrophobicContact CD1-CG2 4.37Å; I57-I98 HydrophobicContact CB-CD1 4.42Å; I57-I98 HydrophobicContact CG1-CD1 3.96Å; I57-I98 HydrophobicContact CG1-CG1 4.28Å; I57-I98 HydrophobicContact CG2-CG2 4.47Å; I57-W118 HydrophobicContact CG2-CZ3 4.36Å; I57-F121 HydrophobicContact CD1-CE1 4.36Å; I57-F121 HydrophobicContact CG2-CE1 4.22Å; I57-F121 HydrophobicContact CG2-CZ 4.3Å; I57-F122 HydrophobicContact CD1-CE1 4.33Å; I57-Y125 HydrophobicContact CD1-CE2 4.23Å |
| 58 | T | 93.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 176 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | L54 N55 S56 V61 N62 | L54-T58 WeakPolarHBondContact O-CB 3.41Å; L54-T58 PolarHBondContact O-N 3.23Å; L54-T58 PolarHBondContact O-OG1 3.4Å; N55-T58 WeakPolarHBondContact O-CB 3.47Å; N55-T58 PolarHBondContact O-N 3.42Å; S56-T58 VanDerWaalsContact C-N 3.32Å; S56-T58 PolarHBondContact O-N 3.23Å; T58-V61 PolarHBondContact O-N 3.17Å; T58-N62 WeakPolarHBondContact O-CB 3.43Å; T58-N62 VanDerWaalsContact O-CG 3.32Å; T58-N62 PolarHBondContact O-N 3.5Å; T58-N62 PolarHBondContact O-ND2 3.38Å |
| 59 | Y | 94.6 | Very high | 91.9 | Very high | 90 Ų | 90 | 49 Ų | 49 | 35% | 0.353 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 175.1 | -175.2 | -89.9 | 0 | 0 | 0 | 111.6 | N55 S56 I57 V61 N62 Q63 E73 | N55-Y59 WeakPolarHBondContact O-CB 3.47Å; N55-Y59 PolarHBondContact O-N 3.47Å; S56-Y59 WeakPolarHBondContact O-CB 3.49Å; S56-Y59 PolarHBondContact O-N 2.67Å; I57-Y59 VanDerWaalsContact C-N 3.33Å; I57-Y59 PolarHBondContact O-N 3.39Å; Y59-V61 VanDerWaalsContact C-N 3.34Å; Y59-V61 PolarHBondContact O-N 3.26Å; Y59-N62 CarbonylContact O-C 3.53Å; Y59-N62 WeakPolarHBondContact O-CB 3.48Å; Y59-N62 PolarHBondContact O-N 3.48Å; Y59-N62 VanDerWaalsContact O-N 3.08Å; Y59-Q63 HydrophobicContact CD1-CG 4.02Å; Y59-Q63 HydrophobicContact CD2-CG 4.44Å; Y59-Q63 HydrophobicContact CE1-CB 4.25Å; Y59-Q63 HydrophobicContact CE1-CG 3.58Å; Y59-Q63 HydrophobicContact CE2-CG 4.06Å; Y59-Q63 HydrophobicContact CG-CG 4.42Å; Y59-Q63 WeakPolarHBondContact O-CB 3.49Å; Y59-Q63 WeakPolarHBondContact O-CG 3.23Å; Y59-Q63 PolarHBondContact O-N 2.92Å; Y59-E73 HydrophobicContact CD1-CB 4.05Å; Y59-E73 HydrophobicContact CD1-CG 3.89Å; Y59-E73 HydrophobicContact CE1-CB 4.1Å; Y59-E73 HydrophobicContact CE1-CG 4.42Å |
| 60 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 177.8 | -74.8 | 171.3 | 0 | 0 | 0 | 113 | S56 I57 N62 Q63 Y64 F70 E73 I74 Q77 F121 Y125 | S56-L60 WeakPolarHBondContact O-CG 3.32Å; S56-L60 PolarHBondContact O-N 3.34Å; I57-L60 HydrophobicContact CD1-CD1 4.35Å; I57-L60 PolarHBondContact O-N 2.9Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-Q63 CarbonylContact O-C 3.59Å; L60-Q63 PolarHBondContact O-N 3.04Å; L60-Y64 WeakPolarHBondContact O-CA 3.05Å; L60-Y64 PolarHBondContact O-N 2.97Å; L60-F70 HydrophobicContact CB-CD2 4.32Å; L60-F70 HydrophobicContact CB-CE2 4.01Å; L60-F70 HydrophobicContact CD2-CD1 4.45Å; L60-F70 HydrophobicContact CD2-CD2 3.63Å; L60-F70 HydrophobicContact CD2-CE1 4.5Å; L60-F70 HydrophobicContact CD2-CE2 3.71Å; L60-F70 HydrophobicContact CD2-CG 4.03Å; L60-F70 HydrophobicContact CD2-CZ 4.15Å; L60-F70 HydrophobicContact CG-CE2 4.39Å; L60-E73 HydrophobicContact CD1-CG 4.43Å; L60-E73 HydrophobicContact CD2-CB 3.73Å; L60-E73 HydrophobicContact CD2-CG 3.67Å; L60-E73 HydrophobicContact CG-CB 4.4Å; L60-E73 HydrophobicContact CG-CG 3.78Å; L60-I74 HydrophobicContact CD1-CD1 4.21Å; L60-I74 HydrophobicContact CD2-CD1 4.19Å; L60-I74 HydrophobicContact CD2-CG1 4.18Å; L60-Q77 VanDerWaalsContact CD1-NE2 3.27Å; L60-F121 HydrophobicContact CB-CE2 4.12Å; L60-F121 HydrophobicContact CB-CZ 3.97Å; L60-Y125 HydrophobicContact CD1-CD2 3.58Å; L60-Y125 HydrophobicContact CD1-CE2 3.49Å; L60-Y125 VanDerWaalsContact CD1-CE2 3.49Å |
| 61 | V | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.3 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | I4 L7 K8 L11 I57 T58 Y59 Q63 Y64 W118 F121 | I4-V61 HydrophobicContact CG2-CG1 4.17Å; I4-V61 WeakPolarHBondContact CG2-O 3.44Å; L7-V61 HydrophobicContact CB-CG1 3.58Å; L7-V61 HydrophobicContact CB-CG2 4.17Å; L7-V61 HydrophobicContact CD1-CG1 4.46Å; L7-V61 HydrophobicContact CD1-CG2 4.16Å; K8-V61 HydrophobicContact CG-CG1 3.77Å; L11-V61 HydrophobicContact CD1-CB 3.74Å; L11-V61 HydrophobicContact CD1-CG1 3.95Å; L11-V61 HydrophobicContact CD1-CG2 3.63Å; I57-V61 WeakPolarHBondContact O-CG2 3.4Å; I57-V61 PolarHBondContact O-N 3.28Å; T58-V61 PolarHBondContact O-N 3.17Å; Y59-V61 VanDerWaalsContact C-N 3.34Å; Y59-V61 PolarHBondContact O-N 3.26Å; V61-Q63 VanDerWaalsContact C-N 3.32Å; V61-Q63 PolarHBondContact O-N 2.98Å; V61-Y64 WeakPolarHBondContact O-CB 3.37Å; V61-Y64 PolarHBondContact O-N 2.95Å; V61-W118 HydrophobicContact CG2-CH2 4.42Å; V61-F121 HydrophobicContact CB-CE2 4.45Å; V61-F121 HydrophobicContact CG2-CD2 3.92Å; V61-F121 HydrophobicContact CG2-CE1 4.4Å; V61-F121 HydrophobicContact CG2-CE2 3.48Å; V61-F121 VanDerWaalsContact CG2-CE2 3.48Å; V61-F121 HydrophobicContact CG2-CZ 3.77Å |
| 62 | N | 93.8 | Very high | 93.1 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 40% | 0.401 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.2 | -33.5 | 178.1 | -75.6 | -30.7 | 0 | 0 | 0 | 113.3 | K8 T58 Y59 L60 | K8-N62 VanDerWaalsContact CE-OD1 3.23Å; K8-N62 WeakPolarHBondContact CE-OD1 2.97Å; T58-N62 WeakPolarHBondContact O-CB 3.43Å; T58-N62 VanDerWaalsContact O-CG 3.32Å; T58-N62 PolarHBondContact O-N 3.5Å; T58-N62 PolarHBondContact O-ND2 3.38Å; Y59-N62 CarbonylContact O-C 3.53Å; Y59-N62 WeakPolarHBondContact O-CB 3.48Å; Y59-N62 PolarHBondContact O-N 3.48Å; Y59-N62 VanDerWaalsContact O-N 3.08Å; L60-N62 VanDerWaalsContact C-N 3.34Å |
| 63 | Q | 94.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 15.7 | 179.6 | -59.3 | -54.7 | -40.4 | 0 | 0 | 113.2 | Y59 L60 V61 D65 N66 | Y59-Q63 HydrophobicContact CD1-CG 4.02Å; Y59-Q63 HydrophobicContact CD2-CG 4.44Å; Y59-Q63 HydrophobicContact CE1-CB 4.25Å; Y59-Q63 HydrophobicContact CE1-CG 3.58Å; Y59-Q63 HydrophobicContact CE2-CG 4.06Å; Y59-Q63 HydrophobicContact CG-CG 4.42Å; Y59-Q63 WeakPolarHBondContact O-CB 3.49Å; Y59-Q63 WeakPolarHBondContact O-CG 3.23Å; Y59-Q63 PolarHBondContact O-N 2.92Å; L60-Q63 CarbonylContact O-C 3.59Å; L60-Q63 PolarHBondContact O-N 3.04Å; V61-Q63 VanDerWaalsContact C-N 3.32Å; V61-Q63 PolarHBondContact O-N 2.98Å; Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 3.32Å; Q63-N66 HydrophobicContact CB-CB 4.37Å; Q63-N66 CarbonylContact O-C 3.46Å; Q63-N66 WeakPolarHBondContact O-CA 3.39Å; Q63-N66 PolarHBondContact O-N 2.88Å; Q63-N66 PolarHBondContact OE1-ND2 3.34Å; Q63-N66 VanDerWaalsContact OE1-ND2 3.14Å |
| 64 | Y | 93.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -44.4 | -173 | -172.2 | -95.3 | 0 | 0 | 0 | 112.5 | V2 I4 L60 V61 N66 F70 F121 R124 | V2-Y64 HydrophobicContact CB-CE1 3.98Å; V2-Y64 HydrophobicContact CG2-CE1 4.13Å; V2-Y64 WeakPolarHBondContact CG2-OH 3.48Å; I4-Y64 HydrophobicContact CD1-CD1 3.41Å; I4-Y64 VanDerWaalsContact CD1-CD1 3.41Å; I4-Y64 HydrophobicContact CD1-CD2 3.72Å; I4-Y64 HydrophobicContact CD1-CE1 3.97Å; I4-Y64 HydrophobicContact CD1-CE2 4.24Å; I4-Y64 HydrophobicContact CD1-CG 3.25Å; I4-Y64 HydrophobicContact CG1-CD1 3.63Å; I4-Y64 HydrophobicContact CG1-CE1 4.34Å; I4-Y64 HydrophobicContact CG1-CG 3.87Å; L60-Y64 WeakPolarHBondContact O-CA 3.05Å; L60-Y64 PolarHBondContact O-N 2.97Å; V61-Y64 WeakPolarHBondContact O-CB 3.37Å; V61-Y64 PolarHBondContact O-N 2.95Å; Y64-N66 VanDerWaalsContact C-N 3.32Å; Y64-F70 HydrophobicContact CD2-CE2 4.04Å; Y64-F121 AromaticContact CD2-CD2 3.71Å; Y64-F121 HydrophobicContact CD2-CD2 3.71Å; Y64-F121 HydrophobicContact CD2-CE2 4.15Å; Y64-F121 AromaticContact CE2-CD2 3.8Å; Y64-F121 HydrophobicContact CE2-CD2 3.8Å; Y64-R124 HydrophobicContact CE2-CB 4.39Å; Y64-R124 VanDerWaalsContact CZ-NH1 3.3Å; Y64-R124 PolarHBondContact O-NH1 3.36Å; Y64-R124 PolarHBondContact O-NH2 3.46Å; Y64-R124 WeakPolarHBondContact OH-CD 3.35Å |
| 65 | D | 91.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 56.4 Ų | 56.4 | 68% | 0.684 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.6 | 179.6 | -59.2 | -46.3 | 0 | 0 | 0 | 113.4 | Q63 E67 | Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 3.32Å; D65-E67 PolarHBondContact O-N 3.04Å |
| 66 | N | 93.8 | Very high | 94 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | trans | -93.3 | 86.8 | 174.7 | -177.4 | -11.5 | 0 | 0 | 0 | 110.1 | Q63 Y64 R68 S69 F70 | Q63-N66 HydrophobicContact CB-CB 4.37Å; Q63-N66 CarbonylContact O-C 3.46Å; Q63-N66 WeakPolarHBondContact O-CA 3.39Å; Q63-N66 PolarHBondContact O-N 2.88Å; Q63-N66 PolarHBondContact OE1-ND2 3.34Å; Q63-N66 VanDerWaalsContact OE1-ND2 3.14Å; Y64-N66 VanDerWaalsContact C-N 3.32Å; N66-R68 PolarHBondContact O-N 3.26Å; N66-R68 VanDerWaalsContact O-N 3.13Å; N66-R68 PolarHBondContact OD1-N 3.5Å; N66-S69 PolarHBondContact ND2-OG 2.91Å; N66-S69 PolarHBondContact O-N 3.13Å; N66-S69 VanDerWaalsContact O-N 3.16Å; N66-S69 PolarHBondContact OD1-N 3.41Å; N66-F70 WeakPolarHBondContact O-CB 3.03Å; N66-F70 PolarHBondContact O-N 3.4Å | ||
| 67 | E | 92 | Very high | 94 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54 | -36.2 | -175.2 | -175.8 | 62.4 | -171.7 | 0 | 0 | 113.9 | D65 K71 R124 | D65-E67 PolarHBondContact O-N 3.04Å; E67-K71 HydrophobicContact CG-CD 4.19Å; E67-K71 WeakPolarHBondContact O-CB 3.47Å; E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 2.61Å; E67-K71 WeakPolarHBondContact OE1-CD 3.34Å; E67-K71 WeakPolarHBondContact OE1-CE 3.1Å; E67-K71 IonicContact OE1-NZ 2.65Å; E67-K71 PolarHBondContact OE1-NZ 2.57Å; E67-R124 IonicContact OE2-CZ 2.67Å; E67-R124 IonicContact OE2-NH2 2.69Å; E67-R124 PolarHBondContact OE2-NH2 2.91Å |
| 68 | R | 94.8 | Very high | 93.9 | Very high | 216 Ų | 216 | 56.7 Ų | 56.7 | 82% | 0.815 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.5 | -51.4 | 179.3 | -178.5 | -178.8 | 178 | -175.3 | -0.4 | 111 | N66 Q72 | N66-R68 PolarHBondContact O-N 3.26Å; N66-R68 VanDerWaalsContact O-N 3.13Å; N66-R68 PolarHBondContact OD1-N 3.5Å; R68-Q72 WeakPolarHBondContact O-CB 3.36Å; R68-Q72 PolarHBondContact O-N 3.4Å; R68-Q72 VanDerWaalsContact O-N 3.08Å |
| 69 | S | 95.6 | Very high | 93.8 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | -179.8 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | N66 K71 Q72 E73 | N66-S69 PolarHBondContact ND2-OG 2.91Å; N66-S69 PolarHBondContact O-N 3.13Å; N66-S69 VanDerWaalsContact O-N 3.16Å; N66-S69 PolarHBondContact OD1-N 3.41Å; S69-K71 PolarHBondContact O-N 3Å; S69-Q72 PolarHBondContact O-N 2.64Å; S69-E73 PolarHBondContact O-N 2.98Å; S69-E73 VanDerWaalsContact O-N 3.1Å |
| 70 | F | 93.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 175.8 | -169.6 | -85.9 | 0 | 0 | 0 | 111.2 | L60 Y64 N66 Q72 E73 I74 F121 R124 A128 | L60-F70 HydrophobicContact CB-CD2 4.32Å; L60-F70 HydrophobicContact CB-CE2 4.01Å; L60-F70 HydrophobicContact CD2-CD1 4.45Å; L60-F70 HydrophobicContact CD2-CD2 3.63Å; L60-F70 HydrophobicContact CD2-CE1 4.5Å; L60-F70 HydrophobicContact CD2-CE2 3.71Å; L60-F70 HydrophobicContact CD2-CG 4.03Å; L60-F70 HydrophobicContact CD2-CZ 4.15Å; L60-F70 HydrophobicContact CG-CE2 4.39Å; Y64-F70 HydrophobicContact CD2-CE2 4.04Å; N66-F70 WeakPolarHBondContact O-CB 3.03Å; N66-F70 PolarHBondContact O-N 3.4Å; F70-Q72 VanDerWaalsContact C-N 3.34Å; F70-Q72 PolarHBondContact O-N 2.71Å; F70-E73 PolarHBondContact O-N 2.61Å; F70-I74 HydrophobicContact CD1-CG1 3.98Å; F70-I74 HydrophobicContact CE1-CD1 4.07Å; F70-I74 HydrophobicContact CE1-CG1 3.77Å; F70-I74 HydrophobicContact CZ-CD1 4.39Å; F70-I74 HydrophobicContact CZ-CG1 4.5Å; F70-I74 VanDerWaalsContact O-CG1 3.28Å; F70-I74 WeakPolarHBondContact O-CG1 3.21Å; F70-I74 PolarHBondContact O-N 3.31Å; F70-I74 VanDerWaalsContact O-N 3.08Å; F70-F121 HydrophobicContact CE2-CE2 4.3Å; F70-R124 HydrophobicContact CE1-CG 4.16Å; F70-R124 HydrophobicContact CZ-CG 4.16Å; F70-A128 HydrophobicContact CE1-CB 4.13Å |
| 71 | K | 93.5 | Very high | 93.1 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -37 | 178.2 | -80.6 | 177.2 | 159.3 | 147.2 | 0 | 113.6 | E67 S69 I74 K75 | E67-K71 HydrophobicContact CG-CD 4.19Å; E67-K71 WeakPolarHBondContact O-CB 3.47Å; E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 2.61Å; E67-K71 WeakPolarHBondContact OE1-CD 3.34Å; E67-K71 WeakPolarHBondContact OE1-CE 3.1Å; E67-K71 IonicContact OE1-NZ 2.65Å; E67-K71 PolarHBondContact OE1-NZ 2.57Å; S69-K71 PolarHBondContact O-N 3Å; K71-I74 PolarHBondContact O-N 3.38Å; K71-K75 WeakPolarHBondContact O-CG 3.39Å; K71-K75 PolarHBondContact O-N 3.29Å; K71-K75 VanDerWaalsContact O-N 3.08Å |
| 72 | Q | 94.8 | Very high | 92.7 | Very high | 98 Ų | 98 | 65.2 Ų | 65.2 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 178.7 | -178.6 | 59.3 | 28.7 | 0 | 0 | 110.7 | R68 S69 F70 I74 K75 E76 | R68-Q72 WeakPolarHBondContact O-CB 3.36Å; R68-Q72 PolarHBondContact O-N 3.4Å; R68-Q72 VanDerWaalsContact O-N 3.08Å; S69-Q72 PolarHBondContact O-N 2.64Å; F70-Q72 VanDerWaalsContact C-N 3.34Å; F70-Q72 PolarHBondContact O-N 2.71Å; Q72-I74 VanDerWaalsContact C-N 3.34Å; Q72-I74 PolarHBondContact O-N 2.94Å; Q72-K75 WeakPolarHBondContact O-CB 3.42Å; Q72-K75 PolarHBondContact O-N 2.94Å; Q72-K75 VanDerWaalsContact O-N 3.13Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.31Å; Q72-E76 PolarHBondContact NE2-OE1 3.21Å; Q72-E76 PolarHBondContact O-N 2.51Å; Q72-E76 VanDerWaalsContact O-N 3.09Å |
| 73 | E | 94.8 | Very high | 92.3 | Very high | 33 Ų | 33 | 69.5 Ų | 69.5 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 177.4 | -176 | 69.1 | -157.8 | 0 | 0 | 112 | S56 Y59 L60 S69 F70 K75 E76 Q77 | S56-E73 WeakPolarHBondContact CB-OE1 3.25Å; S56-E73 PolarHBondContact OG-OE1 2.9Å; Y59-E73 HydrophobicContact CD1-CB 4.05Å; Y59-E73 HydrophobicContact CD1-CG 3.89Å; Y59-E73 HydrophobicContact CE1-CB 4.1Å; Y59-E73 HydrophobicContact CE1-CG 4.42Å; L60-E73 HydrophobicContact CD1-CG 4.43Å; L60-E73 HydrophobicContact CD2-CB 3.73Å; L60-E73 HydrophobicContact CD2-CG 3.67Å; L60-E73 HydrophobicContact CG-CB 4.4Å; L60-E73 HydrophobicContact CG-CG 3.78Å; S69-E73 PolarHBondContact O-N 2.98Å; S69-E73 VanDerWaalsContact O-N 3.1Å; F70-E73 PolarHBondContact O-N 2.61Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.36Å; E73-E76 PolarHBondContact O-N 3.05Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 3.47Å |
| 74 | I | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 174.8 | -68.3 | -68.6 | 0 | 0 | 0 | 111.3 | L60 F70 K71 Q72 Q77 I78 Y125 A128 M129 | L60-I74 HydrophobicContact CD1-CD1 4.21Å; L60-I74 HydrophobicContact CD2-CD1 4.19Å; L60-I74 HydrophobicContact CD2-CG1 4.18Å; F70-I74 HydrophobicContact CD1-CG1 3.98Å; F70-I74 HydrophobicContact CE1-CD1 4.07Å; F70-I74 HydrophobicContact CE1-CG1 3.77Å; F70-I74 HydrophobicContact CZ-CD1 4.39Å; F70-I74 HydrophobicContact CZ-CG1 4.5Å; F70-I74 VanDerWaalsContact O-CG1 3.28Å; F70-I74 WeakPolarHBondContact O-CG1 3.21Å; F70-I74 PolarHBondContact O-N 3.31Å; F70-I74 VanDerWaalsContact O-N 3.08Å; K71-I74 PolarHBondContact O-N 3.38Å; Q72-I74 VanDerWaalsContact C-N 3.34Å; Q72-I74 PolarHBondContact O-N 2.94Å; I74-Q77 PolarHBondContact O-N 2.7Å; I74-I78 HydrophobicContact CG2-CD1 3.82Å; I74-I78 HydrophobicContact CG2-CG1 4.4Å; I74-I78 VanDerWaalsContact O-CG1 3.23Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.47Å; I74-Y125 HydrophobicContact CD1-CD2 3.37Å; I74-Y125 HydrophobicContact CD1-CE2 3.66Å; I74-Y125 HydrophobicContact CD1-CG 4.34Å; I74-A128 HydrophobicContact CD1-CB 4.35Å; I74-A128 HydrophobicContact CG1-CB 4.09Å; I74-A128 HydrophobicContact CG2-CB 4.12Å; I74-M129 HydrophobicContact CD1-CG 4.34Å; I74-M129 HydrophobicContact CG2-CG 4.11Å |
| 75 | K | 94.7 | Very high | 91.4 | Very high | 99 Ų | 99 | 76.4 Ų | 76.4 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 179.3 | -72.9 | 173.6 | 179.6 | -176.5 | 0 | 112.1 | K71 Q72 E73 I78 C79 | K71-K75 WeakPolarHBondContact O-CG 3.39Å; K71-K75 PolarHBondContact O-N 3.29Å; K71-K75 VanDerWaalsContact O-N 3.08Å; Q72-K75 WeakPolarHBondContact O-CB 3.42Å; Q72-K75 PolarHBondContact O-N 2.94Å; Q72-K75 VanDerWaalsContact O-N 3.13Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.36Å; K75-I78 PolarHBondContact O-N 3.03Å; K75-C79 PolarHBondContact O-N 3.3Å; K75-C79 PolarHBondContact O-SG 2.95Å |
| 76 | E | 92.7 | Very high | 91.1 | Very high | 92 Ų | 92 | 71.6 Ų | 71.6 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 176.5 | -71 | 172.5 | -162.9 | 0 | 0 | 110.8 | Q72 E73 I78 C79 D80 | Q72-E76 WeakPolarHBondContact CG-OE1 3.31Å; Q72-E76 PolarHBondContact NE2-OE1 3.21Å; Q72-E76 PolarHBondContact O-N 2.51Å; Q72-E76 VanDerWaalsContact O-N 3.09Å; E73-E76 PolarHBondContact O-N 3.05Å; E76-I78 VanDerWaalsContact C-N 3.32Å; E76-I78 PolarHBondContact O-N 2.72Å; E76-C79 WeakPolarHBondContact O-CB 3.36Å; E76-C79 PolarHBondContact O-N 3Å; E76-D80 PolarHBondContact O-N 2.86Å; E76-D80 VanDerWaalsContact O-N 3.12Å |
| 77 | Q | 92 | Very high | 90.9 | Very high | 9 Ų | 9 | 73.9 Ų | 73.9 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -36.8 | 174.7 | -70 | -176 | 33.6 | 0 | 0 | 113.5 | S56 L60 E73 I74 C79 D80 F81 Y125 M129 | S56-Q77 PolarHBondContact OG-NE2 3.16Å; L60-Q77 VanDerWaalsContact CD1-NE2 3.27Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 3.47Å; I74-Q77 PolarHBondContact O-N 2.7Å; Q77-C79 VanDerWaalsContact C-N 3.34Å; Q77-D80 PolarHBondContact O-N 2.72Å; Q77-F81 WeakPolarHBondContact O-CB 3.35Å; Q77-F81 WeakPolarHBondContact O-CD1 3.47Å; Q77-F81 WeakPolarHBondContact O-CG 3.41Å; Q77-F81 PolarHBondContact O-N 3.19Å; Q77-Y125 VanDerWaalsContact OE1-CE2 3.26Å; Q77-Y125 VanDerWaalsContact OE1-CZ 3.29Å; Q77-Y125 PolarHBondContact OE1-OH 2.96Å; Q77-M129 HydrophobicContact CB-CE 4.03Å; Q77-M129 VanDerWaalsContact OE1-CE 3.23Å |
| 78 | I | 92.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.2 | -69.8 | 168.7 | 0 | 0 | 0 | 110.9 | I74 K75 E76 F81 R82 M129 H132 L134 | I74-I78 HydrophobicContact CG2-CD1 3.82Å; I74-I78 HydrophobicContact CG2-CG1 4.4Å; I74-I78 VanDerWaalsContact O-CG1 3.23Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.47Å; K75-I78 PolarHBondContact O-N 3.03Å; E76-I78 VanDerWaalsContact C-N 3.32Å; E76-I78 PolarHBondContact O-N 2.72Å; I78-F81 PolarHBondContact O-N 2.91Å; I78-R82 HydrophobicContact CG2-CG 4.3Å; I78-R82 WeakPolarHBondContact O-CB 3.42Å; I78-R82 VanDerWaalsContact O-CG 3.31Å; I78-R82 WeakPolarHBondContact O-CG 3.2Å; I78-R82 PolarHBondContact O-N 3.45Å; I78-M129 HydrophobicContact CG1-CG 4.4Å; I78-H132 HydrophobicContact CD1-CB 3.36Å; I78-L134 HydrophobicContact CD1-CB 4.45Å; I78-L134 HydrophobicContact CG1-CB 4.17Å; I78-L134 HydrophobicContact CG2-CB 4.46Å; I78-L134 HydrophobicContact CG2-CD1 4.41Å |
| 79 | C | 90.8 | Very high | 90.4 | Very high | 68 Ų | 68 | 66 Ų | 66 | 46% | 0.459 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.1 | -52.2 | 173.3 | -73.9 | 0 | 0 | 0 | 0 | 110.3 | K75 E76 Q77 F81 R82 E83 | K75-C79 PolarHBondContact O-N 3.3Å; K75-C79 PolarHBondContact O-SG 2.95Å; E76-C79 WeakPolarHBondContact O-CB 3.36Å; E76-C79 PolarHBondContact O-N 3Å; Q77-C79 VanDerWaalsContact C-N 3.34Å; C79-F81 VanDerWaalsContact C-N 3.3Å; C79-F81 PolarHBondContact O-N 3.26Å; C79-R82 PolarHBondContact O-N 3.31Å; C79-E83 WeakPolarHBondContact O-CG 3.42Å; C79-E83 PolarHBondContact O-N 3.34Å |
| 80 | D | 87.2 | Confident | 89.9 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 40% | 0.401 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 177.9 | -71.7 | -4.6 | 0 | 0 | 0 | 112.6 | E76 Q77 R84 | E76-D80 PolarHBondContact O-N 2.86Å; E76-D80 VanDerWaalsContact O-N 3.12Å; Q77-D80 PolarHBondContact O-N 2.72Å; D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.39Å; D80-R84 PolarHBondContact O-N 3.17Å |
| 81 | F | 88.5 | Confident | 89.6 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -42 | -179.4 | -74.4 | 3.7 | 0 | 0 | 0 | 111.7 | Q77 I78 C79 R84 G85 I86 A91 I94 M129 L134 | Q77-F81 WeakPolarHBondContact O-CB 3.35Å; Q77-F81 WeakPolarHBondContact O-CD1 3.47Å; Q77-F81 WeakPolarHBondContact O-CG 3.41Å; Q77-F81 PolarHBondContact O-N 3.19Å; I78-F81 PolarHBondContact O-N 2.91Å; C79-F81 VanDerWaalsContact C-N 3.3Å; C79-F81 PolarHBondContact O-N 3.26Å; F81-R84 CarbonylContact O-C 3.51Å; F81-R84 PolarHBondContact O-N 3.32Å; F81-G85 PolarHBondContact O-N 3.35Å; F81-I86 HydrophobicContact CB-CB 3.92Å; F81-I86 HydrophobicContact CB-CG2 4.26Å; F81-I86 HydrophobicContact CD1-CD1 3.93Å; F81-I86 HydrophobicContact CD2-CG2 4.16Å; F81-I86 HydrophobicContact CE1-CD1 4.44Å; F81-I86 HydrophobicContact CG-CB 4.17Å; F81-I86 HydrophobicContact CG-CD1 4.38Å; F81-I86 HydrophobicContact CG-CG2 4.08Å; F81-I86 PolarHBondContact O-N 3.03Å; F81-A91 HydrophobicContact CD2-CB 4.13Å; F81-A91 HydrophobicContact CE2-CB 3.9Å; F81-I94 HydrophobicContact CE1-CD1 4.5Å; F81-I94 HydrophobicContact CE2-CD1 3.65Å; F81-I94 HydrophobicContact CZ-CD1 3.38Å; F81-M129 HydrophobicContact CD2-CE 4.1Å; F81-M129 HydrophobicContact CE2-CE 3.51Å; F81-M129 HydrophobicContact CE2-SD 4.13Å; F81-M129 HydrophobicContact CZ-CE 4.26Å; F81-L134 HydrophobicContact CB-CD1 4.04Å; F81-L134 HydrophobicContact CD2-CD2 3.82Å |
| 82 | R | 88.2 | Confident | 89.4 | Confident | 143 Ų | 143 | 70.5 Ų | 70.5 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.9 | -75.2 | 175.2 | 174.8 | 171.6 | -0.7 | 111.8 | I78 C79 R84 G85 G133 L134 | I78-R82 HydrophobicContact CG2-CG 4.3Å; I78-R82 WeakPolarHBondContact O-CB 3.42Å; I78-R82 VanDerWaalsContact O-CG 3.31Å; I78-R82 WeakPolarHBondContact O-CG 3.2Å; I78-R82 PolarHBondContact O-N 3.45Å; C79-R82 PolarHBondContact O-N 3.31Å; R82-R84 PolarHBondContact O-N 3.36Å; R82-G85 PolarHBondContact O-N 3.26Å; R82-G133 VanDerWaalsContact NH2-C 3.29Å; R82-G133 PolarHBondContact NH2-O 2.98Å; R82-L134 HydrophobicContact CG-CD1 4.5Å |
| 83 | E | 85.7 | Confident | 89 | Confident | 164 Ų | 164 | 69.6 Ų | 69.6 | 77% | 0.766 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.3 | -30.2 | 176 | -73.2 | -176.9 | 177.8 | 0 | 0 | 112.4 | C79 | C79-E83 WeakPolarHBondContact O-CG 3.42Å; C79-E83 PolarHBondContact O-N 3.34Å |
| 84 | R | 82.7 | Confident | 88.7 | Confident | 164 Ų | 164 | 68 Ų | 68 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.2 | 177.2 | -63.8 | 175.2 | -167.1 | -164.1 | 6.5 | 114.1 | D80 F81 R82 I86 | D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.39Å; D80-R84 PolarHBondContact O-N 3.17Å; F81-R84 CarbonylContact O-C 3.51Å; F81-R84 PolarHBondContact O-N 3.32Å; R82-R84 PolarHBondContact O-N 3.36Å; R84-I86 HydrophobicContact CB-CD1 3.96Å; R84-I86 HydrophobicContact CB-CG1 3.94Å; R84-I86 PolarHBondContact O-N 2.96Å |
| 85 | G | 84.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 58% | 0.577 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 18.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F81 R82 K87 | F81-G85 PolarHBondContact O-N 3.35Å; R82-G85 PolarHBondContact O-N 3.26Å; G85-K87 PolarHBondContact O-N 3.38Å |
| 86 | I | 86 | Confident | 88.1 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | trans | -76.3 | 122.5 | 178.6 | -62.6 | 173.1 | 0 | 0 | 0 | 108.8 | F81 R84 D90 A91 | F81-I86 HydrophobicContact CB-CB 3.92Å; F81-I86 HydrophobicContact CB-CG2 4.26Å; F81-I86 HydrophobicContact CD1-CD1 3.93Å; F81-I86 HydrophobicContact CD2-CG2 4.16Å; F81-I86 HydrophobicContact CE1-CD1 4.44Å; F81-I86 HydrophobicContact CG-CB 4.17Å; F81-I86 HydrophobicContact CG-CD1 4.38Å; F81-I86 HydrophobicContact CG-CG2 4.08Å; F81-I86 PolarHBondContact O-N 3.03Å; R84-I86 HydrophobicContact CB-CD1 3.96Å; R84-I86 HydrophobicContact CB-CG1 3.94Å; R84-I86 PolarHBondContact O-N 2.96Å; I86-D90 HydrophobicContact CG2-CB 4.01Å; I86-A91 HydrophobicContact CG2-CB 4.4Å | ||
| 87 | K | 88.5 | Confident | 87.7 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 50% | 0.496 | 31% | 0.314 | S | S | . | . | trans | -89.3 | 167.4 | 175.5 | -65.3 | -178.7 | -176.2 | 175.3 | 0 | 112.1 | G85 E89 D90 A91 E135 | G85-K87 PolarHBondContact O-N 3.38Å; K87-E89 HydrophobicContact CB-CG 3.99Å; K87-E89 PolarHBondContact O-N 3.31Å; K87-D90 PolarHBondContact O-N 3.12Å; K87-D90 VanDerWaalsContact O-N 3.11Å; K87-A91 PolarHBondContact O-N 3.37Å; K87-E135 WeakPolarHBondContact CA-O 3Å; K87-E135 WeakPolarHBondContact CB-O 3.43Å | ||
| 88 | L | 89.3 | Confident | 87.7 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -36.4 | 177.3 | -176.9 | 62.6 | 0 | 0 | 0 | 112.2 | D90 A91 R92 M129 K130 L134 E135 | L88-D90 VanDerWaalsContact C-N 3.34Å; L88-D90 PolarHBondContact O-N 3.21Å; L88-A91 PolarHBondContact O-N 2.88Å; L88-R92 WeakPolarHBondContact O-CG 3.33Å; L88-R92 PolarHBondContact O-N 3.48Å; L88-M129 HydrophobicContact CD1-CB 4.09Å; L88-K130 HydrophobicContact CD2-CB 3.93Å; L88-K130 HydrophobicContact CD2-CD 4.3Å; L88-K130 HydrophobicContact CD2-CG 4.12Å; L88-L134 HydrophobicContact CB-CD2 4.39Å; L88-L134 HydrophobicContact CB-CG 4.24Å; L88-L134 HydrophobicContact CD1-CD2 4.08Å; L88-E135 WeakPolarHBondContact CB-OXT 3.48Å; L88-E135 PolarHBondContact N-O 2.83Å |
| 89 | E | 87.6 | Confident | 87.6 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 176.7 | 64.1 | -172.4 | 165.7 | 0 | 0 | 112.8 | K87 R92 | K87-E89 HydrophobicContact CB-CG 3.99Å; K87-E89 PolarHBondContact O-N 3.31Å; E89-R92 WeakPolarHBondContact O-CB 3.24Å; E89-R92 PolarHBondContact O-N 3.46Å |
| 90 | D | 85.5 | Confident | 87.4 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.9 | -35.3 | 175.8 | -68.1 | -52.1 | 0 | 0 | 0 | 112 | I86 K87 L88 R92 K93 | I86-D90 HydrophobicContact CG2-CB 4.01Å; K87-D90 PolarHBondContact O-N 3.12Å; K87-D90 VanDerWaalsContact O-N 3.11Å; L88-D90 VanDerWaalsContact C-N 3.34Å; L88-D90 PolarHBondContact O-N 3.21Å; D90-R92 PolarHBondContact O-N 3.36Å; D90-K93 VanDerWaalsContact O-CB 3.28Å; D90-K93 WeakPolarHBondContact O-CB 3.42Å; D90-K93 PolarHBondContact O-N 3.41Å; D90-K93 IonicContact OD1-NZ 3.74Å; D90-K93 PolarHBondContact OD1-NZ 3.26Å |
| 91 | A | 88 | Confident | 87.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -31.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F81 I86 K87 L88 K93 I94 Y126 M129 L134 | F81-A91 HydrophobicContact CD2-CB 4.13Å; F81-A91 HydrophobicContact CE2-CB 3.9Å; I86-A91 HydrophobicContact CG2-CB 4.4Å; K87-A91 PolarHBondContact O-N 3.37Å; L88-A91 PolarHBondContact O-N 2.88Å; A91-K93 PolarHBondContact O-N 2.9Å; A91-K93 VanDerWaalsContact O-N 3.17Å; A91-I94 HydrophobicContact CB-CD1 4.31Å; A91-I94 WeakPolarHBondContact O-CB 3.38Å; A91-I94 WeakPolarHBondContact O-CD1 3.14Å; A91-I94 WeakPolarHBondContact O-CG1 3.15Å; A91-I94 PolarHBondContact O-N 3.34Å; A91-Y126 WeakPolarHBondContact O-CE1 3.4Å; A91-Y126 PolarHBondContact O-OH 3.39Å; A91-M129 HydrophobicContact CB-SD 4.35Å; A91-L134 HydrophobicContact CB-CD2 3.87Å |
| 92 | R | 88.8 | Confident | 87.6 | Confident | 142 Ų | 142 | 62.5 Ų | 62.5 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.5 | 175.6 | -73.6 | 173.9 | -178.4 | -168.9 | 1.5 | 114.2 | L88 E89 D90 I94 K95 Y126 | L88-R92 WeakPolarHBondContact O-CG 3.33Å; L88-R92 PolarHBondContact O-N 3.48Å; E89-R92 WeakPolarHBondContact O-CB 3.24Å; E89-R92 PolarHBondContact O-N 3.46Å; D90-R92 PolarHBondContact O-N 3.36Å; R92-I94 PolarHBondContact O-N 2.97Å; R92-K95 PolarHBondContact O-N 3.02Å; R92-Y126 WeakPolarHBondContact CA-OH 3.1Å; R92-Y126 HydrophobicContact CG-CD1 4.22Å; R92-Y126 HydrophobicContact CG-CD2 4.31Å; R92-Y126 HydrophobicContact CG-CE1 4.19Å; R92-Y126 HydrophobicContact CG-CE2 4.27Å; R92-Y126 HydrophobicContact CG-CG 4.31Å; R92-Y126 PolarHBondContact O-OH 3.04Å |
| 93 | K | 85.7 | Confident | 87.6 | Confident | 80 Ų | 80 | 59 Ų | 59 | 35% | 0.348 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -18.5 | 174.6 | -59.3 | 171.2 | 179 | 160.7 | 0 | 112.4 | V32 D90 A91 K95 T96 G97 | V32-K93 HydrophobicContact CG2-CD 4.13Å; D90-K93 VanDerWaalsContact O-CB 3.28Å; D90-K93 WeakPolarHBondContact O-CB 3.42Å; D90-K93 PolarHBondContact O-N 3.41Å; D90-K93 IonicContact OD1-NZ 3.74Å; D90-K93 PolarHBondContact OD1-NZ 3.26Å; A91-K93 PolarHBondContact O-N 2.9Å; A91-K93 VanDerWaalsContact O-N 3.17Å; K93-K95 VanDerWaalsContact C-N 3.26Å; K93-K95 PolarHBondContact O-N 2.93Å; K93-T96 PolarHBondContact O-N 3.32Å; K93-G97 PolarHBondContact O-N 2.93Å; K93-G97 VanDerWaalsContact O-N 3.12Å |
| 94 | I | 88.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57 | -42.7 | 175 | -67.5 | 168.5 | 0 | 0 | 0 | 110.8 | L53 I57 F81 A91 R92 T96 G97 I98 F122 Y125 | L53-I94 HydrophobicContact CD1-CD1 4.35Å; L53-I94 HydrophobicContact CD1-CG2 4Å; L53-I94 HydrophobicContact CD2-CG2 4.34Å; I57-I94 HydrophobicContact CD1-CG2 4.37Å; F81-I94 HydrophobicContact CE1-CD1 4.5Å; F81-I94 HydrophobicContact CE2-CD1 3.65Å; F81-I94 HydrophobicContact CZ-CD1 3.38Å; A91-I94 HydrophobicContact CB-CD1 4.31Å; A91-I94 WeakPolarHBondContact O-CB 3.38Å; A91-I94 WeakPolarHBondContact O-CD1 3.14Å; A91-I94 WeakPolarHBondContact O-CG1 3.15Å; A91-I94 PolarHBondContact O-N 3.34Å; R92-I94 PolarHBondContact O-N 2.97Å; I94-T96 PolarHBondContact O-N 2.95Å; I94-G97 PolarHBondContact O-N 3.47Å; I94-I98 HydrophobicContact CG2-CG1 3.89Å; I94-I98 WeakPolarHBondContact O-CB 3.49Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.47Å; I94-F122 HydrophobicContact CG2-CE1 4.1Å; I94-Y125 HydrophobicContact CD1-CE1 4.42Å; I94-Y125 WeakPolarHBondContact CD1-OH 3.36Å |
| 95 | K | 90.9 | Very high | 88 | Confident | 52 Ų | 52 | 49.9 Ų | 49.9 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.7 | -53.7 | 177.4 | 169.8 | -177.6 | 167.4 | -162.4 | 0 | 110.4 | R92 K93 G97 I98 I99 E119 F122 Y126 | R92-K95 PolarHBondContact O-N 3.02Å; K93-K95 VanDerWaalsContact C-N 3.26Å; K93-K95 PolarHBondContact O-N 2.93Å; K95-G97 PolarHBondContact O-N 3.36Å; K95-I98 PolarHBondContact O-N 2.93Å; K95-I99 HydrophobicContact CG-CG1 4.1Å; K95-I99 WeakPolarHBondContact O-CB 3.37Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 2.87Å; K95-E119 VanDerWaalsContact CE-CD 3.5Å; K95-E119 WeakPolarHBondContact CE-OE1 3.3Å; K95-E119 WeakPolarHBondContact CE-OE2 3.39Å; K95-E119 IonicContact NZ-OE1 2.71Å; K95-E119 PolarHBondContact NZ-OE1 2.91Å; K95-E119 IonicContact NZ-OE2 2.61Å; K95-E119 PolarHBondContact NZ-OE2 3.21Å; K95-F122 HydrophobicContact CB-CB 4.37Å; K95-F122 HydrophobicContact CB-CD1 3.83Å; K95-F122 HydrophobicContact CB-CD2 3.9Å; K95-F122 HydrophobicContact CB-CE1 4.07Å; K95-F122 HydrophobicContact CB-CE2 4.12Å; K95-F122 HydrophobicContact CB-CG 3.76Å; K95-F122 HydrophobicContact CB-CZ 4.21Å; K95-F122 HydrophobicContact CD-CB 4.05Å; K95-F122 HydrophobicContact CD-CD2 4.21Å; K95-F122 HydrophobicContact CD-CG 4.17Å; K95-F122 HydrophobicContact CG-CB 4.3Å; K95-F122 HydrophobicContact CG-CD1 4.43Å; K95-F122 HydrophobicContact CG-CD2 3.63Å; K95-F122 HydrophobicContact CG-CE2 4.03Å; K95-F122 HydrophobicContact CG-CG 3.86Å; K95-Y126 HydrophobicContact CB-CE2 4.12Å; K95-Y126 WeakPolarHBondContact CB-OH 3.04Å; K95-Y126 PolarHBondContact N-OH 3.35Å |
| 96 | T | 86.5 | Confident | 88.1 | Confident | 78 Ų | 78 | 49 Ų | 49 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.6 | -49.8 | -178 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | K93 I94 I98 I99 Q100 | K93-T96 PolarHBondContact O-N 3.32Å; I94-T96 PolarHBondContact O-N 2.95Å; T96-I98 PolarHBondContact O-N 2.72Å; T96-I99 PolarHBondContact O-N 3.4Å; T96-Q100 HydrophobicContact CG2-CG 4.48Å; T96-Q100 WeakPolarHBondContact O-CB 3.36Å; T96-Q100 WeakPolarHBondContact O-CG 3.43Å; T96-Q100 PolarHBondContact O-N 3.41Å |
| 97 | G | 85.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L24 K93 I94 K95 F101 | L24-G97 WeakPolarHBondContact CD1-O 3.3Å; K93-G97 PolarHBondContact O-N 2.93Å; K93-G97 VanDerWaalsContact O-N 3.12Å; I94-G97 PolarHBondContact O-N 3.47Å; K95-G97 PolarHBondContact O-N 3.36Å; G97-F101 WeakPolarHBondContact O-CB 3.35Å; G97-F101 PolarHBondContact O-N 3.43Å |
| 98 | I | 90.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 177.5 | -69.8 | -74.8 | 0 | 0 | 0 | 110.9 | L24 L53 I57 I94 K95 T96 F101 I102 W118 F122 | L24-I98 HydrophobicContact CD1-CD1 3.72Å; L24-I98 HydrophobicContact CD1-CG1 4.21Å; L24-I98 HydrophobicContact CD2-CD1 3.62Å; L24-I98 HydrophobicContact CG-CD1 4.32Å; L53-I98 HydrophobicContact CD2-CD1 4.45Å; L53-I98 HydrophobicContact CG-CD1 4.3Å; I57-I98 HydrophobicContact CB-CD1 4.42Å; I57-I98 HydrophobicContact CG1-CD1 3.96Å; I57-I98 HydrophobicContact CG1-CG1 4.28Å; I57-I98 HydrophobicContact CG2-CG2 4.47Å; I94-I98 HydrophobicContact CG2-CG1 3.89Å; I94-I98 WeakPolarHBondContact O-CB 3.49Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 3.47Å; K95-I98 PolarHBondContact O-N 2.93Å; T96-I98 PolarHBondContact O-N 2.72Å; I98-F101 PolarHBondContact O-N 2.85Å; I98-I102 HydrophobicContact CG2-CD1 3.54Å; I98-I102 HydrophobicContact CG2-CG1 4.21Å; I98-I102 WeakPolarHBondContact O-CG1 3.37Å; I98-I102 PolarHBondContact O-N 3.44Å; I98-W118 HydrophobicContact CG2-CZ3 4.25Å; I98-F122 HydrophobicContact CB-CE2 4.44Å; I98-F122 HydrophobicContact CB-CZ 3.86Å; I98-F122 HydrophobicContact CG1-CZ 4.22Å; I98-F122 HydrophobicContact CG2-CE2 4.19Å; I98-F122 HydrophobicContact CG2-CZ 3.83Å |
| 99 | I | 90.1 | Very high | 86.7 | Confident | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | -177.2 | -63.8 | -67.3 | 0 | 0 | 0 | 111 | K95 T96 I102 K103 W110 W118 F122 | K95-I99 HydrophobicContact CG-CG1 4.1Å; K95-I99 WeakPolarHBondContact O-CB 3.37Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 2.87Å; T96-I99 PolarHBondContact O-N 3.4Å; I99-I102 PolarHBondContact O-N 3.26Å; I99-K103 HydrophobicContact CG2-CD 4.09Å; I99-K103 HydrophobicContact CG2-CG 4.48Å; I99-K103 WeakPolarHBondContact O-CB 3.18Å; I99-K103 VanDerWaalsContact O-CG 3.31Å; I99-K103 WeakPolarHBondContact O-CG 3.49Å; I99-K103 PolarHBondContact O-N 3.44Å; I99-W110 HydrophobicContact CD1-CH2 3.67Å; I99-W110 HydrophobicContact CD1-CZ3 3.62Å; I99-W110 HydrophobicContact CG2-CH2 4.08Å; I99-W110 HydrophobicContact CG2-CZ3 4.02Å; I99-W118 HydrophobicContact CD1-CB 3.55Å; I99-W118 HydrophobicContact CD1-CD2 3.71Å; I99-W118 HydrophobicContact CD1-CE3 3.97Å; I99-W118 HydrophobicContact CD1-CG 3.55Å; I99-F122 HydrophobicContact CD1-CD2 4.46Å; I99-F122 HydrophobicContact CD1-CE2 4.02Å; I99-F122 HydrophobicContact CG1-CE2 4.15Å |
| 100 | Q | 86.8 | Confident | 86.8 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.2 | -72.7 | 174.8 | -22.7 | 0 | 0 | 111.5 | Q27 T96 K103 S104 | Q27-Q100 HydrophobicContact CB-CB 4.49Å; Q27-Q100 HydrophobicContact CG-CB 4.43Å; T96-Q100 HydrophobicContact CG2-CG 4.48Å; T96-Q100 WeakPolarHBondContact O-CB 3.36Å; T96-Q100 WeakPolarHBondContact O-CG 3.43Å; T96-Q100 PolarHBondContact O-N 3.41Å; Q100-K103 PolarHBondContact O-N 3.15Å; Q100-S104 WeakPolarHBondContact O-CB 3.31Å; Q100-S104 PolarHBondContact O-N 2.88Å |
| 101 | F | 88.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -51.5 | 176.6 | 174 | -102.3 | 0 | 0 | 0 | 111.7 | C14 N20 Q23 L24 Q27 L54 G97 I98 K103 S104 K105 | C14-F101 HydrophobicContact CB-CE1 3.92Å; N20-F101 HydrophobicContact CB-CE2 4.08Å; N20-F101 HydrophobicContact CB-CZ 3.75Å; N20-F101 WeakPolarHBondContact O-CE2 3.46Å; Q23-F101 HydrophobicContact CB-CD2 4.26Å; Q23-F101 HydrophobicContact CB-CE2 4.08Å; L24-F101 HydrophobicContact CB-CB 4.46Å; L24-F101 HydrophobicContact CB-CD1 4.42Å; L24-F101 HydrophobicContact CB-CD2 3.94Å; L24-F101 HydrophobicContact CB-CE2 4.33Å; L24-F101 HydrophobicContact CB-CG 4Å; L24-F101 HydrophobicContact CD1-CB 3.61Å; L24-F101 HydrophobicContact CD1-CD1 4.27Å; L24-F101 HydrophobicContact CD1-CG 3.93Å; L24-F101 HydrophobicContact CG-CG 4.48Å; Q27-F101 HydrophobicContact CG-CB 4.4Å; L54-F101 HydrophobicContact CD1-CD1 4.45Å; L54-F101 HydrophobicContact CD1-CE1 4.06Å; L54-F101 HydrophobicContact CD2-CE1 3.68Å; L54-F101 HydrophobicContact CD2-CZ 4.06Å; G97-F101 WeakPolarHBondContact O-CB 3.35Å; G97-F101 PolarHBondContact O-N 3.43Å; I98-F101 PolarHBondContact O-N 2.85Å; F101-K103 PolarHBondContact O-N 3.38Å; F101-S104 WeakPolarHBondContact O-CB 3.49Å; F101-S104 PolarHBondContact O-N 2.62Å; F101-S104 VanDerWaalsContact O-N 3.13Å; F101-S104 PolarHBondContact O-OG 3.13Å; F101-K105 HydrophobicContact CE1-CG 4.28Å; F101-K105 HydrophobicContact CE2-CD 4.48Å; F101-K105 HydrophobicContact CE2-CG 4.19Å; F101-K105 HydrophobicContact CZ-CD 4.49Å; F101-K105 HydrophobicContact CZ-CG 3.94Å; F101-K105 PolarHBondContact O-N 3.12Å; F101-K105 VanDerWaalsContact O-N 3.15Å |
| 102 | I | 91 | Very high | 87 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 179.8 | -61.5 | 170.6 | 0 | 0 | 0 | 110.6 | H10 L11 I98 I99 S104 K105 I106 W110 W118 | H10-I102 HydrophobicContact CB-CG2 3.86Å; L11-I102 HydrophobicContact CD2-CD1 3.89Å; L11-I102 HydrophobicContact CD2-CG1 4.44Å; I98-I102 HydrophobicContact CG2-CD1 3.54Å; I98-I102 HydrophobicContact CG2-CG1 4.21Å; I98-I102 WeakPolarHBondContact O-CG1 3.37Å; I98-I102 PolarHBondContact O-N 3.44Å; I99-I102 PolarHBondContact O-N 3.26Å; I102-S104 VanDerWaalsContact C-N 3.25Å; I102-S104 PolarHBondContact O-N 2.94Å; I102-K105 PolarHBondContact O-N 3.41Å; I102-I106 HydrophobicContact CG2-CD1 3.55Å; I102-I106 HydrophobicContact CG2-CG1 4.08Å; I102-I106 WeakPolarHBondContact O-CG1 3.41Å; I102-I106 PolarHBondContact O-N 2.88Å; I102-W110 HydrophobicContact CB-CH2 4.28Å; I102-W110 HydrophobicContact CB-CZ2 3.89Å; I102-W110 HydrophobicContact CG2-CH2 4.17Å; I102-W110 HydrophobicContact CG2-CZ2 3.51Å; I102-W118 HydrophobicContact CD1-CH2 3.41Å; I102-W118 VanDerWaalsContact CD1-CH2 3.41Å; I102-W118 HydrophobicContact CD1-CZ2 3.33Å; I102-W118 HydrophobicContact CD1-CZ3 4.14Å |
| 103 | K | 89.2 | Confident | 87 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.6 | -40.7 | 175.6 | -77.6 | -177.5 | 173.9 | -173.1 | 0 | 111.7 | I99 Q100 F101 K105 I106 G107 W110 E115 | I99-K103 HydrophobicContact CG2-CD 4.09Å; I99-K103 HydrophobicContact CG2-CG 4.48Å; I99-K103 WeakPolarHBondContact O-CB 3.18Å; I99-K103 VanDerWaalsContact O-CG 3.31Å; I99-K103 WeakPolarHBondContact O-CG 3.49Å; I99-K103 PolarHBondContact O-N 3.44Å; Q100-K103 PolarHBondContact O-N 3.15Å; F101-K103 PolarHBondContact O-N 3.38Å; K103-K105 VanDerWaalsContact C-N 3.29Å; K103-K105 PolarHBondContact O-N 3.27Å; K103-I106 PolarHBondContact O-N 3.39Å; K103-G107 PolarHBondContact O-N 2.75Å; K103-W110 HydrophobicContact CG-CD2 4.08Å; K103-W110 HydrophobicContact CG-CH2 4.3Å; K103-W110 HydrophobicContact CG-CZ2 3.68Å; K103-E115 IonicContact NZ-OE1 2.78Å; K103-E115 PolarHBondContact NZ-OE1 3.06Å |
| 104 | S | 87.1 | Confident | 87.3 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.7 | -28.3 | 177.1 | 77.8 | 0 | 0 | 0 | 0 | 113.7 | Q100 F101 I102 | Q100-S104 WeakPolarHBondContact O-CB 3.31Å; Q100-S104 PolarHBondContact O-N 2.88Å; F101-S104 WeakPolarHBondContact O-CB 3.49Å; F101-S104 PolarHBondContact O-N 2.62Å; F101-S104 VanDerWaalsContact O-N 3.13Å; F101-S104 PolarHBondContact O-OG 3.13Å; I102-S104 VanDerWaalsContact C-N 3.25Å; I102-S104 PolarHBondContact O-N 2.94Å |
| 105 | K | 88.4 | Confident | 87.4 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -83.9 | -35.2 | 176.9 | -64.8 | -52.5 | -174.7 | -178.1 | 0 | 113.9 | N20 Q23 F101 I102 K103 | N20-K105 WeakPolarHBondContact OD1-CE 3.41Å; N20-K105 PolarHBondContact OD1-NZ 3.31Å; Q23-K105 VanDerWaalsContact OE1-CE 3.29Å; F101-K105 HydrophobicContact CE1-CG 4.28Å; F101-K105 HydrophobicContact CE2-CD 4.48Å; F101-K105 HydrophobicContact CE2-CG 4.19Å; F101-K105 HydrophobicContact CZ-CD 4.49Å; F101-K105 HydrophobicContact CZ-CG 3.94Å; F101-K105 PolarHBondContact O-N 3.12Å; F101-K105 VanDerWaalsContact O-N 3.15Å; I102-K105 PolarHBondContact O-N 3.41Å; K103-K105 VanDerWaalsContact C-N 3.29Å; K103-K105 PolarHBondContact O-N 3.27Å |
| 106 | I | 87.5 | Confident | 87.5 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76.6 | -31.8 | 179.8 | -61.2 | -179.6 | 0 | 0 | 0 | 111 | H10 K13 I102 K103 A108 W110 | H10-I106 HydrophobicContact CB-CD1 3.75Å; H10-I106 VanDerWaalsContact CG-CD1 3.47Å; K13-I106 HydrophobicContact CB-CG1 4.28Å; K13-I106 HydrophobicContact CD-CD1 4.23Å; K13-I106 HydrophobicContact CD-CG1 3.78Å; K13-I106 HydrophobicContact CD-CG2 4.38Å; I102-I106 HydrophobicContact CG2-CD1 3.55Å; I102-I106 HydrophobicContact CG2-CG1 4.08Å; I102-I106 WeakPolarHBondContact O-CG1 3.41Å; I102-I106 PolarHBondContact O-N 2.88Å; K103-I106 PolarHBondContact O-N 3.39Å; I106-A108 HydrophobicContact CG2-CB 4.08Å; I106-A108 PolarHBondContact O-N 3.39Å; I106-W110 HydrophobicContact CD1-CZ2 4.41Å |
| 107 | G | 79 | Confident | 87.8 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 76% | 0.763 | 33% | 0.334 | S | S | * | . | trans | 70.1 | 8.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K103 | K103-G107 PolarHBondContact O-N 2.75Š| ||
| 108 | A | 75 | Confident | 88.2 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -123.3 | 151.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I106 | I106-A108 HydrophobicContact CG2-CB 4.08Å; I106-A108 PolarHBondContact O-N 3.39Å |
| 109 | Q | 81.6 | Confident | 88.4 | Confident | 193 Ų | 193 | 66.2 Ų | 66.2 | 90% | 0.902 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 132.7 | 167.5 | -71.4 | -171.3 | -20.2 | 0 | 0 | 109.5 | ||
| 110 | W | 87.8 | Confident | 88.6 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 8% | 0.08 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 143.4 | 173.1 | -64.4 | -0.3 | 0 | 0 | 0 | 109.6 | H10 I99 I102 K103 I106 E114 E115 W118 | H10-W110 AromaticContact CE1-CD1 3.96Å; H10-W110 AromaticContact CE1-CD2 3.71Å; H10-W110 AromaticContact CE1-CE2 3.53Å; H10-W110 AromaticContact CE1-CZ2 3.97Å; H10-W110 AromaticContact CE1-NE1 3.66Å; H10-W110 AromaticContact ND1-CE2 3.52Å; H10-W110 AromaticContact ND1-CH2 3.9Å; H10-W110 AromaticContact ND1-CZ2 3.47Å; H10-W110 WeakPolarHBondContact ND1-CZ2 3.5Å; H10-W110 AromaticContact ND1-NE1 3.9Å; I99-W110 HydrophobicContact CD1-CH2 3.67Å; I99-W110 HydrophobicContact CD1-CZ3 3.62Å; I99-W110 HydrophobicContact CG2-CH2 4.08Å; I99-W110 HydrophobicContact CG2-CZ3 4.02Å; I102-W110 HydrophobicContact CB-CH2 4.28Å; I102-W110 HydrophobicContact CB-CZ2 3.89Å; I102-W110 HydrophobicContact CG2-CH2 4.17Å; I102-W110 HydrophobicContact CG2-CZ2 3.51Å; K103-W110 HydrophobicContact CG-CD2 4.08Å; K103-W110 HydrophobicContact CG-CH2 4.3Å; K103-W110 HydrophobicContact CG-CZ2 3.68Å; I106-W110 HydrophobicContact CD1-CZ2 4.41Å; W110-E114 HydrophobicContact CB-CB 4.11Å; W110-E114 HydrophobicContact CG-CB 4.49Å; W110-E115 HydrophobicContact CB-CG 3.82Å; W110-E115 HydrophobicContact CE3-CG 3.93Å; W110-W118 AromaticContact CE3-CD1 3.83Å; W110-W118 AromaticContact CH2-CD1 3.47Å; W110-W118 VanDerWaalsContact CH2-CD1 3.47Å; W110-W118 HydrophobicContact CH2-CD2 4.32Å; W110-W118 AromaticContact CH2-CG 4Å; W110-W118 HydrophobicContact CH2-CG 4Å; W110-W118 AromaticContact CH2-NE1 3.46Å; W110-W118 HydrophobicContact CZ3-CB 4.15Å; W110-W118 AromaticContact CZ3-CD1 3.08Å; W110-W118 HydrophobicContact CZ3-CD2 4.4Å; W110-W118 AromaticContact CZ3-CG 3.62Å; W110-W118 HydrophobicContact CZ3-CG 3.62Å; W110-W118 AromaticContact CZ3-NE1 3.6Å |
| 111 | S | 88.9 | Confident | 89.1 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 155.6 | 164.6 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | K113 E114 E115 | S111-K113 PolarHBondContact O-N 3.11Å; S111-K113 VanDerWaalsContact O-N 3.08Å; S111-E114 WeakPolarHBondContact CB-OE2 3.05Å; S111-E114 PolarHBondContact N-OE2 2.9Å; S111-E114 PolarHBondContact O-N 3.49Å; S111-E114 VanDerWaalsContact OG-CD 3.29Å; S111-E114 VanDerWaalsContact OG-CG 3.29Å; S111-E114 WeakPolarHBondContact OG-CG 3.48Å; S111-E114 PolarHBondContact OG-N 3.48Å; S111-E114 PolarHBondContact OG-OE2 2.88Å; S111-E115 PolarHBondContact O-N 3.43Å; S111-E115 VanDerWaalsContact O-N 3.08Å |
| 112 | V | 88.9 | Confident | 89.4 | Confident | 123 Ų | 123 | 63.8 Ų | 63.8 | 75% | 0.745 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -53.4 | -32.6 | 174 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | K116 | V112-K116 WeakPolarHBondContact O-CB 3.28Å; V112-K116 PolarHBondContact O-N 3.05Å; V112-K116 VanDerWaalsContact O-N 3.11Å |
| 113 | K | 89.5 | Confident | 89.6 | Confident | 137 Ų | 137 | 70 Ų | 70 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.7 | -49.6 | 177 | -174 | -179.1 | 176.3 | -173.5 | 0 | 111 | S111 E115 K116 E117 | S111-K113 PolarHBondContact O-N 3.11Å; S111-K113 VanDerWaalsContact O-N 3.08Å; K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 3.26Å; K113-K116 WeakPolarHBondContact O-CB 3.27Å; K113-K116 PolarHBondContact O-N 3.25Å; K113-K116 VanDerWaalsContact O-N 3.16Å; K113-E117 WeakPolarHBondContact O-CG 3.35Å; K113-E117 PolarHBondContact O-N 3.26Å; K113-E117 VanDerWaalsContact O-N 3.08Å |
| 114 | E | 91.2 | Very high | 89.8 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | -179.2 | -68 | 161.6 | 136.3 | 0 | 0 | 111.8 | V6 H10 W110 S111 K116 E117 W118 | V6-E114 HydrophobicContact CG1-CB 4.05Å; V6-E114 HydrophobicContact CG1-CG 3.71Å; H10-E114 IonicContact NE2-OE1 2.61Å; W110-E114 HydrophobicContact CB-CB 4.11Å; W110-E114 HydrophobicContact CG-CB 4.49Å; S111-E114 WeakPolarHBondContact CB-OE2 3.05Å; S111-E114 PolarHBondContact N-OE2 2.9Å; S111-E114 PolarHBondContact O-N 3.49Å; S111-E114 VanDerWaalsContact OG-CD 3.29Å; S111-E114 VanDerWaalsContact OG-CG 3.29Å; S111-E114 WeakPolarHBondContact OG-CG 3.48Å; S111-E114 PolarHBondContact OG-N 3.48Å; S111-E114 PolarHBondContact OG-OE2 2.88Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.82Å; E114-E117 PolarHBondContact O-N 3.18Å; E114-W118 PolarHBondContact O-N 3.12Å |
| 115 | E | 90.9 | Very high | 90.2 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 36% | 0.36 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 172.9 | -67.4 | -167.2 | 154.2 | 0 | 0 | 111.4 | K103 W110 S111 K113 E117 W118 E119 | K103-E115 IonicContact NZ-OE1 2.78Å; K103-E115 PolarHBondContact NZ-OE1 3.06Å; W110-E115 HydrophobicContact CB-CG 3.82Å; W110-E115 HydrophobicContact CE3-CG 3.93Å; S111-E115 PolarHBondContact O-N 3.43Å; S111-E115 VanDerWaalsContact O-N 3.08Å; K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 3.26Å; E115-E117 VanDerWaalsContact C-N 3.27Å; E115-E117 PolarHBondContact O-N 3.18Å; E115-W118 PolarHBondContact O-N 3.34Å; E115-E119 WeakPolarHBondContact O-CG 3.49Å; E115-E119 PolarHBondContact O-N 3.02Å |
| 116 | K | 92.6 | Very high | 90.5 | Very high | 136 Ų | 136 | 63.9 Ų | 63.9 | 59% | 0.591 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.4 | -33.3 | 177.6 | -172.4 | 176.6 | -178.2 | 177.1 | 0 | 113 | V112 K113 E114 E119 L120 | V112-K116 WeakPolarHBondContact O-CB 3.28Å; V112-K116 PolarHBondContact O-N 3.05Å; V112-K116 VanDerWaalsContact O-N 3.11Å; K113-K116 WeakPolarHBondContact O-CB 3.27Å; K113-K116 PolarHBondContact O-N 3.25Å; K113-K116 VanDerWaalsContact O-N 3.16Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.82Å; K116-E119 WeakPolarHBondContact O-CB 3.35Å; K116-E119 PolarHBondContact O-N 3.3Å; K116-L120 HydrophobicContact CG-CD1 4.48Å; K116-L120 WeakPolarHBondContact O-CG 3.37Å; K116-L120 PolarHBondContact O-N 3.06Å |
| 117 | E | 93.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.4 | -60.2 | -57 | 175.7 | 0 | 0 | 111.7 | V2 S3 L7 K113 E114 E115 L120 F121 | V2-E117 WeakPolarHBondContact CA-OE2 3.46Å; V2-E117 HydrophobicContact CG1-CB 4.25Å; S3-E117 VanDerWaalsContact CB-OE1 3.31Å; S3-E117 WeakPolarHBondContact CB-OE1 3.39Å; S3-E117 VanDerWaalsContact N-CD 3.27Å; S3-E117 PolarHBondContact N-OE2 3.05Å; S3-E117 PolarHBondContact OG-OE1 3.04Å; L7-E117 HydrophobicContact CD2-CB 3.89Å; K113-E117 WeakPolarHBondContact O-CG 3.35Å; K113-E117 PolarHBondContact O-N 3.26Å; K113-E117 VanDerWaalsContact O-N 3.08Å; E114-E117 PolarHBondContact O-N 3.18Å; E115-E117 VanDerWaalsContact C-N 3.27Å; E115-E117 PolarHBondContact O-N 3.18Å; E117-L120 PolarHBondContact O-N 3.31Å; E117-F121 PolarHBondContact O-N 3.23Å |
| 118 | W | 94.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 174.4 | -83.4 | 101.2 | 0 | 0 | 0 | 112.6 | L7 H10 L11 I57 V61 I98 I99 I102 W110 E114 E115 L120 F121 F122 | L7-W118 HydrophobicContact CB-CH2 4.43Å; L7-W118 HydrophobicContact CB-CZ2 4.1Å; L7-W118 HydrophobicContact CD2-CB 4.47Å; L7-W118 HydrophobicContact CD2-CD2 3.6Å; L7-W118 VanDerWaalsContact CD2-CE2 3.46Å; L7-W118 HydrophobicContact CD2-CE3 4.23Å; L7-W118 HydrophobicContact CD2-CG 3.68Å; L7-W118 HydrophobicContact CD2-CZ2 4Å; H10-W118 HydrophobicContact CB-CZ2 4.1Å; H10-W118 AromaticContact CE1-NE1 3.95Å; H10-W118 AromaticContact CG-NE1 3.9Å; H10-W118 AromaticContact ND1-CD1 3.92Å; H10-W118 AromaticContact ND1-NE1 3.11Å; H10-W118 PolarHBondContact ND1-NE1 3.31Å; H10-W118 VanDerWaalsContact ND1-NE1 3.11Å; L11-W118 HydrophobicContact CD1-CH2 3.99Å; L11-W118 HydrophobicContact CD2-CH2 4.07Å; L11-W118 HydrophobicContact CG-CH2 3.89Å; L11-W118 HydrophobicContact CG-CZ2 4.17Å; I57-W118 HydrophobicContact CG2-CZ3 4.36Å; V61-W118 HydrophobicContact CG2-CH2 4.42Å; I98-W118 HydrophobicContact CG2-CZ3 4.25Å; I99-W118 HydrophobicContact CD1-CB 3.55Å; I99-W118 HydrophobicContact CD1-CD2 3.71Å; I99-W118 HydrophobicContact CD1-CE3 3.97Å; I99-W118 HydrophobicContact CD1-CG 3.55Å; I102-W118 HydrophobicContact CD1-CH2 3.41Å; I102-W118 VanDerWaalsContact CD1-CH2 3.41Å; I102-W118 HydrophobicContact CD1-CZ2 3.33Å; I102-W118 HydrophobicContact CD1-CZ3 4.14Å; W110-W118 AromaticContact CE3-CD1 3.83Å; W110-W118 AromaticContact CH2-CD1 3.47Å; W110-W118 VanDerWaalsContact CH2-CD1 3.47Å; W110-W118 HydrophobicContact CH2-CD2 4.32Å; W110-W118 AromaticContact CH2-CG 4Å; W110-W118 HydrophobicContact CH2-CG 4Å; W110-W118 AromaticContact CH2-NE1 3.46Å; W110-W118 HydrophobicContact CZ3-CB 4.15Å; W110-W118 AromaticContact CZ3-CD1 3.08Å; W110-W118 HydrophobicContact CZ3-CD2 4.4Å; W110-W118 AromaticContact CZ3-CG 3.62Å; W110-W118 HydrophobicContact CZ3-CG 3.62Å; W110-W118 AromaticContact CZ3-NE1 3.6Å; E114-W118 PolarHBondContact O-N 3.12Å; E115-W118 PolarHBondContact O-N 3.34Å; W118-L120 VanDerWaalsContact C-N 3.34Å; W118-L120 PolarHBondContact O-N 2.95Å; W118-F121 HydrophobicContact CE3-CD1 4.05Å; W118-F121 HydrophobicContact CZ3-CD1 4.01Å; W118-F121 HydrophobicContact CZ3-CE1 4.24Å; W118-F121 PolarHBondContact O-N 2.89Å; W118-F122 HydrophobicContact CE3-CD2 4.07Å; W118-F122 AromaticContact CE3-CE2 3.58Å; W118-F122 HydrophobicContact CE3-CE2 3.58Å; W118-F122 HydrophobicContact CE3-CZ 4.44Å; W118-F122 AromaticContact CZ3-CE2 4Å; W118-F122 HydrophobicContact CZ3-CE2 4Å; W118-F122 HydrophobicContact CZ3-CZ 4.44Å; W118-F122 WeakPolarHBondContact O-CD2 3.34Å; W118-F122 PolarHBondContact O-N 3.43Å |
| 119 | E | 93.9 | Very high | 92.6 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.4 | -72.2 | -60.8 | 156.8 | 0 | 0 | 112 | K95 E115 K116 F122 K123 | K95-E119 VanDerWaalsContact CE-CD 3.5Å; K95-E119 WeakPolarHBondContact CE-OE1 3.3Å; K95-E119 WeakPolarHBondContact CE-OE2 3.39Å; K95-E119 IonicContact NZ-OE1 2.71Å; K95-E119 PolarHBondContact NZ-OE1 2.91Å; K95-E119 IonicContact NZ-OE2 2.61Å; K95-E119 PolarHBondContact NZ-OE2 3.21Å; E115-E119 WeakPolarHBondContact O-CG 3.49Å; E115-E119 PolarHBondContact O-N 3.02Å; K116-E119 WeakPolarHBondContact O-CB 3.35Å; K116-E119 PolarHBondContact O-N 3.3Å; E119-F122 PolarHBondContact O-N 2.88Å; E119-K123 VanDerWaalsContact O-CB 3.29Å; E119-K123 WeakPolarHBondContact O-CB 3.21Å; E119-K123 PolarHBondContact O-N 3.41Å |
| 120 | L | 94.6 | Very high | 93.2 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 179.5 | -71.1 | 172.6 | 0 | 0 | 0 | 112.3 | V2 K116 E117 W118 R124 | V2-L120 HydrophobicContact CG2-CB 3.37Å; V2-L120 HydrophobicContact CG2-CD1 4.11Å; V2-L120 HydrophobicContact CG2-CG 4.38Å; K116-L120 HydrophobicContact CG-CD1 4.48Å; K116-L120 WeakPolarHBondContact O-CG 3.37Å; K116-L120 PolarHBondContact O-N 3.06Å; E117-L120 PolarHBondContact O-N 3.31Å; W118-L120 VanDerWaalsContact C-N 3.34Å; W118-L120 PolarHBondContact O-N 2.95Å; L120-R124 PolarHBondContact O-N 3.46Å; L120-R124 VanDerWaalsContact O-N 3.15Å |
| 121 | F | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -53.9 | 172.4 | 170.3 | -94.5 | 0 | 0 | 0 | 111.2 | L7 I57 L60 V61 Y64 F70 E117 W118 K123 R124 Y125 | L7-F121 HydrophobicContact CD1-CB 3.66Å; L7-F121 HydrophobicContact CD1-CD2 3.99Å; L7-F121 HydrophobicContact CD1-CG 3.93Å; I57-F121 HydrophobicContact CD1-CE1 4.36Å; I57-F121 HydrophobicContact CG2-CE1 4.22Å; I57-F121 HydrophobicContact CG2-CZ 4.3Å; L60-F121 HydrophobicContact CB-CE2 4.12Å; L60-F121 HydrophobicContact CB-CZ 3.97Å; V61-F121 HydrophobicContact CB-CE2 4.45Å; V61-F121 HydrophobicContact CG2-CD2 3.92Å; V61-F121 HydrophobicContact CG2-CE1 4.4Å; V61-F121 HydrophobicContact CG2-CE2 3.48Å; V61-F121 VanDerWaalsContact CG2-CE2 3.48Å; V61-F121 HydrophobicContact CG2-CZ 3.77Å; Y64-F121 AromaticContact CD2-CD2 3.71Å; Y64-F121 HydrophobicContact CD2-CD2 3.71Å; Y64-F121 HydrophobicContact CD2-CE2 4.15Å; Y64-F121 AromaticContact CE2-CD2 3.8Å; Y64-F121 HydrophobicContact CE2-CD2 3.8Å; F70-F121 HydrophobicContact CE2-CE2 4.3Å; E117-F121 PolarHBondContact O-N 3.23Å; W118-F121 HydrophobicContact CE3-CD1 4.05Å; W118-F121 HydrophobicContact CZ3-CD1 4.01Å; W118-F121 HydrophobicContact CZ3-CE1 4.24Å; W118-F121 PolarHBondContact O-N 2.89Å; F121-K123 VanDerWaalsContact C-N 3.31Å; F121-K123 PolarHBondContact O-N 3.37Å; F121-R124 PolarHBondContact O-N 2.98Å; F121-Y125 WeakPolarHBondContact O-CB 3.29Å; F121-Y125 PolarHBondContact O-N 2.88Å |
| 122 | F | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -33 | -177.9 | -85.3 | -65 | 0 | 0 | 0 | 112.6 | I57 I94 K95 I98 I99 W118 E119 Y125 Y126 | I57-F122 HydrophobicContact CD1-CE1 4.33Å; I94-F122 HydrophobicContact CG2-CE1 4.1Å; K95-F122 HydrophobicContact CB-CB 4.37Å; K95-F122 HydrophobicContact CB-CD1 3.83Å; K95-F122 HydrophobicContact CB-CD2 3.9Å; K95-F122 HydrophobicContact CB-CE1 4.07Å; K95-F122 HydrophobicContact CB-CE2 4.12Å; K95-F122 HydrophobicContact CB-CG 3.76Å; K95-F122 HydrophobicContact CB-CZ 4.21Å; K95-F122 HydrophobicContact CD-CB 4.05Å; K95-F122 HydrophobicContact CD-CD2 4.21Å; K95-F122 HydrophobicContact CD-CG 4.17Å; K95-F122 HydrophobicContact CG-CB 4.3Å; K95-F122 HydrophobicContact CG-CD1 4.43Å; K95-F122 HydrophobicContact CG-CD2 3.63Å; K95-F122 HydrophobicContact CG-CE2 4.03Å; K95-F122 HydrophobicContact CG-CG 3.86Å; I98-F122 HydrophobicContact CB-CE2 4.44Å; I98-F122 HydrophobicContact CB-CZ 3.86Å; I98-F122 HydrophobicContact CG1-CZ 4.22Å; I98-F122 HydrophobicContact CG2-CE2 4.19Å; I98-F122 HydrophobicContact CG2-CZ 3.83Å; I99-F122 HydrophobicContact CD1-CD2 4.46Å; I99-F122 HydrophobicContact CD1-CE2 4.02Å; I99-F122 HydrophobicContact CG1-CE2 4.15Å; W118-F122 HydrophobicContact CE3-CD2 4.07Å; W118-F122 AromaticContact CE3-CE2 3.58Å; W118-F122 HydrophobicContact CE3-CE2 3.58Å; W118-F122 HydrophobicContact CE3-CZ 4.44Å; W118-F122 AromaticContact CZ3-CE2 4Å; W118-F122 HydrophobicContact CZ3-CE2 4Å; W118-F122 HydrophobicContact CZ3-CZ 4.44Å; W118-F122 WeakPolarHBondContact O-CD2 3.34Å; W118-F122 PolarHBondContact O-N 3.43Å; E119-F122 PolarHBondContact O-N 2.88Å; F122-Y125 AromaticContact CD1-CD1 3.95Å; F122-Y125 HydrophobicContact CD1-CD1 3.95Å; F122-Y125 HydrophobicContact CE1-CD1 4.37Å; F122-Y125 WeakPolarHBondContact O-CB 3.31Å; F122-Y125 PolarHBondContact O-N 2.78Å; F122-Y126 HydrophobicContact CB-CD2 4.31Å; F122-Y126 HydrophobicContact CB-CE2 3.84Å; F122-Y126 HydrophobicContact CD1-CE2 4Å; F122-Y126 AromaticContact CD1-CZ 3.86Å; F122-Y126 HydrophobicContact CG-CE2 4.29Å; F122-Y126 WeakPolarHBondContact O-CD2 3.41Å; F122-Y126 PolarHBondContact O-N 2.89Å |
| 123 | K | 94.8 | Very high | 93.4 | Very high | 131 Ų | 131 | 59.3 Ų | 59.3 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.1 | -52.2 | 170.6 | -177.8 | 177.4 | 178.3 | -178.5 | 0 | 111.1 | E119 F121 Y125 Y126 D127 | E119-K123 VanDerWaalsContact O-CB 3.29Å; E119-K123 WeakPolarHBondContact O-CB 3.21Å; E119-K123 PolarHBondContact O-N 3.41Å; F121-K123 VanDerWaalsContact C-N 3.31Å; F121-K123 PolarHBondContact O-N 3.37Å; K123-Y125 VanDerWaalsContact C-N 3.31Å; K123-Y125 PolarHBondContact O-N 2.96Å; K123-Y126 PolarHBondContact O-N 3.2Å; K123-D127 WeakPolarHBondContact O-CB 3.18Å; K123-D127 PolarHBondContact O-N 2.93Å |
| 124 | R | 94.5 | Very high | 93.5 | Very high | 55 Ų | 55 | 53 Ų | 53 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.4 | -179.3 | 179.2 | 178.6 | -172.7 | -6.8 | 111.9 | Y64 E67 F70 L120 F121 D127 A128 | Y64-R124 HydrophobicContact CE2-CB 4.39Å; Y64-R124 VanDerWaalsContact CZ-NH1 3.3Å; Y64-R124 PolarHBondContact O-NH1 3.36Å; Y64-R124 PolarHBondContact O-NH2 3.46Å; Y64-R124 WeakPolarHBondContact OH-CD 3.35Å; E67-R124 IonicContact OE2-CZ 2.67Å; E67-R124 IonicContact OE2-NH2 2.69Å; E67-R124 PolarHBondContact OE2-NH2 2.91Å; F70-R124 HydrophobicContact CE1-CG 4.16Å; F70-R124 HydrophobicContact CZ-CG 4.16Å; L120-R124 PolarHBondContact O-N 3.46Å; L120-R124 VanDerWaalsContact O-N 3.15Å; F121-R124 PolarHBondContact O-N 2.98Å; R124-D127 PolarHBondContact O-N 3.15Å; R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 2.92Å; R124-A128 PolarHBondContact O-N 3.4Å |
| 125 | Y | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.3 | -50.5 | 177.7 | 173.6 | -104.1 | 0 | 0 | 0 | 111.7 | I57 L60 I74 Q77 I94 F121 F122 K123 A128 M129 | I57-Y125 HydrophobicContact CD1-CE2 4.23Å; L60-Y125 HydrophobicContact CD1-CD2 3.58Å; L60-Y125 HydrophobicContact CD1-CE2 3.49Å; L60-Y125 VanDerWaalsContact CD1-CE2 3.49Å; I74-Y125 HydrophobicContact CD1-CD2 3.37Å; I74-Y125 HydrophobicContact CD1-CE2 3.66Å; I74-Y125 HydrophobicContact CD1-CG 4.34Å; Q77-Y125 VanDerWaalsContact OE1-CE2 3.26Å; Q77-Y125 VanDerWaalsContact OE1-CZ 3.29Å; Q77-Y125 PolarHBondContact OE1-OH 2.96Å; I94-Y125 HydrophobicContact CD1-CE1 4.42Å; I94-Y125 WeakPolarHBondContact CD1-OH 3.36Å; F121-Y125 WeakPolarHBondContact O-CB 3.29Å; F121-Y125 PolarHBondContact O-N 2.88Å; F122-Y125 AromaticContact CD1-CD1 3.95Å; F122-Y125 HydrophobicContact CD1-CD1 3.95Å; F122-Y125 HydrophobicContact CE1-CD1 4.37Å; F122-Y125 WeakPolarHBondContact O-CB 3.31Å; F122-Y125 PolarHBondContact O-N 2.78Å; K123-Y125 VanDerWaalsContact C-N 3.31Å; K123-Y125 PolarHBondContact O-N 2.96Å; Y125-A128 PolarHBondContact O-N 3.14Å; Y125-M129 HydrophobicContact CD1-SD 4.17Å; Y125-M129 HydrophobicContact CD2-CE 4.42Å; Y125-M129 HydrophobicContact CE1-CE 3.8Å; Y125-M129 HydrophobicContact CE1-SD 3.61Å; Y125-M129 HydrophobicContact CE2-CE 3.51Å; Y125-M129 HydrophobicContact CE2-SD 4.22Å; Y125-M129 WeakPolarHBondContact O-CG 2.96Å; Y125-M129 PolarHBondContact O-N 3.27Å; Y125-M129 WeakPolarHBondContact OH-CE 3.21Å |
| 126 | Y | 95.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 9% | 0.09 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.2 | -36 | 179 | -61.9 | -47.5 | 0 | 0 | 0 | 113.5 | A91 R92 K95 F122 K123 A128 M129 K130 | A91-Y126 WeakPolarHBondContact O-CE1 3.4Å; A91-Y126 PolarHBondContact O-OH 3.39Å; R92-Y126 WeakPolarHBondContact CA-OH 3.1Å; R92-Y126 HydrophobicContact CG-CD1 4.22Å; R92-Y126 HydrophobicContact CG-CD2 4.31Å; R92-Y126 HydrophobicContact CG-CE1 4.19Å; R92-Y126 HydrophobicContact CG-CE2 4.27Å; R92-Y126 HydrophobicContact CG-CG 4.31Å; R92-Y126 PolarHBondContact O-OH 3.04Å; K95-Y126 HydrophobicContact CB-CE2 4.12Å; K95-Y126 WeakPolarHBondContact CB-OH 3.04Å; K95-Y126 PolarHBondContact N-OH 3.35Å; F122-Y126 HydrophobicContact CB-CD2 4.31Å; F122-Y126 HydrophobicContact CB-CE2 3.84Å; F122-Y126 HydrophobicContact CD1-CE2 4Å; F122-Y126 AromaticContact CD1-CZ 3.86Å; F122-Y126 HydrophobicContact CG-CE2 4.29Å; F122-Y126 WeakPolarHBondContact O-CD2 3.41Å; F122-Y126 PolarHBondContact O-N 2.89Å; K123-Y126 PolarHBondContact O-N 3.2Å; Y126-A128 VanDerWaalsContact C-N 3.31Å; Y126-M129 HydrophobicContact CD1-SD 4.39Å; Y126-M129 PolarHBondContact O-N 3.35Å; Y126-K130 WeakPolarHBondContact O-CB 3.33Å; Y126-K130 PolarHBondContact O-N 2.68Å |
| 127 | D | 94.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 174.1 | -72.3 | -18.7 | 0 | 0 | 0 | 110.4 | K123 R124 K130 Q131 | K123-D127 WeakPolarHBondContact O-CB 3.18Å; K123-D127 PolarHBondContact O-N 2.93Å; R124-D127 PolarHBondContact O-N 3.15Å; D127-K130 PolarHBondContact O-N 3.28Å; D127-Q131 VanDerWaalsContact O-CB 3.28Å; D127-Q131 WeakPolarHBondContact O-CB 3.16Å; D127-Q131 PolarHBondContact O-N 2.68Å |
| 128 | A | 94.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F70 I74 R124 Y125 Y126 K130 Q131 H132 | F70-A128 HydrophobicContact CE1-CB 4.13Å; I74-A128 HydrophobicContact CD1-CB 4.35Å; I74-A128 HydrophobicContact CG1-CB 4.09Å; I74-A128 HydrophobicContact CG2-CB 4.12Å; R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 2.92Å; R124-A128 PolarHBondContact O-N 3.4Å; Y125-A128 PolarHBondContact O-N 3.14Å; Y126-A128 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 3.44Å; A128-Q131 PolarHBondContact O-N 2.96Å; A128-H132 WeakPolarHBondContact O-CB 2.99Å; A128-H132 PolarHBondContact O-CD2 3.3Å; A128-H132 PolarHBondContact O-N 3.25Å |
| 129 | M | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 175.7 | -76.4 | -173.4 | 156.1 | 0 | 0 | 112.2 | I74 Q77 I78 F81 L88 A91 Y125 Y126 H132 G133 L134 | I74-M129 HydrophobicContact CD1-CG 4.34Å; I74-M129 HydrophobicContact CG2-CG 4.11Å; Q77-M129 HydrophobicContact CB-CE 4.03Å; Q77-M129 VanDerWaalsContact OE1-CE 3.23Å; I78-M129 HydrophobicContact CG1-CG 4.4Å; F81-M129 HydrophobicContact CD2-CE 4.1Å; F81-M129 HydrophobicContact CE2-CE 3.51Å; F81-M129 HydrophobicContact CE2-SD 4.13Å; F81-M129 HydrophobicContact CZ-CE 4.26Å; L88-M129 HydrophobicContact CD1-CB 4.09Å; A91-M129 HydrophobicContact CB-SD 4.35Å; Y125-M129 HydrophobicContact CD1-SD 4.17Å; Y125-M129 HydrophobicContact CD2-CE 4.42Å; Y125-M129 HydrophobicContact CE1-CE 3.8Å; Y125-M129 HydrophobicContact CE1-SD 3.61Å; Y125-M129 HydrophobicContact CE2-CE 3.51Å; Y125-M129 HydrophobicContact CE2-SD 4.22Å; Y125-M129 WeakPolarHBondContact O-CG 2.96Å; Y125-M129 PolarHBondContact O-N 3.27Å; Y125-M129 WeakPolarHBondContact OH-CE 3.21Å; Y126-M129 HydrophobicContact CD1-SD 4.39Å; Y126-M129 PolarHBondContact O-N 3.35Å; M129-H132 CarbonylContact O-C 3.45Å; M129-H132 PolarHBondContact O-N 2.71Å; M129-G133 PolarHBondContact O-N 2.94Å; M129-L134 HydrophobicContact CB-CB 4.18Å; M129-L134 HydrophobicContact CB-CD2 4.15Å; M129-L134 HydrophobicContact CG-CD2 4.44Å; M129-L134 WeakPolarHBondContact O-CB 3.4Å; M129-L134 PolarHBondContact O-N 3.18Å; M129-L134 HydrophobicContact SD-CD2 3.95Å |
| 130 | K | 94.4 | Very high | 93.1 | Very high | 141 Ų | 141 | 58.6 Ų | 58.6 | 61% | 0.613 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 176.5 | -174.3 | 178.5 | 179 | -180 | 0 | 111.6 | L88 Y126 D127 A128 H132 G133 | L88-K130 HydrophobicContact CD2-CB 3.93Å; L88-K130 HydrophobicContact CD2-CD 4.3Å; L88-K130 HydrophobicContact CD2-CG 4.12Å; Y126-K130 WeakPolarHBondContact O-CB 3.33Å; Y126-K130 PolarHBondContact O-N 2.68Å; D127-K130 PolarHBondContact O-N 3.28Å; A128-K130 PolarHBondContact O-N 3.44Å; K130-H132 PolarHBondContact O-N 3.21Å; K130-G133 PolarHBondContact O-N 2.87Å |
| 131 | Q | 93 | Very high | 93 | Very high | 143 Ų | 143 | 58.4 Ų | 58.4 | 67% | 0.668 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.8 | -32.8 | 178.8 | -177.4 | 178.4 | 6.9 | 0 | 0 | 112.4 | D127 A128 G133 | D127-Q131 VanDerWaalsContact O-CB 3.28Å; D127-Q131 WeakPolarHBondContact O-CB 3.16Å; D127-Q131 PolarHBondContact O-N 2.68Å; A128-Q131 PolarHBondContact O-N 2.96Å; Q131-G133 VanDerWaalsContact C-N 3.31Å |
| 132 | H | 89.9 | Confident | 92.8 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 10.7 | 178.2 | -68.6 | -54.9 | 0 | 0 | 0 | 113.6 | I78 A128 M129 K130 | I78-H132 HydrophobicContact CD1-CB 3.36Å; A128-H132 WeakPolarHBondContact O-CB 2.99Å; A128-H132 PolarHBondContact O-CD2 3.3Å; A128-H132 PolarHBondContact O-N 3.25Å; M129-H132 CarbonylContact O-C 3.45Å; M129-H132 PolarHBondContact O-N 2.71Å; K130-H132 PolarHBondContact O-N 3.21Å |
| 133 | G | 87.4 | Confident | 92.6 | Very high | 27 Ų | 27 | 67.4 Ų | 67.4 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | 20.2 | 165 | 0 | 0 | 0 | 0 | 0 | 115.1 | R82 M129 K130 Q131 E135 | R82-G133 VanDerWaalsContact NH2-C 3.29Å; R82-G133 PolarHBondContact NH2-O 2.98Å; M129-G133 PolarHBondContact O-N 2.94Å; K130-G133 PolarHBondContact O-N 2.87Å; Q131-G133 VanDerWaalsContact C-N 3.31Å; G133-E135 PolarHBondContact O-N 3.08Å |
| 134 | L | 90.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -77.8 | 114.3 | 162.1 | -165 | 71.4 | 0 | 0 | 0 | 108.4 | I78 F81 R82 L88 A91 M129 | I78-L134 HydrophobicContact CD1-CB 4.45Å; I78-L134 HydrophobicContact CG1-CB 4.17Å; I78-L134 HydrophobicContact CG2-CB 4.46Å; I78-L134 HydrophobicContact CG2-CD1 4.41Å; F81-L134 HydrophobicContact CB-CD1 4.04Å; F81-L134 HydrophobicContact CD2-CD2 3.82Å; R82-L134 HydrophobicContact CG-CD1 4.5Å; L88-L134 HydrophobicContact CB-CD2 4.39Å; L88-L134 HydrophobicContact CB-CG 4.24Å; L88-L134 HydrophobicContact CD1-CD2 4.08Å; A91-L134 HydrophobicContact CB-CD2 3.87Å; M129-L134 HydrophobicContact CB-CB 4.18Å; M129-L134 HydrophobicContact CB-CD2 4.15Å; M129-L134 HydrophobicContact CG-CD2 4.44Å; M129-L134 WeakPolarHBondContact O-CB 3.4Å; M129-L134 PolarHBondContact O-N 3.18Å; M129-L134 HydrophobicContact SD-CD2 3.95Å | ||
| 135 | E | 84.6 | Confident | 92.2 | Very high | 203 Ų | 203 | 62.7 Ų | 62.7 | 95% | 0.949 | 31% | 0.31 | S | S | * | . | trans | -100.8 | 0 | -178.8 | -62.3 | -173.2 | 123.8 | 0 | 0 | 112.1 | K87 L88 G133 | K87-E135 WeakPolarHBondContact CA-O 3Å; K87-E135 WeakPolarHBondContact CB-O 3.43Å; L88-E135 WeakPolarHBondContact CB-OXT 3.48Å; L88-E135 PolarHBondContact N-O 2.83Å; G133-E135 PolarHBondContact O-N 3.08Å |
Retrieved 135 of 135 residues in 61.5 ms
(Link to these results)