A0A077Z3F6_TRITR Loading...

AP 3 complex subunit mu 1

AlphaFold DB , UniProt , Accession A0A077Z3F6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 400 aa.

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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
1M85.8Confident94.1Very high46 Ų4631.3 Ų31.323%0.22716%0.155CC..  01530-57.5-44.7-56.600109.6E3 V70 L74 G120 Y121M1-E3 PolarHBondContact O-N 3.18Å; M1-V70 WeakPolarHBondContact O-CG1 3.16Å; M1-L74 HydrophobicContact SD-CD2 4.47Å; M1-G120 WeakPolarHBondContact CE-O 3.19Å; M1-Y121 HydrophobicContact CB-CE2 4.41Å; M1-Y121 HydrophobicContact CE-CD1 3.02Å; M1-Y121 HydrophobicContact CE-CD2 3.83Å; M1-Y121 HydrophobicContact CE-CE1 3.12Å; M1-Y121 HydrophobicContact CE-CE2 3.92Å; M1-Y121 HydrophobicContact CE-CG 3.38Å; M1-Y121 HydrophobicContact CG-CD2 4.33Å; M1-Y121 HydrophobicContact CG-CE1 3.94Å; M1-Y121 HydrophobicContact CG-CE2 3.62Å; M1-Y121 WeakPolarHBondContact CG-OH 3.27Å; M1-Y121 HydrophobicContact SD-CD1 3.94Å; M1-Y121 HydrophobicContact SD-CE1 3.33Å; M1-Y121 WeakPolarHBondContact SD-CE1 3.5Å; M1-Y121 HydrophobicContact SD-CE2 4.16Å
2I94Very high93.9Very high3 Ų330.6 Ų30.62%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-66.7121.7-177.7-60169.8000108.4W20 A68 V70 V79 F82 L117 G120I2-W20 HydrophobicContact CG2-CE3 4.26Å; I2-W20 HydrophobicContact CG2-CZ3 3.93Å; I2-A68 HydrophobicContact CG2-CB 4.24Å; I2-V70 HydrophobicContact CG1-CG2 4.36Å; I2-V79 HydrophobicContact CD1-CB 4.4Å; I2-V79 HydrophobicContact CD1-CG1 4.01Å; I2-V79 HydrophobicContact CD1-CG2 4Å; I2-V79 HydrophobicContact CG1-CG1 4.19Å; I2-V79 HydrophobicContact CG1-CG2 3.87Å; I2-F82 HydrophobicContact CD1-CD1 3.63Å; I2-F82 HydrophobicContact CD1-CE1 4.12Å; I2-F82 HydrophobicContact CD1-CG 4.2Å; I2-L117 HydrophobicContact CB-CD1 4.37Å; I2-L117 HydrophobicContact CB-CD2 4.2Å; I2-L117 HydrophobicContact CD1-CD1 3.81Å; I2-L117 HydrophobicContact CG2-CD2 4.19Å; I2-G120 PolarHBondContact N-O 3.38Å; I2-G120 VanDerWaalsContact N-O 3.14Å; I2-G120 WeakPolarHBondContact O-CA 3.33Å
3E94.8Very high93.9Very high15 Ų1535.3 Ų35.37%0.0719%0.187CC..EExtended strand (participates in β ladder)trans-100.1-33.4179.2-69.8-165.8162.200111.6M1 W20 I24 H54 A69 K71M1-E3 PolarHBondContact O-N 3.18Å; E3-W20 PolarHBondContact O-N 2.97Å; E3-I24 HydrophobicContact CB-CD1 3.67Å; E3-H54 IonicContact OE2-CD2 3.63Å; E3-H54 IonicContact OE2-NE2 2.95Å; E3-H54 PolarHBondContact OE2-NE2 2.99Å; E3-A69 PolarHBondContact N-O 2.74Å; E3-K71 VanDerWaalsContact CD-CB 3.49Å; E3-K71 HydrophobicContact CG-CB 4.27Å; E3-K71 VanDerWaalsContact OE1-CB 3.27Å; E3-K71 WeakPolarHBondContact OE1-CB 3.4Å; E3-K71 WeakPolarHBondContact OE1-CD 3.36Å
4S96.1Very high94Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-150.9153.7-179.3-52.80000112.4K18 H19 I24 A68 A69S4-K18 CarbonylContact C-O 3.46Å; S4-K18 WeakPolarHBondContact CA-O 2.8Å; S4-K18 WeakPolarHBondContact CB-O 3.41Å; S4-H19 WeakPolarHBondContact CB-ND1 3.48Å; S4-H19 PolarHBondContact OG-ND1 3.06Å; S4-I24 WeakPolarHBondContact OG-CD1 3.44Å; S4-I24 WeakPolarHBondContact OG-CG1 3.5Å; S4-A68 CarbonylContact O-C 3.52Å; S4-A68 VanDerWaalsContact O-CA 3.3Å; S4-A68 WeakPolarHBondContact O-CA 3.49Å; S4-A69 PolarHBondContact N-O 3.36Å; S4-A69 PolarHBondContact O-N 3.24Å
5L97Very high94Very high1 Ų134.3 Ų34.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-124.9130.1173.4171.363.2000108.2E17 K18 W20 F66 V67 L83 L113L5-E17 CarbonylContact O-C 3.51Å; L5-E17 WeakPolarHBondContact O-CA 3.33Å; L5-K18 PolarHBondContact N-O 2.59Å; L5-K18 PolarHBondContact O-N 3.1Å; L5-W20 HydrophobicContact CB-CH2 3.5Å; L5-W20 VanDerWaalsContact CB-CH2 3.5Å; L5-W20 HydrophobicContact CB-CZ3 3.52Å; L5-W20 HydrophobicContact CD2-CH2 4.13Å; L5-W20 HydrophobicContact CG-CH2 4.47Å; L5-F66 HydrophobicContact CD1-CB 4.32Å; L5-F66 HydrophobicContact CD1-CD1 4.41Å; L5-V67 WeakPolarHBondContact CA-O 3.43Å; L5-L83 HydrophobicContact CD1-CD2 3.49Å; L5-L83 VanDerWaalsContact CD1-CD2 3.49Å; L5-L113 HydrophobicContact CD2-CD1 4.22Å; L5-L113 HydrophobicContact CD2-CD2 3.81Å
6F97.5Very high94.1Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-117.2136.4171.8-55.1-84.2000108.8I14 L16 E17 H19 V28 V67 A69F6-I14 HydrophobicContact CB-CG2 4.48Å; F6-I14 HydrophobicContact CD1-CD1 4.43Å; F6-I14 HydrophobicContact CD1-CG2 4.19Å; F6-L16 CarbonylContact C-O 3.53Å; F6-L16 WeakPolarHBondContact CA-O 3.32Å; F6-E17 HydrophobicContact CD1-CB 3.66Å; F6-E17 HydrophobicContact CE1-CB 3.88Å; F6-H19 AromaticContact CE1-CE1 3.9Å; F6-H19 AromaticContact CZ-CE1 3.86Å; F6-V28 HydrophobicContact CE2-CG1 3.9Å; F6-V28 HydrophobicContact CZ-CG1 4.13Å; F6-V67 HydrophobicContact CB-CB 4.46Å; F6-V67 PolarHBondContact N-O 3.27Å; F6-V67 PolarHBondContact O-N 2.98Å; F6-A69 HydrophobicContact CE2-CB 4.28Å
7V97.7Very high94.2Very high3 Ų333.4 Ų33.42%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-108.9126.6168.9-1730000108.2I14 T15 L16 L64 F65 F66 I102V7-I14 CarbonylContact O-C 3.55Å; V7-I14 WeakPolarHBondContact O-CA 3.43Å; V7-T15 PolarHBondContact O-N 2.74Å; V7-T15 PolarHBondContact O-OG1 2.95Å; V7-L16 HydrophobicContact CB-CB 4.07Å; V7-L16 HydrophobicContact CG2-CB 4.03Å; V7-L16 HydrophobicContact CG2-CD2 3.92Å; V7-L16 PolarHBondContact N-O 2.92Å; V7-L64 HydrophobicContact CG1-CB 4.32Å; V7-L64 HydrophobicContact CG1-CD1 4.24Å; V7-F65 CarbonylContact C-O 3.59Å; V7-F65 WeakPolarHBondContact CA-O 3.33Å; V7-F66 HydrophobicContact CG1-CE1 4.21Å; V7-F66 HydrophobicContact CG1-CE2 4.31Å; V7-F66 HydrophobicContact CG1-CZ 4.06Å; V7-F66 HydrophobicContact CG2-CD1 3.7Å; V7-F66 HydrophobicContact CG2-CE1 3.61Å; V7-F66 HydrophobicContact CG2-CG 4.45Å; V7-F66 HydrophobicContact CG2-CZ 4.3Å; V7-I102 HydrophobicContact CG1-CD1 3.74Å
8I97Very high94.2Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-123127.8-171.9-53.4176.5000108.4D13 I14 F32 F33 F65 V67I8-D13 WeakPolarHBondContact CA-O 3.39Å; I8-I14 HydrophobicContact CG1-CG1 4.3Å; I8-F32 HydrophobicContact CD1-CD1 3.51Å; I8-F32 HydrophobicContact CD1-CE1 3.57Å; I8-F32 HydrophobicContact CD1-CG 4.38Å; I8-F32 HydrophobicContact CD1-CZ 4.46Å; I8-F32 HydrophobicContact CG2-CE1 4.42Å; I8-F33 HydrophobicContact CD1-CE1 4.13Å; I8-F33 HydrophobicContact CD1-CZ 4.09Å; I8-F33 HydrophobicContact CG2-CE1 3.75Å; I8-F33 HydrophobicContact CG2-CZ 4.2Å; I8-F65 HydrophobicContact CB-CB 4.19Å; I8-F65 PolarHBondContact N-O 3.43Å; I8-F65 PolarHBondContact O-N 3.47Å; I8-V67 HydrophobicContact CD1-CG2 3.8Å; I8-V67 HydrophobicContact CG1-CG2 4.49Å
9N94.6Very high94.3Very high7 Ų734 Ų344%0.03718%0.176CC..  trans-84.9177.3178.771.19.6000112.5T11 G12 D13 T15 L64 D99N9-T11 VanDerWaalsContact CG-OG1 3.24Å; N9-T11 PolarHBondContact ND2-OG1 2.84Å; N9-T11 PolarHBondContact O-N 2.84Å; N9-T11 VanDerWaalsContact O-N 3.17Å; N9-T11 PolarHBondContact OD1-N 3.41Å; N9-T11 PolarHBondContact OD1-OG1 3.01Å; N9-G12 PolarHBondContact O-N 3.05Å; N9-G12 PolarHBondContact OD1-N 3.1Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; N9-D13 PolarHBondContact N-O 3.33Å; N9-D13 PolarHBondContact OD1-N 3.14Å; N9-D13 PolarHBondContact OD1-O 3.35Å; N9-T15 HydrophobicContact CB-CG2 3.77Å; N9-L64 HydrophobicContact CB-CD2 3.93Å; N9-D99 HydrophobicContact CB-CB 4.39Å; N9-D99 PolarHBondContact ND2-OD2 3.18Å
10K90Very high94.2Very high177 Ų17734 Ų3477%0.7717%0.173SC*.THydrogen-bonded Turntrans-60.6-20.5177.468.5-176.6179.9-177.20115.2G12K10-G12 VanDerWaalsContact C-N 3.34Å
11T90.9Very high93.8Very high92 Ų9237.6 Ų37.656%0.56419%0.188SC*.THydrogen-bonded Turntrans-89.1-5.5177.748.60000112.4N9 D13N9-T11 VanDerWaalsContact CG-OG1 3.24Å; N9-T11 PolarHBondContact ND2-OG1 2.84Å; N9-T11 PolarHBondContact O-N 2.84Å; N9-T11 VanDerWaalsContact O-N 3.17Å; N9-T11 PolarHBondContact OD1-N 3.41Å; N9-T11 PolarHBondContact OD1-OG1 3.01Å; T11-D13 PolarHBondContact OG1-OD2 2.85Å
12G91.2Very high93.9Very high23 Ų2338.5 Ų38.524%0.23720%0.198CC..SBendtrans877.7-176.400000113.7N9 K10 F33N9-G12 PolarHBondContact O-N 3.05Å; N9-G12 PolarHBondContact OD1-N 3.1Å; N9-G12 VanDerWaalsContact OD1-N 3.13Å; K10-G12 VanDerWaalsContact C-N 3.34Å; G12-F33 WeakPolarHBondContact O-CE1 3.29Å; G12-F33 VanDerWaalsContact O-CZ 3.28Å; G12-F33 WeakPolarHBondContact O-CZ 3.3Å
13D93.8Very high93.7Very high92 Ų9242.4 Ų42.449%0.49223%0.231SC..  trans-80.6137176.5-55.8-54.3000110.4I8 N9 T11 T15I8-D13 WeakPolarHBondContact CA-O 3.39Å; N9-D13 PolarHBondContact N-O 3.33Å; N9-D13 PolarHBondContact OD1-N 3.14Å; N9-D13 PolarHBondContact OD1-O 3.35Å; T11-D13 PolarHBondContact OG1-OD2 2.85Å; D13-T15 PolarHBondContact O-N 2.94Å
14I95.3Very high93.5Very high40 Ų4042.5 Ų42.521%0.20523%0.232CC..EExtended strand (participates in β ladder)trans-79.4110.8171.7-58.2174.8000108F6 V7 I8 L16 E17 R26 C29F6-I14 HydrophobicContact CB-CG2 4.48Å; F6-I14 HydrophobicContact CD1-CD1 4.43Å; F6-I14 HydrophobicContact CD1-CG2 4.19Å; V7-I14 CarbonylContact O-C 3.55Å; V7-I14 WeakPolarHBondContact O-CA 3.43Å; I8-I14 HydrophobicContact CG1-CG1 4.3Å; I14-L16 WeakPolarHBondContact CG2-O 3.49Å; I14-E17 HydrophobicContact CG2-CB 4.25Å; I14-R26 HydrophobicContact CD1-CB 4.35Å; I14-R26 HydrophobicContact CD1-CG 4.18Å; I14-C29 HydrophobicContact CD1-CB 4.44Å
15T93.6Very high93.3Very high15 Ų1547.7 Ų47.79%0.09226%0.26CS..EExtended strand (participates in β ladder)trans-90.7-29.4-174.563.80000112.2V7 N9 D13 D99V7-T15 PolarHBondContact O-N 2.74Å; V7-T15 PolarHBondContact O-OG1 2.95Å; N9-T15 HydrophobicContact CB-CG2 3.77Å; D13-T15 PolarHBondContact O-N 2.94Å; T15-D99 WeakPolarHBondContact CB-OD1 3.18Å; T15-D99 WeakPolarHBondContact CG2-OD1 3.36Å
16L95.8Very high93.2Very high4 Ų453.9 Ų53.92%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-141.9139.8174.2176.9147.1000109.4F6 V7 I14 K18 I102 L106 L109 L113F6-L16 CarbonylContact C-O 3.53Å; F6-L16 WeakPolarHBondContact CA-O 3.32Å; V7-L16 HydrophobicContact CB-CB 4.07Å; V7-L16 HydrophobicContact CG2-CB 4.03Å; V7-L16 HydrophobicContact CG2-CD2 3.92Å; V7-L16 PolarHBondContact N-O 2.92Å; I14-L16 WeakPolarHBondContact CG2-O 3.49Å; L16-K18 HydrophobicContact CD2-CB 4.3Å; L16-I102 HydrophobicContact CB-CG2 3.9Å; L16-I102 HydrophobicContact CD1-CG2 4.12Å; L16-L106 HydrophobicContact CB-CD2 4.43Å; L16-L106 HydrophobicContact CD1-CD2 3.99Å; L16-L106 HydrophobicContact CG-CD2 4.49Å; L16-L109 HydrophobicContact CD1-CB 4.33Å; L16-L109 HydrophobicContact CD1-CD2 3.98Å; L16-L113 HydrophobicContact CD1-CD1 4.15Å; L16-L113 HydrophobicContact CD2-CD1 3.9Å
17E95.7Very high93Very high49 Ų4957.5 Ų57.523%0.22931%0.306CS..EExtended strand (participates in β ladder)trans-134.2129.1167.672.9-173.3166.600109.7L5 F6 I14 R26 Y110L5-E17 CarbonylContact O-C 3.51Å; L5-E17 WeakPolarHBondContact O-CA 3.33Å; F6-E17 HydrophobicContact CD1-CB 3.66Å; F6-E17 HydrophobicContact CE1-CB 3.88Å; I14-E17 HydrophobicContact CG2-CB 4.25Å; E17-R26 VanDerWaalsContact CD-NH2 3.25Å; E17-R26 IonicContact OE1-CZ 3.45Å; E17-R26 IonicContact OE1-NE 3.36Å; E17-R26 PolarHBondContact OE1-NE 2.97Å; E17-R26 IonicContact OE1-NH2 3.41Å; E17-R26 PolarHBondContact OE1-NH2 2.87Å; E17-R26 WeakPolarHBondContact OE2-CG 2.94Å; E17-R26 IonicContact OE2-CZ 3.45Å; E17-R26 IonicContact OE2-NE 2.74Å; E17-R26 PolarHBondContact OE2-NE 3.46Å; E17-R26 IonicContact OE2-NH2 3.76Å; E17-R26 PolarHBondContact OE2-NH2 3.3Å; E17-Y110 WeakPolarHBondContact O-CE1 3.35Å; E17-Y110 PolarHBondContact O-OH 3.32Å
18K95.1Very high92.8Very high30 Ų3058 Ų5813%0.1331%0.308CS..EExtended strand (participates in β ladder)trans-128.8127.9177.7176.652.5169.3169.20109.1S4 L5 L16 W20 Y110 L113 D114S4-K18 CarbonylContact C-O 3.46Å; S4-K18 WeakPolarHBondContact CA-O 2.8Å; S4-K18 WeakPolarHBondContact CB-O 3.41Å; L5-K18 PolarHBondContact N-O 2.59Å; L5-K18 PolarHBondContact O-N 3.1Å; L16-K18 HydrophobicContact CD2-CB 4.3Å; K18-W20 HydrophobicContact CB-CH2 4.25Å; K18-W20 HydrophobicContact CB-CZ2 4.45Å; K18-W20 HydrophobicContact CB-CZ3 4.46Å; K18-W20 HydrophobicContact CG-CD2 4.02Å; K18-W20 HydrophobicContact CG-CE3 4.24Å; K18-W20 HydrophobicContact CG-CH2 3.86Å; K18-W20 HydrophobicContact CG-CZ2 3.61Å; K18-W20 HydrophobicContact CG-CZ3 4.16Å; K18-Y110 HydrophobicContact CB-CD1 4.45Å; K18-Y110 HydrophobicContact CB-CE1 4.07Å; K18-Y110 HydrophobicContact CD-CD1 3.86Å; K18-Y110 HydrophobicContact CD-CE1 4.03Å; K18-Y110 HydrophobicContact CG-CD1 4.45Å; K18-Y110 HydrophobicContact CG-CE1 4.49Å; K18-L113 HydrophobicContact CB-CD1 4.13Å; K18-L113 HydrophobicContact CG-CB 4.36Å; K18-L113 HydrophobicContact CG-CD1 4.3Å; K18-D114 WeakPolarHBondContact CE-OD1 3.41Å; K18-D114 IonicContact NZ-OD1 2.62Å; K18-D114 PolarHBondContact NZ-OD1 3.28Å; K18-D114 IonicContact NZ-OD2 3.1Å; K18-D114 PolarHBondContact NZ-OD2 2.87Å; K18-D114 VanDerWaalsContact NZ-OD2 3.1Å
19H94.9Very high92.8Very high49 Ų4958 Ų5823%0.22731%0.308CS..EExtended strand (participates in β ladder)trans-114.4133.7174.5-49.1-72.5000109.4S4 F6 I24S4-H19 WeakPolarHBondContact CB-ND1 3.48Å; S4-H19 PolarHBondContact OG-ND1 3.06Å; F6-H19 AromaticContact CE1-CE1 3.9Å; F6-H19 AromaticContact CZ-CE1 3.86Å; H19-I24 PolarHBondContact CE1-O 3.07Å; H19-I24 PolarHBondContact ND1-N 2.98Å
20W93Very high92.8Very high34 Ų3461.8 Ų61.813%0.12933%0.329CS..SBendtrans-106-17.9-179.8-71.2-91.1000114.4I2 E3 L5 K18 L113 L117I2-W20 HydrophobicContact CG2-CE3 4.26Å; I2-W20 HydrophobicContact CG2-CZ3 3.93Å; E3-W20 PolarHBondContact O-N 2.97Å; L5-W20 HydrophobicContact CB-CH2 3.5Å; L5-W20 VanDerWaalsContact CB-CH2 3.5Å; L5-W20 HydrophobicContact CB-CZ3 3.52Å; L5-W20 HydrophobicContact CD2-CH2 4.13Å; L5-W20 HydrophobicContact CG-CH2 4.47Å; K18-W20 HydrophobicContact CB-CH2 4.25Å; K18-W20 HydrophobicContact CB-CZ2 4.45Å; K18-W20 HydrophobicContact CB-CZ3 4.46Å; K18-W20 HydrophobicContact CG-CD2 4.02Å; K18-W20 HydrophobicContact CG-CE3 4.24Å; K18-W20 HydrophobicContact CG-CH2 3.86Å; K18-W20 HydrophobicContact CG-CZ2 3.61Å; K18-W20 HydrophobicContact CG-CZ3 4.16Å; W20-L113 HydrophobicContact CZ2-CB 4.03Å; W20-L113 HydrophobicContact CZ2-CD2 4.37Å; W20-L113 PolarHBondContact NE1-O 2.73Å; W20-L117 HydrophobicContact CB-CD2 4.33Å; W20-L117 HydrophobicContact CD2-CD2 3.22Å; W20-L117 HydrophobicContact CD2-CG 4.48Å; W20-L117 HydrophobicContact CE3-CD2 3.54Å; W20-L117 HydrophobicContact CG-CD2 3.59Å; W20-L117 HydrophobicContact CH2-CD2 3.97Å; W20-L117 HydrophobicContact CZ2-CB 3.97Å; W20-L117 HydrophobicContact CZ2-CD2 3.69Å; W20-L117 HydrophobicContact CZ2-CG 4.44Å; W20-L117 HydrophobicContact CZ3-CD2 3.89Å; W20-L117 PolarHBondContact NE1-O 3.5Å; W20-L117 VanDerWaalsContact NE1-O 3.12Å
21K86.5Confident93.2Very high110 Ų11057.9 Ų57.948%0.47831%0.31SS..SBendtrans-120.2-76.1178.1-84-174.1172.81800112.1N119K21-N119 WeakPolarHBondContact CE-O 3.33Å; K21-N119 WeakPolarHBondContact CE-OD1 3.38Å; K21-N119 WeakPolarHBondContact CG-OD1 3.47Å
22S86.4Confident93.5Very high64 Ų6453.5 Ų53.545%0.44828%0.283SS..SBendtrans-125142.6178.651.30000108.5I24S22-I24 PolarHBondContact O-N 2.77Å
23A89.9Confident93.7Very high85 Ų8554.2 Ų54.270%0.70228%0.279SS*.PPolyproline II helixtrans-58.8122.1172.900000109.5
24I92.1Very high93.8Very high18 Ų1855.3 Ų55.39%0.09228%0.282CS..PPolyproline II helixtrans-93.3135.1173.1-62.3179.2000107.4E3 S4 H19 S22 R26 V28 H54 A69E3-I24 HydrophobicContact CB-CD1 3.67Å; S4-I24 WeakPolarHBondContact OG-CD1 3.44Å; S4-I24 WeakPolarHBondContact OG-CG1 3.5Å; H19-I24 PolarHBondContact CE1-O 3.07Å; H19-I24 PolarHBondContact ND1-N 2.98Å; S22-I24 PolarHBondContact O-N 2.77Å; I24-R26 PolarHBondContact O-N 3.03Å; I24-V28 HydrophobicContact CG2-CB 3.92Å; I24-V28 HydrophobicContact CG2-CG1 3.67Å; I24-V28 HydrophobicContact CG2-CG2 4.41Å; I24-H54 WeakPolarHBondContact CD1-NE2 3.42Å; I24-A69 HydrophobicContact CD1-CB 3.75Å
25N92Very high93.8Very high108 Ų10854 Ų5458%0.57828%0.277SS*.PPolyproline II helixtrans-64.7134.5177-169.6-52.2000110.3T27 V28N25-T27 PolarHBondContact O-N 2.83Å; N25-T27 WeakPolarHBondContact OD1-CB 3.03Å; N25-T27 WeakPolarHBondContact OD1-CG2 3.41Å; N25-T27 PolarHBondContact OD1-N 3.43Å; N25-T27 PolarHBondContact OD1-OG1 3.14Å; N25-V28 WeakPolarHBondContact O-CG1 3.15Å; N25-V28 PolarHBondContact O-N 2.89Å
26R93.4Very high93.9Very high131 Ų13155.8 Ų55.849%0.49428%0.284SS..G310 helixtrans-54.7-23.2178.9-69.9-178.2-179-171.61.1114.3I14 E17 I24 V28 C29I14-R26 HydrophobicContact CD1-CB 4.35Å; I14-R26 HydrophobicContact CD1-CG 4.18Å; E17-R26 VanDerWaalsContact CD-NH2 3.25Å; E17-R26 IonicContact OE1-CZ 3.45Å; E17-R26 IonicContact OE1-NE 3.36Å; E17-R26 PolarHBondContact OE1-NE 2.97Å; E17-R26 IonicContact OE1-NH2 3.41Å; E17-R26 PolarHBondContact OE1-NH2 2.87Å; E17-R26 WeakPolarHBondContact OE2-CG 2.94Å; E17-R26 IonicContact OE2-CZ 3.45Å; E17-R26 IonicContact OE2-NE 2.74Å; E17-R26 PolarHBondContact OE2-NE 3.46Å; E17-R26 IonicContact OE2-NH2 3.76Å; E17-R26 PolarHBondContact OE2-NH2 3.3Å; I24-R26 PolarHBondContact O-N 3.03Å; R26-V28 PolarHBondContact O-N 2.83Å; R26-C29 VanDerWaalsContact O-CB 3.29Å; R26-C29 WeakPolarHBondContact O-CB 3.19Å; R26-C29 PolarHBondContact O-N 2.84Å
27T93.8Very high93.8Very high77 Ų7764 Ų6447%0.47232%0.32SS..G310 helixtrans-55.4-20.3172.248.10000113.6N25 C29 D30N25-T27 PolarHBondContact O-N 2.83Å; N25-T27 WeakPolarHBondContact OD1-CB 3.03Å; N25-T27 WeakPolarHBondContact OD1-CG2 3.41Å; N25-T27 PolarHBondContact OD1-N 3.43Å; N25-T27 PolarHBondContact OD1-OG1 3.14Å; T27-C29 PolarHBondContact O-N 2.76Å; T27-D30 WeakPolarHBondContact CA-OD2 3.45Å; T27-D30 VanDerWaalsContact O-CB 3.26Å; T27-D30 WeakPolarHBondContact O-CB 3.32Å; T27-D30 PolarHBondContact O-N 2.87Å; T27-D30 VanDerWaalsContact O-N 3.07Å
28V94.5Very high93.8Very high12 Ų1269.1 Ų69.17%0.07334%0.344CS..G310 helixtrans-59.5-32.3170.679.60000111.8F6 I24 N25 R26 D30 Y31 H54 L56F6-V28 HydrophobicContact CE2-CG1 3.9Å; F6-V28 HydrophobicContact CZ-CG1 4.13Å; I24-V28 HydrophobicContact CG2-CB 3.92Å; I24-V28 HydrophobicContact CG2-CG1 3.67Å; I24-V28 HydrophobicContact CG2-CG2 4.41Å; N25-V28 WeakPolarHBondContact O-CG1 3.15Å; N25-V28 PolarHBondContact O-N 2.89Å; R26-V28 PolarHBondContact O-N 2.83Å; V28-D30 PolarHBondContact O-N 2.79Å; V28-Y31 WeakPolarHBondContact O-CD2 3.46Å; V28-H54 HydrophobicContact CG2-CB 4.29Å; V28-L56 HydrophobicContact CG1-CD2 4.47Å; V28-L56 HydrophobicContact CG2-CD2 3.92Å; V28-L56 WeakPolarHBondContact O-CD1 3.26Å
29C95.7Very high93.7Very high0 Ų068.7 Ų68.70%035%0.346CS..G310 helixtrans-71.7-13.1178.3-62.50000112.7I14 R26 T27 Y31 F32 F33I14-C29 HydrophobicContact CD1-CB 4.44Å; R26-C29 VanDerWaalsContact O-CB 3.29Å; R26-C29 WeakPolarHBondContact O-CB 3.19Å; R26-C29 PolarHBondContact O-N 2.84Å; T27-C29 PolarHBondContact O-N 2.76Å; C29-Y31 PolarHBondContact O-N 2.96Å; C29-F32 WeakPolarHBondContact O-CA 3.45Å; C29-F32 WeakPolarHBondContact O-CB 3.38Å; C29-F32 PolarHBondContact O-N 3.5Å; C29-F33 HydrophobicContact CB-CD2 4.23Å; C29-F33 HydrophobicContact CB-CE2 3.76Å; C29-F33 HydrophobicContact CB-CZ 4.42Å; C29-F33 WeakPolarHBondContact O-CD2 3.35Å; C29-F33 PolarHBondContact O-N 3.47Å
30D96.1Very high93.6Very high88 Ų8871 Ų7147%0.47137%0.373SS..Hα-helixtrans-60.8-37.1177.8-63.1-25.2000111.4T27 V28 F32 F33 E34T27-D30 WeakPolarHBondContact CA-OD2 3.45Å; T27-D30 VanDerWaalsContact O-CB 3.26Å; T27-D30 WeakPolarHBondContact O-CB 3.32Å; T27-D30 PolarHBondContact O-N 2.87Å; T27-D30 VanDerWaalsContact O-N 3.07Å; V28-D30 PolarHBondContact O-N 2.79Å; D30-F32 VanDerWaalsContact C-N 3.3Å; D30-F32 PolarHBondContact O-N 3.24Å; D30-F33 PolarHBondContact O-N 2.88Å; D30-E34 PolarHBondContact O-N 3Å
31Y96.8Very high93.6Very high94 Ų9472.1 Ų72.137%0.36938%0.384SS..Hα-helixtrans-63.9-35173.3-63.4-85.8000112.4V28 C29 A35 T51 P52V28-Y31 WeakPolarHBondContact O-CD2 3.46Å; C29-Y31 PolarHBondContact O-N 2.96Å; Y31-A35 PolarHBondContact O-N 3.09Å; Y31-A35 VanDerWaalsContact O-N 3.16Å; Y31-T51 HydrophobicContact CD1-CG2 4.18Å; Y31-T51 HydrophobicContact CD2-CG2 3.69Å; Y31-T51 HydrophobicContact CE2-CG2 4.39Å; Y31-T51 HydrophobicContact CG-CG2 3.58Å; Y31-P52 HydrophobicContact CE1-CG 4.48Å; Y31-P52 VanDerWaalsContact CZ-CD 3.46Å; Y31-P52 WeakPolarHBondContact OH-CD 3.29Å; Y31-P52 WeakPolarHBondContact OH-CG 3.39Å
32F97Very high93.9Very high0 Ų069.4 Ų69.40%038%0.378CS..Hα-helixtrans-68.5-44.9173.1167.7-91.6000111.1I8 C29 D30 E34 A35 Q36 V45 I49 L56 N58 F65 V67I8-F32 HydrophobicContact CD1-CD1 3.51Å; I8-F32 HydrophobicContact CD1-CE1 3.57Å; I8-F32 HydrophobicContact CD1-CG 4.38Å; I8-F32 HydrophobicContact CD1-CZ 4.46Å; I8-F32 HydrophobicContact CG2-CE1 4.42Å; C29-F32 WeakPolarHBondContact O-CA 3.45Å; C29-F32 WeakPolarHBondContact O-CB 3.38Å; C29-F32 PolarHBondContact O-N 3.5Å; D30-F32 VanDerWaalsContact C-N 3.3Å; D30-F32 PolarHBondContact O-N 3.24Å; F32-E34 VanDerWaalsContact C-N 3.28Å; F32-E34 PolarHBondContact O-N 3.19Å; F32-A35 PolarHBondContact O-N 2.9Å; F32-Q36 HydrophobicContact CE1-CB 4.44Å; F32-Q36 HydrophobicContact CZ-CB 4.47Å; F32-Q36 WeakPolarHBondContact O-CB 3.36Å; F32-Q36 PolarHBondContact O-N 3.18Å; F32-V45 HydrophobicContact CE2-CG1 4.04Å; F32-I49 HydrophobicContact CB-CD1 4.23Å; F32-I49 HydrophobicContact CD2-CD1 3.92Å; F32-L56 HydrophobicContact CB-CD1 3.95Å; F32-N58 HydrophobicContact CD2-CB 4.46Å; F32-N58 HydrophobicContact CE2-CB 4.25Å; F32-F65 HydrophobicContact CE1-CB 4.42Å; F32-F65 HydrophobicContact CE1-CG 4.37Å; F32-F65 HydrophobicContact CE2-CB 4.37Å; F32-F65 AromaticContact CE2-CD1 3.74Å; F32-F65 HydrophobicContact CE2-CD1 3.74Å; F32-F65 HydrophobicContact CE2-CE1 4.16Å; F32-F65 HydrophobicContact CE2-CG 4.1Å; F32-F65 HydrophobicContact CZ-CB 3.74Å; F32-F65 AromaticContact CZ-CD1 3.52Å; F32-F65 HydrophobicContact CZ-CD1 3.52Å; F32-F65 AromaticContact CZ-CD2 3.87Å; F32-F65 HydrophobicContact CZ-CD2 3.87Å; F32-F65 AromaticContact CZ-CE1 3.98Å; F32-F65 HydrophobicContact CZ-CE1 3.98Å; F32-F65 HydrophobicContact CZ-CE2 4.32Å; F32-F65 AromaticContact CZ-CG 3.43Å; F32-F65 HydrophobicContact CZ-CG 3.43Å; F32-F65 VanDerWaalsContact CZ-CG 3.43Å; F32-F65 HydrophobicContact CZ-CZ 4.35Å; F32-V67 HydrophobicContact CD1-CG2 4.32Å; F32-V67 HydrophobicContact CD2-CG1 4.47Å; F32-V67 HydrophobicContact CD2-CG2 3.79Å; F32-V67 HydrophobicContact CE1-CG2 4.38Å; F32-V67 HydrophobicContact CE2-CG2 3.85Å; F32-V67 HydrophobicContact CG-CG2 4.05Å; F32-V67 HydrophobicContact CZ-CG2 4.17Å
33F96.7Very high94.2Very high38 Ų3873.9 Ų73.917%0.16739%0.392CS..Hα-helixtrans-64.9-31.5178.3-65.3-54.8000113I8 G12 C29 D30 K37I8-F33 HydrophobicContact CD1-CE1 4.13Å; I8-F33 HydrophobicContact CD1-CZ 4.09Å; I8-F33 HydrophobicContact CG2-CE1 3.75Å; I8-F33 HydrophobicContact CG2-CZ 4.2Å; G12-F33 WeakPolarHBondContact O-CE1 3.29Å; G12-F33 VanDerWaalsContact O-CZ 3.28Å; G12-F33 WeakPolarHBondContact O-CZ 3.3Å; C29-F33 HydrophobicContact CB-CD2 4.23Å; C29-F33 HydrophobicContact CB-CE2 3.76Å; C29-F33 HydrophobicContact CB-CZ 4.42Å; C29-F33 WeakPolarHBondContact O-CD2 3.35Å; C29-F33 PolarHBondContact O-N 3.47Å; D30-F33 PolarHBondContact O-N 2.88Å; F33-K37 WeakPolarHBondContact O-CD 3.11Å; F33-K37 VanDerWaalsContact O-CG 3.25Å; F33-K37 WeakPolarHBondContact O-CG 3.44Å; F33-K37 PolarHBondContact O-N 3.46Å; F33-K37 VanDerWaalsContact O-N 3.16Å
34E95.9Very high94.3Very high116 Ų11674.3 Ų74.354%0.54238%0.382SS..Hα-helixtrans-66-51.9172.1-172169.1-157.800111.1D30 F32 Q36 K37 E38D30-E34 PolarHBondContact O-N 3Å; F32-E34 VanDerWaalsContact C-N 3.28Å; F32-E34 PolarHBondContact O-N 3.19Å; E34-Q36 VanDerWaalsContact C-N 3.26Å; E34-Q36 PolarHBondContact O-N 3.1Å; E34-K37 WeakPolarHBondContact O-CB 3.38Å; E34-K37 PolarHBondContact O-N 2.62Å; E34-E38 PolarHBondContact O-N 3.5Å
35A95.8Very high94.5Very high13 Ų1373.9 Ų73.911%0.10738%0.38CS..Hα-helixtrans-59.5-37.2176.500000112.6Y31 F32 K37 E38 A39 I49Y31-A35 PolarHBondContact O-N 3.09Å; Y31-A35 VanDerWaalsContact O-N 3.16Å; F32-A35 PolarHBondContact O-N 2.9Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.28Å; A35-E38 PolarHBondContact O-N 2.89Å; A35-A39 PolarHBondContact O-N 3.12Å; A35-I49 HydrophobicContact CB-CD1 3.56Å; A35-I49 HydrophobicContact CB-CG1 4.18Å
36Q94.4Very high94.7Very high52 Ų5272 Ų7224%0.24337%0.374CS..Hα-helixtrans-64.1-37.1175.9-171.6-174.540.600112.5F32 E34 E38 V45F32-Q36 HydrophobicContact CE1-CB 4.44Å; F32-Q36 HydrophobicContact CZ-CB 4.47Å; F32-Q36 WeakPolarHBondContact O-CB 3.36Å; F32-Q36 PolarHBondContact O-N 3.18Å; E34-Q36 VanDerWaalsContact C-N 3.26Å; E34-Q36 PolarHBondContact O-N 3.1Å; Q36-E38 VanDerWaalsContact C-N 3.34Å; Q36-V45 HydrophobicContact CB-CG2 4.44Å; Q36-V45 HydrophobicContact CG-CG2 4.35Å
37K94Very high94.9Very high175 Ų17569.4 Ų69.476%0.76137%0.372SS*.Hα-helixtrans-71.2-29.8177.9-74.7167.6-174.41720112.8F33 E34 A35F33-K37 WeakPolarHBondContact O-CD 3.11Å; F33-K37 VanDerWaalsContact O-CG 3.25Å; F33-K37 WeakPolarHBondContact O-CG 3.44Å; F33-K37 PolarHBondContact O-N 3.46Å; F33-K37 VanDerWaalsContact O-N 3.16Å; E34-K37 WeakPolarHBondContact O-CB 3.38Å; E34-K37 PolarHBondContact O-N 2.62Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.28Å
38E94.7Very high95Very high157 Ų15768.5 Ų68.573%0.73437%0.367SS*.Hα-helixtrans-78.8-25.7177.8-66.5-173.6164.600112.9E34 A35 Q36E34-E38 PolarHBondContact O-N 3.5Å; A35-E38 PolarHBondContact O-N 2.89Å; Q36-E38 VanDerWaalsContact C-N 3.34Å
39A93.8Very high95.1Very high22 Ų2268.8 Ų68.818%0.18237%0.368CS..  trans-71.5139.1179.500000112.4A35 D44 V45A35-A39 PolarHBondContact O-N 3.12Å; A39-D44 HydrophobicContact CB-CB 4.13Å; A39-V45 HydrophobicContact CB-CB 4.45Å; A39-V45 HydrophobicContact CB-CG2 3.66Å
40A93.4Very high95.1Very high97 Ų9773.6 Ų73.680%0.80240%0.397SS*.SBendtrans-74.4-37.2178.700000112.4
41T92.7Very high95Very high57 Ų5770.1 Ų70.135%0.3538%0.379SS..SBendtrans-130.2160.6173.670.20000110.2E43 D44T41-E43 PolarHBondContact O-N 2.94Å; T41-E43 VanDerWaalsContact O-N 3.1Å; T41-D44 WeakPolarHBondContact CB-OD2 3.45Å; T41-D44 PolarHBondContact N-OD2 3.47Å; T41-D44 WeakPolarHBondContact O-CB 3.26Å; T41-D44 PolarHBondContact O-N 2.87Å; T41-D44 PolarHBondContact OG1-N 3.17Å; T41-D44 PolarHBondContact OG1-OD2 3.46Å
42P92.5Very high94.8Very high54 Ų5469.8 Ų69.835%0.35139%0.388SS..G310 helixtrans-55.4-27.1175.5-27.836.9000114.1D44 V45 Y60 F65P42-D44 VanDerWaalsContact C-N 3.35Å; P42-V45 WeakPolarHBondContact O-CG2 2.94Å; P42-Y60 HydrophobicContact CB-CD1 3.79Å; P42-Y60 HydrophobicContact CB-CD2 4.07Å; P42-Y60 HydrophobicContact CB-CE1 3.51Å; P42-Y60 HydrophobicContact CB-CE2 3.82Å; P42-Y60 HydrophobicContact CB-CG 4.04Å; P42-Y60 HydrophobicContact CG-CE1 4.2Å; P42-Y60 HydrophobicContact CG-CE2 4.49Å; P42-F65 HydrophobicContact CB-CE2 4.2Å; P42-F65 HydrophobicContact CB-CZ 3.74Å
43E92.2Very high94.5Very high157 Ų15776.9 Ų76.973%0.73442%0.421SS*.G310 helixtrans-79.7-18.7-179.6-66.5151.4-17600112.5T41 V45 Y60T41-E43 PolarHBondContact O-N 2.94Å; T41-E43 VanDerWaalsContact O-N 3.1Å; E43-V45 VanDerWaalsContact C-N 3.31Å; E43-Y60 HydrophobicContact CG-CD1 4.28Å
44D93.8Very high94.4Very high95 Ų9576.4 Ų76.451%0.50842%0.419SS..G310 helixtrans-85.3-4.9177.5-60.4-49.7000112.7A39 T41 P42A39-D44 HydrophobicContact CB-CB 4.13Å; T41-D44 WeakPolarHBondContact CB-OD2 3.45Å; T41-D44 PolarHBondContact N-OD2 3.47Å; T41-D44 WeakPolarHBondContact O-CB 3.26Å; T41-D44 PolarHBondContact O-N 2.87Å; T41-D44 PolarHBondContact OG1-N 3.17Å; T41-D44 PolarHBondContact OG1-OD2 3.46Å; P42-D44 VanDerWaalsContact C-N 3.35Å
45V95.9Very high94.4Very high9 Ų975 Ų756%0.05541%0.409CS..SBendtrans-63127.5176-178.70000109.1F32 Q36 A39 P42 E43 V47 F65F32-V45 HydrophobicContact CE2-CG1 4.04Å; Q36-V45 HydrophobicContact CB-CG2 4.44Å; Q36-V45 HydrophobicContact CG-CG2 4.35Å; A39-V45 HydrophobicContact CB-CB 4.45Å; A39-V45 HydrophobicContact CB-CG2 3.66Å; P42-V45 WeakPolarHBondContact O-CG2 2.94Å; E43-V45 VanDerWaalsContact C-N 3.31Å; V45-V47 PolarHBondContact O-N 3.08Å; V45-F65 HydrophobicContact CB-CE1 4.21Å; V45-F65 HydrophobicContact CG2-CE1 4.04Å; V45-F65 HydrophobicContact CG2-CZ 3.96Å
46P96.1Very high94.4Very high67 Ų6774.3 Ų74.344%0.43540%0.404SS..  trans-56.1127.6178.4-25.333.6000111.5V48 I49 N58P46-V48 PolarHBondContact O-N 2.9Å; P46-I49 HydrophobicContact CB-CG1 4.37Å; P46-N58 PolarHBondContact O-ND2 3.22Å
47V96.6Very high94.6Very high77 Ų7772 Ų7247%0.46739%0.394SS..SBendtrans-58.8-36.9180174.70000111.6V45 I57 N58 V80V45-V47 PolarHBondContact O-N 3.08Å; V47-I57 HydrophobicContact CG1-CG2 4.39Å; V47-I57 CarbonylContact O-C 3.53Å; V47-I57 VanDerWaalsContact O-CA 3.29Å; V47-I57 WeakPolarHBondContact O-CA 3.46Å; V47-N58 PolarHBondContact O-N 3.01Å; V47-N58 PolarHBondContact O-ND2 3.13Å; V47-N58 VanDerWaalsContact O-ND2 3.14Å; V47-V80 HydrophobicContact CG1-CG2 3.77Å
48V96.8Very high94.7Very high58 Ų5864 Ų6435%0.35236%0.359SS..EExtended strand (participates in β ladder)trans-118.2122.9178.1-173.80000109.1P46 L56 I57 P76P46-V48 PolarHBondContact O-N 2.9Å; V48-L56 CarbonylContact C-O 3.56Å; V48-L56 WeakPolarHBondContact CA-O 3.38Å; V48-I57 HydrophobicContact CG1-CG1 4.47Å; V48-I57 HydrophobicContact CG2-CG1 4.31Å; V48-P76 HydrophobicContact CG2-CB 3.92Å; V48-P76 HydrophobicContact CG2-CG 4.17Å
49I96.7Very high94.9Very high18 Ų1857 Ų579%0.09233%0.326CS..EExtended strand (participates in β ladder)trans-115.5122.4177.1-55.4168000107.8F32 A35 P46 L56F32-I49 HydrophobicContact CB-CD1 4.23Å; F32-I49 HydrophobicContact CD2-CD1 3.92Å; A35-I49 HydrophobicContact CB-CD1 3.56Å; A35-I49 HydrophobicContact CB-CG1 4.18Å; P46-I49 HydrophobicContact CB-CG1 4.37Å; I49-L56 HydrophobicContact CB-CB 4.2Å; I49-L56 PolarHBondContact N-O 3.04Å; I49-L56 PolarHBondContact O-N 3.17Å
50V94.4Very high95Very high102 Ų10258.4 Ų58.462%0.61833%0.328SS*.EExtended strand (participates in β ladder)trans-85.5127179.7-176.20000109Y55V50-Y55 HydrophobicContact CB-CD1 4.48Å; V50-Y55 HydrophobicContact CB-CE1 4.48Å; V50-Y55 HydrophobicContact CG1-CD1 4.31Å; V50-Y55 HydrophobicContact CG1-CE1 3.94Å; V50-Y55 HydrophobicContact CG2-CD1 4.08Å; V50-Y55 HydrophobicContact CG2-CE1 4.06Å
51T93.9Very high95.1Very high15 Ų1556.5 Ų56.59%0.09230%0.3CS..  trans-119.8169.6173.481.60000109.5Y31 H53 H54 L56Y31-T51 HydrophobicContact CD1-CG2 4.18Å; Y31-T51 HydrophobicContact CD2-CG2 3.69Å; Y31-T51 HydrophobicContact CE2-CG2 4.39Å; Y31-T51 HydrophobicContact CG-CG2 3.58Å; T51-H53 PolarHBondContact O-N 3.28Å; T51-H54 WeakPolarHBondContact CA-O 3.34Å; T51-H54 WeakPolarHBondContact CB-O 3.44Å; T51-H54 PolarHBondContact N-O 3.09Å; T51-H54 VanDerWaalsContact OG1-C 3.31Å; T51-H54 WeakPolarHBondContact OG1-CA 3.46Å; T51-H54 PolarHBondContact OG1-N 3.09Å; T51-H54 VanDerWaalsContact OG1-N 3.1Å; T51-H54 PolarHBondContact OG1-O 2.79Å; T51-L56 HydrophobicContact CG2-CD1 4.01Å; T51-L56 HydrophobicContact CG2-CG 3.95Å
52P92.7Very high95.2Very high87 Ų8757.6 Ų57.657%0.56530%0.303SS*.SBendtrans-60-28-176.5-27.836.3000115.5Y31Y31-P52 HydrophobicContact CE1-CG 4.48Å; Y31-P52 VanDerWaalsContact CZ-CD 3.46Å; Y31-P52 WeakPolarHBondContact OH-CD 3.29Å; Y31-P52 WeakPolarHBondContact OH-CG 3.39Å
53H91.6Very high95.3Very high149 Ų14960.8 Ų60.869%0.6931%0.314SS*.SBendtrans-128.7-14.4-173.1-59.7-41000114.2T51T51-H53 PolarHBondContact O-N 3.28Å
54H94Very high95.5Very high28 Ų2853.6 Ų53.613%0.1328%0.28CS..  trans-139.6159-176.6-66.886.2000110.9E3 I24 V28 T51 V70E3-H54 IonicContact OE2-CD2 3.63Å; E3-H54 IonicContact OE2-NE2 2.95Å; E3-H54 PolarHBondContact OE2-NE2 2.99Å; I24-H54 WeakPolarHBondContact CD1-NE2 3.42Å; V28-H54 HydrophobicContact CG2-CB 4.29Å; T51-H54 WeakPolarHBondContact CA-O 3.34Å; T51-H54 WeakPolarHBondContact CB-O 3.44Å; T51-H54 PolarHBondContact N-O 3.09Å; T51-H54 VanDerWaalsContact OG1-C 3.31Å; T51-H54 WeakPolarHBondContact OG1-CA 3.46Å; T51-H54 PolarHBondContact OG1-N 3.09Å; T51-H54 VanDerWaalsContact OG1-N 3.1Å; T51-H54 PolarHBondContact OG1-O 2.79Å; H54-V70 CarbonylContact C-O 3.56Å; H54-V70 WeakPolarHBondContact CA-O 3.42Å
55Y95.5Very high95.7Very high85 Ų8549.3 Ų49.333%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-103.8129.2162.9-60.4-81.7000107.3V50 V70 E73V50-Y55 HydrophobicContact CB-CD1 4.48Å; V50-Y55 HydrophobicContact CB-CE1 4.48Å; V50-Y55 HydrophobicContact CG1-CD1 4.31Å; V50-Y55 HydrophobicContact CG1-CE1 3.94Å; V50-Y55 HydrophobicContact CG2-CD1 4.08Å; V50-Y55 HydrophobicContact CG2-CE1 4.06Å; Y55-V70 PolarHBondContact N-O 3.25Å; Y55-V70 PolarHBondContact O-N 3.41Å; Y55-E73 HydrophobicContact CE2-CB 4.48Å
56L97.1Very high95.8Very high0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-96126.1170.6-56.6178.7000108.3V28 F32 V48 I49 T51 V67 A68 A69V28-L56 HydrophobicContact CG1-CD2 4.47Å; V28-L56 HydrophobicContact CG2-CD2 3.92Å; V28-L56 WeakPolarHBondContact O-CD1 3.26Å; F32-L56 HydrophobicContact CB-CD1 3.95Å; V48-L56 CarbonylContact C-O 3.56Å; V48-L56 WeakPolarHBondContact CA-O 3.38Å; I49-L56 HydrophobicContact CB-CB 4.2Å; I49-L56 PolarHBondContact N-O 3.04Å; I49-L56 PolarHBondContact O-N 3.17Å; T51-L56 HydrophobicContact CG2-CD1 4.01Å; T51-L56 HydrophobicContact CG2-CG 3.95Å; L56-V67 HydrophobicContact CB-CG1 4.07Å; L56-V67 HydrophobicContact CD1-CG1 4.45Å; L56-V67 HydrophobicContact CD2-CG1 4.27Å; L56-A68 CarbonylContact C-O 3.56Å; L56-A68 WeakPolarHBondContact CA-O 3.43Å; L56-A69 HydrophobicContact CD2-CB 3.84Å
57I97.7Very high95.9Very high4 Ų445.8 Ų45.82%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-116.9125175.6-57.7175.2000106.9V47 V48 A68 V70 P76 V79 V80V47-I57 HydrophobicContact CG1-CG2 4.39Å; V47-I57 CarbonylContact O-C 3.53Å; V47-I57 VanDerWaalsContact O-CA 3.29Å; V47-I57 WeakPolarHBondContact O-CA 3.46Å; V48-I57 HydrophobicContact CG1-CG1 4.47Å; V48-I57 HydrophobicContact CG2-CG1 4.31Å; I57-A68 PolarHBondContact N-O 3.05Å; I57-A68 PolarHBondContact O-N 2.77Å; I57-V70 HydrophobicContact CD1-CG2 4.1Å; I57-P76 HydrophobicContact CD1-CB 4.15Å; I57-V79 HydrophobicContact CB-CB 4.32Å; I57-V79 HydrophobicContact CB-CG1 3.84Å; I57-V79 HydrophobicContact CD1-CB 3.79Å; I57-V79 HydrophobicContact CD1-CG1 4.07Å; I57-V79 HydrophobicContact CD1-CG2 3.85Å; I57-V79 HydrophobicContact CG2-CB 4.06Å; I57-V79 HydrophobicContact CG2-CG1 3.88Å; I57-V80 HydrophobicContact CG2-CG2 3.75Å
58N97.3Very high95.9Very high5 Ų542.1 Ų42.13%0.02721%0.212CC..EExtended strand (participates in β ladder)trans-130.1153.7-174.574.599000113.6F32 P46 V47 F66 V67F32-N58 HydrophobicContact CD2-CB 4.46Å; F32-N58 HydrophobicContact CE2-CB 4.25Å; P46-N58 PolarHBondContact O-ND2 3.22Å; V47-N58 PolarHBondContact O-N 3.01Å; V47-N58 PolarHBondContact O-ND2 3.13Å; V47-N58 VanDerWaalsContact O-ND2 3.14Å; N58-F66 WeakPolarHBondContact CA-O 3.39Å; N58-F66 WeakPolarHBondContact CB-O 3.48Å; N58-V67 HydrophobicContact CB-CB 4.38Å; N58-V67 HydrophobicContact CB-CG1 4.41Å; N58-V67 HydrophobicContact CB-CG2 3.91Å
59I97.8Very high95.9Very high10 Ų1039.3 Ų39.35%0.05120%0.195CC..EExtended strand (participates in β ladder)trans-127.7154.3166.966.2165.3000109.2R61 F65 F66 V80 L83 H84 V87I59-R61 HydrophobicContact CD1-CG 4.47Å; I59-F65 WeakPolarHBondContact O-CA 3.41Å; I59-F66 HydrophobicContact CD1-CB 4.42Å; I59-F66 HydrophobicContact CG1-CB 3.81Å; I59-F66 HydrophobicContact CG1-CG 4.47Å; I59-F66 PolarHBondContact N-O 3.28Å; I59-F66 PolarHBondContact O-N 3.2Å; I59-V80 HydrophobicContact CG2-CB 4.46Å; I59-V80 HydrophobicContact CG2-CG1 3.96Å; I59-V80 HydrophobicContact CG2-CG2 4.5Å; I59-L83 VanDerWaalsContact CD1-C 3.43Å; I59-L83 HydrophobicContact CD1-CB 3.54Å; I59-L83 HydrophobicContact CG1-CB 3.76Å; I59-L83 HydrophobicContact CG1-CD1 4.27Å; I59-L83 HydrophobicContact CG2-CB 4.19Å; I59-L83 HydrophobicContact CG2-CD1 4.24Å; I59-H84 HydrophobicContact CD1-CB 4.48Å; I59-V87 HydrophobicContact CD1-CG2 4.11Å
60Y97.1Very high95.9Very high53 Ų5338.6 Ų38.621%0.20819%0.191CC..EExtended strand (participates in β ladder)trans-114.8116.1172-177.9-114.4000109.7P42 E43 Q63 L64 F65P42-Y60 HydrophobicContact CB-CD1 3.79Å; P42-Y60 HydrophobicContact CB-CD2 4.07Å; P42-Y60 HydrophobicContact CB-CE1 3.51Å; P42-Y60 HydrophobicContact CB-CE2 3.82Å; P42-Y60 HydrophobicContact CB-CG 4.04Å; P42-Y60 HydrophobicContact CG-CE1 4.2Å; P42-Y60 HydrophobicContact CG-CE2 4.49Å; E43-Y60 HydrophobicContact CG-CD1 4.28Å; Y60-Q63 VanDerWaalsContact OH-CD 3.22Å; Y60-Q63 PolarHBondContact OH-NE2 3.17Å; Y60-Q63 PolarHBondContact OH-OE1 3.49Å; Y60-L64 WeakPolarHBondContact CA-O 3.44Å; Y60-L64 WeakPolarHBondContact CD2-O 3.49Å; Y60-F65 AromaticContact CD2-CD1 3.94Å; Y60-F65 HydrophobicContact CD2-CD1 3.94Å; Y60-F65 AromaticContact CD2-CD2 3.71Å; Y60-F65 HydrophobicContact CD2-CD2 3.71Å; Y60-F65 AromaticContact CD2-CE1 3.76Å; Y60-F65 HydrophobicContact CD2-CE1 3.76Å; Y60-F65 AromaticContact CD2-CE2 3.49Å; Y60-F65 HydrophobicContact CD2-CE2 3.49Å; Y60-F65 VanDerWaalsContact CD2-CE2 3.49Å; Y60-F65 AromaticContact CD2-CG 3.93Å; Y60-F65 HydrophobicContact CD2-CG 3.93Å; Y60-F65 AromaticContact CD2-CZ 3.54Å; Y60-F65 HydrophobicContact CD2-CZ 3.54Å; Y60-F65 HydrophobicContact CE2-CD2 4.07Å; Y60-F65 AromaticContact CE2-CE2 3.71Å; Y60-F65 HydrophobicContact CE2-CE2 3.71Å; Y60-F65 HydrophobicContact CE2-CZ 4.08Å; Y60-F65 HydrophobicContact CG-CD1 4.42Å; Y60-F65 HydrophobicContact CG-CE1 4.04Å; Y60-F65 HydrophobicContact CG-CE2 4.45Å; Y60-F65 HydrophobicContact CG-CZ 4.07Å
61R95.6Very high95.7Very high57 Ų5739.6 Ų39.622%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-146.7142.6178.8-84-168.963.6177.110.9111I59 Q63 L64 H84 V87 D88I59-R61 HydrophobicContact CD1-CG 4.47Å; R61-Q63 PolarHBondContact O-N 3.38Å; R61-Q63 VanDerWaalsContact O-N 3.12Å; R61-L64 PolarHBondContact N-O 2.91Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-H84 WeakPolarHBondContact CD-ND1 3.34Å; R61-H84 PolarHBondContact NH1-O 2.85Å; R61-H84 VanDerWaalsContact NH1-O 3.15Å; R61-V87 HydrophobicContact CB-CG1 4.19Å; R61-V87 HydrophobicContact CB-CG2 4.27Å; R61-D88 IonicContact CZ-OD1 2.8Å; R61-D88 VanDerWaalsContact CZ-OD1 3.24Å; R61-D88 IonicContact NH1-OD1 2.71Å; R61-D88 PolarHBondContact NH1-OD1 3.29Å; R61-D88 IonicContact NH1-OD2 3.72Å; R61-D88 IonicContact NH2-OD1 3.6Å; R61-D88 PolarHBondContact NH2-OD1 3.16Å
62D93.8Very high95.5Very high79 Ų7943.3 Ų43.342%0.42221%0.21SC..THydrogen-bonded Turntrans50.938.8176.7-59.3-71.2000113.1L64 V87 C97D62-L64 PolarHBondContact O-N 3.22Å; D62-V87 WeakPolarHBondContact OD2-CG1 3.1Å; D62-C97 HydrophobicContact CB-CB 4.02Å; D62-C97 WeakPolarHBondContact CB-O 3.42Å
63Q94.4Very high95.3Very high122 Ų12246.9 Ų46.957%0.5722%0.219SC*.THydrogen-bonded Turntrans65.317.8-178.5-54.8-70.7-41.400115Y60 R61Y60-Q63 VanDerWaalsContact OH-CD 3.22Å; Y60-Q63 PolarHBondContact OH-NE2 3.17Å; Y60-Q63 PolarHBondContact OH-OE1 3.49Å; R61-Q63 PolarHBondContact O-N 3.38Å; R61-Q63 VanDerWaalsContact O-N 3.12Å
64L96.7Very high95.2Very high5 Ų541.3 Ų41.33%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-122.4147177.1-60.9176000110.4V7 N9 Y60 R61 D62 F66 D99 I102V7-L64 HydrophobicContact CG1-CB 4.32Å; V7-L64 HydrophobicContact CG1-CD1 4.24Å; N9-L64 HydrophobicContact CB-CD2 3.93Å; Y60-L64 WeakPolarHBondContact CA-O 3.44Å; Y60-L64 WeakPolarHBondContact CD2-O 3.49Å; R61-L64 PolarHBondContact N-O 2.91Å; R61-L64 PolarHBondContact O-N 2.89Å; D62-L64 PolarHBondContact O-N 3.22Å; L64-F66 HydrophobicContact CB-CD2 4.43Å; L64-F66 HydrophobicContact CB-CE2 3.86Å; L64-F66 HydrophobicContact CD1-CE2 4.42Å; L64-D99 HydrophobicContact CD2-CB 4.41Å; L64-I102 HydrophobicContact CD1-CD1 3.58Å
65F97.9Very high95.2Very high5 Ų544.3 Ų44.32%0.02222%0.216CC..EExtended strand (participates in β ladder)trans-97.2131.9167.7-75.2-86.2000110V7 I8 F32 P42 V45 I59 Y60 V67V7-F65 CarbonylContact C-O 3.59Å; V7-F65 WeakPolarHBondContact CA-O 3.33Å; I8-F65 HydrophobicContact CB-CB 4.19Å; I8-F65 PolarHBondContact N-O 3.43Å; I8-F65 PolarHBondContact O-N 3.47Å; F32-F65 HydrophobicContact CE1-CB 4.42Å; F32-F65 HydrophobicContact CE1-CG 4.37Å; F32-F65 HydrophobicContact CE2-CB 4.37Å; F32-F65 AromaticContact CE2-CD1 3.74Å; F32-F65 HydrophobicContact CE2-CD1 3.74Å; F32-F65 HydrophobicContact CE2-CE1 4.16Å; F32-F65 HydrophobicContact CE2-CG 4.1Å; F32-F65 HydrophobicContact CZ-CB 3.74Å; F32-F65 AromaticContact CZ-CD1 3.52Å; F32-F65 HydrophobicContact CZ-CD1 3.52Å; F32-F65 AromaticContact CZ-CD2 3.87Å; F32-F65 HydrophobicContact CZ-CD2 3.87Å; F32-F65 AromaticContact CZ-CE1 3.98Å; F32-F65 HydrophobicContact CZ-CE1 3.98Å; F32-F65 HydrophobicContact CZ-CE2 4.32Å; F32-F65 AromaticContact CZ-CG 3.43Å; F32-F65 HydrophobicContact CZ-CG 3.43Å; F32-F65 VanDerWaalsContact CZ-CG 3.43Å; F32-F65 HydrophobicContact CZ-CZ 4.35Å; P42-F65 HydrophobicContact CB-CE2 4.2Å; P42-F65 HydrophobicContact CB-CZ 3.74Å; V45-F65 HydrophobicContact CB-CE1 4.21Å; V45-F65 HydrophobicContact CG2-CE1 4.04Å; V45-F65 HydrophobicContact CG2-CZ 3.96Å; I59-F65 WeakPolarHBondContact O-CA 3.41Å; Y60-F65 AromaticContact CD2-CD1 3.94Å; Y60-F65 HydrophobicContact CD2-CD1 3.94Å; Y60-F65 AromaticContact CD2-CD2 3.71Å; Y60-F65 HydrophobicContact CD2-CD2 3.71Å; Y60-F65 AromaticContact CD2-CE1 3.76Å; Y60-F65 HydrophobicContact CD2-CE1 3.76Å; Y60-F65 AromaticContact CD2-CE2 3.49Å; Y60-F65 HydrophobicContact CD2-CE2 3.49Å; Y60-F65 VanDerWaalsContact CD2-CE2 3.49Å; Y60-F65 AromaticContact CD2-CG 3.93Å; Y60-F65 HydrophobicContact CD2-CG 3.93Å; Y60-F65 AromaticContact CD2-CZ 3.54Å; Y60-F65 HydrophobicContact CD2-CZ 3.54Å; Y60-F65 HydrophobicContact CE2-CD2 4.07Å; Y60-F65 AromaticContact CE2-CE2 3.71Å; Y60-F65 HydrophobicContact CE2-CE2 3.71Å; Y60-F65 HydrophobicContact CE2-CZ 4.08Å; Y60-F65 HydrophobicContact CG-CD1 4.42Å; Y60-F65 HydrophobicContact CG-CE1 4.04Å; Y60-F65 HydrophobicContact CG-CE2 4.45Å; Y60-F65 HydrophobicContact CG-CZ 4.07Å; F65-V67 HydrophobicContact CB-CG2 4.28Å
66F98Very high95.2Very high2 Ų243 Ų431%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-108.8115.2170-70-106.9000107L5 V7 N58 I59 L64 L83 V86 V87 I102L5-F66 HydrophobicContact CD1-CB 4.32Å; L5-F66 HydrophobicContact CD1-CD1 4.41Å; V7-F66 HydrophobicContact CG1-CE1 4.21Å; V7-F66 HydrophobicContact CG1-CE2 4.31Å; V7-F66 HydrophobicContact CG1-CZ 4.06Å; V7-F66 HydrophobicContact CG2-CD1 3.7Å; V7-F66 HydrophobicContact CG2-CE1 3.61Å; V7-F66 HydrophobicContact CG2-CG 4.45Å; V7-F66 HydrophobicContact CG2-CZ 4.3Å; N58-F66 WeakPolarHBondContact CA-O 3.39Å; N58-F66 WeakPolarHBondContact CB-O 3.48Å; I59-F66 HydrophobicContact CD1-CB 4.42Å; I59-F66 HydrophobicContact CG1-CB 3.81Å; I59-F66 HydrophobicContact CG1-CG 4.47Å; I59-F66 PolarHBondContact N-O 3.28Å; I59-F66 PolarHBondContact O-N 3.2Å; L64-F66 HydrophobicContact CB-CD2 4.43Å; L64-F66 HydrophobicContact CB-CE2 3.86Å; L64-F66 HydrophobicContact CD1-CE2 4.42Å; F66-L83 HydrophobicContact CB-CD1 4.5Å; F66-L83 HydrophobicContact CB-CD2 4.23Å; F66-V86 HydrophobicContact CD1-CG1 4.4Å; F66-V86 HydrophobicContact CE1-CG1 4.14Å; F66-V87 HydrophobicContact CD1-CG2 4.29Å; F66-V87 HydrophobicContact CD2-CG2 3.8Å; F66-V87 HydrophobicContact CE1-CG2 4.02Å; F66-V87 HydrophobicContact CE2-CG2 3.51Å; F66-V87 HydrophobicContact CG-CG2 4.21Å; F66-V87 HydrophobicContact CZ-CG2 3.64Å; F66-I102 HydrophobicContact CZ-CD1 4.41Å
67V97.9Very high95.1Very high0 Ų049.7 Ų49.70%025%0.253CS..EExtended strand (participates in β ladder)trans-118.1111.3-173.2-173.20000109.1L5 F6 I8 F32 L56 N58 F65L5-V67 WeakPolarHBondContact CA-O 3.43Å; F6-V67 HydrophobicContact CB-CB 4.46Å; F6-V67 PolarHBondContact N-O 3.27Å; F6-V67 PolarHBondContact O-N 2.98Å; I8-V67 HydrophobicContact CD1-CG2 3.8Å; I8-V67 HydrophobicContact CG1-CG2 4.49Å; F32-V67 HydrophobicContact CD1-CG2 4.32Å; F32-V67 HydrophobicContact CD2-CG1 4.47Å; F32-V67 HydrophobicContact CD2-CG2 3.79Å; F32-V67 HydrophobicContact CE1-CG2 4.38Å; F32-V67 HydrophobicContact CE2-CG2 3.85Å; F32-V67 HydrophobicContact CG-CG2 4.05Å; F32-V67 HydrophobicContact CZ-CG2 4.17Å; L56-V67 HydrophobicContact CB-CG1 4.07Å; L56-V67 HydrophobicContact CD1-CG1 4.45Å; L56-V67 HydrophobicContact CD2-CG1 4.27Å; N58-V67 HydrophobicContact CB-CB 4.38Å; N58-V67 HydrophobicContact CB-CG1 4.41Å; N58-V67 HydrophobicContact CB-CG2 3.91Å; F65-V67 HydrophobicContact CB-CG2 4.28Å
68A97.4Very high94.9Very high0 Ų053.1 Ų53.10%027%0.274CS..EExtended strand (participates in β ladder)trans-92.9129.2173.400000110.9I2 S4 L56 I57 V79 L83I2-A68 HydrophobicContact CG2-CB 4.24Å; S4-A68 CarbonylContact O-C 3.52Å; S4-A68 VanDerWaalsContact O-CA 3.3Å; S4-A68 WeakPolarHBondContact O-CA 3.49Å; L56-A68 CarbonylContact C-O 3.56Å; L56-A68 WeakPolarHBondContact CA-O 3.43Å; I57-A68 PolarHBondContact N-O 3.05Å; I57-A68 PolarHBondContact O-N 2.77Å; A68-V79 HydrophobicContact CB-CG1 3.53Å; A68-L83 HydrophobicContact CB-CD1 4.16Å; A68-L83 HydrophobicContact CB-CD2 4.17Å; A68-L83 HydrophobicContact CB-CG 4.5Å
69A96.8Very high94.8Very high0 Ų053 Ų530%027%0.273CS..EExtended strand (participates in β ladder)trans-93.5129170.200000110.5E3 S4 F6 I24 L56E3-A69 PolarHBondContact N-O 2.74Å; S4-A69 PolarHBondContact N-O 3.36Å; S4-A69 PolarHBondContact O-N 3.24Å; F6-A69 HydrophobicContact CE2-CB 4.28Å; I24-A69 HydrophobicContact CD1-CB 3.75Å; L56-A69 HydrophobicContact CD2-CB 3.84Å
70V95.4Very high94.8Very high2 Ų253.7 Ų53.71%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-130.3127.2-175-173.70000109.5M1 I2 H54 Y55 I57 V72 L74 V79M1-V70 WeakPolarHBondContact O-CG1 3.16Å; I2-V70 HydrophobicContact CG1-CG2 4.36Å; H54-V70 CarbonylContact C-O 3.56Å; H54-V70 WeakPolarHBondContact CA-O 3.42Å; Y55-V70 PolarHBondContact N-O 3.25Å; Y55-V70 PolarHBondContact O-N 3.41Å; I57-V70 HydrophobicContact CD1-CG2 4.1Å; V70-V72 WeakPolarHBondContact CG1-O 3.49Å; V70-L74 HydrophobicContact CG1-CD2 3.25Å; V70-L74 HydrophobicContact CG1-CG 4.03Å; V70-V79 HydrophobicContact CG2-CG2 4.3Å
71K91Very high94.7Very high123 Ų12355.9 Ų55.954%0.53529%0.29SS..SBendtrans-87.1-27.8-178.2-173.1173.2-176.6175.80115E3E3-K71 VanDerWaalsContact CD-CB 3.49Å; E3-K71 HydrophobicContact CG-CB 4.27Å; E3-K71 VanDerWaalsContact OE1-CB 3.27Å; E3-K71 WeakPolarHBondContact OE1-CB 3.4Å; E3-K71 WeakPolarHBondContact OE1-CD 3.36Å
72V89.8Confident94.8Very high94 Ų9453.4 Ų53.457%0.5728%0.281SS*.SBendtrans-117.2136.6-175.2-177.40000108.8V70 L74V70-V72 WeakPolarHBondContact CG1-O 3.49Å; V72-L74 PolarHBondContact O-N 2.71Å
73E88.3Confident95Very high162 Ų16249.7 Ų49.776%0.75726%0.261SS*.  trans-54130.4175.1-170.4178.717500110.9Y55Y55-E73 HydrophobicContact CE2-CB 4.48Å
74L90.7Very high95.1Very high32 Ų3246.7 Ų46.717%0.16825%0.247CC..  trans-153159.8178.368.390.5000109.1M1 V70 V72 P76 V79M1-L74 HydrophobicContact SD-CD2 4.47Å; V70-L74 HydrophobicContact CG1-CD2 3.25Å; V70-L74 HydrophobicContact CG1-CG 4.03Å; V72-L74 PolarHBondContact O-N 2.71Å; L74-P76 WeakPolarHBondContact O-CD 3.05Å; L74-P76 VanDerWaalsContact O-N 3.08Å; L74-V79 HydrophobicContact CD1-CG2 3.39Å; L74-V79 HydrophobicContact CD2-CG2 4.4Å; L74-V79 HydrophobicContact CG-CG2 4.39Å
75P93.5Very high95Very high90 Ų9049.1 Ų49.158%0.58426%0.256SS*.  trans-56.5113.4179.6-24.734.9000111.6L77 V78P75-L77 PolarHBondContact O-N 3.03Å; P75-L77 VanDerWaalsContact O-N 3.1Å; P75-V78 HydrophobicContact CB-CG2 4.22Å; P75-V78 PolarHBondContact O-N 2.83Å
76P94Very high95Very high59 Ų5949 Ų4938%0.38326%0.255SS..Hα-helixtrans-60-31.5-170.3-27.435.7000113.7V48 I57 L74 V78 V79 V80V48-P76 HydrophobicContact CG2-CB 3.92Å; V48-P76 HydrophobicContact CG2-CG 4.17Å; I57-P76 HydrophobicContact CD1-CB 4.15Å; L74-P76 WeakPolarHBondContact O-CD 3.05Å; L74-P76 VanDerWaalsContact O-N 3.08Å; P76-V78 PolarHBondContact O-N 2.82Å; P76-V79 PolarHBondContact O-N 2.84Å; P76-V80 WeakPolarHBondContact O-CG2 3.43Å; P76-V80 PolarHBondContact O-N 3.43Å
77L95.1Very high94.9Very high139 Ų13948.9 Ų48.973%0.72826%0.255SS*.Hα-helixtrans-57.8-30.3178.4-72.2172000113.5P75 V79 V80 E81P75-L77 PolarHBondContact O-N 3.03Å; P75-L77 VanDerWaalsContact O-N 3.1Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 3.19Å; L77-V80 PolarHBondContact O-N 2.95Å; L77-E81 WeakPolarHBondContact O-CB 3.38Å; L77-E81 PolarHBondContact O-N 2.97Å
78V94Very high94.8Very high77 Ų7752.1 Ų52.147%0.46727%0.272SS..Hα-helixtrans-65.9-39.1176.4175.50000110.7P75 P76 F82P75-V78 HydrophobicContact CB-CG2 4.22Å; P75-V78 PolarHBondContact O-N 2.83Å; P76-V78 PolarHBondContact O-N 2.82Å; V78-F82 WeakPolarHBondContact O-CB 3.41Å; V78-F82 PolarHBondContact O-N 2.86Å; V78-F82 VanDerWaalsContact O-N 3.09Å
79V96.4Very high94.7Very high1 Ų152.2 Ų52.21%0.00627%0.273CS..Hα-helixtrans-75.4-42.8179.1-179.30000109.9I2 I57 A68 V70 L74 P76 L77 E81 F82 L83I2-V79 HydrophobicContact CD1-CB 4.4Å; I2-V79 HydrophobicContact CD1-CG1 4.01Å; I2-V79 HydrophobicContact CD1-CG2 4Å; I2-V79 HydrophobicContact CG1-CG1 4.19Å; I2-V79 HydrophobicContact CG1-CG2 3.87Å; I57-V79 HydrophobicContact CB-CB 4.32Å; I57-V79 HydrophobicContact CB-CG1 3.84Å; I57-V79 HydrophobicContact CD1-CB 3.79Å; I57-V79 HydrophobicContact CD1-CG1 4.07Å; I57-V79 HydrophobicContact CD1-CG2 3.85Å; I57-V79 HydrophobicContact CG2-CB 4.06Å; I57-V79 HydrophobicContact CG2-CG1 3.88Å; A68-V79 HydrophobicContact CB-CG1 3.53Å; V70-V79 HydrophobicContact CG2-CG2 4.3Å; L74-V79 HydrophobicContact CD1-CG2 3.39Å; L74-V79 HydrophobicContact CD2-CG2 4.4Å; L74-V79 HydrophobicContact CG-CG2 4.39Å; P76-V79 PolarHBondContact O-N 2.84Å; L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 3.19Å; V79-E81 PolarHBondContact O-N 3.43Å; V79-F82 PolarHBondContact O-N 2.9Å; V79-L83 HydrophobicContact CG1-CD1 4.23Å; V79-L83 HydrophobicContact CG1-CG 4.32Å; V79-L83 VanDerWaalsContact O-CG 3.26Å; V79-L83 WeakPolarHBondContact O-CG 3.44Å; V79-L83 PolarHBondContact O-N 3.29Å
80V97.1Very high94.6Very high25 Ų2552.4 Ų52.415%0.15227%0.274CS..Hα-helixtrans-56.2-51174.8171.50000110.9V47 I57 I59 P76 L77 F82 L83 H84V47-V80 HydrophobicContact CG1-CG2 3.77Å; I57-V80 HydrophobicContact CG2-CG2 3.75Å; I59-V80 HydrophobicContact CG2-CB 4.46Å; I59-V80 HydrophobicContact CG2-CG1 3.96Å; I59-V80 HydrophobicContact CG2-CG2 4.5Å; P76-V80 WeakPolarHBondContact O-CG2 3.43Å; P76-V80 PolarHBondContact O-N 3.43Å; L77-V80 PolarHBondContact O-N 2.95Å; V80-F82 PolarHBondContact O-N 3.41Å; V80-L83 PolarHBondContact O-N 3.21Å; V80-H84 PolarHBondContact O-CD2 2.89Å; V80-H84 PolarHBondContact O-N 3.18Å
81E95.3Very high94.6Very high99 Ų9954.6 Ų54.646%0.46329%0.285SS..Hα-helixtrans-59.9-43.8177.2176.159.9-16100111.9L77 V79 L83 H84 R85L77-E81 WeakPolarHBondContact O-CB 3.38Å; L77-E81 PolarHBondContact O-N 2.97Å; V79-E81 PolarHBondContact O-N 3.43Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.37Å; E81-H84 PolarHBondContact O-N 2.91Å; E81-R85 WeakPolarHBondContact O-CB 3.5Å; E81-R85 PolarHBondContact O-N 3.43Å; E81-R85 IonicContact OE1-CZ 3.34Å; E81-R85 IonicContact OE1-NE 3.25Å; E81-R85 IonicContact OE1-NH2 2.71Å; E81-R85 PolarHBondContact OE1-NH2 3.36Å
82F96.8Very high94.6Very high6 Ų652.2 Ų52.23%0.02628%0.277CS..Hα-helixtrans-59-45176.2172.4-101.6000111.9I2 V78 V79 V80 R85 V86 M116 L117 P122 T125I2-F82 HydrophobicContact CD1-CD1 3.63Å; I2-F82 HydrophobicContact CD1-CE1 4.12Å; I2-F82 HydrophobicContact CD1-CG 4.2Å; V78-F82 WeakPolarHBondContact O-CB 3.41Å; V78-F82 PolarHBondContact O-N 2.86Å; V78-F82 VanDerWaalsContact O-N 3.09Å; V79-F82 PolarHBondContact O-N 2.9Å; V80-F82 PolarHBondContact O-N 3.41Å; F82-R85 WeakPolarHBondContact O-CB 3.22Å; F82-R85 PolarHBondContact O-N 3.29Å; F82-V86 HydrophobicContact CD1-CG2 4.34Å; F82-V86 HydrophobicContact CE1-CG2 3.81Å; F82-V86 HydrophobicContact CE2-CG2 4.12Å; F82-V86 HydrophobicContact CZ-CG2 3.68Å; F82-V86 WeakPolarHBondContact O-CG2 3.38Å; F82-V86 PolarHBondContact O-N 2.91Å; F82-M116 HydrophobicContact CE2-CB 4.11Å; F82-M116 HydrophobicContact CE2-CE 4.33Å; F82-L117 HydrophobicContact CD1-CD1 4.28Å; F82-L117 HydrophobicContact CD2-CD1 4.19Å; F82-L117 HydrophobicContact CE1-CD1 3.84Å; F82-L117 HydrophobicContact CE2-CB 4.08Å; F82-L117 HydrophobicContact CE2-CD1 3.73Å; F82-L117 HydrophobicContact CG-CD1 4.44Å; F82-L117 HydrophobicContact CZ-CB 3.79Å; F82-L117 HydrophobicContact CZ-CD1 3.56Å; F82-L117 HydrophobicContact CZ-CG 4.22Å; F82-P122 HydrophobicContact CB-CG 4.14Å; F82-P122 HydrophobicContact CD2-CB 3.86Å; F82-P122 HydrophobicContact CD2-CG 3.79Å; F82-P122 HydrophobicContact CE2-CB 4.4Å; F82-P122 HydrophobicContact CG-CG 4.07Å; F82-T125 HydrophobicContact CD2-CG2 4.35Å
83L97.7Very high94.7Very high0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-63.7-42.7178.2-66.7179.2000111.5L5 I59 F66 A68 V79 V80 E81 R85 V86 V87L5-L83 HydrophobicContact CD1-CD2 3.49Å; L5-L83 VanDerWaalsContact CD1-CD2 3.49Å; I59-L83 VanDerWaalsContact CD1-C 3.43Å; I59-L83 HydrophobicContact CD1-CB 3.54Å; I59-L83 HydrophobicContact CG1-CB 3.76Å; I59-L83 HydrophobicContact CG1-CD1 4.27Å; I59-L83 HydrophobicContact CG2-CB 4.19Å; I59-L83 HydrophobicContact CG2-CD1 4.24Å; F66-L83 HydrophobicContact CB-CD1 4.5Å; F66-L83 HydrophobicContact CB-CD2 4.23Å; A68-L83 HydrophobicContact CB-CD1 4.16Å; A68-L83 HydrophobicContact CB-CD2 4.17Å; A68-L83 HydrophobicContact CB-CG 4.5Å; V79-L83 HydrophobicContact CG1-CD1 4.23Å; V79-L83 HydrophobicContact CG1-CG 4.32Å; V79-L83 VanDerWaalsContact O-CG 3.26Å; V79-L83 WeakPolarHBondContact O-CG 3.44Å; V79-L83 PolarHBondContact O-N 3.29Å; V80-L83 PolarHBondContact O-N 3.21Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.37Å; L83-R85 VanDerWaalsContact C-N 3.25Å; L83-R85 PolarHBondContact O-N 2.83Å; L83-V86 WeakPolarHBondContact O-CB 3.3Å; L83-V86 PolarHBondContact O-N 2.91Å; L83-V87 WeakPolarHBondContact O-CG2 3.3Å; L83-V87 PolarHBondContact O-N 3.37Å
84H96.9Very high94.9Very high60 Ų6041.8 Ų41.828%0.27822%0.222SC..Hα-helixtrans-59.3-41.3174.2-82.8-75.8000111.3I59 R61 V80 E81 V87 D88I59-H84 HydrophobicContact CD1-CB 4.48Å; R61-H84 WeakPolarHBondContact CD-ND1 3.34Å; R61-H84 PolarHBondContact NH1-O 2.85Å; R61-H84 VanDerWaalsContact NH1-O 3.15Å; V80-H84 PolarHBondContact O-CD2 2.89Å; V80-H84 PolarHBondContact O-N 3.18Å; E81-H84 PolarHBondContact O-N 2.91Å; H84-V87 WeakPolarHBondContact O-CB 3.45Å; H84-V87 PolarHBondContact O-N 3.04Å; H84-D88 PolarHBondContact O-N 3.01Å
85R95.6Very high94.9Very high55 Ų5547.5 Ų47.521%0.20825%0.252CS..Hα-helixtrans-65.9-37.4178.2-16761.163.6102.87.7112.8E81 F82 L83 V87 D88 I89 M116 T125 E126E81-R85 WeakPolarHBondContact O-CB 3.5Å; E81-R85 PolarHBondContact O-N 3.43Å; E81-R85 IonicContact OE1-CZ 3.34Å; E81-R85 IonicContact OE1-NE 3.25Å; E81-R85 IonicContact OE1-NH2 2.71Å; E81-R85 PolarHBondContact OE1-NH2 3.36Å; F82-R85 WeakPolarHBondContact O-CB 3.22Å; F82-R85 PolarHBondContact O-N 3.29Å; L83-R85 VanDerWaalsContact C-N 3.25Å; L83-R85 PolarHBondContact O-N 2.83Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 2.9Å; R85-D88 PolarHBondContact O-N 3.37Å; R85-I89 WeakPolarHBondContact O-CG1 3.16Å; R85-I89 PolarHBondContact O-N 3.23Å; R85-M116 HydrophobicContact CB-CE 4.49Å; R85-M116 HydrophobicContact CG-CE 4.12Å; R85-T125 HydrophobicContact CG-CG2 4.48Å; R85-T125 PolarHBondContact NH1-O 2.8Å; R85-E126 IonicContact NH1-OE1 2.72Å
86V97Very high94.9Very high3 Ų348.2 Ų48.22%0.01825%0.248CC..Hα-helixtrans-57.6-48.2172.1169.40000110F66 F82 L83 D88 I89 V90 L113 M116F66-V86 HydrophobicContact CD1-CG1 4.4Å; F66-V86 HydrophobicContact CE1-CG1 4.14Å; F82-V86 HydrophobicContact CD1-CG2 4.34Å; F82-V86 HydrophobicContact CE1-CG2 3.81Å; F82-V86 HydrophobicContact CE2-CG2 4.12Å; F82-V86 HydrophobicContact CZ-CG2 3.68Å; F82-V86 WeakPolarHBondContact O-CG2 3.38Å; F82-V86 PolarHBondContact O-N 2.91Å; L83-V86 WeakPolarHBondContact O-CB 3.3Å; L83-V86 PolarHBondContact O-N 2.91Å; V86-D88 VanDerWaalsContact C-N 3.34Å; V86-D88 PolarHBondContact O-N 3.37Å; V86-I89 PolarHBondContact O-N 3.42Å; V86-V90 WeakPolarHBondContact O-CG2 3.32Å; V86-V90 PolarHBondContact O-N 3.1Å; V86-L113 HydrophobicContact CG1-CD2 3.92Å; V86-L113 HydrophobicContact CG2-CD2 3.98Å; V86-M116 HydrophobicContact CB-CE 4.44Å; V86-M116 HydrophobicContact CG2-CE 3.77Å; V86-M116 HydrophobicContact CG2-SD 4.32Å
87V97.3Very high95Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-59.9-44.6177.5-178.50000111.3I59 R61 D62 F66 L83 H84 R85 I89 V90 I91 C97I59-V87 HydrophobicContact CD1-CG2 4.11Å; R61-V87 HydrophobicContact CB-CG1 4.19Å; R61-V87 HydrophobicContact CB-CG2 4.27Å; D62-V87 WeakPolarHBondContact OD2-CG1 3.1Å; F66-V87 HydrophobicContact CD1-CG2 4.29Å; F66-V87 HydrophobicContact CD2-CG2 3.8Å; F66-V87 HydrophobicContact CE1-CG2 4.02Å; F66-V87 HydrophobicContact CE2-CG2 3.51Å; F66-V87 HydrophobicContact CG-CG2 4.21Å; F66-V87 HydrophobicContact CZ-CG2 3.64Å; L83-V87 WeakPolarHBondContact O-CG2 3.3Å; L83-V87 PolarHBondContact O-N 3.37Å; H84-V87 WeakPolarHBondContact O-CB 3.45Å; H84-V87 PolarHBondContact O-N 3.04Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 2.9Å; V87-I89 VanDerWaalsContact C-N 3.31Å; V87-I89 PolarHBondContact O-N 3.45Å; V87-V90 PolarHBondContact O-N 3.18Å; V87-I91 HydrophobicContact CG1-CD1 3.91Å; V87-I91 HydrophobicContact CG1-CG1 4.43Å; V87-I91 WeakPolarHBondContact O-CG1 3.47Å; V87-I91 PolarHBondContact O-N 3.08Å; V87-C97 HydrophobicContact CG1-CB 4.18Å
88D94.9Very high95Very high67 Ų6740.3 Ų40.336%0.35821%0.206SC..Hα-helixtrans-62.8-37.5179.3-65.9-22.6000112.3R61 H84 R85 V86 L92R61-D88 IonicContact CZ-OD1 2.8Å; R61-D88 VanDerWaalsContact CZ-OD1 3.24Å; R61-D88 IonicContact NH1-OD1 2.71Å; R61-D88 PolarHBondContact NH1-OD1 3.29Å; R61-D88 IonicContact NH1-OD2 3.72Å; R61-D88 IonicContact NH2-OD1 3.6Å; R61-D88 PolarHBondContact NH2-OD1 3.16Å; H84-D88 PolarHBondContact O-N 3.01Å; R85-D88 PolarHBondContact O-N 3.37Å; V86-D88 VanDerWaalsContact C-N 3.34Å; V86-D88 PolarHBondContact O-N 3.37Å; D88-L92 VanDerWaalsContact O-CB 3.3Å; D88-L92 WeakPolarHBondContact O-CB 3.47Å; D88-L92 PolarHBondContact O-N 3.08Å
89I95Very high95Very high3 Ų338.6 Ų38.62%0.01519%0.194CC..Hα-helixtrans-68.3-39.7174.7-68-59.2000111.5R85 V86 V87 L92 Y93 L112 M116 P127 L130R85-I89 WeakPolarHBondContact O-CG1 3.16Å; R85-I89 PolarHBondContact O-N 3.23Å; V86-I89 PolarHBondContact O-N 3.42Å; V87-I89 VanDerWaalsContact C-N 3.31Å; V87-I89 PolarHBondContact O-N 3.45Å; I89-L92 HydrophobicContact CD1-CD2 4.22Å; I89-L92 PolarHBondContact O-N 3.43Å; I89-Y93 HydrophobicContact CG2-CD2 3.97Å; I89-Y93 HydrophobicContact CG2-CE2 4.04Å; I89-Y93 VanDerWaalsContact O-CD2 3.29Å; I89-Y93 WeakPolarHBondContact O-CD2 3.42Å; I89-Y93 PolarHBondContact O-N 2.95Å; I89-L112 HydrophobicContact CG2-CD1 4.12Å; I89-L112 HydrophobicContact CG2-CD2 4.16Å; I89-M116 HydrophobicContact CB-CE 4.45Å; I89-M116 HydrophobicContact CB-SD 4.16Å; I89-M116 HydrophobicContact CG1-CE 3.92Å; I89-M116 HydrophobicContact CG1-SD 4.04Å; I89-M116 HydrophobicContact CG2-SD 4.09Å; I89-P127 HydrophobicContact CD1-CB 4.21Å; I89-P127 HydrophobicContact CD1-CG 3.95Å; I89-L130 HydrophobicContact CD1-CD1 3.58Å; I89-L130 HydrophobicContact CG1-CD1 3.82Å; I89-L130 HydrophobicContact CG2-CD1 4.22Å
90V95.3Very high94.9Very high3 Ų342.8 Ų42.82%0.01822%0.22CC..Hα-helixtrans-60.1-49.9174.4173.80000110.2V86 V87 L92 Y93 F94 C97 L109V86-V90 WeakPolarHBondContact O-CG2 3.32Å; V86-V90 PolarHBondContact O-N 3.1Å; V87-V90 PolarHBondContact O-N 3.18Å; V90-L92 VanDerWaalsContact C-N 3.27Å; V90-L92 PolarHBondContact O-N 2.99Å; V90-Y93 PolarHBondContact O-N 2.73Å; V90-Y93 VanDerWaalsContact O-N 3.16Å; V90-F94 HydrophobicContact CG1-CD2 3.89Å; V90-F94 HydrophobicContact CG1-CE2 4.47Å; V90-F94 WeakPolarHBondContact O-CD2 3.36Å; V90-F94 PolarHBondContact O-N 3.2Å; V90-C97 HydrophobicContact CG1-CB 4.06Å; V90-L109 HydrophobicContact CG2-CD2 3.85Å; V90-L109 HydrophobicContact CG2-CG 4.35Å
91I94.2Very high94.8Very high49 Ų4942.5 Ų42.525%0.25122%0.218SC..Hα-helixtrans-59.8-39.4176.9-65.8169.8000110.9V87 Y93 D95 C97V87-I91 HydrophobicContact CG1-CD1 3.91Å; V87-I91 HydrophobicContact CG1-CG1 4.43Å; V87-I91 WeakPolarHBondContact O-CG1 3.47Å; V87-I91 PolarHBondContact O-N 3.08Å; I91-Y93 VanDerWaalsContact C-N 3.34Å; I91-Y93 PolarHBondContact O-N 2.88Å; I91-D95 CarbonylContact O-C 3.47Å; I91-D95 WeakPolarHBondContact O-CA 3.41Å; I91-D95 PolarHBondContact O-N 3.34Å; I91-C97 HydrophobicContact CD1-CB 4.41Å; I91-C97 HydrophobicContact CG1-CB 3.85Å
92L90.9Very high94.7Very high72 Ų7237.8 Ų37.838%0.37720%0.196SC..Hα-helixtrans-65.3-35.2178.3178.468.3000113.3D88 I89 V90 P127 Q131D88-L92 VanDerWaalsContact O-CB 3.3Å; D88-L92 WeakPolarHBondContact O-CB 3.47Å; D88-L92 PolarHBondContact O-N 3.08Å; I89-L92 HydrophobicContact CD1-CD2 4.22Å; I89-L92 PolarHBondContact O-N 3.43Å; V90-L92 VanDerWaalsContact C-N 3.27Å; V90-L92 PolarHBondContact O-N 2.99Å; L92-P127 HydrophobicContact CD2-CB 3.56Å; L92-P127 HydrophobicContact CD2-CG 4.35Å; L92-Q131 HydrophobicContact CD2-CG 4.43Å
93Y92.5Very high94.6Very high13 Ų1342.1 Ų42.15%0.05122%0.215CC..Hα-helixtrans-85.1-30.4-177.4-89.4-112.9000113.4I89 V90 I91 T108 L112 L130 Q131 I134 P136I89-Y93 HydrophobicContact CG2-CD2 3.97Å; I89-Y93 HydrophobicContact CG2-CE2 4.04Å; I89-Y93 VanDerWaalsContact O-CD2 3.29Å; I89-Y93 WeakPolarHBondContact O-CD2 3.42Å; I89-Y93 PolarHBondContact O-N 2.95Å; V90-Y93 PolarHBondContact O-N 2.73Å; V90-Y93 VanDerWaalsContact O-N 3.16Å; I91-Y93 VanDerWaalsContact C-N 3.34Å; I91-Y93 PolarHBondContact O-N 2.88Å; Y93-T108 HydrophobicContact CD1-CG2 4.32Å; Y93-L112 HydrophobicContact CD1-CD1 3.92Å; Y93-L112 HydrophobicContact CD2-CD1 4.28Å; Y93-L112 HydrophobicContact CE1-CD1 4.07Å; Y93-L112 HydrophobicContact CE1-CD2 3.89Å; Y93-L112 HydrophobicContact CE1-CG 4.44Å; Y93-L112 HydrophobicContact CE2-CD1 4.42Å; Y93-L112 HydrophobicContact CE2-CD2 3.93Å; Y93-L112 HydrophobicContact CG-CD1 4.02Å; Y93-L130 PolarHBondContact OH-O 2.93Å; Y93-Q131 HydrophobicContact CE2-CG 3.84Å; Y93-Q131 VanDerWaalsContact OH-CA 3.22Å; Y93-Q131 WeakPolarHBondContact OH-CA 3.32Å; Y93-Q131 PolarHBondContact OH-N 3.28Å; Y93-Q131 VanDerWaalsContact OH-N 3.13Å; Y93-I134 HydrophobicContact CE1-CG2 4.34Å; Y93-I134 WeakPolarHBondContact CE1-O 3.48Å; Y93-I134 VanDerWaalsContact CZ-O 3.29Å; Y93-I134 PolarHBondContact OH-O 3.15Å; Y93-P136 HydrophobicContact CD1-CB 3.97Å; Y93-P136 HydrophobicContact CD1-CG 4.2Å; Y93-P136 HydrophobicContact CE1-CB 4.18Å; Y93-P136 HydrophobicContact CE1-CG 3.99Å
94F92.8Very high94.4Very high24 Ų2447.9 Ų47.911%0.10525%0.246CC..Hα-helixtrans-128.49-168.3-49-68.9000114V90 E96 V101 N105 T108 L109 P137V90-F94 HydrophobicContact CG1-CD2 3.89Å; V90-F94 HydrophobicContact CG1-CE2 4.47Å; V90-F94 WeakPolarHBondContact O-CD2 3.36Å; V90-F94 PolarHBondContact O-N 3.2Å; F94-E96 PolarHBondContact O-N 3.22Å; F94-V101 HydrophobicContact CB-CG1 3.42Å; F94-V101 VanDerWaalsContact CB-CG1 3.42Å; F94-V101 HydrophobicContact CD2-CG1 3.96Å; F94-V101 HydrophobicContact CG-CG1 3.73Å; F94-N105 HydrophobicContact CD1-CB 4.07Å; F94-N105 HydrophobicContact CE1-CB 3.4Å; F94-N105 VanDerWaalsContact CE1-CB 3.4Å; F94-N105 WeakPolarHBondContact CE1-OD1 3.32Å; F94-N105 HydrophobicContact CE2-CB 4.26Å; F94-N105 HydrophobicContact CZ-CB 3.53Å; F94-T108 HydrophobicContact CZ-CG2 4.09Å; F94-L109 HydrophobicContact CE2-CD1 4.02Å; F94-L109 HydrophobicContact CE2-CG 4.29Å; F94-P137 HydrophobicContact CD1-CG 4.12Å; F94-P137 HydrophobicContact CE1-CG 3.63Å
95D90.7Very high94.2Very high152 Ų15246.9 Ų46.981%0.81324%0.242SC*.SBendtrans65.7-23.1-178.1-61-51.1000116I91I91-D95 CarbonylContact O-C 3.47Å; I91-D95 WeakPolarHBondContact O-CA 3.41Å; I91-D95 PolarHBondContact O-N 3.34Å
96E93.6Very high94.1Very high105 Ų10546.8 Ų46.849%0.49125%0.246SC..SBendtrans-141.7165.4175.767.2172.2-144.900112F94 S98 V101F94-E96 PolarHBondContact O-N 3.22Å; E96-S98 WeakPolarHBondContact OE1-CB 3.46Å; E96-S98 PolarHBondContact OE1-OG 3.13Å; E96-V101 HydrophobicContact CG-CG2 3.7Å; E96-V101 WeakPolarHBondContact OE1-CG2 3.17Å
97C95Very high93.9Very high6 Ų651.8 Ų51.84%0.04128%0.276CS..  trans-117.798.7171-170.20000109.2D62 V87 V90 I91D62-C97 HydrophobicContact CB-CB 4.02Å; D62-C97 WeakPolarHBondContact CB-O 3.42Å; V87-C97 HydrophobicContact CG1-CB 4.18Å; V90-C97 HydrophobicContact CG1-CB 4.06Å; I91-C97 HydrophobicContact CD1-CB 4.41Å; I91-C97 HydrophobicContact CG1-CB 3.85Å
98S95.5Very high93.6Very high27 Ų2752.3 Ų52.319%0.18928%0.279CS..  trans-134.2159.5-17972.60000111.4E96 T100 V101 I102E96-S98 WeakPolarHBondContact OE1-CB 3.46Å; E96-S98 PolarHBondContact OE1-OG 3.13Å; S98-T100 PolarHBondContact O-N 3.28Å; S98-V101 PolarHBondContact O-N 3.25Å; S98-V101 WeakPolarHBondContact OG-CG2 2.92Å; S98-V101 PolarHBondContact OG-N 2.9Å; S98-I102 WeakPolarHBondContact O-CG1 3.03Å; S98-I102 PolarHBondContact O-N 2.88Å
99D94.1Very high93.6Very high40 Ų4049.4 Ų49.421%0.21426%0.264CS..Hα-helixtrans-53.5-43.7176.917924.2000111.5N9 T15 L64 I102 K103N9-D99 HydrophobicContact CB-CB 4.39Å; N9-D99 PolarHBondContact ND2-OD2 3.18Å; T15-D99 WeakPolarHBondContact CB-OD1 3.18Å; T15-D99 WeakPolarHBondContact CG2-OD1 3.36Å; L64-D99 HydrophobicContact CD2-CB 4.41Å; D99-I102 PolarHBondContact O-N 3.49Å; D99-K103 WeakPolarHBondContact O-CG 3.25Å; D99-K103 PolarHBondContact O-N 3Å; D99-K103 VanDerWaalsContact O-N 3.08Å; D99-K103 WeakPolarHBondContact OD1-CD 3.41Å; D99-K103 WeakPolarHBondContact OD1-CE 3.44Å; D99-K103 IonicContact OD1-NZ 2.73Å; D99-K103 PolarHBondContact OD1-NZ 2.82Å; D99-K103 IonicContact OD2-NZ 3.98Å; D99-K103 PolarHBondContact OD2-NZ 2.71Å
100T94.4Very high93.6Very high89 Ų8952.9 Ų52.955%0.54628%0.277SS..Hα-helixtrans-61.8-49.4177.4-440000111.6S98 I102 K103 D104S98-T100 PolarHBondContact O-N 3.28Å; T100-I102 VanDerWaalsContact C-N 3.3Å; T100-I102 PolarHBondContact O-N 2.7Å; T100-K103 PolarHBondContact O-N 3.33Å; T100-D104 WeakPolarHBondContact O-CB 3.31Å; T100-D104 PolarHBondContact O-N 2.82Å
101V94.3Very high93.5Very high19 Ų1955.1 Ų55.112%0.11529%0.287CS..Hα-helixtrans-61.2-39.9-179.61640000111.9F94 E96 S98 N105F94-V101 HydrophobicContact CB-CG1 3.42Å; F94-V101 VanDerWaalsContact CB-CG1 3.42Å; F94-V101 HydrophobicContact CD2-CG1 3.96Å; F94-V101 HydrophobicContact CG-CG1 3.73Å; E96-V101 HydrophobicContact CG-CG2 3.7Å; E96-V101 WeakPolarHBondContact OE1-CG2 3.17Å; S98-V101 PolarHBondContact O-N 3.25Å; S98-V101 WeakPolarHBondContact OG-CG2 2.92Å; S98-V101 PolarHBondContact OG-N 2.9Å; V101-N105 WeakPolarHBondContact O-CB 3.48Å; V101-N105 PolarHBondContact O-N 2.98Å; V101-N105 VanDerWaalsContact O-N 3.16Å; V101-N105 PolarHBondContact O-ND2 2.87Å
102I95Very high93.6Very high1 Ų152.9 Ų52.91%0.00528%0.276CS..Hα-helixtrans-63.8-48.1177.6-68.4177.2000110.6V7 L16 L64 F66 S98 D99 T100 D104 N105 L106 L109V7-I102 HydrophobicContact CG1-CD1 3.74Å; L16-I102 HydrophobicContact CB-CG2 3.9Å; L16-I102 HydrophobicContact CD1-CG2 4.12Å; L64-I102 HydrophobicContact CD1-CD1 3.58Å; F66-I102 HydrophobicContact CZ-CD1 4.41Å; S98-I102 WeakPolarHBondContact O-CG1 3.03Å; S98-I102 PolarHBondContact O-N 2.88Å; D99-I102 PolarHBondContact O-N 3.49Å; T100-I102 VanDerWaalsContact C-N 3.3Å; T100-I102 PolarHBondContact O-N 2.7Å; I102-D104 PolarHBondContact O-N 3.36Å; I102-N105 PolarHBondContact O-N 3.33Å; I102-L106 HydrophobicContact CG2-CD2 4.27Å; I102-L106 WeakPolarHBondContact O-CD2 3.5Å; I102-L106 WeakPolarHBondContact O-CG 3.48Å; I102-L106 PolarHBondContact O-N 3.34Å; I102-L109 HydrophobicContact CB-CD1 4.37Å; I102-L109 HydrophobicContact CG1-CD1 4.21Å; I102-L109 HydrophobicContact CG2-CD1 4.36Å
103K94.2Very high93.8Very high96 Ų9649.6 Ų49.642%0.41726%0.259SS..Hα-helixtrans-63.3-40.5179.8-75.4169.6175157.70112.7D99 T100 N105 L106D99-K103 WeakPolarHBondContact O-CG 3.25Å; D99-K103 PolarHBondContact O-N 3Å; D99-K103 VanDerWaalsContact O-N 3.08Å; D99-K103 WeakPolarHBondContact OD1-CD 3.41Å; D99-K103 WeakPolarHBondContact OD1-CE 3.44Å; D99-K103 IonicContact OD1-NZ 2.73Å; D99-K103 PolarHBondContact OD1-NZ 2.82Å; D99-K103 IonicContact OD2-NZ 3.98Å; D99-K103 PolarHBondContact OD2-NZ 2.71Å; T100-K103 PolarHBondContact O-N 3.33Å; K103-N105 VanDerWaalsContact C-N 3.3Å; K103-N105 PolarHBondContact O-N 2.96Å; K103-L106 WeakPolarHBondContact O-CG 3.4Å
104D92.9Very high93.9Very high122 Ų12252.9 Ų52.965%0.65228%0.277SS*.Hα-helixtrans-74.3-22.1-177.5-71.3-11.8000112.8T100 I102T100-D104 WeakPolarHBondContact O-CB 3.31Å; T100-D104 PolarHBondContact O-N 2.82Å; I102-D104 PolarHBondContact O-N 3.36Å
105N93.3Very high93.9Very high38 Ų3854.3 Ų54.320%0.20328%0.284CS..THydrogen-bonded Turntrans-119.822-173.6-61.6-82.2000114.2F94 V101 I102 K103 V107 T108 L109F94-N105 HydrophobicContact CD1-CB 4.07Å; F94-N105 HydrophobicContact CE1-CB 3.4Å; F94-N105 VanDerWaalsContact CE1-CB 3.4Å; F94-N105 WeakPolarHBondContact CE1-OD1 3.32Å; F94-N105 HydrophobicContact CE2-CB 4.26Å; F94-N105 HydrophobicContact CZ-CB 3.53Å; V101-N105 WeakPolarHBondContact O-CB 3.48Å; V101-N105 PolarHBondContact O-N 2.98Å; V101-N105 VanDerWaalsContact O-N 3.16Å; V101-N105 PolarHBondContact O-ND2 2.87Å; I102-N105 PolarHBondContact O-N 3.33Å; K103-N105 VanDerWaalsContact C-N 3.3Å; K103-N105 PolarHBondContact O-N 2.96Å; N105-V107 VanDerWaalsContact C-N 3.26Å; N105-V107 PolarHBondContact O-N 3.49Å; N105-V107 VanDerWaalsContact O-N 3.11Å; N105-T108 PolarHBondContact O-N 2.87Å; N105-L109 PolarHBondContact O-N 3.35Å
106L93.5Very high94.1Very high54 Ų5447.1 Ų47.128%0.28325%0.246SC..Hα-helixtrans-49-42.8-175.3-74.8174.1000113.8L16 I102 K103 L109 Y110L16-L106 HydrophobicContact CB-CD2 4.43Å; L16-L106 HydrophobicContact CD1-CD2 3.99Å; L16-L106 HydrophobicContact CG-CD2 4.49Å; I102-L106 HydrophobicContact CG2-CD2 4.27Å; I102-L106 WeakPolarHBondContact O-CD2 3.5Å; I102-L106 WeakPolarHBondContact O-CG 3.48Å; I102-L106 PolarHBondContact O-N 3.34Å; K103-L106 WeakPolarHBondContact O-CG 3.4Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-Y110 HydrophobicContact CB-CD2 4.33Å; L106-Y110 HydrophobicContact CB-CE2 4.2Å; L106-Y110 HydrophobicContact CD2-CE2 4.28Å; L106-Y110 WeakPolarHBondContact O-CD2 3.43Å; L106-Y110 PolarHBondContact O-N 2.99Å
107V92Very high94.2Very high107 Ų10742.2 Ų42.265%0.64822%0.223SC*.Hα-helixtrans-59.5-54.3-178.2179.10000111.1N105 L109 Y110 E111N105-V107 VanDerWaalsContact C-N 3.26Å; N105-V107 PolarHBondContact O-N 3.49Å; N105-V107 VanDerWaalsContact O-N 3.11Å; V107-L109 VanDerWaalsContact C-N 3.27Å; V107-L109 PolarHBondContact O-N 3.1Å; V107-Y110 PolarHBondContact O-N 2.88Å; V107-E111 WeakPolarHBondContact O-CG 3.49Å; V107-E111 PolarHBondContact O-N 3.34Å
108T92.2Very high93.9Very high12 Ų1246.9 Ų46.97%0.07425%0.247CC..Hα-helixtrans-63.1-37178.5-49.70000111.1Y93 F94 N105 E111 L112 I134Y93-T108 HydrophobicContact CD1-CG2 4.32Å; F94-T108 HydrophobicContact CZ-CG2 4.09Å; N105-T108 PolarHBondContact O-N 2.87Å; T108-E111 PolarHBondContact O-N 3.02Å; T108-L112 HydrophobicContact CG2-CD1 4.14Å; T108-L112 WeakPolarHBondContact O-CB 3.4Å; T108-L112 VanDerWaalsContact O-CG 3.25Å; T108-L112 WeakPolarHBondContact O-CG 3.25Å; T108-L112 PolarHBondContact O-N 3.23Å; T108-I134 HydrophobicContact CG2-CG2 4.1Å
109L94.8Very high93.6Very high5 Ų549.3 Ų49.33%0.02626%0.258CS..Hα-helixtrans-64.7-41.6177.3-114.3141.1000112.1L16 V90 F94 I102 N105 L106 V107 L112 L113L16-L109 HydrophobicContact CD1-CB 4.33Å; L16-L109 HydrophobicContact CD1-CD2 3.98Å; V90-L109 HydrophobicContact CG2-CD2 3.85Å; V90-L109 HydrophobicContact CG2-CG 4.35Å; F94-L109 HydrophobicContact CE2-CD1 4.02Å; F94-L109 HydrophobicContact CE2-CG 4.29Å; I102-L109 HydrophobicContact CB-CD1 4.37Å; I102-L109 HydrophobicContact CG1-CD1 4.21Å; I102-L109 HydrophobicContact CG2-CD1 4.36Å; N105-L109 PolarHBondContact O-N 3.35Å; L106-L109 PolarHBondContact O-N 3.16Å; V107-L109 VanDerWaalsContact C-N 3.27Å; V107-L109 PolarHBondContact O-N 3.1Å; L109-L112 PolarHBondContact O-N 2.82Å; L109-L113 HydrophobicContact CD2-CD1 4.39Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 VanDerWaalsContact O-CG 3.22Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 2.83Å
110Y95.1Very high93.2Very high77 Ų7747.4 Ų47.430%0.30225%0.248SC..Hα-helixtrans-64.4-43.5173.7-78.8-61.5000111.9E17 K18 L106 V107 L112 L113 D114E17-Y110 WeakPolarHBondContact O-CE1 3.35Å; E17-Y110 PolarHBondContact O-OH 3.32Å; K18-Y110 HydrophobicContact CB-CD1 4.45Å; K18-Y110 HydrophobicContact CB-CE1 4.07Å; K18-Y110 HydrophobicContact CD-CD1 3.86Å; K18-Y110 HydrophobicContact CD-CE1 4.03Å; K18-Y110 HydrophobicContact CG-CD1 4.45Å; K18-Y110 HydrophobicContact CG-CE1 4.49Å; L106-Y110 HydrophobicContact CB-CD2 4.33Å; L106-Y110 HydrophobicContact CB-CE2 4.2Å; L106-Y110 HydrophobicContact CD2-CE2 4.28Å; L106-Y110 WeakPolarHBondContact O-CD2 3.43Å; L106-Y110 PolarHBondContact O-N 2.99Å; V107-Y110 PolarHBondContact O-N 2.88Å; Y110-L112 VanDerWaalsContact C-N 3.31Å; Y110-L112 PolarHBondContact O-N 2.99Å; Y110-L113 PolarHBondContact O-N 3.27Å; Y110-D114 WeakPolarHBondContact O-CB 3.42Å; Y110-D114 PolarHBondContact O-N 3.15Å
111E93.5Very high93Very high49 Ų4949.3 Ų49.323%0.22925%0.246CC..Hα-helixtrans-56.6-46.1173.9-69.2175.2165.400111V107 T108 D114 E115 I134 V153V107-E111 WeakPolarHBondContact O-CG 3.49Å; V107-E111 PolarHBondContact O-N 3.34Å; T108-E111 PolarHBondContact O-N 3.02Å; E111-D114 PolarHBondContact O-N 3.29Å; E111-E115 PolarHBondContact O-N 3.36Å; E111-E115 VanDerWaalsContact O-N 3.1Å; E111-I134 VanDerWaalsContact C-CD1 3.44Å; E111-I134 HydrophobicContact CB-CD1 3.97Å; E111-I134 HydrophobicContact CB-CG1 4.47Å; E111-I134 HydrophobicContact CB-CG2 4.4Å; E111-I134 VanDerWaalsContact O-CD1 3.3Å; E111-I134 WeakPolarHBondContact O-CD1 3.28Å; E111-V153 HydrophobicContact CG-CG2 4.29Å
112L95.2Very high92.9Very high3 Ų350.9 Ų50.92%0.01626%0.257CS..Hα-helixtrans-63.6-45.7178.1-72.4166000111.9I89 Y93 T108 L109 Y110 D114 E115 M116 L130 I134I89-L112 HydrophobicContact CG2-CD1 4.12Å; I89-L112 HydrophobicContact CG2-CD2 4.16Å; Y93-L112 HydrophobicContact CD1-CD1 3.92Å; Y93-L112 HydrophobicContact CD2-CD1 4.28Å; Y93-L112 HydrophobicContact CE1-CD1 4.07Å; Y93-L112 HydrophobicContact CE1-CD2 3.89Å; Y93-L112 HydrophobicContact CE1-CG 4.44Å; Y93-L112 HydrophobicContact CE2-CD1 4.42Å; Y93-L112 HydrophobicContact CE2-CD2 3.93Å; Y93-L112 HydrophobicContact CG-CD1 4.02Å; T108-L112 HydrophobicContact CG2-CD1 4.14Å; T108-L112 WeakPolarHBondContact O-CB 3.4Å; T108-L112 VanDerWaalsContact O-CG 3.25Å; T108-L112 WeakPolarHBondContact O-CG 3.25Å; T108-L112 PolarHBondContact O-N 3.23Å; L109-L112 PolarHBondContact O-N 2.82Å; Y110-L112 VanDerWaalsContact C-N 3.31Å; Y110-L112 PolarHBondContact O-N 2.99Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 3Å; L112-E115 PolarHBondContact O-N 2.85Å; L112-M116 VanDerWaalsContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CB 3.41Å; L112-M116 WeakPolarHBondContact O-CG 3.41Å; L112-M116 PolarHBondContact O-N 3.11Å; L112-L130 HydrophobicContact CD2-CB 4.44Å; L112-L130 HydrophobicContact CD2-CD2 4.44Å; L112-I134 HydrophobicContact CD2-CB 4.11Å; L112-I134 HydrophobicContact CD2-CD1 3.84Å; L112-I134 HydrophobicContact CD2-CG2 4.19Å; L112-I134 HydrophobicContact CG-CD1 4.2Å; L112-I134 HydrophobicContact CG-CG2 4.33Å
113L96.1Very high92.6Very high2 Ų256.2 Ų56.21%0.0129%0.285CS..Hα-helixtrans-65.9-32.4179.9-73175.2000112.8L5 L16 K18 W20 V86 L109 Y110 L117L5-L113 HydrophobicContact CD2-CD1 4.22Å; L5-L113 HydrophobicContact CD2-CD2 3.81Å; L16-L113 HydrophobicContact CD1-CD1 4.15Å; L16-L113 HydrophobicContact CD2-CD1 3.9Å; K18-L113 HydrophobicContact CB-CD1 4.13Å; K18-L113 HydrophobicContact CG-CB 4.36Å; K18-L113 HydrophobicContact CG-CD1 4.3Å; W20-L113 HydrophobicContact CZ2-CB 4.03Å; W20-L113 HydrophobicContact CZ2-CD2 4.37Å; W20-L113 PolarHBondContact NE1-O 2.73Å; V86-L113 HydrophobicContact CG1-CD2 3.92Å; V86-L113 HydrophobicContact CG2-CD2 3.98Å; L109-L113 HydrophobicContact CD2-CD1 4.39Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 VanDerWaalsContact O-CG 3.22Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 2.83Å; Y110-L113 PolarHBondContact O-N 3.27Å; L113-L117 PolarHBondContact O-N 3.42Å
114D93.8Very high92.3Very high82 Ų8252.1 Ų52.144%0.43927%0.268SS..Hα-helixtrans-70.2-35.8173.7-83.6-36.3000112.2K18 Y110 E111 L112K18-D114 WeakPolarHBondContact CE-OD1 3.41Å; K18-D114 IonicContact NZ-OD1 2.62Å; K18-D114 PolarHBondContact NZ-OD1 3.28Å; K18-D114 IonicContact NZ-OD2 3.1Å; K18-D114 PolarHBondContact NZ-OD2 2.87Å; K18-D114 VanDerWaalsContact NZ-OD2 3.1Å; Y110-D114 WeakPolarHBondContact O-CB 3.42Å; Y110-D114 PolarHBondContact O-N 3.15Å; E111-D114 PolarHBondContact O-N 3.29Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 3Å
115E93.1Very high92.3Very high54 Ų5447.8 Ų47.825%0.25225%0.246SC..Hα-helixtrans-78.2-34.5176.2-174.455.9-141.300112.7E111 L112 T124 L130 L133 I134E111-E115 PolarHBondContact O-N 3.36Å; E111-E115 VanDerWaalsContact O-N 3.1Å; L112-E115 PolarHBondContact O-N 2.85Å; E115-T124 HydrophobicContact CG-CG2 4.4Å; E115-T124 PolarHBondContact O-N 3.26Å; E115-T124 WeakPolarHBondContact OE1-CB 3.35Å; E115-T124 PolarHBondContact OE1-OG1 3.38Å; E115-L130 HydrophobicContact CB-CD2 4.1Å; E115-L130 HydrophobicContact CG-CD2 3.65Å; E115-L133 HydrophobicContact CG-CD1 3.83Å; E115-L133 WeakPolarHBondContact OE1-CD1 3.36Å; E115-I134 HydrophobicContact CB-CD1 3.89Å; E115-I134 HydrophobicContact CG-CD1 4.44Å
116M95.5Very high92.2Very high2 Ų247.5 Ų47.51%0.0124%0.243CC..Hα-helixtrans-72.4-28.6-178.8-74.7-179.173.400113.3F82 R85 V86 I89 L112 P122 L123 T124 T125 L130F82-M116 HydrophobicContact CE2-CB 4.11Å; F82-M116 HydrophobicContact CE2-CE 4.33Å; R85-M116 HydrophobicContact CB-CE 4.49Å; R85-M116 HydrophobicContact CG-CE 4.12Å; V86-M116 HydrophobicContact CB-CE 4.44Å; V86-M116 HydrophobicContact CG2-CE 3.77Å; V86-M116 HydrophobicContact CG2-SD 4.32Å; I89-M116 HydrophobicContact CB-CE 4.45Å; I89-M116 HydrophobicContact CB-SD 4.16Å; I89-M116 HydrophobicContact CG1-CE 3.92Å; I89-M116 HydrophobicContact CG1-SD 4.04Å; I89-M116 HydrophobicContact CG2-SD 4.09Å; L112-M116 VanDerWaalsContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CB 3.41Å; L112-M116 WeakPolarHBondContact O-CG 3.41Å; L112-M116 PolarHBondContact O-N 3.11Å; M116-P122 WeakPolarHBondContact O-CA 3.48Å; M116-L123 PolarHBondContact O-N 2.97Å; M116-T124 WeakPolarHBondContact CA-O 3.4Å; M116-T124 WeakPolarHBondContact CG-O 3.35Å; M116-T125 HydrophobicContact CE-CG2 4.24Å; M116-L130 HydrophobicContact CG-CD1 3.81Å; M116-L130 HydrophobicContact CG-CD2 4.08Å; M116-L130 HydrophobicContact SD-CD1 4.17Å
117L94.3Very high92Very high1 Ų146.8 Ų46.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-139.6119.8-174.5-165.8106000111.1I2 W20 F82 L113 Y121 P122I2-L117 HydrophobicContact CB-CD1 4.37Å; I2-L117 HydrophobicContact CB-CD2 4.2Å; I2-L117 HydrophobicContact CD1-CD1 3.81Å; I2-L117 HydrophobicContact CG2-CD2 4.19Å; W20-L117 HydrophobicContact CB-CD2 4.33Å; W20-L117 HydrophobicContact CD2-CD2 3.22Å; W20-L117 HydrophobicContact CD2-CG 4.48Å; W20-L117 HydrophobicContact CE3-CD2 3.54Å; W20-L117 HydrophobicContact CG-CD2 3.59Å; W20-L117 HydrophobicContact CH2-CD2 3.97Å; W20-L117 HydrophobicContact CZ2-CB 3.97Å; W20-L117 HydrophobicContact CZ2-CD2 3.69Å; W20-L117 HydrophobicContact CZ2-CG 4.44Å; W20-L117 HydrophobicContact CZ3-CD2 3.89Å; W20-L117 PolarHBondContact NE1-O 3.5Å; W20-L117 VanDerWaalsContact NE1-O 3.12Å; F82-L117 HydrophobicContact CD1-CD1 4.28Å; F82-L117 HydrophobicContact CD2-CD1 4.19Å; F82-L117 HydrophobicContact CE1-CD1 3.84Å; F82-L117 HydrophobicContact CE2-CB 4.08Å; F82-L117 HydrophobicContact CE2-CD1 3.73Å; F82-L117 HydrophobicContact CG-CD1 4.44Å; F82-L117 HydrophobicContact CZ-CB 3.79Å; F82-L117 HydrophobicContact CZ-CD1 3.56Å; F82-L117 HydrophobicContact CZ-CG 4.22Å; L113-L117 PolarHBondContact O-N 3.42Å; L117-Y121 WeakPolarHBondContact CA-O 3.14Å; L117-P122 HydrophobicContact CD1-CG 3.98Å
118D89.8Confident91.7Very high104 Ų10442.2 Ų42.256%0.55621%0.214SC*.EExtended strand (participates in β ladder)trans-112.3126.4175.7-176.417.4000110.6G120 Y121 L123D118-G120 PolarHBondContact O-N 3.23Å; D118-Y121 PolarHBondContact N-O 3.24Å; D118-Y121 PolarHBondContact O-N 3.18Å; D118-L123 HydrophobicContact CB-CD2 4.32Å
119N87.6Confident91.5Very high79 Ų7942 Ų4242%0.42221%0.212SC..THydrogen-bonded Turntrans48.829.1178-163.227000114.8K21K21-N119 WeakPolarHBondContact CE-O 3.33Å; K21-N119 WeakPolarHBondContact CE-OD1 3.38Å; K21-N119 WeakPolarHBondContact CG-OD1 3.47Å
120G86.8Confident91.3Very high0 Ų041.7 Ų41.70%021%0.211CC..THydrogen-bonded Turntrans92.13.8-179.300000116.6M1 I2 D118M1-G120 WeakPolarHBondContact CE-O 3.19Å; I2-G120 PolarHBondContact N-O 3.38Å; I2-G120 VanDerWaalsContact N-O 3.14Å; I2-G120 WeakPolarHBondContact O-CA 3.33Å; D118-G120 PolarHBondContact O-N 3.23Å
121Y90.6Very high90.9Very high128 Ų12839.6 Ų39.650%0.50220%0.204SC..EExtended strand (participates in β ladder)trans-109128.4177.4-63.8-96.3000110.1M1 L117 D118 L123M1-Y121 HydrophobicContact CB-CE2 4.41Å; M1-Y121 HydrophobicContact CE-CD1 3.02Å; M1-Y121 HydrophobicContact CE-CD2 3.83Å; M1-Y121 HydrophobicContact CE-CE1 3.12Å; M1-Y121 HydrophobicContact CE-CE2 3.92Å; M1-Y121 HydrophobicContact CE-CG 3.38Å; M1-Y121 HydrophobicContact CG-CD2 4.33Å; M1-Y121 HydrophobicContact CG-CE1 3.94Å; M1-Y121 HydrophobicContact CG-CE2 3.62Å; M1-Y121 WeakPolarHBondContact CG-OH 3.27Å; M1-Y121 HydrophobicContact SD-CD1 3.94Å; M1-Y121 HydrophobicContact SD-CE1 3.33Å; M1-Y121 WeakPolarHBondContact SD-CE1 3.5Å; M1-Y121 HydrophobicContact SD-CE2 4.16Å; L117-Y121 WeakPolarHBondContact CA-O 3.14Å; D118-Y121 PolarHBondContact N-O 3.24Å; D118-Y121 PolarHBondContact O-N 3.18Å; Y121-L123 PolarHBondContact O-N 2.96Å
122P92.5Very high90.5Very high52 Ų5239.3 Ų39.334%0.33820%0.203SC..EExtended strand (participates in β ladder)trans-57.8129.4169-24.234.6000110.9F82 M116 L117 T125F82-P122 HydrophobicContact CB-CG 4.14Å; F82-P122 HydrophobicContact CD2-CB 3.86Å; F82-P122 HydrophobicContact CD2-CG 3.79Å; F82-P122 HydrophobicContact CE2-CB 4.4Å; F82-P122 HydrophobicContact CG-CG 4.07Å; M116-P122 WeakPolarHBondContact O-CA 3.48Å; L117-P122 HydrophobicContact CD1-CG 3.98Å; P122-T125 HydrophobicContact CB-CG2 4.33Å
123L88.3Confident90.1Very high113 Ų11339.5 Ų39.559%0.59220%0.204SC*.  trans-120.1-83.8-177.4-174.373.3000111M116 D118 Y121 T125M116-L123 PolarHBondContact O-N 2.97Å; D118-L123 HydrophobicContact CB-CD2 4.32Å; Y121-L123 PolarHBondContact O-N 2.96Å; L123-T125 PolarHBondContact O-N 3.24Å
124T88.7Confident89.7Confident11 Ų1139.7 Ų39.77%0.06721%0.205CC..  trans-9792.1-177-540000110.4E115 M116 V129 L130 L133 Q161E115-T124 HydrophobicContact CG-CG2 4.4Å; E115-T124 PolarHBondContact O-N 3.26Å; E115-T124 WeakPolarHBondContact OE1-CB 3.35Å; E115-T124 PolarHBondContact OE1-OG1 3.38Å; M116-T124 WeakPolarHBondContact CA-O 3.4Å; M116-T124 WeakPolarHBondContact CG-O 3.35Å; T124-V129 HydrophobicContact CG2-CB 3.96Å; T124-V129 HydrophobicContact CG2-CG1 3.53Å; T124-L130 HydrophobicContact CG2-CD2 3.99Å; T124-L130 HydrophobicContact CG2-CG 4.2Å; T124-L130 WeakPolarHBondContact O-CD2 3.47Å; T124-L133 HydrophobicContact CG2-CD1 4.21Å; T124-Q161 PolarHBondContact OG1-NE2 3.29Å
125T91.5Very high89.3Confident31 Ų3140.7 Ų40.719%0.1921%0.205CC..  trans-110.59.3179.862.10000114.3F82 R85 M116 P122 L123 P127F82-T125 HydrophobicContact CD2-CG2 4.35Å; R85-T125 HydrophobicContact CG-CG2 4.48Å; R85-T125 PolarHBondContact NH1-O 2.8Å; M116-T125 HydrophobicContact CE-CG2 4.24Å; P122-T125 HydrophobicContact CB-CG2 4.33Å; L123-T125 PolarHBondContact O-N 3.24Å; T125-P127 WeakPolarHBondContact O-CD 3.25Å
126E90.6Very high88.8Confident31 Ų3140.1 Ų40.115%0.14521%0.206CC..  trans-84.8119.2-179.5-74.2-58.7137.100111.1R85 N128 V129 L130 P166 W167R85-E126 IonicContact NH1-OE1 2.72Å; E126-N128 VanDerWaalsContact C-N 3.31Å; E126-N128 PolarHBondContact O-N 3.35Å; E126-V129 HydrophobicContact CB-CB 4.19Å; E126-V129 HydrophobicContact CB-CG2 3.76Å; E126-V129 PolarHBondContact O-N 3.42Å; E126-V129 VanDerWaalsContact O-N 3.08Å; E126-L130 PolarHBondContact O-N 3.31Å; E126-P166 HydrophobicContact CG-CB 4.24Å; E126-P166 HydrophobicContact CG-CG 4.45Å; E126-W167 WeakPolarHBondContact OE2-CB 3.2Å
127P89.8Confident87.9Confident39 Ų3941.4 Ų41.425%0.25321%0.214SC..Hα-helixtrans-47.1-48.5-177.4-3639.9000115I89 L92 T125 V129 L130 Q131I89-P127 HydrophobicContact CD1-CB 4.21Å; I89-P127 HydrophobicContact CD1-CG 3.95Å; L92-P127 HydrophobicContact CD2-CB 3.56Å; L92-P127 HydrophobicContact CD2-CG 4.35Å; T125-P127 WeakPolarHBondContact O-CD 3.25Å; P127-V129 VanDerWaalsContact C-N 3.34Å; P127-V129 PolarHBondContact O-N 2.94Å; P127-L130 PolarHBondContact O-N 3.46Å; P127-Q131 WeakPolarHBondContact O-CG 3.17Å; P127-Q131 PolarHBondContact O-N 3.45Å
128N87Confident86.8Confident12 Ų1244 Ų446%0.06423%0.232CC..Hα-helixtrans-70.8-30.9-174.6-83.2-24.3000112.8E126 E132 W167 R169 D254E126-N128 VanDerWaalsContact C-N 3.31Å; E126-N128 PolarHBondContact O-N 3.35Å; N128-E132 PolarHBondContact O-N 2.74Å; N128-W167 WeakPolarHBondContact CB-O 3.24Å; N128-W167 PolarHBondContact ND2-O 2.99Å; N128-R169 HydrophobicContact CB-CG 3.88Å; N128-D254 PolarHBondContact ND2-N 2.66Å; N128-D254 PolarHBondContact ND2-O 2.89Å
129V87.8Confident85.4Confident6 Ų647.2 Ų47.24%0.03624%0.242CC..Hα-helixtrans-71.9-47.3174.2-176.10000109.7T124 E126 P127 Q131 E132 L133 P158 Q161 P166T124-V129 HydrophobicContact CG2-CB 3.96Å; T124-V129 HydrophobicContact CG2-CG1 3.53Å; E126-V129 HydrophobicContact CB-CB 4.19Å; E126-V129 HydrophobicContact CB-CG2 3.76Å; E126-V129 PolarHBondContact O-N 3.42Å; E126-V129 VanDerWaalsContact O-N 3.08Å; P127-V129 VanDerWaalsContact C-N 3.34Å; P127-V129 PolarHBondContact O-N 2.94Å; V129-Q131 VanDerWaalsContact C-N 3.3Å; V129-Q131 PolarHBondContact O-N 2.79Å; V129-E132 PolarHBondContact O-N 2.93Å; V129-E132 VanDerWaalsContact O-N 3.08Å; V129-L133 HydrophobicContact CG1-CD1 3.89Å; V129-L133 PolarHBondContact O-N 2.88Å; V129-P158 HydrophobicContact CG1-CB 4.27Å; V129-P158 HydrophobicContact CG1-CG 4.06Å; V129-Q161 HydrophobicContact CG1-CG 3.52Å; V129-P166 WeakPolarHBondContact CG2-O 3.43Å
130L89.5Confident84Confident0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-58.1-44178-72.2170.7000111I89 Y93 L112 E115 M116 T124 E126 P127 E132 L133 I134I89-L130 HydrophobicContact CD1-CD1 3.58Å; I89-L130 HydrophobicContact CG1-CD1 3.82Å; I89-L130 HydrophobicContact CG2-CD1 4.22Å; Y93-L130 PolarHBondContact OH-O 2.93Å; L112-L130 HydrophobicContact CD2-CB 4.44Å; L112-L130 HydrophobicContact CD2-CD2 4.44Å; E115-L130 HydrophobicContact CB-CD2 4.1Å; E115-L130 HydrophobicContact CG-CD2 3.65Å; M116-L130 HydrophobicContact CG-CD1 3.81Å; M116-L130 HydrophobicContact CG-CD2 4.08Å; M116-L130 HydrophobicContact SD-CD1 4.17Å; T124-L130 HydrophobicContact CG2-CD2 3.99Å; T124-L130 HydrophobicContact CG2-CG 4.2Å; T124-L130 WeakPolarHBondContact O-CD2 3.47Å; E126-L130 PolarHBondContact O-N 3.31Å; P127-L130 PolarHBondContact O-N 3.46Å; L130-E132 VanDerWaalsContact C-N 3.25Å; L130-E132 PolarHBondContact O-N 3.13Å; L130-L133 PolarHBondContact O-N 2.61Å; L130-I134 CarbonylContact O-C 3.53Å; L130-I134 WeakPolarHBondContact O-CA 3.35Å; L130-I134 PolarHBondContact O-N 2.92Å; L130-I134 VanDerWaalsContact O-O 3.05Å
131Q87.8Confident82.9Confident33 Ų3354 Ų5415%0.15427%0.267CS..Hα-helixtrans-67.1-21.6178.3-72.3-173.2-18.800114.5L92 Y93 P127 V129 P136L92-Q131 HydrophobicContact CD2-CG 4.43Å; Y93-Q131 HydrophobicContact CE2-CG 3.84Å; Y93-Q131 VanDerWaalsContact OH-CA 3.22Å; Y93-Q131 WeakPolarHBondContact OH-CA 3.32Å; Y93-Q131 PolarHBondContact OH-N 3.28Å; Y93-Q131 VanDerWaalsContact OH-N 3.13Å; P127-Q131 WeakPolarHBondContact O-CG 3.17Å; P127-Q131 PolarHBondContact O-N 3.45Å; V129-Q131 VanDerWaalsContact C-N 3.3Å; V129-Q131 PolarHBondContact O-N 2.79Å; Q131-P136 HydrophobicContact CB-CG 4.39Å; Q131-P136 HydrophobicContact CG-CG 3.86Å
132E83.7Confident81.6Confident43 Ų4351.3 Ų51.320%0.20126%0.261CS..Hα-helixtrans-79.8-43170.6-75.2-171.9173.900111.8N128 V129 L130 S154 P158 R169N128-E132 PolarHBondContact O-N 2.74Å; V129-E132 PolarHBondContact O-N 2.93Å; V129-E132 VanDerWaalsContact O-N 3.08Å; L130-E132 VanDerWaalsContact C-N 3.25Å; L130-E132 PolarHBondContact O-N 3.13Å; E132-S154 VanDerWaalsContact O-CB 3.31Å; E132-S154 WeakPolarHBondContact O-CB 3.45Å; E132-P158 HydrophobicContact CB-CB 4.47Å; E132-P158 HydrophobicContact CB-CG 3.73Å; E132-P158 WeakPolarHBondContact OE2-CB 3.4Å; E132-R169 VanDerWaalsContact CG-CD 3.49Å; E132-R169 HydrophobicContact CG-CG 3.89Å; E132-R169 WeakPolarHBondContact OE1-CA 3.37Å; E132-R169 WeakPolarHBondContact OE1-CB 3.35Å; E132-R169 VanDerWaalsContact OE1-CD 3.24Å; E132-R169 WeakPolarHBondContact OE1-CD 3.39Å; E132-R169 WeakPolarHBondContact OE1-CG 3.24Å
133L86.9Confident80.1Confident7 Ų753.5 Ų53.54%0.03727%0.27CS..Hα-helixtrans-69.5-50.7179.4-75.2167.8000112.2E115 T124 V129 L130 V153 S154 L157 P158E115-L133 HydrophobicContact CG-CD1 3.83Å; E115-L133 WeakPolarHBondContact OE1-CD1 3.36Å; T124-L133 HydrophobicContact CG2-CD1 4.21Å; V129-L133 HydrophobicContact CG1-CD1 3.89Å; V129-L133 PolarHBondContact O-N 2.88Å; L130-L133 PolarHBondContact O-N 2.61Å; L133-V153 CarbonylContact O-C 3.56Å; L133-V153 WeakPolarHBondContact O-CA 3.46Å; L133-S154 WeakPolarHBondContact O-CB 3.31Å; L133-S154 PolarHBondContact O-N 3.05Å; L133-L157 HydrophobicContact CD2-CD2 3.97Å; L133-P158 HydrophobicContact CD1-CG 4.37Å; L133-P158 HydrophobicContact CD2-CG 3.94Å; L133-P158 HydrophobicContact CG-CG 3.68Å
134I88.8Confident79Confident6 Ų650.5 Ų50.53%0.03126%0.258CS..BIsolated β-bridgetrans-122.498.1-177.3-58.6162.7000105.7Y93 T108 E111 L112 E115 L130Y93-I134 HydrophobicContact CE1-CG2 4.34Å; Y93-I134 WeakPolarHBondContact CE1-O 3.48Å; Y93-I134 VanDerWaalsContact CZ-O 3.29Å; Y93-I134 PolarHBondContact OH-O 3.15Å; T108-I134 HydrophobicContact CG2-CG2 4.1Å; E111-I134 VanDerWaalsContact C-CD1 3.44Å; E111-I134 HydrophobicContact CB-CD1 3.97Å; E111-I134 HydrophobicContact CB-CG1 4.47Å; E111-I134 HydrophobicContact CB-CG2 4.4Å; E111-I134 VanDerWaalsContact O-CD1 3.3Å; E111-I134 WeakPolarHBondContact O-CD1 3.28Å; L112-I134 HydrophobicContact CD2-CB 4.11Å; L112-I134 HydrophobicContact CD2-CD1 3.84Å; L112-I134 HydrophobicContact CD2-CG2 4.19Å; L112-I134 HydrophobicContact CG-CD1 4.2Å; L112-I134 HydrophobicContact CG-CG2 4.33Å; E115-I134 HydrophobicContact CB-CD1 3.89Å; E115-I134 HydrophobicContact CG-CD1 4.44Å; L130-I134 CarbonylContact O-C 3.53Å; L130-I134 WeakPolarHBondContact O-CA 3.35Å; L130-I134 PolarHBondContact O-N 2.92Å; L130-I134 VanDerWaalsContact O-O 3.05Å
135K84.9Confident77.9Confident103 Ų10351.1 Ų51.145%0.44826%0.261SS..PPolyproline II helixtrans-66.4146.5-173.4-60.2179.8179.3173.30109.5R141 N152K135-R141 VanDerWaalsContact CB-CZ 3.48Å; K135-R141 PolarHBondContact O-NH2 3.41Å; K135-N152 PolarHBondContact N-O 2.89Å
136P83.2Confident76.8Confident41 Ų4155.6 Ų55.627%0.26629%0.288SS..PPolyproline II helixtrans-68.2135.1177.9-2333.6000112.5Y93 Q131 S138 R141Y93-P136 HydrophobicContact CD1-CB 3.97Å; Y93-P136 HydrophobicContact CD1-CG 4.2Å; Y93-P136 HydrophobicContact CE1-CB 4.18Å; Y93-P136 HydrophobicContact CE1-CG 3.99Å; Q131-P136 HydrophobicContact CB-CG 4.39Å; Q131-P136 HydrophobicContact CG-CG 3.86Å; P136-S138 PolarHBondContact O-N 3.44Å; P136-R141 PolarHBondContact O-NH1 3.39Å; P136-R141 PolarHBondContact O-NH2 3.19Å
137P75.5Confident75.9Confident30 Ų3060 Ų6020%0.19532%0.317CS..PPolyproline II helixtrans-57.6133.1-177.319.6-26.1000111F94 R141 N142F94-P137 HydrophobicContact CD1-CG 4.12Å; F94-P137 HydrophobicContact CE1-CG 3.63Å; P137-R141 VanDerWaalsContact CA-NH2 3.35Å; P137-N142 WeakPolarHBondContact CB-OD1 3.41Å
138S71.8Confident75.1Confident55 Ų5561.9 Ų61.939%0.38533%0.328SS..  trans-129.1150173.568.60000108.9P136 F140 R141 N142P136-S138 PolarHBondContact O-N 3.44Å; S138-F140 PolarHBondContact O-N 3.18Å; S138-F140 VanDerWaalsContact O-N 3.14Å; S138-R141 WeakPolarHBondContact O-CA 3.32Å; S138-R141 PolarHBondContact O-N 2.79Å; S138-R141 WeakPolarHBondContact OG-CB 3.33Å; S138-N142 PolarHBondContact O-N 3.29Å
139F59.4Low74.3Confident171 Ų17164.8 Ų64.875%0.7536%0.36SS*.Hα-helixtrans-51.7-44.3-172.7-151-89.5000112.5L143F139-L143 HydrophobicContact CD1-CD1 4.12Å; F139-L143 HydrophobicContact CE1-CD1 4.23Å; F139-L143 PolarHBondContact O-N 2.89Å
140F59.9Low73.4Confident178 Ų17871.6 Ų71.678%0.78139%0.39SS*.Hα-helixtrans-67.7-35.2176.3-68.1-76.3000113.4S138 S144S138-F140 PolarHBondContact O-N 3.18Å; S138-F140 VanDerWaalsContact O-N 3.14Å; F140-S144 PolarHBondContact O-N 2.93Å
141R63.4Low72.4Confident43 Ų4375.1 Ų75.116%0.16241%0.414CS..Hα-helixtrans-77.9-35-178.5-158.1177.475-134.6-3.8112.6K135 P136 P137 S138 L143 S144 N145 N152K135-R141 VanDerWaalsContact CB-CZ 3.48Å; K135-R141 PolarHBondContact O-NH2 3.41Å; P136-R141 PolarHBondContact O-NH1 3.39Å; P136-R141 PolarHBondContact O-NH2 3.19Å; P137-R141 VanDerWaalsContact CA-NH2 3.35Å; S138-R141 WeakPolarHBondContact O-CA 3.32Å; S138-R141 PolarHBondContact O-N 2.79Å; S138-R141 WeakPolarHBondContact OG-CB 3.33Å; R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 3.32Å; R141-S144 WeakPolarHBondContact CA-OG 3.22Å; R141-S144 PolarHBondContact O-N 3.03Å; R141-S144 PolarHBondContact O-OG 3.39Å; R141-N145 WeakPolarHBondContact O-CB 3.37Å; R141-N145 VanDerWaalsContact O-CG 3.23Å; R141-N145 PolarHBondContact O-N 2.88Å; R141-N145 PolarHBondContact O-OD1 2.99Å; R141-N152 PolarHBondContact NE-OD1 2.86Å; R141-N152 PolarHBondContact NH2-ND2 3.23Å; R141-N152 PolarHBondContact NH2-OD1 2.88Å
142N62.5Low71.7Confident72 Ų7274.3 Ų74.339%0.38541%0.411SS..Hα-helixtrans-60.1-43.8172.6-68.9-2.2000110.1P137 S138 N145 T146P137-N142 WeakPolarHBondContact CB-OD1 3.41Å; S138-N142 PolarHBondContact O-N 3.29Å; N142-N145 PolarHBondContact O-N 2.82Å; N142-T146 PolarHBondContact O-N 3.05Å; N142-T146 VanDerWaalsContact O-N 3.15Å; N142-T146 PolarHBondContact O-OG1 3.17Å
143L60.8Low71.3Confident99 Ų9975.3 Ų75.352%0.51842%0.419SS..Hα-helixtrans-63.4-44.3172.8-76.8164.7000112.5F139 R141 N145 T146 V147F139-L143 HydrophobicContact CD1-CD1 4.12Å; F139-L143 HydrophobicContact CE1-CD1 4.23Å; F139-L143 PolarHBondContact O-N 2.89Å; R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 3.32Å; L143-N145 VanDerWaalsContact C-N 3.33Å; L143-N145 PolarHBondContact O-N 2.78Å; L143-T146 PolarHBondContact O-N 3.13Å; L143-V147 WeakPolarHBondContact O-CG2 3.5Å; L143-V147 PolarHBondContact O-N 2.85Å; L143-V147 VanDerWaalsContact O-N 3.14Å
144S65.7Low70.6Confident49 Ų4976.5 Ų76.534%0.34343%0.428SS..Hα-helixtrans-63.2-4017971.80000112.3F140 R141 V147 T148F140-S144 PolarHBondContact O-N 2.93Å; R141-S144 WeakPolarHBondContact CA-OG 3.22Å; R141-S144 PolarHBondContact O-N 3.03Å; R141-S144 PolarHBondContact O-OG 3.39Å; S144-V147 PolarHBondContact O-N 2.97Å; S144-T148 VanDerWaalsContact O-CB 3.3Å; S144-T148 WeakPolarHBondContact O-CB 3.49Å; S144-T148 WeakPolarHBondContact O-CG2 3.25Å; S144-T148 PolarHBondContact O-N 2.81Å; S144-T148 PolarHBondContact O-OG1 2.82Å
145N65.5Low69.8Low25 Ų2585.8 Ų85.813%0.13447%0.472CS..Hα-helixtrans-67.5-42.9-178.8-73.58.6000111.3R141 N142 L143 V147 T148 G149 K150 N152R141-N145 WeakPolarHBondContact O-CB 3.37Å; R141-N145 VanDerWaalsContact O-CG 3.23Å; R141-N145 PolarHBondContact O-N 2.88Å; R141-N145 PolarHBondContact O-OD1 2.99Å; N142-N145 PolarHBondContact O-N 2.82Å; L143-N145 VanDerWaalsContact C-N 3.33Å; L143-N145 PolarHBondContact O-N 2.78Å; N145-V147 VanDerWaalsContact C-N 3.27Å; N145-V147 PolarHBondContact O-N 3.16Å; N145-T148 PolarHBondContact O-N 3.01Å; N145-G149 WeakPolarHBondContact O-CA 3.17Å; N145-G149 PolarHBondContact O-N 3.47Å; N145-K150 WeakPolarHBondContact CB-O 3.45Å; N145-K150 PolarHBondContact ND2-O 2.66Å; N145-N152 PolarHBondContact ND2-OD1 2.81Å
146T68.6Low69.2Low125 Ų12587.3 Ų87.377%0.76748%0.484SS*.Hα-helixtrans-60.4-37.6175.2-570000112.1N142 L143N142-T146 PolarHBondContact O-N 3.05Å; N142-T146 VanDerWaalsContact O-N 3.15Å; N142-T146 PolarHBondContact O-OG1 3.17Å; L143-T146 PolarHBondContact O-N 3.13Å
147V71.2Confident68.5Low123 Ų12391.5 Ų91.575%0.74550%0.503SS*.Hα-helixtrans-82.8-35.8-178.4175.60000112.7L143 S144 N145L143-V147 WeakPolarHBondContact O-CG2 3.5Å; L143-V147 PolarHBondContact O-N 2.85Å; L143-V147 VanDerWaalsContact O-N 3.14Å; S144-V147 PolarHBondContact O-N 2.97Å; N145-V147 VanDerWaalsContact C-N 3.27Å; N145-V147 PolarHBondContact O-N 3.16Å
148T73.1Confident68.1Low79 Ų7990.5 Ų90.549%0.48550%0.496SS..Hα-helixtrans-100.4-8.3-17363.50000114.2S144 N145 K150S144-T148 VanDerWaalsContact O-CB 3.3Å; S144-T148 WeakPolarHBondContact O-CB 3.49Å; S144-T148 WeakPolarHBondContact O-CG2 3.25Å; S144-T148 PolarHBondContact O-N 2.81Å; S144-T148 PolarHBondContact O-OG1 2.82Å; N145-T148 PolarHBondContact O-N 3.01Å; T148-K150 PolarHBondContact O-N 3.04Å; T148-K150 WeakPolarHBondContact OG1-CG 3.37Å
149G69.3Low67.9Low72 Ų7292.9 Ų92.974%0.74251%0.508SS*.  trans68.213.5-17500000114.2N145N145-G149 WeakPolarHBondContact O-CA 3.17Å; N145-G149 PolarHBondContact O-N 3.47Å
150K69Low67.9Low150 Ų15085.1 Ų85.165%0.65248%0.476SS*.  trans-81.7150178.6-67.9-175.8175.6-172.10111.4N145 T148N145-K150 WeakPolarHBondContact CB-O 3.45Å; N145-K150 PolarHBondContact ND2-O 2.66Å; T148-K150 PolarHBondContact O-N 3.04Å; T148-K150 WeakPolarHBondContact OG1-CG 3.37Å
151S69.2Low67.9Low73 Ų7380 Ų8051%0.5146%0.455SS..  trans-92.2168.3175.163.20000111.9
152N73.7Confident68Low16 Ų1686 Ų869%0.08649%0.489CS..SBendtrans-77.7-11.6172.1-73.1-31.3000113.2K135 R141 N145K135-N152 PolarHBondContact N-O 2.89Å; R141-N152 PolarHBondContact NE-OD1 2.86Å; R141-N152 PolarHBondContact NH2-ND2 3.23Å; R141-N152 PolarHBondContact NH2-OD1 2.88Å; N145-N152 PolarHBondContact ND2-OD1 2.81Å
153V74.4Confident68.4Low64 Ų6484.7 Ų84.739%0.38849%0.486SS..BIsolated β-bridgetrans-76.7129-179.2-173.60000109.7E111 L133E111-V153 HydrophobicContact CG-CG2 4.29Å; L133-V153 CarbonylContact O-C 3.56Å; L133-V153 WeakPolarHBondContact O-CA 3.46Å
154S73.4Confident69.3Low32 Ų3287.4 Ų87.422%0.22450%0.501CS..  trans-73.8135.2176.2179.50000110.6E132 L133 I156E132-S154 VanDerWaalsContact O-CB 3.31Å; E132-S154 WeakPolarHBondContact O-CB 3.45Å; L133-S154 WeakPolarHBondContact O-CB 3.31Å; L133-S154 PolarHBondContact O-N 3.05Å; S154-I156 PolarHBondContact O-N 3.06Å; S154-I156 PolarHBondContact OG-N 2.64Å; S154-I156 VanDerWaalsContact OG-N 3.13Å; S154-I156 PolarHBondContact OG-O 3.27Å
155E71.7Confident70.2Confident202 Ų20287.1 Ų87.194%0.94450%0.495SS*.SBendtrans-74.8-11.9170.2-65.3179.2-179.800112.6
156I72Confident71.2Confident135 Ų13587.9 Ų87.969%0.69250%0.501SS*.SBendtrans-110.1121.6-177.7-55.8173.2000108.7S154S154-I156 PolarHBondContact O-N 3.06Å; S154-I156 PolarHBondContact OG-N 2.64Å; S154-I156 VanDerWaalsContact OG-N 3.13Å; S154-I156 PolarHBondContact OG-O 3.27Å
157L68.9Low72.3Confident129 Ų12983.4 Ų83.468%0.67547%0.47SS*.  trans-68.2135.4173.9-68.3172.2000110.8L133 V159L133-L157 HydrophobicContact CD2-CD2 3.97Å; L157-V159 PolarHBondContact O-N 2.8Å
158P67.4Low73.2Confident8 Ų877.8 Ų77.85%0.05244%0.436CS..  trans-54.5126.4171.7-31.138.7000112.2V129 E132 L133 G160 Q161V129-P158 HydrophobicContact CG1-CB 4.27Å; V129-P158 HydrophobicContact CG1-CG 4.06Å; E132-P158 HydrophobicContact CB-CB 4.47Å; E132-P158 HydrophobicContact CB-CG 3.73Å; E132-P158 WeakPolarHBondContact OE2-CB 3.4Å; L133-P158 HydrophobicContact CD1-CG 4.37Å; L133-P158 HydrophobicContact CD2-CG 3.94Å; L133-P158 HydrophobicContact CG-CG 3.68Å; P158-G160 PolarHBondContact O-N 2.85Å; P158-G160 VanDerWaalsContact O-N 3.08Å; P158-Q161 PolarHBondContact O-N 3.48Å
159V66.2Low73.6Confident106 Ų10677.2 Ų77.264%0.64243%0.425SS*.G310 helixtrans-59.6-23.9172-1480000111.2L157 Q161L157-V159 PolarHBondContact O-N 2.8Å; V159-Q161 PolarHBondContact O-N 2.98Å
160G59.7Low74Confident7 Ų776.7 Ų76.77%0.07241%0.41CS..G310 helixtrans-64.6-29.7178.300000114.8P158 L162 S163P158-G160 PolarHBondContact O-N 2.85Å; P158-G160 VanDerWaalsContact O-N 3.08Å; G160-L162 PolarHBondContact O-N 2.8Å; G160-S163 WeakPolarHBondContact O-CB 3.43Å; G160-S163 PolarHBondContact O-N 2.9Å; G160-S163 PolarHBondContact O-OG 3.12Å
161Q60.9Low74.6Confident71 Ų7172.5 Ų72.533%0.33241%0.409SS..G310 helixtrans-63.4-28.2-178.4-89.1-170.5-4500113.1T124 V129 P158 V159T124-Q161 PolarHBondContact OG1-NE2 3.29Å; V129-Q161 HydrophobicContact CG1-CG 3.52Å; P158-Q161 PolarHBondContact O-N 3.48Å; V159-Q161 PolarHBondContact O-N 2.98Å
162L64.6Low75.6Confident169 Ų16969.8 Ų69.889%0.88539%0.389SS*.G310 helixtrans-96.21.5176.9-62.6174.3000112.7G160G160-L162 PolarHBondContact O-N 2.8Å
163S71.9Confident76.5Confident44 Ų4479.8 Ų79.831%0.30843%0.426SS..SBendtrans-95.6157.4-177.184.40000111.5G160 I165G160-S163 WeakPolarHBondContact O-CB 3.43Å; G160-S163 PolarHBondContact O-N 2.9Å; G160-S163 PolarHBondContact O-OG 3.12Å; S163-I165 PolarHBondContact O-N 3.24Å; S163-I165 VanDerWaalsContact O-N 3.09Å; S163-I165 VanDerWaalsContact OG-C 3.29Å; S163-I165 PolarHBondContact OG-N 3.44Å; S163-I165 VanDerWaalsContact OG-N 3.09Å; S163-I165 PolarHBondContact OG-O 3.08Å
164N78.3Confident77.4Confident157 Ų15780 Ų8084%0.8442%0.42SS*.SBendtrans-73.79.1170.2-62.6-11.9000112.9P166N164-P166 VanDerWaalsContact C-CD 3.49Å
165I86.1Confident78.4Confident43 Ų4386.5 Ų86.522%0.22145%0.452CS..  trans-133.861.8-177.4-48.5178.3000108.8S163 W167 R168 M215 V251S163-I165 PolarHBondContact O-N 3.24Å; S163-I165 VanDerWaalsContact O-N 3.09Å; S163-I165 VanDerWaalsContact OG-C 3.29Å; S163-I165 PolarHBondContact OG-N 3.44Å; S163-I165 VanDerWaalsContact OG-N 3.09Å; S163-I165 PolarHBondContact OG-O 3.08Å; I165-W167 HydrophobicContact CB-CZ2 4.26Å; I165-W167 HydrophobicContact CG1-CZ2 4.47Å; I165-W167 HydrophobicContact CG2-CD2 4.33Å; I165-W167 HydrophobicContact CG2-CZ2 3.74Å; I165-W167 VanDerWaalsContact CG2-NE1 3.31Å; I165-W167 PolarHBondContact O-N 3.17Å; I165-R168 HydrophobicContact CG2-CB 3.95Å; I165-R168 PolarHBondContact O-N 3.38Å; I165-M215 HydrophobicContact CB-CE 4.32Å; I165-M215 HydrophobicContact CD1-CE 3.9Å; I165-M215 HydrophobicContact CG2-CE 4.05Å; I165-V251 HydrophobicContact CD1-CB 4.26Å; I165-V251 HydrophobicContact CD1-CG1 4.32Å; I165-V251 HydrophobicContact CD1-CG2 4.06Å; I165-V251 HydrophobicContact CG2-CB 4.12Å; I165-V251 HydrophobicContact CG2-CG1 3.84Å
166P86.7Confident79.6Confident40 Ų4082.3 Ų82.326%0.2644%0.436SS..THydrogen-bonded Turntrans-64.8-26.4-173.627.9-36.6000112.5E126 V129 N164 R168E126-P166 HydrophobicContact CG-CB 4.24Å; E126-P166 HydrophobicContact CG-CG 4.45Å; V129-P166 WeakPolarHBondContact CG2-O 3.43Å; N164-P166 VanDerWaalsContact C-CD 3.49Å; P166-R168 VanDerWaalsContact C-N 3.28Å; P166-R168 PolarHBondContact O-N 3.45Å
167W90.1Very high80.8Confident32 Ų3277.2 Ų77.212%0.12141%0.411CS..THydrogen-bonded Turntrans-76.2-3.4-17756.175000115E126 N128 I165 P235 C236 V251 P253E126-W167 WeakPolarHBondContact OE2-CB 3.2Å; N128-W167 WeakPolarHBondContact CB-O 3.24Å; N128-W167 PolarHBondContact ND2-O 2.99Å; I165-W167 HydrophobicContact CB-CZ2 4.26Å; I165-W167 HydrophobicContact CG1-CZ2 4.47Å; I165-W167 HydrophobicContact CG2-CD2 4.33Å; I165-W167 HydrophobicContact CG2-CZ2 3.74Å; I165-W167 VanDerWaalsContact CG2-NE1 3.31Å; I165-W167 PolarHBondContact O-N 3.17Å; W167-P235 HydrophobicContact CE3-CB 4.18Å; W167-P235 WeakPolarHBondContact CH2-O 3.44Å; W167-P235 HydrophobicContact CZ3-CB 4.11Å; W167-P235 WeakPolarHBondContact CZ3-O 3.24Å; W167-C236 HydrophobicContact CD2-CB 3.88Å; W167-C236 HydrophobicContact CG-CB 4.2Å; W167-C236 HydrophobicContact CH2-CB 4.48Å; W167-C236 VanDerWaalsContact CZ2-CA 3.41Å; W167-C236 HydrophobicContact CZ2-CB 3.76Å; W167-C236 VanDerWaalsContact NE1-CB 3.33Å; W167-V251 PolarHBondContact NE1-O 3.23Å; W167-P253 HydrophobicContact CB-CG 4.05Å; W167-P253 HydrophobicContact CG-CG 4.12Å; W167-P253 WeakPolarHBondContact O-CA 3.01Å
168R89.9Confident82.1Confident5 Ų573.2 Ų73.22%0.01939%0.388CS..SBendtrans-126.4128.8-178-171.2177-177.778.15.5112.5I165 P166 L212 G214 M215 P216 V251 P252I165-R168 HydrophobicContact CG2-CB 3.95Å; I165-R168 PolarHBondContact O-N 3.38Å; P166-R168 VanDerWaalsContact C-N 3.28Å; P166-R168 PolarHBondContact O-N 3.45Å; R168-L212 PolarHBondContact NH2-O 2.88Å; R168-G214 VanDerWaalsContact CZ-O 3.3Å; R168-G214 PolarHBondContact NE-O 2.84Å; R168-G214 PolarHBondContact NH2-O 2.81Å; R168-M215 HydrophobicContact CB-CE 4.33Å; R168-M215 HydrophobicContact CB-SD 4.47Å; R168-M215 VanDerWaalsContact CD-SD 3.56Å; R168-M215 HydrophobicContact CG-CE 4.36Å; R168-M215 HydrophobicContact CG-SD 3.9Å; R168-P216 VanDerWaalsContact CZ-CD 3.48Å; R168-P216 VanDerWaalsContact NH2-CD 3.31Å; R168-V251 HydrophobicContact CB-CG1 4.4Å; R168-V251 VanDerWaalsContact CD-CG1 3.42Å; R168-P252 VanDerWaalsContact CD-O 3.24Å; R168-P252 WeakPolarHBondContact CD-O 3.3Å; R168-P252 PolarHBondContact NH1-O 2.93Å
169R81.8Confident83.6Confident67 Ų6772.9 Ų72.925%0.25339%0.386SS..  trans-66.4142175.8-65-165.7-69.2-162.8-5.1112.5N128 E132 V172 D254N128-R169 HydrophobicContact CB-CG 3.88Å; E132-R169 VanDerWaalsContact CG-CD 3.49Å; E132-R169 HydrophobicContact CG-CG 3.89Å; E132-R169 WeakPolarHBondContact OE1-CA 3.37Å; E132-R169 WeakPolarHBondContact OE1-CB 3.35Å; E132-R169 VanDerWaalsContact OE1-CD 3.24Å; E132-R169 WeakPolarHBondContact OE1-CD 3.39Å; E132-R169 WeakPolarHBondContact OE1-CG 3.24Å; R169-V172 HydrophobicContact CB-CG2 3.58Å; R169-V172 WeakPolarHBondContact O-CG2 3.45Å; R169-D254 IonicContact CZ-OD2 2.83Å; R169-D254 IonicContact NE-OD2 3.5Å; R169-D254 IonicContact NH2-OD2 3.61Å; R169-D254 PolarHBondContact NH2-OD2 3.49Å
170S78.2Confident85.1Confident61 Ų6171.6 Ų71.643%0.42737%0.37SS..THydrogen-bonded Turntrans-80.6146.1172.8740000110.7V172S170-V172 VanDerWaalsContact C-N 3.3Å; S170-V172 PolarHBondContact O-N 3.36Å
171G82.6Confident87Confident62 Ų6271.2 Ų71.264%0.63937%0.367SS*.THydrogen-bonded Turntrans72.115173.900000116.1R173G171-R173 PolarHBondContact O-N 2.88Å
172V89Confident88.7Confident15 Ų1570.8 Ų70.89%0.09137%0.367CS..  trans-54.1133.9173.9178.10000110.3R169 S170 Y174 L212 S213 G214 D254R169-V172 HydrophobicContact CB-CG2 3.58Å; R169-V172 WeakPolarHBondContact O-CG2 3.45Å; S170-V172 VanDerWaalsContact C-N 3.3Å; S170-V172 PolarHBondContact O-N 3.36Å; V172-Y174 HydrophobicContact CG1-CD2 3.83Å; V172-Y174 HydrophobicContact CG1-CE2 3.39Å; V172-L212 VanDerWaalsContact CG1-O 3.29Å; V172-L212 WeakPolarHBondContact CG1-O 3.44Å; V172-S213 CarbonylContact O-C 3.32Å; V172-S213 VanDerWaalsContact O-CA 3.25Å; V172-S213 WeakPolarHBondContact O-CA 3.37Å; V172-G214 PolarHBondContact O-N 2.65Å; V172-D254 HydrophobicContact CG2-CB 4.47Å
173R93Very high90.3Very high226 Ų22662.8 Ų62.885%0.85333%0.325SS*.  trans-137.8133.2177-71.1-173.2179.6-1610.6110.9G171G171-R173 PolarHBondContact O-N 2.88Å
174Y94.1Very high91.4Very high69 Ų6961.1 Ų61.127%0.27131%0.313SS..  trans-126.9143.3172-70.3-80.7000110.4V172 N176 N177 K211 S213 D254V172-Y174 HydrophobicContact CG1-CD2 3.83Å; V172-Y174 HydrophobicContact CG1-CE2 3.39Å; Y174-N176 WeakPolarHBondContact CB-O 3Å; Y174-N177 PolarHBondContact O-ND2 3.16Å; Y174-K211 HydrophobicContact CD1-CB 4.02Å; Y174-K211 HydrophobicContact CD1-CG 4.49Å; Y174-K211 HydrophobicContact CD2-CB 4.14Å; Y174-K211 HydrophobicContact CE1-CB 3.96Å; Y174-K211 HydrophobicContact CE1-CD 4.49Å; Y174-K211 HydrophobicContact CE1-CG 4.05Å; Y174-K211 VanDerWaalsContact CE2-CA 3.48Å; Y174-K211 HydrophobicContact CE2-CB 4.06Å; Y174-K211 HydrophobicContact CG-CB 4.1Å; Y174-S213 PolarHBondContact N-OG 3.5Å; Y174-S213 PolarHBondContact O-OG 3.19Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.28Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.32Å; Y174-D254 PolarHBondContact OH-OD1 3.2Å; Y174-D254 VanDerWaalsContact OH-OD1 3.1Å; Y174-D254 PolarHBondContact OH-OD2 3.43Å; Y174-D254 VanDerWaalsContact OH-OD2 3.11Å
175N94.1Very high92.2Very high168 Ų16853.7 Ų53.790%0.89827%0.273SS*.SBendtrans-65.5-43.2171.9-66.4-11.4000110.7
176N95.7Very high92.5Very high115 Ų11555 Ų5562%0.61528%0.278SS*.SBendtrans-114.9123.6175.9-64.5-20.9000109.1Y174 E178Y174-N176 WeakPolarHBondContact CB-O 3Å; N176-E178 HydrophobicContact CB-CG 4.46Å
177N97.5Very high92.7Very high28 Ų2853.1 Ų53.115%0.1527%0.266CS..  trans-97.4115.5-177.3-68.1-87.2000109.8Y174 K211 L212 S213 Y381 P383 F384Y174-N177 PolarHBondContact O-ND2 3.16Å; N177-K211 CarbonylContact C-O 3.5Å; N177-K211 VanDerWaalsContact CA-O 3.24Å; N177-K211 WeakPolarHBondContact CA-O 3.43Å; N177-L212 HydrophobicContact CB-CD2 4.05Å; N177-S213 WeakPolarHBondContact OD1-CB 3.21Å; N177-S213 PolarHBondContact OD1-N 2.85Å; N177-S213 PolarHBondContact OD1-OG 2.82Å; N177-Y381 HydrophobicContact CB-CD2 3.56Å; N177-Y381 HydrophobicContact CB-CE2 3.4Å; N177-Y381 HydrophobicContact CB-CG 4.44Å; N177-Y381 VanDerWaalsContact CG-CE2 3.49Å; N177-P383 HydrophobicContact CB-CB 4.26Å; N177-P383 CarbonylContact O-C 3.53Å; N177-P383 WeakPolarHBondContact O-CA 3.17Å; N177-F384 PolarHBondContact O-N 3.01Å
178E97.5Very high92.7Very high45 Ų4552.7 Ų52.721%0.2127%0.266CS..EExtended strand (participates in β ladder)trans-139.7141.1-170.7-52177.8159.200110.6N176 Y180 K211 F384N176-E178 HydrophobicContact CB-CG 4.46Å; E178-Y180 HydrophobicContact CB-CD2 4.36Å; E178-Y180 HydrophobicContact CB-CE2 3.64Å; E178-Y180 HydrophobicContact CG-CE2 4.46Å; E178-Y180 PolarHBondContact OE2-OH 2.83Å; E178-K211 PolarHBondContact N-O 3.03Å; E178-K211 CarbonylContact O-C 3.59Å; E178-K211 WeakPolarHBondContact O-CA 3.3Å; E178-K211 PolarHBondContact O-N 3.12Å; E178-F384 CarbonylContact C-O 3.52Å; E178-F384 WeakPolarHBondContact CA-O 3.18Å; E178-F384 HydrophobicContact CB-CB 4.43Å; E178-F384 HydrophobicContact CG-CB 4.12Å
179A97.9Very high92.6Very high0 Ų052.5 Ų52.50%027%0.266CS..EExtended strand (participates in β ladder)trans-132.6117.1174.400000109.6F181 I210 L212 F384 K385 G386A179-F181 HydrophobicContact CB-CE2 3.97Å; A179-F181 HydrophobicContact CB-CZ 4.29Å; A179-I210 HydrophobicContact CB-CD1 3.64Å; A179-L212 HydrophobicContact CB-CD1 4.3Å; A179-L212 HydrophobicContact CB-CD2 4.45Å; A179-F384 PolarHBondContact N-O 2.94Å; A179-K385 CarbonylContact O-C 3.51Å; A179-K385 VanDerWaalsContact O-CA 3.29Å; A179-K385 WeakPolarHBondContact O-CA 3.33Å; A179-G386 PolarHBondContact O-N 3.17Å
180Y98.3Very high92.8Very high79 Ų7951 Ų5131%0.3126%0.262SS..EExtended strand (participates in β ladder)trans-110.2139.2177.6-60.7-86.3000110.5E178 C208 C209 F384 G386E178-Y180 HydrophobicContact CB-CD2 4.36Å; E178-Y180 HydrophobicContact CB-CE2 3.64Å; E178-Y180 HydrophobicContact CG-CE2 4.46Å; E178-Y180 PolarHBondContact OE2-OH 2.83Å; Y180-C208 CarbonylContact O-C 3.55Å; Y180-C208 VanDerWaalsContact O-CA 3.27Å; Y180-C208 WeakPolarHBondContact O-CA 3.37Å; Y180-C209 HydrophobicContact CD2-CB 4.49Å; Y180-C209 PolarHBondContact N-O 2.92Å; Y180-C209 PolarHBondContact O-N 2.71Å; Y180-F384 HydrophobicContact CD1-CE1 4.41Å; Y180-F384 AromaticContact CE1-CD1 3.93Å; Y180-F384 HydrophobicContact CE1-CD1 3.93Å; Y180-F384 AromaticContact CE1-CE1 3.56Å; Y180-F384 HydrophobicContact CE1-CE1 3.56Å; Y180-F384 AromaticContact CZ-CD1 3.92Å; Y180-F384 AromaticContact CZ-CE1 3.98Å; Y180-G386 CarbonylContact C-O 3.5Å; Y180-G386 WeakPolarHBondContact CA-O 3.32Å
181F98.1Very high93.3Very high0 Ų048.3 Ų48.30%024%0.243CC..EExtended strand (participates in β ladder)trans-126.3111.5177.7-56-90.9000109A179 V206 C208 I210 L218 L220 F250 L259 V374 G386 V387 K388A179-F181 HydrophobicContact CB-CE2 3.97Å; A179-F181 HydrophobicContact CB-CZ 4.29Å; F181-V206 HydrophobicContact CB-CG1 4.23Å; F181-V206 HydrophobicContact CD1-CG1 4.34Å; F181-C208 WeakPolarHBondContact CD1-SG 3.39Å; F181-I210 HydrophobicContact CE1-CD1 4.5Å; F181-I210 HydrophobicContact CZ-CD1 4.29Å; F181-L218 HydrophobicContact CZ-CD1 4.27Å; F181-L220 HydrophobicContact CD1-CD1 3.58Å; F181-L220 HydrophobicContact CE1-CD1 3.75Å; F181-L220 HydrophobicContact CG-CD1 4.12Å; F181-L220 HydrophobicContact CZ-CD1 4.4Å; F181-F250 HydrophobicContact CE1-CZ 4.16Å; F181-L259 HydrophobicContact CE1-CD2 4.44Å; F181-V374 HydrophobicContact CD2-CG2 4.34Å; F181-V374 HydrophobicContact CE2-CB 4.48Å; F181-V374 HydrophobicContact CE2-CG1 3.84Å; F181-V374 HydrophobicContact CE2-CG2 4.03Å; F181-V374 HydrophobicContact CZ-CG1 3.89Å; F181-V374 HydrophobicContact CZ-CG2 4.41Å; F181-G386 PolarHBondContact N-O 3.39Å; F181-V387 HydrophobicContact CB-CG1 4.47Å; F181-V387 HydrophobicContact CB-CG2 4.31Å; F181-V387 HydrophobicContact CD2-CG2 4.36Å; F181-V387 CarbonylContact O-C 3.58Å; F181-V387 VanDerWaalsContact O-CA 3.26Å; F181-V387 WeakPolarHBondContact O-CA 3.32Å; F181-K388 PolarHBondContact O-N 2.95Å
182D97.6Very high93.4Very high62 Ų6247.1 Ų47.133%0.33222%0.222SC..EExtended strand (participates in β ladder)trans-99.4104.7177.1-70.8-5.3000108.2V184 V206 D207 K388D182-V184 HydrophobicContact CB-CG2 4.46Å; D182-V184 PolarHBondContact O-N 3.33Å; D182-V206 WeakPolarHBondContact O-CA 3.3Å; D182-D207 PolarHBondContact N-O 2.81Å; D182-D207 PolarHBondContact O-N 2.63Å; D182-K388 WeakPolarHBondContact OD1-CB 3.49Å
183V97.6Very high93.1Very high1 Ų153.6 Ų53.61%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-84.6107.5173.2-175.30000107.6V206 F262 V369 V371 V387 K388 Y389 V390V183-V206 HydrophobicContact CG2-CG2 4.23Å; V183-F262 HydrophobicContact CG1-CE1 4.37Å; V183-F262 HydrophobicContact CG1-CZ 4.2Å; V183-V369 HydrophobicContact CG1-CG1 4.13Å; V183-V371 HydrophobicContact CG2-CG2 4.17Å; V183-V387 HydrophobicContact CG2-CG1 4.17Å; V183-K388 PolarHBondContact N-O 3.19Å; V183-Y389 HydrophobicContact CB-CD1 3.68Å; V183-Y389 HydrophobicContact CB-CE1 3.97Å; V183-Y389 HydrophobicContact CB-CG 4.5Å; V183-Y389 HydrophobicContact CG1-CD1 4Å; V183-Y389 HydrophobicContact CG1-CE1 4.25Å; V183-Y389 HydrophobicContact CG2-CD1 4.09Å; V183-Y389 HydrophobicContact CG2-CE1 3.86Å; V183-Y389 CarbonylContact O-C 3.58Å; V183-Y389 WeakPolarHBondContact O-CA 3.47Å; V183-V390 PolarHBondContact O-N 3.16Å
184V96.2Very high92.7Very high9 Ų947 Ų476%0.05524%0.237CC..EExtended strand (participates in β ladder)trans-109.8131.5-178.9-173.10000109.4D182 G204 F205 V390D182-V184 HydrophobicContact CB-CG2 4.46Å; D182-V184 PolarHBondContact O-N 3.33Å; V184-G204 CarbonylContact O-C 3.55Å; V184-G204 WeakPolarHBondContact O-CA 3.22Å; V184-F205 HydrophobicContact CB-CD2 3.99Å; V184-F205 HydrophobicContact CB-CE1 4.08Å; V184-F205 HydrophobicContact CB-CE2 3.51Å; V184-F205 HydrophobicContact CB-CG 4.47Å; V184-F205 HydrophobicContact CB-CZ 3.56Å; V184-F205 HydrophobicContact CG1-CE1 4.04Å; V184-F205 HydrophobicContact CG1-CE2 4.08Å; V184-F205 HydrophobicContact CG1-CZ 3.61Å; V184-F205 HydrophobicContact CG2-CD2 4.27Å; V184-F205 HydrophobicContact CG2-CE2 3.63Å; V184-F205 HydrophobicContact CG2-CZ 4.04Å; V184-F205 PolarHBondContact N-O 3.34Å; V184-F205 PolarHBondContact O-N 2.84Å; V184-V390 CarbonylContact C-O 3.6Å; V184-V390 VanDerWaalsContact CA-O 3.26Å; V184-V390 WeakPolarHBondContact CA-O 3.43Å; V184-V390 HydrophobicContact CG2-CB 4.43Å
185E94.1Very high92Very high0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-119.5139.1175.6-70.4-178.8179.600109.9I202 H203 F262 S365 L366 S367 V390 T391 R392E185-I202 HydrophobicContact CB-CG2 3.77Å; E185-I202 HydrophobicContact CG-CG2 3.83Å; E185-H203 CarbonylContact C-O 3.54Å; E185-F262 HydrophobicContact CG-CE2 4.18Å; E185-F262 HydrophobicContact CG-CZ 4Å; E185-S365 VanDerWaalsContact CD-OG 3.24Å; E185-S365 WeakPolarHBondContact OE1-CB 3.41Å; E185-S365 PolarHBondContact OE1-OG 2.86Å; E185-S365 WeakPolarHBondContact OE2-CA 2.9Å; E185-S365 PolarHBondContact OE2-OG 2.88Å; E185-L366 PolarHBondContact OE2-N 2.88Å; E185-S367 WeakPolarHBondContact OE1-CB 3.44Å; E185-S367 PolarHBondContact OE1-OG 2.68Å; E185-S367 PolarHBondContact OE2-N 2.94Å; E185-V390 PolarHBondContact N-O 2.96Å; E185-T391 HydrophobicContact CB-CG2 4.14Å; E185-T391 CarbonylContact O-C 3.56Å; E185-T391 WeakPolarHBondContact O-CA 3.37Å; E185-R392 PolarHBondContact O-N 2.69Å
186E92.9Very high91.5Very high72 Ų7241.6 Ų41.634%0.33622%0.22SC..EExtended strand (participates in β ladder)trans-120.7123.8173-66.7-173.3175.500108.2I202 H203 R392E186-I202 WeakPolarHBondContact O-CA 3.42Å; E186-H203 PolarHBondContact N-O 2.92Å; E186-H203 PolarHBondContact O-N 3.48Å; E186-R392 WeakPolarHBondContact CA-O 2.97Å; E186-R392 HydrophobicContact CG-CB 4.44Å
187I90.1Very high91Very high0 Ų039.3 Ų39.30%021%0.207CC..EExtended strand (participates in β ladder)trans-100.1118.7-176.6-58.9172.3000109.6A189 I202 V270 F359 L366 T391 R392 G394 F396I187-A189 HydrophobicContact CG2-CB 4.18Å; I187-I202 HydrophobicContact CG1-CG1 4.2Å; I187-V270 HydrophobicContact CG2-CG1 4.14Å; I187-F359 HydrophobicContact CD1-CZ 4.42Å; I187-L366 HydrophobicContact CD1-CB 3.78Å; I187-L366 HydrophobicContact CD1-CD1 3.06Å; I187-L366 HydrophobicContact CD1-CG 3.95Å; I187-T391 HydrophobicContact CD1-CG2 3.47Å; I187-T391 VanDerWaalsContact CD1-CG2 3.47Å; I187-T391 HydrophobicContact CG1-CG2 3.86Å; I187-R392 PolarHBondContact N-O 3Å; I187-G394 WeakPolarHBondContact O-CA 3.45Å; I187-G394 PolarHBondContact O-N 2.89Å; I187-F396 HydrophobicContact CG2-CD2 4.33Å; I187-F396 HydrophobicContact CG2-CE2 4.46Å
188D90Very high90.6Very high23 Ų2341.7 Ų41.712%0.12322%0.223CC..EExtended strand (participates in β ladder)trans-96.3121.6167.9-74.711.3000107.8F199 G200 E201 H203 G394 R395D188-F199 HydrophobicContact CB-CE1 3.89Å; D188-G200 CarbonylContact O-C 3.56Å; D188-G200 VanDerWaalsContact O-CA 3.32Å; D188-G200 WeakPolarHBondContact O-CA 3.38Å; D188-E201 PolarHBondContact N-O 3.46Å; D188-E201 PolarHBondContact O-N 2.85Å; D188-H203 IonicContact OD2-CD2 2.82Å; D188-G394 VanDerWaalsContact OD1-CA 3.3Å; D188-G394 WeakPolarHBondContact OD1-CA 3.44Å; D188-R395 WeakPolarHBondContact CA-O 3.35Å; D188-R395 HydrophobicContact CB-CB 4.33Å; D188-R395 PolarHBondContact OD1-N 3.31Å
189A88.3Confident90.2Very high1 Ų142.8 Ų42.81%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-142.6139.6-175.800000111.1I187 L197 F199 R395 F396 Q397I187-A189 HydrophobicContact CG2-CB 4.18Å; A189-L197 HydrophobicContact CB-CD1 4.03Å; A189-F199 CarbonylContact C-O 3.48Å; A189-F199 VanDerWaalsContact CA-O 3.27Å; A189-F199 WeakPolarHBondContact CA-O 3.4Å; A189-R395 PolarHBondContact N-O 3Å; A189-R395 VanDerWaalsContact O-O 3.14Å; A189-F396 HydrophobicContact CB-CD2 3.56Å; A189-F396 HydrophobicContact CB-CE2 3.54Å; A189-F396 HydrophobicContact CB-CG 4.23Å; A189-F396 HydrophobicContact CB-CZ 4.17Å; A189-Q397 PolarHBondContact O-N 2.7Å
190I87.3Confident89.8Confident36 Ų3642.8 Ų42.819%0.18523%0.227CC..EExtended strand (participates in β ladder)trans-119.3117.2169-57177.2000107.7V198 F199 Q397 R399I190-V198 HydrophobicContact CB-CB 4.39Å; I190-V198 HydrophobicContact CG2-CB 4.26Å; I190-V198 WeakPolarHBondContact O-CB 3.33Å; I190-V198 PolarHBondContact O-N 3.46Å; I190-F199 HydrophobicContact CB-CB 3.98Å; I190-F199 HydrophobicContact CD1-CB 4.1Å; I190-F199 HydrophobicContact CD1-CD1 4.49Å; I190-F199 HydrophobicContact CG1-CB 4.05Å; I190-F199 HydrophobicContact CG1-CD1 4.28Å; I190-F199 PolarHBondContact N-O 3.35Å; I190-F199 PolarHBondContact O-N 3.27Å; I190-Q397 CarbonylContact C-O 3.48Å; I190-Q397 WeakPolarHBondContact CA-O 3.49Å; I190-R399 HydrophobicContact CG2-CG 4.14Å
191I86.7Confident89.5Confident4 Ų441 Ų412%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-104.2132.4174.9-57.3179.6000108.3N196 L197 P272 F396 Q397 I398 R399I191-N196 CarbonylContact C-O 3.36Å; I191-N196 WeakPolarHBondContact CA-O 3.47Å; I191-L197 HydrophobicContact CG1-CD1 4.29Å; I191-P272 HydrophobicContact CD1-CB 4.12Å; I191-P272 HydrophobicContact CD1-CG 4.25Å; I191-F396 HydrophobicContact CD1-CE1 3.8Å; I191-F396 HydrophobicContact CD1-CZ 3.73Å; I191-Q397 PolarHBondContact N-O 3.42Å; I191-I398 HydrophobicContact CB-CG1 4.19Å; I191-I398 HydrophobicContact CB-CG2 4.47Å; I191-I398 HydrophobicContact CD1-CG1 4.25Å; I191-R399 WeakPolarHBondContact O-CB 3.46Å; I191-R399 PolarHBondContact O-N 3.44Å
192D86.2Confident89.2Confident36 Ų3641 Ų4119%0.19322%0.221CC..  trans-74172.8175.67710.9000112.4S194 G195 N196 V198D192-S194 PolarHBondContact O-N 2.75Å; D192-S194 VanDerWaalsContact O-N 3.11Å; D192-S194 VanDerWaalsContact OD1-CA 3.25Å; D192-S194 WeakPolarHBondContact OD1-CA 3.37Å; D192-S194 VanDerWaalsContact OD1-CB 3.29Å; D192-S194 WeakPolarHBondContact OD1-CB 3.43Å; D192-S194 PolarHBondContact OD1-N 2.75Å; D192-G195 PolarHBondContact O-N 2.62Å; D192-G195 PolarHBondContact OD1-N 2.93Å; D192-N196 PolarHBondContact N-O 3.25Å; D192-N196 PolarHBondContact OD1-N 2.8Å; D192-N196 PolarHBondContact OD2-ND2 3.44Å; D192-V198 HydrophobicContact CB-CG2 3.73Å
193K82.6Confident89.1Confident152 Ų15241.7 Ų41.766%0.66122%0.223SC*.THydrogen-bonded Turntrans-61.8-17.6177.766.1178.4-179.4179.30114.5R399K193-R399 WeakPolarHBondContact CA-O 3.49Å
194S83.6Confident89.1Confident86 Ų8641.9 Ų41.960%0.60122%0.224SC*.THydrogen-bonded Turntrans-92.2-6.8179.4-450000111.9D192D192-S194 PolarHBondContact O-N 2.75Å; D192-S194 VanDerWaalsContact O-N 3.11Å; D192-S194 VanDerWaalsContact OD1-CA 3.25Å; D192-S194 WeakPolarHBondContact OD1-CA 3.37Å; D192-S194 VanDerWaalsContact OD1-CB 3.29Å; D192-S194 WeakPolarHBondContact OD1-CB 3.43Å; D192-S194 PolarHBondContact OD1-N 2.75Å
195G80.2Confident89.1Confident30 Ų3042.8 Ų42.831%0.30923%0.228SC..SBendtrans90.810.5-17700000114.6D192D192-G195 PolarHBondContact O-N 2.62Å; D192-G195 PolarHBondContact OD1-N 2.93Å
196N84.2Confident89.3Confident94 Ų9442.8 Ų42.850%0.50323%0.228SC..  trans-86141177.6-52.6-57.5000111.2I191 D192 V198I191-N196 CarbonylContact C-O 3.36Å; I191-N196 WeakPolarHBondContact CA-O 3.47Å; D192-N196 PolarHBondContact N-O 3.25Å; D192-N196 PolarHBondContact OD1-N 2.8Å; D192-N196 PolarHBondContact OD2-ND2 3.44Å; N196-V198 PolarHBondContact O-N 3.15Å
197L85.3Confident89.6Confident67 Ų6741.8 Ų41.835%0.35123%0.225SC..EExtended strand (participates in β ladder)trans-72.6116.6171.5-170.773000109.9A189 I191 F199 V270 P272A189-L197 HydrophobicContact CB-CD1 4.03Å; I191-L197 HydrophobicContact CG1-CD1 4.29Å; L197-F199 WeakPolarHBondContact CD1-O 3.38Å; L197-V270 WeakPolarHBondContact CD2-O 3.48Å; L197-P272 HydrophobicContact CD1-CG 4.31Å
198V88.1Confident90Very high79 Ų7942 Ų4248%0.47923%0.226SC..EExtended strand (participates in β ladder)trans-91.6-37176.3-179.80000111.1I190 D192 N196I190-V198 HydrophobicContact CB-CB 4.39Å; I190-V198 HydrophobicContact CG2-CB 4.26Å; I190-V198 WeakPolarHBondContact O-CB 3.33Å; I190-V198 PolarHBondContact O-N 3.46Å; D192-V198 HydrophobicContact CB-CG2 3.73Å; N196-V198 PolarHBondContact O-N 3.15Å
199F88.9Confident90.3Very high68 Ų6842.5 Ų42.530%0.29823%0.231SC..EExtended strand (participates in β ladder)trans-144.8138.8180174.6-95.7000107.8D188 A189 I190 L197 E201D188-F199 HydrophobicContact CB-CE1 3.89Å; A189-F199 CarbonylContact C-O 3.48Å; A189-F199 VanDerWaalsContact CA-O 3.27Å; A189-F199 WeakPolarHBondContact CA-O 3.4Å; I190-F199 HydrophobicContact CB-CB 3.98Å; I190-F199 HydrophobicContact CD1-CB 4.1Å; I190-F199 HydrophobicContact CD1-CD1 4.49Å; I190-F199 HydrophobicContact CG1-CB 4.05Å; I190-F199 HydrophobicContact CG1-CD1 4.28Å; I190-F199 PolarHBondContact N-O 3.35Å; I190-F199 PolarHBondContact O-N 3.27Å; L197-F199 WeakPolarHBondContact CD1-O 3.38Å; F199-E201 HydrophobicContact CD2-CG 4.44Å; F199-E201 HydrophobicContact CE1-CB 4.16Å; F199-E201 HydrophobicContact CE1-CG 4.07Å; F199-E201 VanDerWaalsContact CE2-CD 3.41Å; F199-E201 HydrophobicContact CE2-CG 3.62Å; F199-E201 HydrophobicContact CZ-CB 3.85Å; F199-E201 HydrophobicContact CZ-CG 3.41Å; F199-E201 VanDerWaalsContact CZ-CG 3.41Å; F199-E201 WeakPolarHBondContact CZ-OE2 3.45Å
200G88.8Confident90.7Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-156.5112.8178.300000109.6D188 S266D188-G200 CarbonylContact O-C 3.56Å; D188-G200 VanDerWaalsContact O-CA 3.32Å; D188-G200 WeakPolarHBondContact O-CA 3.38Å; G200-S266 VanDerWaalsContact O-CA 3.27Å; G200-S266 WeakPolarHBondContact O-CA 3.39Å
201E92.3Very high91.1Very high41 Ų4144.7 Ų44.719%0.19224%0.239CC..EExtended strand (participates in β ladder)trans-136.1156.6177.4-65.4-167.4166.700110D188 F199 H263D188-E201 PolarHBondContact N-O 3.46Å; D188-E201 PolarHBondContact O-N 2.85Å; F199-E201 HydrophobicContact CD2-CG 4.44Å; F199-E201 HydrophobicContact CE1-CB 4.16Å; F199-E201 HydrophobicContact CE1-CG 4.07Å; F199-E201 VanDerWaalsContact CE2-CD 3.41Å; F199-E201 HydrophobicContact CE2-CG 3.62Å; F199-E201 HydrophobicContact CZ-CB 3.85Å; F199-E201 HydrophobicContact CZ-CG 3.41Å; F199-E201 VanDerWaalsContact CZ-CG 3.41Å; F199-E201 WeakPolarHBondContact CZ-OE2 3.45Å; E201-H263 IonicContact OE1-NE2 3.23Å; E201-H263 IonicContact OE2-CD2 3.82Å; E201-H263 IonicContact OE2-CE1 2.87Å; E201-H263 IonicContact OE2-NE2 2.82Å; E201-H263 PolarHBondContact OE2-NE2 3Å
202I93.3Very high91.6Very high0 Ų044.5 Ų44.50%024%0.238CC..EExtended strand (participates in β ladder)trans-122.2119.1178.8-55.9178.6000108E185 E186 I187 H263 I264 V270 L366E185-I202 HydrophobicContact CB-CG2 3.77Å; E185-I202 HydrophobicContact CG-CG2 3.83Å; E186-I202 WeakPolarHBondContact O-CA 3.42Å; I187-I202 HydrophobicContact CG1-CG1 4.2Å; I202-H263 WeakPolarHBondContact O-CA 3.33Å; I202-I264 HydrophobicContact CB-CB 4.2Å; I202-I264 PolarHBondContact N-O 3.43Å; I202-I264 PolarHBondContact O-N 2.88Å; I202-V270 HydrophobicContact CD1-CG1 4.28Å; I202-V270 HydrophobicContact CD1-CG2 3.92Å; I202-V270 HydrophobicContact CG1-CG1 4.23Å; I202-V270 HydrophobicContact CG1-CG2 3.88Å; I202-L366 HydrophobicContact CD1-CB 4.48Å
203H95.1Very high92Very high77 Ų7743.6 Ų43.636%0.35624%0.235SC..EExtended strand (participates in β ladder)trans-95.5134.9163.9-63.4-76000107.7E185 E186 D188 H263E185-H203 CarbonylContact C-O 3.54Å; E186-H203 PolarHBondContact N-O 2.92Å; E186-H203 PolarHBondContact O-N 3.48Å; D188-H203 IonicContact OD2-CD2 2.82Å; H203-H263 AromaticContact CE1-CD2 3.35Å; H203-H263 PolarHBondContact CE1-CD2 3.24Å; H203-H263 AromaticContact CE1-NE2 3.96Å; H203-H263 AromaticContact ND1-CD2 3.56Å
204G96Very high92.5Very high4 Ų437.2 Ų37.24%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-147.6168.7178.700000113.1V184 T261 F262V184-G204 CarbonylContact O-C 3.55Å; V184-G204 WeakPolarHBondContact O-CA 3.22Å; G204-T261 CarbonylContact O-C 3.56Å; G204-T261 WeakPolarHBondContact O-CA 3.26Å; G204-F262 VanDerWaalsContact C-CE1 3.47Å; G204-F262 PolarHBondContact N-O 3.03Å; G204-F262 PolarHBondContact O-N 3.19Å
205F98Very high93Very high28 Ų2836.6 Ų36.612%0.12320%0.2CC..EExtended strand (participates in β ladder)trans-151.8159.917853.9-94.3000111V184 D207 R258 M260 T261V184-F205 HydrophobicContact CB-CD2 3.99Å; V184-F205 HydrophobicContact CB-CE1 4.08Å; V184-F205 HydrophobicContact CB-CE2 3.51Å; V184-F205 HydrophobicContact CB-CG 4.47Å; V184-F205 HydrophobicContact CB-CZ 3.56Å; V184-F205 HydrophobicContact CG1-CE1 4.04Å; V184-F205 HydrophobicContact CG1-CE2 4.08Å; V184-F205 HydrophobicContact CG1-CZ 3.61Å; V184-F205 HydrophobicContact CG2-CD2 4.27Å; V184-F205 HydrophobicContact CG2-CE2 3.63Å; V184-F205 HydrophobicContact CG2-CZ 4.04Å; V184-F205 PolarHBondContact N-O 3.34Å; V184-F205 PolarHBondContact O-N 2.84Å; F205-D207 HydrophobicContact CD2-CB 4.37Å; F205-D207 WeakPolarHBondContact CD2-OD2 3.41Å; F205-D207 WeakPolarHBondContact CE2-OD2 3.37Å; F205-R258 HydrophobicContact CB-CG 4.47Å; F205-M260 CarbonylContact C-O 3.6Å; F205-M260 WeakPolarHBondContact CA-O 3.34Å; F205-M260 WeakPolarHBondContact CB-O 3.27Å; F205-T261 HydrophobicContact CB-CG2 4.08Å
206V98.2Very high93.7Very high0 Ų035.1 Ų35.10%019%0.186CC..EExtended strand (participates in β ladder)trans-115.5104.5172.6-174.50000107.8F181 D182 V183 F222 L259 M260 F262F181-V206 HydrophobicContact CB-CG1 4.23Å; F181-V206 HydrophobicContact CD1-CG1 4.34Å; D182-V206 WeakPolarHBondContact O-CA 3.3Å; V183-V206 HydrophobicContact CG2-CG2 4.23Å; V206-F222 HydrophobicContact CG2-CZ 4.31Å; V206-L259 HydrophobicContact CG1-CD2 4.45Å; V206-L259 PolarHBondContact O-N 2.74Å; V206-M260 HydrophobicContact CB-CG 3.89Å; V206-M260 HydrophobicContact CG2-CG 3.65Å; V206-M260 HydrophobicContact CG2-SD 4.06Å; V206-M260 PolarHBondContact N-O 2.83Å; V206-F262 HydrophobicContact CG2-CE1 4.24Å
207D97.8Very high94.2Very high51 Ų5132.5 Ų32.527%0.27317%0.171SC..EExtended strand (participates in β ladder)trans-91.1136.3172-75.7-14.2000109.3D182 F205 R258D182-D207 PolarHBondContact N-O 2.81Å; D182-D207 PolarHBondContact O-N 2.63Å; F205-D207 HydrophobicContact CD2-CB 4.37Å; F205-D207 WeakPolarHBondContact CD2-OD2 3.41Å; F205-D207 WeakPolarHBondContact CE2-OD2 3.37Å; D207-R258 WeakPolarHBondContact OD1-CA 3.29Å; D207-R258 VanDerWaalsContact OD1-CB 3.28Å; D207-R258 WeakPolarHBondContact OD1-CB 3.35Å; D207-R258 WeakPolarHBondContact OD1-CG 3.48Å; D207-R258 IonicContact OD1-CZ 3.89Å; D207-R258 IonicContact OD1-NE 3.97Å; D207-R258 PolarHBondContact OD1-NE 3.17Å; D207-R258 IonicContact OD1-NH2 2.85Å; D207-R258 PolarHBondContact OD1-NH2 3Å; D207-R258 IonicContact OD2-NE 3.24Å; D207-R258 IonicContact OD2-NH2 2.8Å; D207-R258 PolarHBondContact OD2-NH2 3.3Å
208C98Very high94.8Very high5 Ų529.3 Ų29.33%0.03416%0.155CC..EExtended strand (participates in β ladder)trans-112.6145.3-175.7-67.70000110.4Y180 F181 I210 R256 F257 L259Y180-C208 CarbonylContact O-C 3.55Å; Y180-C208 VanDerWaalsContact O-CA 3.27Å; Y180-C208 WeakPolarHBondContact O-CA 3.37Å; F181-C208 WeakPolarHBondContact CD1-SG 3.39Å; C208-I210 HydrophobicContact CB-CD1 4.18Å; C208-I210 HydrophobicContact CB-CG1 4.05Å; C208-R256 VanDerWaalsContact O-CA 3.25Å; C208-R256 WeakPolarHBondContact O-CA 3.43Å; C208-F257 HydrophobicContact CB-CD1 3.93Å; C208-F257 HydrophobicContact CB-CE1 3.5Å; C208-F257 VanDerWaalsContact CB-CE1 3.5Å; C208-F257 HydrophobicContact CB-CE2 4.42Å; C208-F257 HydrophobicContact CB-CZ 3.75Å; C208-F257 PolarHBondContact N-O 3.14Å; C208-F257 PolarHBondContact O-N 2.94Å; C208-F257 VanDerWaalsContact O-N 3.12Å; C208-L259 VanDerWaalsContact SG-CB 3.56Å
209C96.8Very high95.3Very high33 Ų3326 Ų2622%0.22314%0.135CC..EExtended strand (participates in β ladder)trans-124.5102.2163.6-176.80000108.1Y180 R256Y180-C209 HydrophobicContact CD2-CB 4.49Å; Y180-C209 PolarHBondContact N-O 2.92Å; Y180-C209 PolarHBondContact O-N 2.71Å; C209-R256 HydrophobicContact CB-CG 4.4Å
210I96.9Very high95.7Very high0 Ų022.8 Ų22.80%012%0.121CC..EExtended strand (participates in β ladder)trans-107.1116.4-172.6-58.2-54.5000109.5A179 F181 C208 L212 L218 P252 G255 F257A179-I210 HydrophobicContact CB-CD1 3.64Å; F181-I210 HydrophobicContact CE1-CD1 4.5Å; F181-I210 HydrophobicContact CZ-CD1 4.29Å; C208-I210 HydrophobicContact CB-CD1 4.18Å; C208-I210 HydrophobicContact CB-CG1 4.05Å; I210-L212 HydrophobicContact CG2-CB 3.97Å; I210-L212 HydrophobicContact CG2-CD1 3.77Å; I210-L212 HydrophobicContact CG2-CG 3.68Å; I210-L218 HydrophobicContact CD1-CD1 4.38Å; I210-P252 HydrophobicContact CB-CB 4.42Å; I210-P252 HydrophobicContact CG1-CB 3.92Å; I210-P252 HydrophobicContact CG1-CG 4.38Å; I210-P252 HydrophobicContact CG2-CB 4.07Å; I210-P252 HydrophobicContact CG2-CG 3.75Å; I210-G255 PolarHBondContact N-O 2.85Å; I210-G255 WeakPolarHBondContact O-CA 3.19Å; I210-G255 PolarHBondContact O-N 3.14Å; I210-F257 HydrophobicContact CB-CE1 4.47Å; I210-F257 HydrophobicContact CG1-CD1 4.49Å; I210-F257 HydrophobicContact CG1-CE1 3.6Å; I210-F257 HydrophobicContact CG1-CZ 4.41Å
211K96.5Very high96.1Very high84 Ų8424.2 Ų24.237%0.36513%0.13SC..EExtended strand (participates in β ladder)trans-121.172.3172.7-63.8179.1-174.61730108.3Y174 N177 E178Y174-K211 HydrophobicContact CD1-CB 4.02Å; Y174-K211 HydrophobicContact CD1-CG 4.49Å; Y174-K211 HydrophobicContact CD2-CB 4.14Å; Y174-K211 HydrophobicContact CE1-CB 3.96Å; Y174-K211 HydrophobicContact CE1-CD 4.49Å; Y174-K211 HydrophobicContact CE1-CG 4.05Å; Y174-K211 VanDerWaalsContact CE2-CA 3.48Å; Y174-K211 HydrophobicContact CE2-CB 4.06Å; Y174-K211 HydrophobicContact CG-CB 4.1Å; N177-K211 CarbonylContact C-O 3.5Å; N177-K211 VanDerWaalsContact CA-O 3.24Å; N177-K211 WeakPolarHBondContact CA-O 3.43Å; E178-K211 PolarHBondContact N-O 3.03Å; E178-K211 CarbonylContact O-C 3.59Å; E178-K211 WeakPolarHBondContact O-CA 3.3Å; E178-K211 PolarHBondContact O-N 3.12Å
212L96.7Very high96.3Very high0 Ų022.8 Ų22.80%012%0.124CC..  trans-120.5138.4-175.2-64.5-178000109.8R168 V172 N177 A179 I210 P216 L218 M376 Y381 P383R168-L212 PolarHBondContact NH2-O 2.88Å; V172-L212 VanDerWaalsContact CG1-O 3.29Å; V172-L212 WeakPolarHBondContact CG1-O 3.44Å; N177-L212 HydrophobicContact CB-CD2 4.05Å; A179-L212 HydrophobicContact CB-CD1 4.3Å; A179-L212 HydrophobicContact CB-CD2 4.45Å; I210-L212 HydrophobicContact CG2-CB 3.97Å; I210-L212 HydrophobicContact CG2-CD1 3.77Å; I210-L212 HydrophobicContact CG2-CG 3.68Å; L212-P216 HydrophobicContact CB-CB 4.41Å; L212-P216 HydrophobicContact CB-CG 3.73Å; L212-P216 HydrophobicContact CD1-CB 3.9Å; L212-P216 HydrophobicContact CD1-CG 3.74Å; L212-P216 HydrophobicContact CG-CG 4.41Å; L212-L218 HydrophobicContact CD1-CD1 4.15Å; L212-L218 HydrophobicContact CD1-CD2 4.26Å; L212-L218 HydrophobicContact CD1-CG 4.5Å; L212-M376 HydrophobicContact CD1-SD 4.27Å; L212-Y381 WeakPolarHBondContact CB-OH 3.34Å; L212-Y381 HydrophobicContact CD2-CE2 4.14Å; L212-P383 HydrophobicContact CD2-CB 3.49Å; L212-P383 VanDerWaalsContact CD2-CB 3.49Å; L212-P383 HydrophobicContact CD2-CG 4.27Å
213S95.4Very high96.4Very high17 Ų1727.2 Ų27.212%0.11915%0.15CC..  trans-79.1153.3177.8-52.90000111.5V172 Y174 N177 Y381V172-S213 CarbonylContact O-C 3.32Å; V172-S213 VanDerWaalsContact O-CA 3.25Å; V172-S213 WeakPolarHBondContact O-CA 3.37Å; Y174-S213 PolarHBondContact N-OG 3.5Å; Y174-S213 PolarHBondContact O-OG 3.19Å; N177-S213 WeakPolarHBondContact OD1-CB 3.21Å; N177-S213 PolarHBondContact OD1-N 2.85Å; N177-S213 PolarHBondContact OD1-OG 2.82Å; S213-Y381 PolarHBondContact N-OH 2.88Å; S213-Y381 VanDerWaalsContact N-OH 3.09Å; S213-Y381 PolarHBondContact O-OH 2.87Å
214G92.8Very high96.4Very high18 Ų1826.7 Ų26.719%0.18615%0.15CC..SBendtrans68.2-142.217500000113.5R168 V172 P216 E379R168-G214 VanDerWaalsContact CZ-O 3.3Å; R168-G214 PolarHBondContact NE-O 2.84Å; R168-G214 PolarHBondContact NH2-O 2.81Å; V172-G214 PolarHBondContact O-N 2.65Å; G214-P216 VanDerWaalsContact C-CD 3.4Å; G214-P216 VanDerWaalsContact O-CD 3.32Å; G214-P216 WeakPolarHBondContact O-CD 3.38Å; G214-E379 WeakPolarHBondContact CA-OE1 3.05Å
215M92.7Very high96.2Very high72 Ų7228 Ų2836%0.35516%0.158SC..  trans-121.266.4-176.4-64.8-63-74.800110.3I165 R168 D217 V251 E379I165-M215 HydrophobicContact CB-CE 4.32Å; I165-M215 HydrophobicContact CD1-CE 3.9Å; I165-M215 HydrophobicContact CG2-CE 4.05Å; R168-M215 HydrophobicContact CB-CE 4.33Å; R168-M215 HydrophobicContact CB-SD 4.47Å; R168-M215 VanDerWaalsContact CD-SD 3.56Å; R168-M215 HydrophobicContact CG-CE 4.36Å; R168-M215 HydrophobicContact CG-SD 3.9Å; M215-D217 PolarHBondContact O-N 2.86Å; M215-V251 HydrophobicContact CE-CG1 4.11Å; M215-E379 PolarHBondContact N-OE1 3.12Å
216P95.3Very high95.8Very high0 Ų037.3 Ų37.30%019%0.192CC..  trans-63134.7179.930.7-38.1000110.7R168 L212 G214 P252 M376 E379R168-P216 VanDerWaalsContact CZ-CD 3.48Å; R168-P216 VanDerWaalsContact NH2-CD 3.31Å; L212-P216 HydrophobicContact CB-CB 4.41Å; L212-P216 HydrophobicContact CB-CG 3.73Å; L212-P216 HydrophobicContact CD1-CB 3.9Å; L212-P216 HydrophobicContact CD1-CG 3.74Å; L212-P216 HydrophobicContact CG-CG 4.41Å; G214-P216 VanDerWaalsContact C-CD 3.4Å; G214-P216 VanDerWaalsContact O-CD 3.32Å; G214-P216 WeakPolarHBondContact O-CD 3.38Å; P216-P252 HydrophobicContact CG-CG 4.23Å; P216-P252 VanDerWaalsContact O-CD 3.32Å; P216-P252 WeakPolarHBondContact O-CD 3.49Å; P216-M376 HydrophobicContact CB-CG 3.86Å; P216-M376 HydrophobicContact CB-SD 3.82Å; P216-E379 HydrophobicContact CB-CG 4.16Å
217D95.7Very high95.5Very high38 Ų3838.6 Ų38.620%0.20320%0.199CC..EExtended strand (participates in β ladder)trans-102.7114.8169.9-166.3-29.5000108.1M215 R238 V251 M376 Y377M215-D217 PolarHBondContact O-N 2.86Å; D217-R238 IonicContact OD1-CZ 2.9Å; D217-R238 IonicContact OD1-NH1 3.71Å; D217-R238 PolarHBondContact OD1-NH1 2.82Å; D217-R238 IonicContact OD1-NH2 3.76Å; D217-R238 IonicContact OD2-CZ 3.76Å; D217-R238 VanDerWaalsContact OD2-CZ 3.25Å; D217-R238 IonicContact OD2-NH1 3.25Å; D217-R238 PolarHBondContact OD2-NH1 2.78Å; D217-R238 IonicContact OD2-NH2 3.99Å; D217-R238 PolarHBondContact OD2-NH2 3.3Å; D217-V251 HydrophobicContact CB-CG2 4.31Å; D217-M376 CarbonylContact O-C 3.59Å; D217-M376 WeakPolarHBondContact O-CA 3.28Å; D217-Y377 PolarHBondContact N-O 3.42Å; D217-Y377 WeakPolarHBondContact O-CD2 2.84Å; D217-Y377 PolarHBondContact O-N 2.93Å
218L97.8Very high95.3Very high1 Ų137.1 Ų37.11%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-100.6146.1-177.1-65.9178.8000111F181 I210 L212 S249 F250 P252 D375 M376F181-L218 HydrophobicContact CZ-CD1 4.27Å; I210-L218 HydrophobicContact CD1-CD1 4.38Å; L212-L218 HydrophobicContact CD1-CD1 4.15Å; L212-L218 HydrophobicContact CD1-CD2 4.26Å; L212-L218 HydrophobicContact CD1-CG 4.5Å; L218-S249 WeakPolarHBondContact O-CA 3.15Å; L218-F250 HydrophobicContact CB-CD2 4.3Å; L218-F250 HydrophobicContact CB-CE1 4.28Å; L218-F250 HydrophobicContact CB-CE2 3.91Å; L218-F250 HydrophobicContact CB-CZ 3.89Å; L218-F250 HydrophobicContact CD1-CE2 3.83Å; L218-F250 HydrophobicContact CD1-CZ 4.2Å; L218-F250 HydrophobicContact CG-CE2 4.48Å; L218-F250 PolarHBondContact N-O 2.87Å; L218-F250 PolarHBondContact O-N 2.87Å; L218-P252 HydrophobicContact CD1-CB 4.29Å; L218-P252 HydrophobicContact CD1-CG 3.67Å; L218-P252 HydrophobicContact CG-CG 4.25Å; L218-D375 WeakPolarHBondContact CA-O 3.39Å; L218-D375 WeakPolarHBondContact CD2-O 3.07Å; L218-M376 HydrophobicContact CD2-CB 3.64Å; L218-M376 HydrophobicContact CD2-CG 3.72Å
219T97.7Very high95Very high9 Ų940.8 Ų40.86%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-122.7137.4160.861.20000110.2V247 L248 V374 D375 Y377T219-V247 HydrophobicContact CG2-CG1 4.28Å; T219-L248 CarbonylContact C-O 3.45Å; T219-L248 WeakPolarHBondContact CA-O 3.47Å; T219-V374 CarbonylContact O-C 3.56Å; T219-V374 VanDerWaalsContact O-CA 3.24Å; T219-V374 WeakPolarHBondContact O-CA 3.23Å; T219-D375 PolarHBondContact N-O 2.72Å; T219-D375 PolarHBondContact O-N 3.11Å; T219-Y377 HydrophobicContact CG2-CD2 4.44Å; T219-Y377 HydrophobicContact CG2-CE2 3.82Å
220L97.9Very high94.8Very high1 Ų144.6 Ų44.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-129127.1174.9-176.5160.2000108.8F181 F222 L248 F250 L259 V371 R373 V374F181-L220 HydrophobicContact CD1-CD1 3.58Å; F181-L220 HydrophobicContact CE1-CD1 3.75Å; F181-L220 HydrophobicContact CG-CD1 4.12Å; F181-L220 HydrophobicContact CZ-CD1 4.4Å; L220-F222 HydrophobicContact CD2-CD1 4.4Å; L220-F222 HydrophobicContact CD2-CD2 4.1Å; L220-F222 HydrophobicContact CD2-CE1 4.01Å; L220-F222 HydrophobicContact CD2-CE2 3.69Å; L220-F222 HydrophobicContact CD2-CG 4.46Å; L220-F222 HydrophobicContact CD2-CZ 3.63Å; L220-L248 HydrophobicContact CB-CB 4.26Å; L220-L248 HydrophobicContact CB-CD1 4.47Å; L220-L248 HydrophobicContact CD2-CD1 3.95Å; L220-L248 PolarHBondContact N-O 2.71Å; L220-L248 WeakPolarHBondContact O-CB 3.41Å; L220-L248 PolarHBondContact O-N 2.95Å; L220-F250 HydrophobicContact CB-CE1 4.14Å; L220-L259 HydrophobicContact CD1-CD2 4.28Å; L220-V371 HydrophobicContact CD1-CG1 4.42Å; L220-V371 HydrophobicContact CD1-CG2 4.46Å; L220-V371 HydrophobicContact CD2-CG1 4.32Å; L220-V371 HydrophobicContact CD2-CG2 4.36Å; L220-V371 HydrophobicContact CG-CG1 4.07Å; L220-R373 WeakPolarHBondContact CA-O 3.34Å; L220-V374 HydrophobicContact CB-CG2 4.35Å; L220-V374 HydrophobicContact CD1-CG2 4.07Å; L220-V374 HydrophobicContact CG-CG2 3.99Å
221S97Very high94.8Very high29 Ų2946.9 Ų46.920%0.20324%0.242CC..EExtended strand (participates in β ladder)trans-120146.517663.70000111.1S372 R373S221-S372 WeakPolarHBondContact O-CB 3.38Å; S221-S372 PolarHBondContact O-N 3.1Å; S221-R373 PolarHBondContact N-O 2.87Å; S221-R373 PolarHBondContact O-N 2.92Å
222F96.7Very high94.8Very high11 Ų1146.3 Ų46.35%0.04825%0.248CC..EExtended strand (participates in β ladder)trans-97.3150.4173.1-63.4-80.8000110.4V206 L220 N224 F228 L248 M260 V369 K370 V371V206-F222 HydrophobicContact CG2-CZ 4.31Å; L220-F222 HydrophobicContact CD2-CD1 4.4Å; L220-F222 HydrophobicContact CD2-CD2 4.1Å; L220-F222 HydrophobicContact CD2-CE1 4.01Å; L220-F222 HydrophobicContact CD2-CE2 3.69Å; L220-F222 HydrophobicContact CD2-CG 4.46Å; L220-F222 HydrophobicContact CD2-CZ 3.63Å; F222-N224 VanDerWaalsContact C-N 3.3Å; F222-N224 PolarHBondContact O-N 2.82Å; F222-F228 HydrophobicContact CB-CE2 4.32Å; F222-F228 HydrophobicContact CD1-CE2 4.4Å; F222-F228 AromaticContact CD1-CZ 3.97Å; F222-F228 HydrophobicContact CD1-CZ 3.97Å; F222-F228 AromaticContact CD2-CE2 3.57Å; F222-F228 HydrophobicContact CD2-CE2 3.57Å; F222-F228 AromaticContact CD2-CZ 3.89Å; F222-F228 HydrophobicContact CD2-CZ 3.89Å; F222-F228 HydrophobicContact CE1-CZ 4.03Å; F222-F228 AromaticContact CE2-CE2 3.88Å; F222-F228 HydrophobicContact CE2-CE2 3.88Å; F222-F228 AromaticContact CE2-CZ 3.94Å; F222-F228 HydrophobicContact CE2-CZ 3.94Å; F222-F228 AromaticContact CG-CE2 3.84Å; F222-F228 HydrophobicContact CG-CE2 3.84Å; F222-F228 AromaticContact CG-CZ 3.88Å; F222-F228 HydrophobicContact CG-CZ 3.88Å; F222-F228 HydrophobicContact CZ-CE2 4.42Å; F222-F228 HydrophobicContact CZ-CZ 4.01Å; F222-L248 HydrophobicContact CE2-CD1 3.89Å; F222-L248 HydrophobicContact CE2-CG 4.35Å; F222-L248 HydrophobicContact CZ-CD1 4.34Å; F222-M260 HydrophobicContact CE2-CE 4.29Å; F222-M260 HydrophobicContact CE2-SD 3.63Å; F222-M260 HydrophobicContact CZ-CE 4.41Å; F222-M260 HydrophobicContact CZ-SD 3.54Å; F222-M260 VanDerWaalsContact CZ-SD 3.54Å; F222-V369 HydrophobicContact CD1-CG1 3.79Å; F222-V369 HydrophobicContact CE1-CG1 3.85Å; F222-K370 CarbonylContact C-O 3.49Å; F222-K370 WeakPolarHBondContact CA-O 3.37Å; F222-V371 HydrophobicContact CD1-CG2 4.35Å; F222-V371 HydrophobicContact CE1-CG2 4.08Å
223V96Very high94.9Very high93 Ų9348 Ų4856%0.56426%0.256SS*.SBendtrans-61.3-42.2176.3173.80000110.8K370V223-K370 HydrophobicContact CB-CB 4.32Å; V223-K370 HydrophobicContact CG2-CB 3.92Å; V223-K370 HydrophobicContact CG2-CD 4.22Å; V223-K370 HydrophobicContact CG2-CG 4.03Å; V223-K370 PolarHBondContact N-O 3.47Å
224N93.3Very high94.9Very high67 Ų6749 Ų4936%0.35826%0.258SS..  trans-13590.4175.2-175.111.2000110.4F222 R226 L227F222-N224 VanDerWaalsContact C-N 3.3Å; F222-N224 PolarHBondContact O-N 2.82Å; N224-R226 PolarHBondContact O-N 3Å; N224-R226 WeakPolarHBondContact OD1-CB 3.25Å; N224-R226 PolarHBondContact OD1-N 3.44Å; N224-L227 HydrophobicContact CB-CD1 4.17Å; N224-L227 HydrophobicContact CB-CG 4.11Å; N224-L227 WeakPolarHBondContact O-CG 3.46Å; N224-L227 PolarHBondContact O-N 2.77Å
225P92.8Very high95Very high31 Ų3152 Ų5220%0.20127%0.274CS..G310 helixtrans-71-8.5178.629-34.5000113.3L227 F228 W242 R246P225-L227 PolarHBondContact O-N 2.93Å; P225-F228 VanDerWaalsContact O-CD2 3.25Å; P225-F228 WeakPolarHBondContact O-CD2 3.43Å; P225-W242 HydrophobicContact CB-CH2 4.08Å; P225-R246 HydrophobicContact CB-CB 3.89Å; P225-R246 HydrophobicContact CB-CG 4.45Å; P225-R246 HydrophobicContact CG-CB 3.71Å; P225-R246 HydrophobicContact CG-CG 4.22Å
226R90.7Very high95.1Very high223 Ų22348.7 Ų48.784%0.84226%0.259SS*.G310 helixtrans-77.7-5.3177.3-55.7-178.7-178.1179.3-0113.4N224N224-R226 PolarHBondContact O-N 3Å; N224-R226 WeakPolarHBondContact OD1-CB 3.25Å; N224-R226 PolarHBondContact OD1-N 3.44Å
227L90.7Very high95.2Very high28 Ų2849.1 Ų49.115%0.14726%0.261CS..G310 helixtrans-68.9-25.6174.5-66.8174.9000111.9N224 P225 I264 V369N224-L227 HydrophobicContact CB-CD1 4.17Å; N224-L227 HydrophobicContact CB-CG 4.11Å; N224-L227 WeakPolarHBondContact O-CG 3.46Å; N224-L227 PolarHBondContact O-N 2.77Å; P225-L227 PolarHBondContact O-N 2.93Å; L227-I264 HydrophobicContact CB-CD1 4.28Å; L227-I264 WeakPolarHBondContact O-CG1 3.36Å; L227-I264 WeakPolarHBondContact O-CG2 3.32Å; L227-V369 HydrophobicContact CB-CG2 4.34Å; L227-V369 HydrophobicContact CD1-CG2 3.93Å
228F92.9Very high95.3Very high20 Ų2052 Ų529%0.08827%0.269CS..  trans-82121.4-178-48.8-59000110.2F222 P225 V231 W242 M260 F262 I264 V369F222-F228 HydrophobicContact CB-CE2 4.32Å; F222-F228 HydrophobicContact CD1-CE2 4.4Å; F222-F228 AromaticContact CD1-CZ 3.97Å; F222-F228 HydrophobicContact CD1-CZ 3.97Å; F222-F228 AromaticContact CD2-CE2 3.57Å; F222-F228 HydrophobicContact CD2-CE2 3.57Å; F222-F228 AromaticContact CD2-CZ 3.89Å; F222-F228 HydrophobicContact CD2-CZ 3.89Å; F222-F228 HydrophobicContact CE1-CZ 4.03Å; F222-F228 AromaticContact CE2-CE2 3.88Å; F222-F228 HydrophobicContact CE2-CE2 3.88Å; F222-F228 AromaticContact CE2-CZ 3.94Å; F222-F228 HydrophobicContact CE2-CZ 3.94Å; F222-F228 AromaticContact CG-CE2 3.84Å; F222-F228 HydrophobicContact CG-CE2 3.84Å; F222-F228 AromaticContact CG-CZ 3.88Å; F222-F228 HydrophobicContact CG-CZ 3.88Å; F222-F228 HydrophobicContact CZ-CE2 4.42Å; F222-F228 HydrophobicContact CZ-CZ 4.01Å; P225-F228 VanDerWaalsContact O-CD2 3.25Å; P225-F228 WeakPolarHBondContact O-CD2 3.43Å; F228-V231 HydrophobicContact CB-CG1 3.58Å; F228-V231 HydrophobicContact CD2-CG1 4.27Å; F228-V231 HydrophobicContact CG-CG1 3.93Å; F228-W242 HydrophobicContact CD2-CH2 4.12Å; F228-W242 HydrophobicContact CD2-CZ2 4.47Å; F228-W242 HydrophobicContact CE2-CH2 4.3Å; F228-M260 HydrophobicContact CE1-CE 4.43Å; F228-M260 HydrophobicContact CE2-CE 4.4Å; F228-M260 HydrophobicContact CZ-CE 4.27Å; F228-F262 HydrophobicContact CD1-CB 3.55Å; F228-F262 AromaticContact CD1-CD2 3.76Å; F228-F262 HydrophobicContact CD1-CD2 3.76Å; F228-F262 AromaticContact CD1-CG 3.71Å; F228-F262 HydrophobicContact CD1-CG 3.71Å; F228-F262 HydrophobicContact CE1-CB 3.93Å; F228-F262 HydrophobicContact CE1-CD1 4.03Å; F228-F262 AromaticContact CE1-CD2 3.72Å; F228-F262 HydrophobicContact CE1-CD2 3.72Å; F228-F262 HydrophobicContact CE1-CE1 4.46Å; F228-F262 HydrophobicContact CE1-CE2 4.18Å; F228-F262 AromaticContact CE1-CG 3.62Å; F228-F262 HydrophobicContact CE1-CG 3.62Å; F228-F262 HydrophobicContact CG-CB 4.32Å; F228-I264 HydrophobicContact CD1-CD1 4.34Å; F228-I264 HydrophobicContact CD1-CG1 4.38Å; F228-V369 HydrophobicContact CD1-CG2 4.33Å; F228-V369 HydrophobicContact CE1-CG1 4.16Å; F228-V369 HydrophobicContact CE1-CG2 3.48Å; F228-V369 VanDerWaalsContact CE1-CG2 3.48Å; F228-V369 HydrophobicContact CZ-CG1 3.99Å; F228-V369 HydrophobicContact CZ-CG2 3.9Å
229D92.1Very high95.2Very high82 Ų8256.5 Ų56.544%0.43929%0.293SS..SBendtrans-80.4-49.1171.5-69.3-44.1000109.6H263 G265D229-H263 PolarHBondContact N-O 2.52Å; D229-G265 WeakPolarHBondContact OD2-CA 3.44Å; D229-G265 PolarHBondContact OD2-N 2.79Å
230D93.7Very high95.1Very high112 Ų11264.6 Ų64.660%0.59933%0.327SS*.EExtended strand (participates in β ladder)trans-128.6147.1175-68-54.9000111.5F262 H263D230-F262 CarbonylContact O-C 3.6Å; D230-F262 VanDerWaalsContact O-CA 3.31Å; D230-F262 WeakPolarHBondContact O-CA 3.44Å; D230-H263 HydrophobicContact CB-CB 4.28Å; D230-H263 PolarHBondContact N-O 2.56Å; D230-H263 PolarHBondContact O-N 3.05Å
231V96.4Very high95Very high49 Ų4969.1 Ų69.130%0.29734%0.344SS..EExtended strand (participates in β ladder)trans-139.3140.8178.9-670000110.7F228 F233 W242 M260 T261 F262F228-V231 HydrophobicContact CB-CG1 3.58Å; F228-V231 HydrophobicContact CD2-CG1 4.27Å; F228-V231 HydrophobicContact CG-CG1 3.93Å; V231-F233 HydrophobicContact CB-CE1 4.14Å; V231-F233 HydrophobicContact CB-CE2 4.11Å; V231-F233 HydrophobicContact CB-CZ 3.66Å; V231-F233 HydrophobicContact CG1-CZ 4.33Å; V231-F233 HydrophobicContact CG2-CE1 4.34Å; V231-F233 HydrophobicContact CG2-CE2 3.5Å; V231-F233 HydrophobicContact CG2-CZ 3.39Å; V231-W242 HydrophobicContact CG1-CZ2 4.41Å; V231-W242 HydrophobicContact CG2-CZ2 4.39Å; V231-M260 HydrophobicContact CB-CE 4.46Å; V231-M260 HydrophobicContact CG1-CE 3.89Å; V231-T261 WeakPolarHBondContact CA-O 3.15Å; V231-F262 HydrophobicContact CG1-CB 4.18Å
232S97.2Very high95Very high71 Ų7168.4 Ų68.450%0.49734%0.337SS..EExtended strand (participates in β ladder)trans-125.2142.9166-176.60000109.4M260 T261S232-M260 CarbonylContact O-C 3.45Å; S232-M260 WeakPolarHBondContact O-CA 3.29Å; S232-M260 WeakPolarHBondContact O-CB 3.41Å; S232-T261 WeakPolarHBondContact CB-OG1 3.28Å; S232-T261 PolarHBondContact N-O 3.44Å; S232-T261 PolarHBondContact O-N 3.46Å
233F97.9Very high94.9Very high36 Ų3674.1 Ų74.116%0.15836%0.364CS..EExtended strand (participates in β ladder)trans-121.2148.3-170.8-61.7-61.3000111.9V231 V237 L239 W242 L248 M260V231-F233 HydrophobicContact CB-CE1 4.14Å; V231-F233 HydrophobicContact CB-CE2 4.11Å; V231-F233 HydrophobicContact CB-CZ 3.66Å; V231-F233 HydrophobicContact CG1-CZ 4.33Å; V231-F233 HydrophobicContact CG2-CE1 4.34Å; V231-F233 HydrophobicContact CG2-CE2 3.5Å; V231-F233 HydrophobicContact CG2-CZ 3.39Å; F233-V237 HydrophobicContact CB-CB 3.89Å; F233-V237 HydrophobicContact CB-CG1 4.31Å; F233-V237 HydrophobicContact CB-CG2 4.03Å; F233-V237 HydrophobicContact CD1-CG1 4.25Å; F233-V237 HydrophobicContact CD1-CG2 4.32Å; F233-V237 HydrophobicContact CG-CB 4.24Å; F233-V237 HydrophobicContact CG-CG1 4.11Å; F233-V237 HydrophobicContact CG-CG2 4.42Å; F233-L239 HydrophobicContact CB-CD2 4.35Å; F233-L239 HydrophobicContact CD2-CD2 3.52Å; F233-L239 HydrophobicContact CE2-CD2 4.29Å; F233-L239 HydrophobicContact CG-CD2 4.31Å; F233-W242 HydrophobicContact CE1-CD2 4.5Å; F233-W242 AromaticContact CE2-CD1 3.46Å; F233-W242 VanDerWaalsContact CE2-CD1 3.46Å; F233-W242 HydrophobicContact CE2-CD2 4.2Å; F233-W242 AromaticContact CE2-CG 3.84Å; F233-W242 HydrophobicContact CE2-CG 3.84Å; F233-W242 AromaticContact CE2-NE1 3.58Å; F233-W242 AromaticContact CZ-CD1 3.7Å; F233-W242 AromaticContact CZ-CD2 3.65Å; F233-W242 HydrophobicContact CZ-CD2 3.65Å; F233-W242 AromaticContact CZ-CE2 3.48Å; F233-W242 VanDerWaalsContact CZ-CE2 3.48Å; F233-W242 HydrophobicContact CZ-CE3 4.33Å; F233-W242 AromaticContact CZ-CG 3.79Å; F233-W242 HydrophobicContact CZ-CG 3.79Å; F233-W242 HydrophobicContact CZ-CZ2 4Å; F233-W242 AromaticContact CZ-NE1 3.48Å; F233-L248 HydrophobicContact CD1-CD2 3.82Å; F233-L248 HydrophobicContact CE1-CD2 3.32Å; F233-L248 HydrophobicContact CZ-CD2 3.96Å; F233-M260 HydrophobicContact CD1-CB 3.7Å; F233-M260 HydrophobicContact CE1-CB 3.99Å; F233-M260 HydrophobicContact CE1-CE 4.05Å; F233-M260 HydrophobicContact CE1-SD 4.24Å
234H96.3Very high94.9Very high38 Ų3873.3 Ų73.318%0.17637%0.367CS..  trans-58.4144.5162.3-166.5-91.7000110.1C236 V237 P253 F257 R258 L259H234-C236 WeakPolarHBondContact ND1-CB 3.49Å; H234-C236 PolarHBondContact ND1-N 3.42Å; H234-C236 VanDerWaalsContact ND1-N 3.15Å; H234-C236 PolarHBondContact ND1-SG 3.09Å; H234-C236 PolarHBondContact O-N 2.79Å; H234-V237 PolarHBondContact O-N 2.81Å; H234-P253 VanDerWaalsContact CE1-CG 3.45Å; H234-P253 WeakPolarHBondContact CE1-CG 3.36Å; H234-F257 HydrophobicContact CB-CD2 4.44Å; H234-F257 HydrophobicContact CB-CE2 4.49Å; H234-F257 AromaticContact CD2-CD2 3.91Å; H234-F257 AromaticContact CG-CD2 3.97Å; H234-R258 WeakPolarHBondContact CB-O 3.1Å; H234-R258 PolarHBondContact CD2-O 3.31Å; H234-L259 WeakPolarHBondContact CB-O 3.33Å; H234-L259 PolarHBondContact N-O 3.04Å
235P93.9Very high95Very high81 Ų8175 Ų7553%0.52638%0.376SS..THydrogen-bonded Turntrans-52.9-19176.3-30.136.1000115.2W167 V237W167-P235 HydrophobicContact CE3-CB 4.18Å; W167-P235 WeakPolarHBondContact CH2-O 3.44Å; W167-P235 HydrophobicContact CZ3-CB 4.11Å; W167-P235 WeakPolarHBondContact CZ3-O 3.24Å; P235-V237 PolarHBondContact O-N 2.74Å
236C95.7Very high95.1Very high3 Ų379.4 Ų79.42%0.0239%0.389CS..THydrogen-bonded Turntrans-69.8-17.6177.171.10000114.5W167 H234 F250 V251W167-C236 HydrophobicContact CD2-CB 3.88Å; W167-C236 HydrophobicContact CG-CB 4.2Å; W167-C236 HydrophobicContact CH2-CB 4.48Å; W167-C236 VanDerWaalsContact CZ2-CA 3.41Å; W167-C236 HydrophobicContact CZ2-CB 3.76Å; W167-C236 VanDerWaalsContact NE1-CB 3.33Å; H234-C236 WeakPolarHBondContact ND1-CB 3.49Å; H234-C236 PolarHBondContact ND1-N 3.42Å; H234-C236 VanDerWaalsContact ND1-N 3.15Å; H234-C236 PolarHBondContact ND1-SG 3.09Å; H234-C236 PolarHBondContact O-N 2.79Å; C236-F250 HydrophobicContact CB-CB 4.21Å; C236-F250 VanDerWaalsContact O-CA 3.25Å; C236-F250 WeakPolarHBondContact O-CA 3.49Å; C236-F250 WeakPolarHBondContact O-CB 3.33Å; C236-V251 WeakPolarHBondContact CB-O 3.49Å
237V97.6Very high95.4Very high8 Ų870.2 Ų70.25%0.04836%0.357CS..BIsolated β-bridgetrans-80.8127.1-179.1-1790000110.6F233 H234 P235 L239 L248 F250 L259F233-V237 HydrophobicContact CB-CB 3.89Å; F233-V237 HydrophobicContact CB-CG1 4.31Å; F233-V237 HydrophobicContact CB-CG2 4.03Å; F233-V237 HydrophobicContact CD1-CG1 4.25Å; F233-V237 HydrophobicContact CD1-CG2 4.32Å; F233-V237 HydrophobicContact CG-CB 4.24Å; F233-V237 HydrophobicContact CG-CG1 4.11Å; F233-V237 HydrophobicContact CG-CG2 4.42Å; H234-V237 PolarHBondContact O-N 2.81Å; P235-V237 PolarHBondContact O-N 2.74Å; V237-L239 PolarHBondContact O-N 2.73Å; V237-L248 HydrophobicContact CG1-CD2 4.02Å; V237-F250 HydrophobicContact CG2-CB 4.35Å; V237-L259 HydrophobicContact CG2-CD1 3.65Å
238R96.8Very high95.7Very high98 Ų9868.9 Ų68.937%0.3735%0.35SS..  trans-7692.9175.2-61.6174-173.7131-5.8110D217 K240 R241 W242 S249D217-R238 IonicContact OD1-CZ 2.9Å; D217-R238 IonicContact OD1-NH1 3.71Å; D217-R238 PolarHBondContact OD1-NH1 2.82Å; D217-R238 IonicContact OD1-NH2 3.76Å; D217-R238 IonicContact OD2-CZ 3.76Å; D217-R238 VanDerWaalsContact OD2-CZ 3.25Å; D217-R238 IonicContact OD2-NH1 3.25Å; D217-R238 PolarHBondContact OD2-NH1 2.78Å; D217-R238 IonicContact OD2-NH2 3.99Å; D217-R238 PolarHBondContact OD2-NH2 3.3Å; R238-K240 VanDerWaalsContact C-N 3.31Å; R238-K240 PolarHBondContact O-N 2.77Å; R238-R241 HydrophobicContact CB-CB 4.35Å; R238-R241 PolarHBondContact O-N 2.72Å; R238-W242 PolarHBondContact O-N 2.7Å; R238-S249 WeakPolarHBondContact CB-O 3.27Å; R238-S249 WeakPolarHBondContact CG-O 3.49Å; R238-S249 PolarHBondContact N-O 3.34Å; R238-S249 PolarHBondContact NH1-OG 2.86Å
239L95.8Very high95.9Very high97 Ų9768 Ų6851%0.50835%0.346SS..Hα-helixtrans-50.8-45-175.8-63179.6000113.8F233 V237 R241 W242 E243F233-L239 HydrophobicContact CB-CD2 4.35Å; F233-L239 HydrophobicContact CD2-CD2 3.52Å; F233-L239 HydrophobicContact CE2-CD2 4.29Å; F233-L239 HydrophobicContact CG-CD2 4.31Å; V237-L239 PolarHBondContact O-N 2.73Å; L239-R241 PolarHBondContact O-N 3.28Å; L239-R241 VanDerWaalsContact O-N 3.13Å; L239-W242 WeakPolarHBondContact O-CA 3.25Å; L239-W242 WeakPolarHBondContact O-CB 3.27Å; L239-W242 PolarHBondContact O-N 3.34Å; L239-E243 WeakPolarHBondContact O-CG 3.41Å; L239-E243 PolarHBondContact O-N 2.95Å
240K96Very high96.2Very high179 Ų17964 Ų6478%0.77833%0.325SS*.Hα-helixtrans-55.2-35.6178.7-66.8-174.3178.1-178.70113.2R238 A244R238-K240 VanDerWaalsContact C-N 3.31Å; R238-K240 PolarHBondContact O-N 2.77Å; K240-A244 WeakPolarHBondContact O-CB 3.43Å; K240-A244 PolarHBondContact O-N 2.71Å; K240-A244 VanDerWaalsContact O-N 3.17Å
241R96Very high96.3Very high96 Ų9659.1 Ų59.136%0.36230%0.299SS..Hα-helixtrans-78.1-34.2179.2-172.4157.5178.4-1669.5111.9R238 L239 D245 S249R238-R241 HydrophobicContact CB-CB 4.35Å; R238-R241 PolarHBondContact O-N 2.72Å; L239-R241 PolarHBondContact O-N 3.28Å; L239-R241 VanDerWaalsContact O-N 3.13Å; R241-D245 PolarHBondContact O-N 2.91Å; R241-S249 VanDerWaalsContact CD-CB 3.47Å; R241-S249 PolarHBondContact NH1-OG 3.36Å
242W96.7Very high96.3Very high13 Ų1356.8 Ų56.85%0.04929%0.285CS..Hα-helixtrans-62.6-45.1169.8170.9-105.1000111.6P225 F228 V231 F233 R238 L239 A244 R246 L248P225-W242 HydrophobicContact CB-CH2 4.08Å; F228-W242 HydrophobicContact CD2-CH2 4.12Å; F228-W242 HydrophobicContact CD2-CZ2 4.47Å; F228-W242 HydrophobicContact CE2-CH2 4.3Å; V231-W242 HydrophobicContact CG1-CZ2 4.41Å; V231-W242 HydrophobicContact CG2-CZ2 4.39Å; F233-W242 HydrophobicContact CE1-CD2 4.5Å; F233-W242 AromaticContact CE2-CD1 3.46Å; F233-W242 VanDerWaalsContact CE2-CD1 3.46Å; F233-W242 HydrophobicContact CE2-CD2 4.2Å; F233-W242 AromaticContact CE2-CG 3.84Å; F233-W242 HydrophobicContact CE2-CG 3.84Å; F233-W242 AromaticContact CE2-NE1 3.58Å; F233-W242 AromaticContact CZ-CD1 3.7Å; F233-W242 AromaticContact CZ-CD2 3.65Å; F233-W242 HydrophobicContact CZ-CD2 3.65Å; F233-W242 AromaticContact CZ-CE2 3.48Å; F233-W242 VanDerWaalsContact CZ-CE2 3.48Å; F233-W242 HydrophobicContact CZ-CE3 4.33Å; F233-W242 AromaticContact CZ-CG 3.79Å; F233-W242 HydrophobicContact CZ-CG 3.79Å; F233-W242 HydrophobicContact CZ-CZ2 4Å; F233-W242 AromaticContact CZ-NE1 3.48Å; R238-W242 PolarHBondContact O-N 2.7Å; L239-W242 WeakPolarHBondContact O-CA 3.25Å; L239-W242 WeakPolarHBondContact O-CB 3.27Å; L239-W242 PolarHBondContact O-N 3.34Å; W242-A244 PolarHBondContact O-N 2.84Å; W242-R246 VanDerWaalsContact CE3-C 3.49Å; W242-R246 HydrophobicContact CZ3-CB 4.35Å; W242-R246 WeakPolarHBondContact CZ3-O 3.08Å; W242-R246 WeakPolarHBondContact O-CA 3.48Å; W242-R246 WeakPolarHBondContact O-CD 3.39Å; W242-R246 PolarHBondContact O-N 3.33Å; W242-L248 HydrophobicContact CD2-CD2 4.18Å; W242-L248 HydrophobicContact CE3-CD2 3.56Å; W242-L248 HydrophobicContact CE3-CG 4.24Å; W242-L248 HydrophobicContact CZ3-CD2 3.9Å; W242-L248 HydrophobicContact CZ3-CG 4.3Å
243E95.4Very high96.2Very high132 Ų13253.7 Ų53.762%0.61726%0.263SS*.Hα-helixtrans-63.2-41.6180-70.8171.616500112.6L239L239-E243 WeakPolarHBondContact O-CG 3.41Å; L239-E243 PolarHBondContact O-N 2.95Å
244A95.8Very high96Very high76 Ų7652.3 Ų52.363%0.62826%0.258SS*.Hα-helixtrans-74.8-51.4-17900000112.9K240 W242K240-A244 WeakPolarHBondContact O-CB 3.43Å; K240-A244 PolarHBondContact O-N 2.71Å; K240-A244 VanDerWaalsContact O-N 3.17Å; W242-A244 PolarHBondContact O-N 2.84Å
245D94.6Very high95.8Very high101 Ų10151.5 Ų51.554%0.5426%0.259SS..Hα-helixtrans-112.6-7.9-164.9-56.1-35.2000113.4R241 V247R241-D245 PolarHBondContact O-N 2.91Å; D245-V247 HydrophobicContact CB-CB 4.3Å; D245-V247 HydrophobicContact CB-CG2 4.02Å; D245-V247 PolarHBondContact O-N 2.99Å
246R95.1Very high95.8Very high125 Ų12558.3 Ų58.347%0.47227%0.274SS..SBendtrans54.836.4-168.5-55.8-63.4-177-169.83.6113P225 W242P225-R246 HydrophobicContact CB-CB 3.89Å; P225-R246 HydrophobicContact CB-CG 4.45Å; P225-R246 HydrophobicContact CG-CB 3.71Å; P225-R246 HydrophobicContact CG-CG 4.22Å; W242-R246 VanDerWaalsContact CE3-C 3.49Å; W242-R246 HydrophobicContact CZ3-CB 4.35Å; W242-R246 WeakPolarHBondContact CZ3-O 3.08Å; W242-R246 WeakPolarHBondContact O-CA 3.48Å; W242-R246 WeakPolarHBondContact O-CD 3.39Å; W242-R246 PolarHBondContact O-N 3.33Å
247V96Very high95.7Very high30 Ų3059.2 Ų59.218%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-115.2127.9176.1177.20000109.3T219 D245 S249T219-V247 HydrophobicContact CG2-CG1 4.28Å; D245-V247 HydrophobicContact CB-CB 4.3Å; D245-V247 HydrophobicContact CB-CG2 4.02Å; D245-V247 PolarHBondContact O-N 2.99Å; V247-S249 PolarHBondContact O-N 2.94Å
248L97.9Very high95.7Very high0 Ų064 Ų640%030%0.295CS..EExtended strand (participates in β ladder)trans-73.3118.1169-56.6-179.1000108T219 L220 F222 F233 V237 W242 F250 L259 M260T219-L248 CarbonylContact C-O 3.45Å; T219-L248 WeakPolarHBondContact CA-O 3.47Å; L220-L248 HydrophobicContact CB-CB 4.26Å; L220-L248 HydrophobicContact CB-CD1 4.47Å; L220-L248 HydrophobicContact CD2-CD1 3.95Å; L220-L248 PolarHBondContact N-O 2.71Å; L220-L248 WeakPolarHBondContact O-CB 3.41Å; L220-L248 PolarHBondContact O-N 2.95Å; F222-L248 HydrophobicContact CE2-CD1 3.89Å; F222-L248 HydrophobicContact CE2-CG 4.35Å; F222-L248 HydrophobicContact CZ-CD1 4.34Å; F233-L248 HydrophobicContact CD1-CD2 3.82Å; F233-L248 HydrophobicContact CE1-CD2 3.32Å; F233-L248 HydrophobicContact CZ-CD2 3.96Å; V237-L248 HydrophobicContact CG1-CD2 4.02Å; W242-L248 HydrophobicContact CD2-CD2 4.18Å; W242-L248 HydrophobicContact CE3-CD2 3.56Å; W242-L248 HydrophobicContact CE3-CG 4.24Å; W242-L248 HydrophobicContact CZ3-CD2 3.9Å; W242-L248 HydrophobicContact CZ3-CG 4.3Å; L248-F250 HydrophobicContact CB-CD1 4.05Å; L248-F250 HydrophobicContact CB-CE1 3.94Å; L248-L259 HydrophobicContact CD1-CD2 3.86Å; L248-L259 HydrophobicContact CD1-CG 4.29Å; L248-M260 HydrophobicContact CD1-SD 3.69Å
249S97.7Very high95.7Very high0 Ų059.3 Ų59.30%028%0.278CS..EExtended strand (participates in β ladder)trans-123.4124.5175-1790000109.4L218 R238 R241 V247L218-S249 WeakPolarHBondContact O-CA 3.15Å; R238-S249 WeakPolarHBondContact CB-O 3.27Å; R238-S249 WeakPolarHBondContact CG-O 3.49Å; R238-S249 PolarHBondContact N-O 3.34Å; R238-S249 PolarHBondContact NH1-OG 2.86Å; R241-S249 VanDerWaalsContact CD-CB 3.47Å; R241-S249 PolarHBondContact NH1-OG 3.36Å; V247-S249 PolarHBondContact O-N 2.94Å
250F97.6Very high95.9Very high0 Ų054.7 Ų54.70%025%0.254CS..EExtended strand (participates in β ladder)trans-160.7149.4-16955.3-79.9000112.3F181 L218 L220 C236 V237 L248 P252 F257 L259F181-F250 HydrophobicContact CE1-CZ 4.16Å; L218-F250 HydrophobicContact CB-CD2 4.3Å; L218-F250 HydrophobicContact CB-CE1 4.28Å; L218-F250 HydrophobicContact CB-CE2 3.91Å; L218-F250 HydrophobicContact CB-CZ 3.89Å; L218-F250 HydrophobicContact CD1-CE2 3.83Å; L218-F250 HydrophobicContact CD1-CZ 4.2Å; L218-F250 HydrophobicContact CG-CE2 4.48Å; L218-F250 PolarHBondContact N-O 2.87Å; L218-F250 PolarHBondContact O-N 2.87Å; L220-F250 HydrophobicContact CB-CE1 4.14Å; C236-F250 HydrophobicContact CB-CB 4.21Å; C236-F250 VanDerWaalsContact O-CA 3.25Å; C236-F250 WeakPolarHBondContact O-CA 3.49Å; C236-F250 WeakPolarHBondContact O-CB 3.33Å; V237-F250 HydrophobicContact CG2-CB 4.35Å; L248-F250 HydrophobicContact CB-CD1 4.05Å; L248-F250 HydrophobicContact CB-CE1 3.94Å; F250-P252 HydrophobicContact CD2-CB 3.95Å; F250-P252 HydrophobicContact CE2-CB 3.99Å; F250-F257 HydrophobicContact CE2-CZ 4.45Å; F250-L259 HydrophobicContact CD1-CD1 3.96Å; F250-L259 HydrophobicContact CD2-CD1 3.89Å; F250-L259 HydrophobicContact CE1-CD1 3.9Å; F250-L259 HydrophobicContact CE1-CD2 3.84Å; F250-L259 HydrophobicContact CE2-CD1 3.8Å; F250-L259 HydrophobicContact CE2-CD2 4.23Å; F250-L259 HydrophobicContact CG-CD1 3.98Å; F250-L259 HydrophobicContact CZ-CD1 3.82Å; F250-L259 HydrophobicContact CZ-CD2 3.58Å; F250-L259 HydrophobicContact CZ-CG 4.38Å
251V96.2Very high96Very high8 Ų848.7 Ų48.75%0.04823%0.232CC..  trans-93.4111.8160.7172.50000106.2I165 W167 R168 M215 D217 C236I165-V251 HydrophobicContact CD1-CB 4.26Å; I165-V251 HydrophobicContact CD1-CG1 4.32Å; I165-V251 HydrophobicContact CD1-CG2 4.06Å; I165-V251 HydrophobicContact CG2-CB 4.12Å; I165-V251 HydrophobicContact CG2-CG1 3.84Å; W167-V251 PolarHBondContact NE1-O 3.23Å; R168-V251 HydrophobicContact CB-CG1 4.4Å; R168-V251 VanDerWaalsContact CD-CG1 3.42Å; M215-V251 HydrophobicContact CE-CG1 4.11Å; D217-V251 HydrophobicContact CB-CG2 4.31Å; C236-V251 WeakPolarHBondContact CB-O 3.49Å
252P96.4Very high96Very high0 Ų044.5 Ų44.50%022%0.216CC..PPolyproline II helixtrans-71.8146.6-171.429.5-36.9000112.5R168 I210 P216 L218 F250 F257R168-P252 VanDerWaalsContact CD-O 3.24Å; R168-P252 WeakPolarHBondContact CD-O 3.3Å; R168-P252 PolarHBondContact NH1-O 2.93Å; I210-P252 HydrophobicContact CB-CB 4.42Å; I210-P252 HydrophobicContact CG1-CB 3.92Å; I210-P252 HydrophobicContact CG1-CG 4.38Å; I210-P252 HydrophobicContact CG2-CB 4.07Å; I210-P252 HydrophobicContact CG2-CG 3.75Å; P216-P252 HydrophobicContact CG-CG 4.23Å; P216-P252 VanDerWaalsContact O-CD 3.32Å; P216-P252 WeakPolarHBondContact O-CD 3.49Å; L218-P252 HydrophobicContact CD1-CB 4.29Å; L218-P252 HydrophobicContact CD1-CG 3.67Å; L218-P252 HydrophobicContact CG-CG 4.25Å; F250-P252 HydrophobicContact CD2-CB 3.95Å; F250-P252 HydrophobicContact CE2-CB 3.99Å; P252-F257 HydrophobicContact CB-CE1 3.85Å; P252-F257 HydrophobicContact CB-CZ 3.82Å
253P94.9Very high95.9Very high7 Ų745.5 Ų45.55%0.04522%0.221CC..PPolyproline II helixtrans-49.1150.5156-21.830.1000111.6W167 H234 F257W167-P253 HydrophobicContact CB-CG 4.05Å; W167-P253 HydrophobicContact CG-CG 4.12Å; W167-P253 WeakPolarHBondContact O-CA 3.01Å; H234-P253 VanDerWaalsContact CE1-CG 3.45Å; H234-P253 WeakPolarHBondContact CE1-CG 3.36Å; P253-F257 HydrophobicContact CB-CB 4.33Å; P253-F257 HydrophobicContact CB-CD1 3.85Å; P253-F257 HydrophobicContact CB-CE1 4.31Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.25Å; P253-F257 HydrophobicContact CG-CD1 3.92Å; P253-F257 HydrophobicContact CG-CD2 3.81Å; P253-F257 HydrophobicContact CG-CE1 4.21Å; P253-F257 HydrophobicContact CG-CE2 4.13Å; P253-F257 HydrophobicContact CG-CG 3.72Å; P253-F257 HydrophobicContact CG-CZ 4.34Å
254D92.7Very high95.8Very high7 Ų739.2 Ų39.24%0.03719%0.192CC..SBendtrans-76.2140.8169.6-168.352.8000110.5N128 R169 V172 Y174N128-D254 PolarHBondContact ND2-N 2.66Å; N128-D254 PolarHBondContact ND2-O 2.89Å; R169-D254 IonicContact CZ-OD2 2.83Å; R169-D254 IonicContact NE-OD2 3.5Å; R169-D254 IonicContact NH2-OD2 3.61Å; R169-D254 PolarHBondContact NH2-OD2 3.49Å; V172-D254 HydrophobicContact CG2-CB 4.47Å; Y174-D254 VanDerWaalsContact CE2-OD1 3.28Å; Y174-D254 WeakPolarHBondContact CE2-OD1 3.32Å; Y174-D254 PolarHBondContact OH-OD1 3.2Å; Y174-D254 VanDerWaalsContact OH-OD1 3.1Å; Y174-D254 PolarHBondContact OH-OD2 3.43Å; Y174-D254 VanDerWaalsContact OH-OD2 3.11Å
255G92.9Very high95.4Very high21 Ų2135.9 Ų35.922%0.21617%0.165CC..EExtended strand (participates in β ladder)trans83.2-144.4179.300000114.7I210I210-G255 PolarHBondContact N-O 2.85Å; I210-G255 WeakPolarHBondContact O-CA 3.19Å; I210-G255 PolarHBondContact O-N 3.14Å
256R93.4Very high94.2Very high223 Ų22334.2 Ų34.284%0.84216%0.162SC*.EExtended strand (participates in β ladder)trans-91.4131.2-176.4-66.4-178.1-179176.70.9110.7C208 C209C208-R256 VanDerWaalsContact O-CA 3.25Å; C208-R256 WeakPolarHBondContact O-CA 3.43Å; C209-R256 HydrophobicContact CB-CG 4.4Å
257F94.8Very high92.7Very high22 Ų2237.6 Ų37.610%0.09618%0.183CC..EExtended strand (participates in β ladder)trans-158.8159.5172.573.1-78.5000110.9C208 I210 H234 F250 P252 P253 L259C208-F257 HydrophobicContact CB-CD1 3.93Å; C208-F257 HydrophobicContact CB-CE1 3.5Å; C208-F257 VanDerWaalsContact CB-CE1 3.5Å; C208-F257 HydrophobicContact CB-CE2 4.42Å; C208-F257 HydrophobicContact CB-CZ 3.75Å; C208-F257 PolarHBondContact N-O 3.14Å; C208-F257 PolarHBondContact O-N 2.94Å; C208-F257 VanDerWaalsContact O-N 3.12Å; I210-F257 HydrophobicContact CB-CE1 4.47Å; I210-F257 HydrophobicContact CG1-CD1 4.49Å; I210-F257 HydrophobicContact CG1-CE1 3.6Å; I210-F257 HydrophobicContact CG1-CZ 4.41Å; H234-F257 HydrophobicContact CB-CD2 4.44Å; H234-F257 HydrophobicContact CB-CE2 4.49Å; H234-F257 AromaticContact CD2-CD2 3.91Å; H234-F257 AromaticContact CG-CD2 3.97Å; F250-F257 HydrophobicContact CE2-CZ 4.45Å; P252-F257 HydrophobicContact CB-CE1 3.85Å; P252-F257 HydrophobicContact CB-CZ 3.82Å; P253-F257 HydrophobicContact CB-CB 4.33Å; P253-F257 HydrophobicContact CB-CD1 3.85Å; P253-F257 HydrophobicContact CB-CE1 4.31Å; P253-F257 HydrophobicContact CB-CG 4.01Å; P253-F257 HydrophobicContact CG-CB 4.25Å; P253-F257 HydrophobicContact CG-CD1 3.92Å; P253-F257 HydrophobicContact CG-CD2 3.81Å; P253-F257 HydrophobicContact CG-CE1 4.21Å; P253-F257 HydrophobicContact CG-CE2 4.13Å; P253-F257 HydrophobicContact CG-CG 3.72Å; P253-F257 HydrophobicContact CG-CZ 4.34Å; F257-L259 HydrophobicContact CE2-CB 3.88Å; F257-L259 HydrophobicContact CE2-CD1 3.97Å; F257-L259 HydrophobicContact CZ-CB 4.44Å; F257-L259 HydrophobicContact CZ-CD1 4.39Å
258R96.6Very high91.1Very high108 Ų10837.9 Ų37.941%0.40819%0.186SC..EExtended strand (participates in β ladder)trans-86.3118.6171.7-177.5158.7-67.2179-1.6110.1F205 D207 H234 T261F205-R258 HydrophobicContact CB-CG 4.47Å; D207-R258 WeakPolarHBondContact OD1-CA 3.29Å; D207-R258 VanDerWaalsContact OD1-CB 3.28Å; D207-R258 WeakPolarHBondContact OD1-CB 3.35Å; D207-R258 WeakPolarHBondContact OD1-CG 3.48Å; D207-R258 IonicContact OD1-CZ 3.89Å; D207-R258 IonicContact OD1-NE 3.97Å; D207-R258 PolarHBondContact OD1-NE 3.17Å; D207-R258 IonicContact OD1-NH2 2.85Å; D207-R258 PolarHBondContact OD1-NH2 3Å; D207-R258 IonicContact OD2-NE 3.24Å; D207-R258 IonicContact OD2-NH2 2.8Å; D207-R258 PolarHBondContact OD2-NH2 3.3Å; H234-R258 WeakPolarHBondContact CB-O 3.1Å; H234-R258 PolarHBondContact CD2-O 3.31Å; R258-T261 HydrophobicContact CG-CG2 4.44Å
259L98.2Very high89.6Confident0 Ų049.3 Ų49.30%023%0.229CC..EExtended strand (participates in β ladder)trans-79.1-43.1179.6175.264.3000112.3F181 V206 C208 L220 H234 V237 L248 F250 F257F181-L259 HydrophobicContact CE1-CD2 4.44Å; V206-L259 HydrophobicContact CG1-CD2 4.45Å; V206-L259 PolarHBondContact O-N 2.74Å; C208-L259 VanDerWaalsContact SG-CB 3.56Å; L220-L259 HydrophobicContact CD1-CD2 4.28Å; H234-L259 WeakPolarHBondContact CB-O 3.33Å; H234-L259 PolarHBondContact N-O 3.04Å; V237-L259 HydrophobicContact CG2-CD1 3.65Å; L248-L259 HydrophobicContact CD1-CD2 3.86Å; L248-L259 HydrophobicContact CD1-CG 4.29Å; F250-L259 HydrophobicContact CD1-CD1 3.96Å; F250-L259 HydrophobicContact CD2-CD1 3.89Å; F250-L259 HydrophobicContact CE1-CD1 3.9Å; F250-L259 HydrophobicContact CE1-CD2 3.84Å; F250-L259 HydrophobicContact CE2-CD1 3.8Å; F250-L259 HydrophobicContact CE2-CD2 4.23Å; F250-L259 HydrophobicContact CG-CD1 3.98Å; F250-L259 HydrophobicContact CZ-CD1 3.82Å; F250-L259 HydrophobicContact CZ-CD2 3.58Å; F250-L259 HydrophobicContact CZ-CG 4.38Å; F257-L259 HydrophobicContact CE2-CB 3.88Å; F257-L259 HydrophobicContact CE2-CD1 3.97Å; F257-L259 HydrophobicContact CZ-CB 4.44Å; F257-L259 HydrophobicContact CZ-CD1 4.39Å
260M98.2Very high88.4Confident1 Ų149.9 Ų49.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-154154.2178.268.5-178.9-7500111.8F205 V206 F222 F228 V231 S232 F233 L248 F262F205-M260 CarbonylContact C-O 3.6Å; F205-M260 WeakPolarHBondContact CA-O 3.34Å; F205-M260 WeakPolarHBondContact CB-O 3.27Å; V206-M260 HydrophobicContact CB-CG 3.89Å; V206-M260 HydrophobicContact CG2-CG 3.65Å; V206-M260 HydrophobicContact CG2-SD 4.06Å; V206-M260 PolarHBondContact N-O 2.83Å; F222-M260 HydrophobicContact CE2-CE 4.29Å; F222-M260 HydrophobicContact CE2-SD 3.63Å; F222-M260 HydrophobicContact CZ-CE 4.41Å; F222-M260 HydrophobicContact CZ-SD 3.54Å; F222-M260 VanDerWaalsContact CZ-SD 3.54Å; F228-M260 HydrophobicContact CE1-CE 4.43Å; F228-M260 HydrophobicContact CE2-CE 4.4Å; F228-M260 HydrophobicContact CZ-CE 4.27Å; V231-M260 HydrophobicContact CB-CE 4.46Å; V231-M260 HydrophobicContact CG1-CE 3.89Å; S232-M260 CarbonylContact O-C 3.45Å; S232-M260 WeakPolarHBondContact O-CA 3.29Å; S232-M260 WeakPolarHBondContact O-CB 3.41Å; F233-M260 HydrophobicContact CD1-CB 3.7Å; F233-M260 HydrophobicContact CE1-CB 3.99Å; F233-M260 HydrophobicContact CE1-CE 4.05Å; F233-M260 HydrophobicContact CE1-SD 4.24Å; L248-M260 HydrophobicContact CD1-SD 3.69Å; M260-F262 HydrophobicContact CE-CB 3.92Å; M260-F262 HydrophobicContact CE-CD1 3.99Å; M260-F262 HydrophobicContact CE-CG 4.36Å
261T98.2Very high87.4Confident53 Ų5353 Ų5333%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-111151.5158.159.50000108.8G204 F205 V231 S232 R258G204-T261 CarbonylContact O-C 3.56Å; G204-T261 WeakPolarHBondContact O-CA 3.26Å; F205-T261 HydrophobicContact CB-CG2 4.08Å; V231-T261 WeakPolarHBondContact CA-O 3.15Å; S232-T261 WeakPolarHBondContact CB-OG1 3.28Å; S232-T261 PolarHBondContact N-O 3.44Å; S232-T261 PolarHBondContact O-N 3.46Å; R258-T261 HydrophobicContact CG-CG2 4.44Å
262F96.7Very high86.6Confident7 Ų753.9 Ų53.93%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-142.7154.7177.858.7-93.1000111.1V183 E185 G204 V206 F228 D230 V231 M260 I264 V369V183-F262 HydrophobicContact CG1-CE1 4.37Å; V183-F262 HydrophobicContact CG1-CZ 4.2Å; E185-F262 HydrophobicContact CG-CE2 4.18Å; E185-F262 HydrophobicContact CG-CZ 4Å; G204-F262 VanDerWaalsContact C-CE1 3.47Å; G204-F262 PolarHBondContact N-O 3.03Å; G204-F262 PolarHBondContact O-N 3.19Å; V206-F262 HydrophobicContact CG2-CE1 4.24Å; F228-F262 HydrophobicContact CD1-CB 3.55Å; F228-F262 AromaticContact CD1-CD2 3.76Å; F228-F262 HydrophobicContact CD1-CD2 3.76Å; F228-F262 AromaticContact CD1-CG 3.71Å; F228-F262 HydrophobicContact CD1-CG 3.71Å; F228-F262 HydrophobicContact CE1-CB 3.93Å; F228-F262 HydrophobicContact CE1-CD1 4.03Å; F228-F262 AromaticContact CE1-CD2 3.72Å; F228-F262 HydrophobicContact CE1-CD2 3.72Å; F228-F262 HydrophobicContact CE1-CE1 4.46Å; F228-F262 HydrophobicContact CE1-CE2 4.18Å; F228-F262 AromaticContact CE1-CG 3.62Å; F228-F262 HydrophobicContact CE1-CG 3.62Å; F228-F262 HydrophobicContact CG-CB 4.32Å; D230-F262 CarbonylContact O-C 3.6Å; D230-F262 VanDerWaalsContact O-CA 3.31Å; D230-F262 WeakPolarHBondContact O-CA 3.44Å; V231-F262 HydrophobicContact CG1-CB 4.18Å; M260-F262 HydrophobicContact CE-CB 3.92Å; M260-F262 HydrophobicContact CE-CD1 3.99Å; M260-F262 HydrophobicContact CE-CG 4.36Å; F262-I264 HydrophobicContact CD2-CD1 4.05Å; F262-I264 HydrophobicContact CD2-CG1 4.06Å; F262-I264 HydrophobicContact CE2-CD1 4.04Å; F262-I264 HydrophobicContact CE2-CG1 4.48Å; F262-V369 HydrophobicContact CE2-CG2 4.47Å
263H95.2Very high85.8Confident34 Ų3453.9 Ų53.916%0.15726%0.258CS..EExtended strand (participates in β ladder)trans-125.7141.6172.4172.2-106.1000109.6E201 I202 H203 D229 D230E201-H263 IonicContact OE1-NE2 3.23Å; E201-H263 IonicContact OE2-CD2 3.82Å; E201-H263 IonicContact OE2-CE1 2.87Å; E201-H263 IonicContact OE2-NE2 2.82Å; E201-H263 PolarHBondContact OE2-NE2 3Å; I202-H263 WeakPolarHBondContact O-CA 3.33Å; H203-H263 AromaticContact CE1-CD2 3.35Å; H203-H263 PolarHBondContact CE1-CD2 3.24Å; H203-H263 AromaticContact CE1-NE2 3.96Å; H203-H263 AromaticContact ND1-CD2 3.56Å; D229-H263 PolarHBondContact N-O 2.52Å; D230-H263 HydrophobicContact CB-CB 4.28Å; D230-H263 PolarHBondContact N-O 2.56Å; D230-H263 PolarHBondContact O-N 3.05Å
264I92.6Very high85.1Confident1 Ų153.6 Ų53.61%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-131.6105.1176.8-52.9179000105.8I202 L227 F228 F262 V369I202-I264 HydrophobicContact CB-CB 4.2Å; I202-I264 PolarHBondContact N-O 3.43Å; I202-I264 PolarHBondContact O-N 2.88Å; L227-I264 HydrophobicContact CB-CD1 4.28Å; L227-I264 WeakPolarHBondContact O-CG1 3.36Å; L227-I264 WeakPolarHBondContact O-CG2 3.32Å; F228-I264 HydrophobicContact CD1-CD1 4.34Å; F228-I264 HydrophobicContact CD1-CG1 4.38Å; F262-I264 HydrophobicContact CD2-CD1 4.05Å; F262-I264 HydrophobicContact CD2-CG1 4.06Å; F262-I264 HydrophobicContact CE2-CD1 4.04Å; F262-I264 HydrophobicContact CE2-CG1 4.48Å; I264-V369 HydrophobicContact CD1-CG2 3.8Å
265G86.8Confident84.6Confident6 Ų656.8 Ų56.86%0.06227%0.271CS..  trans-77.4176.2-176.400000113.7D229 Q267 S268D229-G265 WeakPolarHBondContact OD2-CA 3.44Å; D229-G265 PolarHBondContact OD2-N 2.79Å; G265-Q267 PolarHBondContact O-N 3.46Å; G265-S268 PolarHBondContact O-N 2.88Å; G265-S268 VanDerWaalsContact O-N 3.12Å
266S69.9Low84Confident66 Ų6656 Ų5646%0.46226%0.261SS..THydrogen-bonded Turntrans-67.1-8.7-168.3-174.90000115.7G200G200-S266 VanDerWaalsContact O-CA 3.27Å; G200-S266 WeakPolarHBondContact O-CA 3.39Å
267Q64.9Low83.5Confident195 Ų19553.7 Ų53.791%0.91125%0.253SS*.THydrogen-bonded Turntrans-72.7-22.3173.9-62.5-168.210.900112.2G265G265-Q267 PolarHBondContact O-N 3.46Å
268S61.7Low82.8Confident37 Ų3754.4 Ų54.426%0.25926%0.256SS..SBendtrans-78.5139.5169.7-76.60000109.9G265 V270G265-S268 PolarHBondContact O-N 2.88Å; G265-S268 VanDerWaalsContact O-N 3.12Å; S268-V270 PolarHBondContact O-N 2.81Å
269R66.2Low82Confident240 Ų24052.2 Ų52.291%0.90626%0.258SS*.  trans-69.266.2-176.4-62.3-178.8-170.4176.82.2112.1T271R269-T271 PolarHBondContact O-N 2.79Å; R269-T271 PolarHBondContact O-OG1 2.98Å
270V72.9Confident81Confident12 Ų1255.6 Ų55.67%0.07327%0.272CS..  trans-62.2109.1172.1-178.10000107I187 L197 I202 S268I187-V270 HydrophobicContact CG2-CG1 4.14Å; L197-V270 WeakPolarHBondContact CD2-O 3.48Å; I202-V270 HydrophobicContact CD1-CG1 4.28Å; I202-V270 HydrophobicContact CD1-CG2 3.92Å; I202-V270 HydrophobicContact CG1-CG1 4.23Å; I202-V270 HydrophobicContact CG1-CG2 3.88Å; S268-V270 PolarHBondContact O-N 2.81Å
271T77.2Confident79.9Confident65 Ų6557.6 Ų57.640%0.39929%0.293SS..  trans-101.6114.2178.7-43.90000107R269R269-T271 PolarHBondContact O-N 2.79Å; R269-T271 PolarHBondContact O-OG1 2.98Å
272P78.3Confident78.6Confident26 Ų2657.5 Ų57.517%0.16929%0.288CS..  trans-59.4137.4-179.622.2-31.1000109.8I191 L197 I274 F396I191-P272 HydrophobicContact CD1-CB 4.12Å; I191-P272 HydrophobicContact CD1-CG 4.25Å; L197-P272 HydrophobicContact CD1-CG 4.31Å; P272-I274 PolarHBondContact O-N 3.22Å; P272-F396 HydrophobicContact CB-CE2 4.12Å; P272-F396 HydrophobicContact CB-CZ 3.86Å
273P79.1Confident77.1Confident0 Ų063.6 Ų63.60%032%0.315CS..SBendtrans-70.5-13.8-176.327.1-33.5000113.1L296 V297 F299 L304 F359 L366P273-L296 WeakPolarHBondContact O-CA 3.35Å; P273-V297 PolarHBondContact O-N 2.93Å; P273-F299 HydrophobicContact CB-CD2 3.93Å; P273-F299 HydrophobicContact CB-CE2 3.48Å; P273-F299 VanDerWaalsContact CB-CE2 3.48Å; P273-F299 HydrophobicContact CB-CZ 3.95Å; P273-L304 HydrophobicContact CB-CD2 4.45Å; P273-F359 HydrophobicContact CG-CE1 3.95Å; P273-F359 HydrophobicContact CG-CE2 3.77Å; P273-F359 HydrophobicContact CG-CZ 3.43Å; P273-F359 VanDerWaalsContact CG-CZ 3.43Å; P273-L366 HydrophobicContact CB-CD1 4.13Å; P273-L366 HydrophobicContact CG-CD1 3.99Å
274I81.1Confident75.8Confident2 Ų267.7 Ų67.71%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-126.5143.4-176.560.6177000110.9P272 V276 V294 S295 L296 L304 F309 V357 F396P272-I274 PolarHBondContact O-N 3.22Å; I274-V276 HydrophobicContact CD1-CG2 4.22Å; I274-V276 HydrophobicContact CG1-CG2 4.45Å; I274-V294 HydrophobicContact CB-CG1 4.4Å; I274-V294 HydrophobicContact CG2-CG1 4.44Å; I274-S295 CarbonylContact C-O 3.57Å; I274-S295 VanDerWaalsContact CA-O 3.3Å; I274-S295 WeakPolarHBondContact CA-O 3.34Å; I274-L296 HydrophobicContact CG2-CD1 4.4Å; I274-L304 HydrophobicContact CG2-CD1 3.42Å; I274-L304 VanDerWaalsContact CG2-CD1 3.42Å; I274-F309 HydrophobicContact CD1-CE1 4.43Å; I274-F309 HydrophobicContact CD1-CZ 4.35Å; I274-V357 HydrophobicContact CD1-CB 4.11Å; I274-V357 HydrophobicContact CD1-CG1 3.87Å; I274-V357 HydrophobicContact CD1-CG2 3.72Å; I274-F396 HydrophobicContact CD1-CD1 4.44Å; I274-F396 HydrophobicContact CD1-CE1 3.74Å; I274-F396 HydrophobicContact CD1-CZ 4.07Å; I274-F396 HydrophobicContact CG1-CE1 3.94Å; I274-F396 HydrophobicContact CG1-CZ 3.81Å
275Q82.7Confident74.5Confident74 Ų7471.7 Ų71.735%0.34638%0.383SS..EExtended strand (participates in β ladder)trans-111.4132.3164.3170.717324.200108.5V294 S295 V297Q275-V294 WeakPolarHBondContact O-CA 3.36Å; Q275-S295 PolarHBondContact N-O 2.87Å; Q275-S295 PolarHBondContact O-N 2.9Å; Q275-S295 PolarHBondContact O-OG 2.87Å; Q275-V297 HydrophobicContact CB-CG2 3.24Å
276V80.1Confident73.9Confident4 Ų477.5 Ų77.52%0.02441%0.409CS..EExtended strand (participates in β ladder)trans-120.7130.8-179-179.60000109.2I274 M292 T293 V294 F309 I398I274-V276 HydrophobicContact CD1-CG2 4.22Å; I274-V276 HydrophobicContact CG1-CG2 4.45Å; V276-M292 HydrophobicContact CG1-CE 3.53Å; V276-M292 HydrophobicContact CG1-CG 3.58Å; V276-M292 HydrophobicContact CG1-SD 3.23Å; V276-M292 WeakPolarHBondContact CG1-SD 3.37Å; V276-T293 CarbonylContact C-O 3.51Å; V276-T293 VanDerWaalsContact CA-O 3.32Å; V276-T293 WeakPolarHBondContact CA-O 3.45Å; V276-V294 HydrophobicContact CG1-CG2 4.45Å; V276-V294 HydrophobicContact CG2-CG1 4.3Å; V276-V294 HydrophobicContact CG2-CG2 4.04Å; V276-F309 HydrophobicContact CG2-CE1 4.35Å; V276-I398 HydrophobicContact CB-CD1 3.72Å; V276-I398 HydrophobicContact CB-CG2 4.49Å; V276-I398 HydrophobicContact CG1-CD1 4.01Å; V276-I398 HydrophobicContact CG1-CG2 4.42Å; V276-I398 HydrophobicContact CG2-CD1 3.38Å
277R81.9Confident74Confident175 Ų17580 Ų8066%0.6643%0.427SS*.EExtended strand (participates in β ladder)trans-121135.4171.4-68.1-174.5178.7-174.2-0.1108.4M292 T293R277-M292 CarbonylContact O-C 3.57Å; R277-M292 WeakPolarHBondContact O-CA 3.27Å; R277-M292 WeakPolarHBondContact O-CG 3.28Å; R277-T293 PolarHBondContact N-O 2.94Å; R277-T293 PolarHBondContact O-N 2.82Å
278H80.3Confident74.4Confident37 Ų3772.5 Ų72.517%0.17140%0.401CS..EExtended strand (participates in β ladder)trans-143.7156-179.757.9-84.5000112.3F280 F290 D291 M292 R399H278-F280 AromaticContact CD2-CE2 3.28Å; H278-F280 WeakPolarHBondContact CD2-CE2 3.35Å; H278-F280 AromaticContact CD2-CZ 3.9Å; H278-F280 AromaticContact NE2-CE2 3.98Å; H278-F290 HydrophobicContact CB-CE2 4.49Å; H278-D291 CarbonylContact C-O 3.54Å; H278-D291 VanDerWaalsContact CA-O 3.27Å; H278-D291 WeakPolarHBondContact CA-O 3.29Å; H278-M292 HydrophobicContact CB-CB 3.93Å; H278-M292 HydrophobicContact CB-CE 3.62Å; H278-M292 HydrophobicContact CB-CG 4.14Å; H278-R399 PolarHBondContact CE1-O 3.47Å; H278-R399 VanDerWaalsContact CE1-O 3.3Å
279S80.7Confident75.2Confident62 Ų6278.3 Ų78.343%0.43442%0.422SS..EExtended strand (participates in β ladder)trans-141.1137.517574.40000111F290 D291S279-F290 WeakPolarHBondContact O-CD2 3.26Å; S279-D291 PolarHBondContact N-O 2.89Å; S279-D291 PolarHBondContact O-N 3.3Å
280F77.4Confident75.9Confident71 Ų7167.7 Ų67.731%0.31138%0.382SS..EExtended strand (participates in β ladder)trans-116.8125.1177-60.5-65.3000110.1H278 F282 F290 R354 T400H278-F280 AromaticContact CD2-CE2 3.28Å; H278-F280 WeakPolarHBondContact CD2-CE2 3.35Å; H278-F280 AromaticContact CD2-CZ 3.9Å; H278-F280 AromaticContact NE2-CE2 3.98Å; F280-F282 HydrophobicContact CB-CD2 3.97Å; F280-F282 HydrophobicContact CB-CE2 3.86Å; F280-F282 HydrophobicContact CD1-CD2 4.24Å; F280-F282 AromaticContact CD1-CE2 3.32Å; F280-F282 HydrophobicContact CD1-CE2 3.32Å; F280-F282 AromaticContact CD1-CZ 3.93Å; F280-F282 HydrophobicContact CD1-CZ 3.93Å; F280-F282 HydrophobicContact CE1-CE2 4.2Å; F280-F282 HydrophobicContact CG-CD2 4.42Å; F280-F282 AromaticContact CG-CE2 3.91Å; F280-F282 HydrophobicContact CG-CE2 3.91Å; F280-F290 AromaticContact CD1-CD2 3.6Å; F280-F290 HydrophobicContact CD1-CD2 3.6Å; F280-F290 HydrophobicContact CD1-CE2 4.18Å; F280-F290 AromaticContact CE1-CD2 3.36Å; F280-F290 HydrophobicContact CE1-CD2 3.36Å; F280-F290 AromaticContact CE1-CE2 3.51Å; F280-F290 HydrophobicContact CE1-CE2 3.51Å; F280-F290 HydrophobicContact CE1-CG 4.43Å; F280-F290 HydrophobicContact CZ-CD2 4.34Å; F280-F290 HydrophobicContact CZ-CE2 4.09Å; F280-R354 HydrophobicContact CE1-CG 3.9Å; F280-R354 VanDerWaalsContact CE1-NH1 3.29Å; F280-R354 HydrophobicContact CZ-CG 3.91Å; F280-T400 VanDerWaalsContact CE2-CB 3.41Å; F280-T400 HydrophobicContact CE2-CG2 3.6Å; F280-T400 HydrophobicContact CZ-CG2 3.56Å
281G75Confident76.3Confident42 Ų4271.3 Ų71.343%0.43340%0.401SS..EExtended strand (participates in β ladder)trans-122.870.3170.200000109.9G288 K289G281-G288 CarbonylContact O-C 3.48Å; G281-G288 WeakPolarHBondContact O-CA 3.37Å; G281-K289 PolarHBondContact N-O 2.83Å; G281-K289 PolarHBondContact O-N 3.38Å
282F70.5Confident76.4Confident51 Ų5168.3 Ų68.322%0.22438%0.383CS..  trans-97.6134.2175.2-60.9-63000111.3F280 F290 P314 Y316F280-F282 HydrophobicContact CB-CD2 3.97Å; F280-F282 HydrophobicContact CB-CE2 3.86Å; F280-F282 HydrophobicContact CD1-CD2 4.24Å; F280-F282 AromaticContact CD1-CE2 3.32Å; F280-F282 HydrophobicContact CD1-CE2 3.32Å; F280-F282 AromaticContact CD1-CZ 3.93Å; F280-F282 HydrophobicContact CD1-CZ 3.93Å; F280-F282 HydrophobicContact CE1-CE2 4.2Å; F280-F282 HydrophobicContact CG-CD2 4.42Å; F280-F282 AromaticContact CG-CE2 3.91Å; F280-F282 HydrophobicContact CG-CE2 3.91Å; F282-F290 HydrophobicContact CZ-CB 4.22Å; F282-P314 HydrophobicContact CD2-CG 4.02Å; F282-P314 HydrophobicContact CE2-CG 4.15Å; F282-Y316 HydrophobicContact CB-CE2 4.01Å; F282-Y316 WeakPolarHBondContact CB-OH 3.29Å; F282-Y316 HydrophobicContact CG-CE2 4.34Å
283K65.7Low76.7Confident136 Ų13669.2 Ų69.259%0.59139%0.388SS*.  trans-126.3139.8163.2-71.9178.3178.9179.10108.4G285 E286K283-G285 PolarHBondContact O-N 2.9Å; K283-E286 HydrophobicContact CB-CB 4.19Å; K283-E286 HydrophobicContact CB-CG 4.47Å; K283-E286 WeakPolarHBondContact CD-OE2 3.49Å; K283-E286 PolarHBondContact O-N 2.88Å
284V66.5Low76.8Confident120 Ų12069.2 Ų69.273%0.72739%0.388SS*.THydrogen-bonded Turntrans-63.7127.3178.7-178.80000108.6
285G65.6Low76.8Confident85 Ų8570.6 Ų70.688%0.87640%0.397SS*.THydrogen-bonded Turntrans86.2-4.3179.400000115.7K283K283-G285 PolarHBondContact O-N 2.9Å
286E74Confident76.7Confident127 Ų12767.9 Ų67.959%0.59339%0.385SS*.SBendtrans-114.7162.7176.6-67.5179.1-164.700111.6K283 G288K283-E286 HydrophobicContact CB-CB 4.19Å; K283-E286 HydrophobicContact CB-CG 4.47Å; K283-E286 WeakPolarHBondContact CD-OE2 3.49Å; K283-E286 PolarHBondContact O-N 2.88Å; E286-G288 PolarHBondContact O-N 2.74Å
287S73.1Confident76.4Confident120 Ų12069.3 Ų69.384%0.83939%0.394SS*.PPolyproline II helixtrans-68.1116.1167.348.70000109.6
288G72.9Confident75.6Confident36 Ų3668.4 Ų68.437%0.37140%0.397SS..PPolyproline II helixtrans-80.1154.4176.400000112.7G281 E286G281-G288 CarbonylContact O-C 3.48Å; G281-G288 WeakPolarHBondContact O-CA 3.37Å; E286-G288 PolarHBondContact O-N 2.74Å
289K79.3Confident74.8Confident160 Ų16067.4 Ų67.470%0.69639%0.392SS*.EExtended strand (participates in β ladder)trans-101.5143.6168.2-70.2-172.4179.2-176.90110.9G281G281-K289 PolarHBondContact N-O 2.83Å; G281-K289 PolarHBondContact O-N 3.38Å
290F79.6Confident73.8Confident16 Ų1671 Ų717%0.0741%0.411CS..EExtended strand (participates in β ladder)trans-144.4122.9174.2167.4-114.6000110.9H278 S279 F280 F282 M292 L322 L353 R354H278-F290 HydrophobicContact CB-CE2 4.49Å; S279-F290 WeakPolarHBondContact O-CD2 3.26Å; F280-F290 AromaticContact CD1-CD2 3.6Å; F280-F290 HydrophobicContact CD1-CD2 3.6Å; F280-F290 HydrophobicContact CD1-CE2 4.18Å; F280-F290 AromaticContact CE1-CD2 3.36Å; F280-F290 HydrophobicContact CE1-CD2 3.36Å; F280-F290 AromaticContact CE1-CE2 3.51Å; F280-F290 HydrophobicContact CE1-CE2 3.51Å; F280-F290 HydrophobicContact CE1-CG 4.43Å; F280-F290 HydrophobicContact CZ-CD2 4.34Å; F280-F290 HydrophobicContact CZ-CE2 4.09Å; F282-F290 HydrophobicContact CZ-CB 4.22Å; F290-M292 HydrophobicContact CE1-CB 4.38Å; F290-M292 HydrophobicContact CE2-CB 3.89Å; F290-M292 HydrophobicContact CZ-CB 3.4Å; F290-M292 VanDerWaalsContact CZ-CB 3.4Å; F290-L322 HydrophobicContact CD1-CD1 4.18Å; F290-L322 HydrophobicContact CD1-CD2 4.07Å; F290-L353 HydrophobicContact CD1-CD2 4.33Å; F290-L353 HydrophobicContact CD1-CG 4.37Å; F290-L353 HydrophobicContact CE1-CB 4.29Å; F290-L353 HydrophobicContact CE1-CD2 3.84Å; F290-L353 HydrophobicContact CE1-CG 3.72Å; F290-R354 VanDerWaalsContact CD1-CZ 3.47Å; F290-R354 HydrophobicContact CD2-CG 4.16Å; F290-R354 HydrophobicContact CE1-CB 3.51Å; F290-R354 HydrophobicContact CE1-CG 3.79Å; F290-R354 HydrophobicContact CE2-CB 3.9Å; F290-R354 HydrophobicContact CE2-CG 3.25Å; F290-R354 HydrophobicContact CZ-CB 3.09Å; F290-R354 HydrophobicContact CZ-CG 3.04Å
291D80.7Confident73.2Confident89 Ų8970.7 Ų70.748%0.47643%0.428SS..EExtended strand (participates in β ladder)trans-127.4133.1173.4-63.5-70.8000108.4H278 S279H278-D291 CarbonylContact C-O 3.54Å; H278-D291 VanDerWaalsContact CA-O 3.27Å; H278-D291 WeakPolarHBondContact CA-O 3.29Å; S279-D291 PolarHBondContact N-O 2.89Å; S279-D291 PolarHBondContact O-N 3.3Å
292M81Confident73.1Confident2 Ų274.8 Ų74.81%0.0143%0.431CS..EExtended strand (participates in β ladder)trans-130153.1162.6170.9173-66.900107.4V276 R277 H278 F290 V294 N352 L353 R354V276-M292 HydrophobicContact CG1-CE 3.53Å; V276-M292 HydrophobicContact CG1-CG 3.58Å; V276-M292 HydrophobicContact CG1-SD 3.23Å; V276-M292 WeakPolarHBondContact CG1-SD 3.37Å; R277-M292 CarbonylContact O-C 3.57Å; R277-M292 WeakPolarHBondContact O-CA 3.27Å; R277-M292 WeakPolarHBondContact O-CG 3.28Å; H278-M292 HydrophobicContact CB-CB 3.93Å; H278-M292 HydrophobicContact CB-CE 3.62Å; H278-M292 HydrophobicContact CB-CG 4.14Å; F290-M292 HydrophobicContact CE1-CB 4.38Å; F290-M292 HydrophobicContact CE2-CB 3.89Å; F290-M292 HydrophobicContact CZ-CB 3.4Å; F290-M292 VanDerWaalsContact CZ-CB 3.4Å; M292-V294 HydrophobicContact CG-CG2 4.27Å; M292-V294 HydrophobicContact SD-CG2 4.24Å; M292-N352 CarbonylContact O-C 3.49Å; M292-N352 WeakPolarHBondContact O-CA 3.14Å; M292-N352 WeakPolarHBondContact O-CB 3.28Å; M292-N352 PolarHBondContact O-OD1 3.46Å; M292-L353 WeakPolarHBondContact CG-O 3.24Å; M292-L353 PolarHBondContact O-N 2.91Å; M292-R354 VanDerWaalsContact CE-CA 3.45Å; M292-R354 HydrophobicContact CE-CB 4.19Å; M292-R354 HydrophobicContact CE-CG 3.98Å; M292-R354 WeakPolarHBondContact SD-CA 3.29Å
293T83.4Confident73.4Confident45 Ų4574.1 Ų74.128%0.27643%0.431SS..EExtended strand (participates in β ladder)trans-134.7131.3172.9-57.10000108.3V276 R277 T350 V351 N352V276-T293 CarbonylContact C-O 3.51Å; V276-T293 VanDerWaalsContact CA-O 3.32Å; V276-T293 WeakPolarHBondContact CA-O 3.45Å; R277-T293 PolarHBondContact N-O 2.94Å; R277-T293 PolarHBondContact O-N 2.82Å; T293-T350 HydrophobicContact CG2-CG2 4.04Å; T293-V351 CarbonylContact C-O 3.55Å; T293-V351 WeakPolarHBondContact CA-O 2.84Å; T293-N352 WeakPolarHBondContact CA-OD1 3.18Å; T293-N352 WeakPolarHBondContact CB-OD1 3.4Å; T293-N352 WeakPolarHBondContact CG2-OD1 3.36Å; T293-N352 PolarHBondContact OG1-OD1 2.8Å
294V82.3Confident74.2Confident0 Ų067.7 Ų67.70%040%0.403CS..EExtended strand (participates in β ladder)trans-117.2132.7179.8-178.40000107I274 Q275 V276 M292 F309 W340 L345 T350 V351I274-V294 HydrophobicContact CB-CG1 4.4Å; I274-V294 HydrophobicContact CG2-CG1 4.44Å; Q275-V294 WeakPolarHBondContact O-CA 3.36Å; V276-V294 HydrophobicContact CG1-CG2 4.45Å; V276-V294 HydrophobicContact CG2-CG1 4.3Å; V276-V294 HydrophobicContact CG2-CG2 4.04Å; M292-V294 HydrophobicContact CG-CG2 4.27Å; M292-V294 HydrophobicContact SD-CG2 4.24Å; V294-F309 HydrophobicContact CB-CZ 4.12Å; V294-F309 HydrophobicContact CG1-CE1 4.46Å; V294-F309 HydrophobicContact CG1-CE2 4.27Å; V294-F309 HydrophobicContact CG1-CZ 3.6Å; V294-F309 HydrophobicContact CG2-CE1 3.8Å; V294-F309 HydrophobicContact CG2-CE2 4.05Å; V294-F309 HydrophobicContact CG2-CZ 3.48Å; V294-F309 VanDerWaalsContact CG2-CZ 3.48Å; V294-W340 HydrophobicContact CG2-CH2 4.27Å; V294-W340 HydrophobicContact CG2-CZ3 3.77Å; V294-L345 HydrophobicContact CG1-CD2 3.86Å; V294-T350 CarbonylContact O-C 3.59Å; V294-T350 WeakPolarHBondContact O-CA 3.31Å; V294-V351 WeakPolarHBondContact CA-O 3.32Å; V294-V351 WeakPolarHBondContact CB-O 3.17Å; V294-V351 PolarHBondContact N-O 3.11Å; V294-V351 PolarHBondContact O-N 3.38Å
295S80.8Confident75.2Confident31 Ų3165.1 Ų65.122%0.21738%0.383CS..EExtended strand (participates in β ladder)trans-137143.8177.250.10000109.4I274 Q275I274-S295 CarbonylContact C-O 3.57Å; I274-S295 VanDerWaalsContact CA-O 3.3Å; I274-S295 WeakPolarHBondContact CA-O 3.34Å; Q275-S295 PolarHBondContact N-O 2.87Å; Q275-S295 PolarHBondContact O-N 2.9Å; Q275-S295 PolarHBondContact O-OG 2.87Å
296L79.8Confident76.1Confident17 Ų1766.6 Ų66.69%0.08937%0.37CS..EExtended strand (participates in β ladder)trans-71135.5166-115.873.4000109P273 I274 F299 L304 L345 A347P273-L296 WeakPolarHBondContact O-CA 3.35Å; I274-L296 HydrophobicContact CG2-CD1 4.4Å; L296-F299 HydrophobicContact CD2-CB 3.43Å; L296-F299 VanDerWaalsContact CD2-CB 3.43Å; L296-F299 HydrophobicContact CD2-CG 4.37Å; L296-F299 HydrophobicContact CG-CB 3.99Å; L296-L304 HydrophobicContact CD1-CB 4.41Å; L296-L304 HydrophobicContact CD1-CD1 3.33Å; L296-L304 HydrophobicContact CD1-CG 3.65Å; L296-L304 HydrophobicContact CG-CD1 4.25Å; L296-L304 HydrophobicContact CG-CG 4.39Å; L296-L345 HydrophobicContact CD1-CB 4.22Å; L296-L345 HydrophobicContact CD1-CD2 3.48Å; L296-L345 VanDerWaalsContact CD1-CD2 3.48Å; L296-L345 HydrophobicContact CD1-CG 3.68Å; L296-A347 HydrophobicContact CB-CB 4.47Å; L296-A347 HydrophobicContact CD2-CB 4.36Å
297V74.1Confident76.7Confident33 Ų3360.7 Ų60.720%0.234%0.343CS..  trans-118.7137.2173.5-154.60000109P273 Q275 F299P273-V297 PolarHBondContact O-N 2.93Å; Q275-V297 HydrophobicContact CB-CG2 3.24Å; V297-F299 VanDerWaalsContact O-CD2 3.29Å; V297-F299 WeakPolarHBondContact O-CD2 3.33Å; V297-F299 PolarHBondContact O-N 3.02Å; V297-F299 VanDerWaalsContact O-N 3.13Å
298H66Low77.4Confident157 Ų15756.8 Ų56.873%0.72731%0.313SS*.SBendtrans65.110.3175.2-49.7-67.4000116.3
299F63.1Low78.1Confident15 Ų1555.1 Ų55.17%0.06630%0.295CS..  trans-115.152.7-177.7-87.8-98.7000113.1P273 L296 V297 G301 R302 V361 I364 L366P273-F299 HydrophobicContact CB-CD2 3.93Å; P273-F299 HydrophobicContact CB-CE2 3.48Å; P273-F299 VanDerWaalsContact CB-CE2 3.48Å; P273-F299 HydrophobicContact CB-CZ 3.95Å; L296-F299 HydrophobicContact CD2-CB 3.43Å; L296-F299 VanDerWaalsContact CD2-CB 3.43Å; L296-F299 HydrophobicContact CD2-CG 4.37Å; L296-F299 HydrophobicContact CG-CB 3.99Å; V297-F299 VanDerWaalsContact O-CD2 3.29Å; V297-F299 WeakPolarHBondContact O-CD2 3.33Å; V297-F299 PolarHBondContact O-N 3.02Å; V297-F299 VanDerWaalsContact O-N 3.13Å; F299-G301 PolarHBondContact O-N 3.3Å; F299-R302 HydrophobicContact CB-CB 4.25Å; F299-R302 HydrophobicContact CD1-CB 3.77Å; F299-R302 HydrophobicContact CD1-CG 4.03Å; F299-R302 PolarHBondContact O-N 3.04Å; F299-V361 HydrophobicContact CE1-CG1 4.14Å; F299-I364 HydrophobicContact CD1-CD1 4.24Å; F299-I364 HydrophobicContact CE1-CD1 3.5Å; F299-I364 HydrophobicContact CE1-CG1 4.41Å; F299-I364 HydrophobicContact CE1-CG2 4.36Å; F299-I364 HydrophobicContact CZ-CD1 4.11Å; F299-L366 HydrophobicContact CE2-CD1 4.35Å; F299-L366 HydrophobicContact CE2-CD2 3.62Å; F299-L366 HydrophobicContact CE2-CG 4.42Å; F299-L366 HydrophobicContact CZ-CD1 3.85Å; F299-L366 HydrophobicContact CZ-CD2 3.32Å; F299-L366 HydrophobicContact CZ-CG 3.75Å
300V58.4Low78.5Confident137 Ų13749.2 Ų49.283%0.8327%0.273SS*.THydrogen-bonded Turntrans-64.3126.1178.3-176.60000110.3
301G65Low78.8Confident66 Ų6648.9 Ų48.968%0.6827%0.271SS*.THydrogen-bonded Turntrans76.518.4178.400000115F299F299-G301 PolarHBondContact O-N 3.3Å
302R73.2Confident79.1Confident128 Ų12849.6 Ų49.648%0.48328%0.284SS..  trans-122157.9175.3-64-71.6-174.3-103.41109.9F299F299-R302 HydrophobicContact CB-CB 4.25Å; F299-R302 HydrophobicContact CD1-CB 3.77Å; F299-R302 HydrophobicContact CD1-CG 4.03Å; F299-R302 PolarHBondContact O-N 3.04Å
303T78.1Confident79.2Confident37 Ų3750 Ų5023%0.22729%0.286CS..EExtended strand (participates in β ladder)trans-125135.817857.90000109.9L345 E346T303-L345 WeakPolarHBondContact CA-O 3.28Å; T303-E346 HydrophobicContact CG2-CB 4.44Å; T303-E346 HydrophobicContact CG2-CG 3.71Å
304L81.3Confident79.1Confident0 Ų049.6 Ų49.60%028%0.284CS..EExtended strand (participates in β ladder)trans-84.6137163.5-62.8176.3000108P273 I274 L296 V307 R344 L345 F359 V361P273-L304 HydrophobicContact CB-CD2 4.45Å; I274-L304 HydrophobicContact CG2-CD1 3.42Å; I274-L304 VanDerWaalsContact CG2-CD1 3.42Å; L296-L304 HydrophobicContact CD1-CB 4.41Å; L296-L304 HydrophobicContact CD1-CD1 3.33Å; L296-L304 HydrophobicContact CD1-CG 3.65Å; L296-L304 HydrophobicContact CG-CD1 4.25Å; L296-L304 HydrophobicContact CG-CG 4.39Å; L304-V307 HydrophobicContact CB-CG2 3.46Å; L304-V307 VanDerWaalsContact CB-CG2 3.46Å; L304-V307 HydrophobicContact CD1-CG2 4.35Å; L304-R344 CarbonylContact O-C 3.51Å; L304-R344 WeakPolarHBondContact O-CA 3.47Å; L304-L345 HydrophobicContact CB-CB 4.26Å; L304-L345 HydrophobicContact CD1-CD2 4.36Å; L304-L345 PolarHBondContact N-O 2.83Å; L304-L345 PolarHBondContact O-N 2.79Å; L304-F359 HydrophobicContact CD2-CD2 3.96Å; L304-F359 HydrophobicContact CD2-CG 4.44Å; L304-V361 HydrophobicContact CD2-CB 4.11Å; L304-V361 HydrophobicContact CD2-CG1 4Å; L304-V361 HydrophobicContact CD2-CG2 3.17Å
305E86.8Confident79.2Confident67 Ų6758.6 Ų58.631%0.31332%0.323SS..EExtended strand (participates in β ladder)trans-112.3159.1175.7-65.4176.616500109.1V307 G343 T360 N362E305-V307 PolarHBondContact O-N 2.79Å; E305-V307 VanDerWaalsContact O-N 3.14Å; E305-G343 CarbonylContact C-O 3.56Å; E305-T360 PolarHBondContact N-O 2.88Å; E305-T360 PolarHBondContact O-N 3.26Å; E305-N362 PolarHBondContact OE2-ND2 2.78Å
306D85.8Confident79.2Confident115 Ų11562.5 Ų62.562%0.61533%0.334SS*.EExtended strand (participates in β ladder)trans51.538178.3-54.5-39.2000113.8L308 G343D306-L308 PolarHBondContact O-N 3.06Å; D306-G343 PolarHBondContact N-O 3.27Å
307V86.8Confident79.3Confident3 Ų362.5 Ų62.52%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-72112.2179.4-178.70000109.4L304 E305 F309 V342 G343 L345 V357 R358 F359L304-V307 HydrophobicContact CB-CG2 3.46Å; L304-V307 VanDerWaalsContact CB-CG2 3.46Å; L304-V307 HydrophobicContact CD1-CG2 4.35Å; E305-V307 PolarHBondContact O-N 2.79Å; E305-V307 VanDerWaalsContact O-N 3.14Å; V307-F309 HydrophobicContact CG1-CD2 4.03Å; V307-F309 HydrophobicContact CG1-CE2 3.37Å; V307-F309 HydrophobicContact CG1-CZ 4.13Å; V307-V342 HydrophobicContact CB-CB 4.04Å; V307-V342 HydrophobicContact CG1-CB 4.04Å; V307-V342 HydrophobicContact CG1-CG2 4.17Å; V307-V342 PolarHBondContact O-N 2.92Å; V307-G343 PolarHBondContact N-O 3.24Å; V307-G343 PolarHBondContact O-N 2.82Å; V307-L345 HydrophobicContact CG2-CB 4.08Å; V307-V357 HydrophobicContact CG1-CG1 4.44Å; V307-R358 CarbonylContact C-O 3.53Å; V307-R358 WeakPolarHBondContact CA-O 2.9Å; V307-F359 HydrophobicContact CG2-CB 4.11Å
308L87.7Confident79.6Confident39 Ų3966.5 Ų66.520%0.20436%0.358CS..EExtended strand (participates in β ladder)trans-127.1131.4177.8169.270.8000109.5D306 L339 W340 E341 V357 R358D306-L308 PolarHBondContact O-N 3.06Å; L308-L339 HydrophobicContact CD1-CB 4.49Å; L308-L339 HydrophobicContact CD1-CD2 4.28Å; L308-W340 WeakPolarHBondContact CA-O 3.27Å; L308-E341 HydrophobicContact CD1-CB 4.46Å; L308-E341 HydrophobicContact CD1-CG 3.57Å; L308-V357 CarbonylContact O-C 3.47Å; L308-V357 WeakPolarHBondContact O-CA 3.2Å; L308-R358 HydrophobicContact CB-CB 4.44Å; L308-R358 PolarHBondContact N-O 2.79Å; L308-R358 PolarHBondContact O-N 2.88Å
309F86.7Confident80.4Confident1 Ų163.9 Ų63.90%0.00435%0.35CS..EExtended strand (participates in β ladder)trans-110.8136.9171.5-64.2-104.7000112.1I274 V276 V294 V307 L339 W340 V342 R354 G355 M356 V357I274-F309 HydrophobicContact CD1-CE1 4.43Å; I274-F309 HydrophobicContact CD1-CZ 4.35Å; V276-F309 HydrophobicContact CG2-CE1 4.35Å; V294-F309 HydrophobicContact CB-CZ 4.12Å; V294-F309 HydrophobicContact CG1-CE1 4.46Å; V294-F309 HydrophobicContact CG1-CE2 4.27Å; V294-F309 HydrophobicContact CG1-CZ 3.6Å; V294-F309 HydrophobicContact CG2-CE1 3.8Å; V294-F309 HydrophobicContact CG2-CE2 4.05Å; V294-F309 HydrophobicContact CG2-CZ 3.48Å; V294-F309 VanDerWaalsContact CG2-CZ 3.48Å; V307-F309 HydrophobicContact CG1-CD2 4.03Å; V307-F309 HydrophobicContact CG1-CE2 3.37Å; V307-F309 HydrophobicContact CG1-CZ 4.13Å; F309-L339 WeakPolarHBondContact O-CA 3.46Å; F309-W340 HydrophobicContact CB-CB 4.36Å; F309-W340 HydrophobicContact CB-CE3 4.17Å; F309-W340 HydrophobicContact CD2-CD2 4.34Å; F309-W340 AromaticContact CD2-CE3 3.43Å; F309-W340 HydrophobicContact CD2-CE3 3.43Å; F309-W340 VanDerWaalsContact CD2-CE3 3.43Å; F309-W340 AromaticContact CD2-CZ3 3.71Å; F309-W340 HydrophobicContact CD2-CZ3 3.71Å; F309-W340 HydrophobicContact CE2-CE3 4.01Å; F309-W340 AromaticContact CE2-CZ3 3.78Å; F309-W340 HydrophobicContact CE2-CZ3 3.78Å; F309-W340 AromaticContact CG-CE3 3.87Å; F309-W340 HydrophobicContact CG-CE3 3.87Å; F309-W340 HydrophobicContact CG-CZ3 4.32Å; F309-W340 HydrophobicContact CZ-CZ3 4.47Å; F309-W340 PolarHBondContact N-O 2.83Å; F309-W340 PolarHBondContact O-N 2.81Å; F309-V342 HydrophobicContact CD2-CG2 4.03Å; F309-V342 HydrophobicContact CE2-CG2 4.01Å; F309-R354 WeakPolarHBondContact CB-O 3.28Å; F309-G355 WeakPolarHBondContact CD1-O 3.42Å; F309-M356 CarbonylContact C-O 3.55Å; F309-M356 VanDerWaalsContact CA-O 3.27Å; F309-M356 WeakPolarHBondContact CA-O 2.86Å; F309-V357 HydrophobicContact CD1-CB 4.39Å; F309-V357 HydrophobicContact CD1-CG1 4.33Å; F309-V357 HydrophobicContact CD1-CG2 3.5Å; F309-V357 HydrophobicContact CE1-CB 4.2Å; F309-V357 HydrophobicContact CE1-CG1 3.94Å; F309-V357 HydrophobicContact CE1-CG2 3.23Å; F309-V357 HydrophobicContact CE2-CG1 4.29Å; F309-V357 HydrophobicContact CG-CG2 4.42Å; F309-V357 HydrophobicContact CZ-CG1 3.86Å; F309-V357 HydrophobicContact CZ-CG2 3.99Å
310T88.5Confident81.2Confident36 Ų3664.2 Ų64.222%0.22135%0.354CS..EExtended strand (participates in β ladder)trans-120.6126.3-179.2-56.60000112.5T337 L339 G355 M356T310-T337 HydrophobicContact CG2-CG2 3.56Å; T310-L339 HydrophobicContact CG2-CD2 3.97Å; T310-G355 CarbonylContact O-C 3.55Å; T310-G355 WeakPolarHBondContact O-CA 3.37Å; T310-M356 PolarHBondContact N-O 2.82Å; T310-M356 PolarHBondContact O-N 3.02Å
311I86.6Confident82.3Confident8 Ų864.7 Ų64.74%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-133.3119.5-159.7-40.6148.7000112.8M313 T337 L338 R354I311-M313 HydrophobicContact CG2-CE 4.41Å; I311-M313 PolarHBondContact O-N 3.46Å; I311-T337 CarbonylContact O-C 3.47Å; I311-T337 WeakPolarHBondContact O-CA 3.27Å; I311-L338 HydrophobicContact CB-CB 4.08Å; I311-L338 VanDerWaalsContact CB-O 3.28Å; I311-L338 WeakPolarHBondContact CB-O 3.22Å; I311-L338 HydrophobicContact CD1-CB 3.67Å; I311-L338 HydrophobicContact CD1-CD2 3.5Å; I311-L338 VanDerWaalsContact CD1-CD2 3.5Å; I311-L338 HydrophobicContact CD1-CG 3.56Å; I311-L338 WeakPolarHBondContact CD1-O 3.4Å; I311-L338 HydrophobicContact CG1-CB 4.35Å; I311-L338 WeakPolarHBondContact CG1-O 3.49Å; I311-L338 PolarHBondContact N-O 2.73Å; I311-L338 PolarHBondContact O-N 2.81Å; I311-R354 HydrophobicContact CB-CB 3.94Å; I311-R354 HydrophobicContact CB-CG 4.48Å; I311-R354 HydrophobicContact CD1-CB 3.28Å; I311-R354 WeakPolarHBondContact CD1-O 3.25Å; I311-R354 HydrophobicContact CG1-CB 3.42Å; I311-R354 VanDerWaalsContact CG1-CB 3.42Å; I311-R354 HydrophobicContact CG1-CG 4.42Å; I311-R354 WeakPolarHBondContact CG1-O 3.08Å; I311-R354 HydrophobicContact CG2-CB 3.48Å; I311-R354 VanDerWaalsContact CG2-CB 3.48Å; I311-R354 HydrophobicContact CG2-CG 3.49Å; I311-R354 VanDerWaalsContact CG2-CG 3.49Å
312S86.1Confident83Confident105 Ų10563.5 Ų63.573%0.73433%0.33SS*.EExtended strand (participates in β ladder)trans-72.7118.9164.3-48.40000112.4
313M82.7Confident83.4Confident11 Ų1164 Ų645%0.05435%0.346CS..PPolyproline II helixtrans-90.1152.3169.9-66.9-74172.800111.1I311 V317 L322 F331 K336 L338 R354I311-M313 HydrophobicContact CG2-CE 4.41Å; I311-M313 PolarHBondContact O-N 3.46Å; M313-V317 HydrophobicContact CB-CB 4.16Å; M313-V317 HydrophobicContact CB-CG1 4.41Å; M313-V317 HydrophobicContact CB-CG2 4.37Å; M313-L322 HydrophobicContact CE-CD1 4.41Å; M313-F331 HydrophobicContact CB-CE2 4.1Å; M313-F331 HydrophobicContact CG-CD2 4.3Å; M313-F331 HydrophobicContact CG-CE2 3.67Å; M313-K336 HydrophobicContact CB-CB 4.31Å; M313-K336 VanDerWaalsContact CB-O 3.28Å; M313-K336 WeakPolarHBondContact CB-O 3.27Å; M313-K336 PolarHBondContact N-O 2.79Å; M313-L338 HydrophobicContact CE-CB 3.42Å; M313-L338 VanDerWaalsContact CE-CB 3.42Å; M313-L338 HydrophobicContact CE-CD2 3.21Å; M313-L338 HydrophobicContact CE-CG 3.92Å; M313-L338 HydrophobicContact CG-CB 4.38Å; M313-R354 PolarHBondContact SD-NH1 3.29Å; M313-R354 PolarHBondContact SD-NH2 2.98Å
314P81.9Confident83.8Confident36 Ų3663.7 Ų63.723%0.23435%0.345CS..PPolyproline II helixtrans-56144.4169.3-23.132.1000112.1F282 Y316 V317F282-P314 HydrophobicContact CD2-CG 4.02Å; F282-P314 HydrophobicContact CE2-CG 4.15Å; P314-Y316 HydrophobicContact CB-CD1 3.94Å; P314-Y316 HydrophobicContact CB-CD2 4.32Å; P314-Y316 HydrophobicContact CB-CE1 3.41Å; P314-Y316 VanDerWaalsContact CB-CE1 3.41Å; P314-Y316 HydrophobicContact CB-CE2 3.84Å; P314-Y316 HydrophobicContact CB-CG 4.36Å; P314-Y316 HydrophobicContact CG-CE1 4.36Å; P314-Y316 HydrophobicContact CG-CE2 4.35Å; P314-Y316 PolarHBondContact O-N 2.9Å; P314-V317 HydrophobicContact CB-CG2 4.22Å; P314-V317 HydrophobicContact CG-CG2 4.32Å; P314-V317 WeakPolarHBondContact O-CB 3.35Å; P314-V317 WeakPolarHBondContact O-CG2 3.5Å; P314-V317 PolarHBondContact O-N 2.73Å
315K83.3Confident83.9Confident188 Ų18867.6 Ų67.682%0.81737%0.373SS*.THydrogen-bonded Turntrans-56.8-29.6-174.4-65.4-175.4178.6-177.50114.2V317 K336K315-V317 VanDerWaalsContact C-N 3.27Å; K315-V317 PolarHBondContact O-N 3.46Å; K315-K336 VanDerWaalsContact O-CE 3.27Å; K315-K336 WeakPolarHBondContact O-CE 3.3Å
316Y82.2Confident83.9Confident114 Ų11467 Ų6745%0.44737%0.369SS..THydrogen-bonded Turntrans-78.3-5.7178.955.6-101.9000113.9F282 P314 V318F282-Y316 HydrophobicContact CB-CE2 4.01Å; F282-Y316 WeakPolarHBondContact CB-OH 3.29Å; F282-Y316 HydrophobicContact CG-CE2 4.34Å; P314-Y316 HydrophobicContact CB-CD1 3.94Å; P314-Y316 HydrophobicContact CB-CD2 4.32Å; P314-Y316 HydrophobicContact CB-CE1 3.41Å; P314-Y316 VanDerWaalsContact CB-CE1 3.41Å; P314-Y316 HydrophobicContact CB-CE2 3.84Å; P314-Y316 HydrophobicContact CB-CG 4.36Å; P314-Y316 HydrophobicContact CG-CE1 4.36Å; P314-Y316 HydrophobicContact CG-CE2 4.35Å; P314-Y316 PolarHBondContact O-N 2.9Å; Y316-V318 PolarHBondContact O-N 2.73Å
317V81.3Confident84Confident17 Ų1763.6 Ų63.610%0.10336%0.362CS..  trans-75.5116.8174.2177.80000109.1M313 P314 K315 N319 F331 K336M313-V317 HydrophobicContact CB-CB 4.16Å; M313-V317 HydrophobicContact CB-CG1 4.41Å; M313-V317 HydrophobicContact CB-CG2 4.37Å; P314-V317 HydrophobicContact CB-CG2 4.22Å; P314-V317 HydrophobicContact CG-CG2 4.32Å; P314-V317 WeakPolarHBondContact O-CB 3.35Å; P314-V317 WeakPolarHBondContact O-CG2 3.5Å; P314-V317 PolarHBondContact O-N 2.73Å; K315-V317 VanDerWaalsContact C-N 3.27Å; K315-V317 PolarHBondContact O-N 3.46Å; V317-N319 WeakPolarHBondContact CG1-O 3.5Å; V317-F331 HydrophobicContact CG1-CZ 4.13Å; V317-K336 WeakPolarHBondContact O-CD 3.35Å; V317-K336 WeakPolarHBondContact O-CE 3.48Å; V317-K336 PolarHBondContact O-NZ 3.38Å
318V81.3Confident84.1Confident116 Ų11671.2 Ų71.270%0.70339%0.39SS*.  trans-91.4-36.1-179.7-177.70000111.5Y316 F331Y316-V318 PolarHBondContact O-N 2.73Å; V318-F331 WeakPolarHBondContact O-CE1 3.21Å
319N82.2Confident84.2Confident102 Ų10271.3 Ų71.355%0.54539%0.393SS..  trans-149.1158.4179.4-167.914.3000110.8V317 N321V317-N319 WeakPolarHBondContact CG1-O 3.5Å; N319-N321 PolarHBondContact ND2-OD1 3.34Å
320C80Confident84.3Confident23 Ų2374.1 Ų74.116%0.15541%0.412CS..  trans-127.8109.5176.3-68.20000109.9L322 F331 L338C320-L322 HydrophobicContact CB-CD1 3.81Å; C320-L322 HydrophobicContact CB-CG 4.26Å; C320-F331 HydrophobicContact CB-CB 4.06Å; C320-F331 HydrophobicContact CB-CD1 4.33Å; C320-F331 HydrophobicContact CB-CD2 4.37Å; C320-F331 HydrophobicContact CB-CG 3.99Å; C320-L338 HydrophobicContact CB-CD1 4.23Å
321N80.7Confident84.3Confident147 Ų14774.4 Ų74.479%0.78641%0.411SS*.  trans-100.789.6170.8-68.9-22.9000108.6N319N319-N321 PolarHBondContact ND2-OD1 3.34Å
322L79.1Confident84.5Confident41 Ų4179.3 Ų79.322%0.21543%0.434CS..  trans-118.8140.3-173.3-65164.5000109.6F290 M313 C320 P324 L338 L353F290-L322 HydrophobicContact CD1-CD1 4.18Å; F290-L322 HydrophobicContact CD1-CD2 4.07Å; M313-L322 HydrophobicContact CE-CD1 4.41Å; C320-L322 HydrophobicContact CB-CD1 3.81Å; C320-L322 HydrophobicContact CB-CG 4.26Å; L322-P324 WeakPolarHBondContact O-CD 3.2Å; L322-L338 HydrophobicContact CD1-CD1 4.3Å; L322-L338 HydrophobicContact CD1-CD2 3.29Å; L322-L338 HydrophobicContact CD1-CG 4.49Å; L322-L353 HydrophobicContact CB-CD1 4.04Å; L322-L353 HydrophobicContact CB-CD2 3.89Å; L322-L353 HydrophobicContact CD1-CD2 3.48Å; L322-L353 VanDerWaalsContact CD1-CD2 3.48Å; L322-L353 HydrophobicContact CG-CD2 4.15Å
323V81.9Confident84.4Confident138 Ų13877.4 Ų77.484%0.83642%0.42SS*.  trans-111.5100.8-179.9-177.10000107.9
324P86.1Confident84.6Confident30 Ų3082.9 Ų82.920%0.19546%0.455CS..  trans-72.3142.4176.931.5-35.3000110.2L322 Q326 G327 T329 L353L322-P324 WeakPolarHBondContact O-CD 3.2Å; P324-Q326 WeakPolarHBondContact CB-O 3.2Å; P324-Q326 PolarHBondContact O-N 2.9Å; P324-G327 WeakPolarHBondContact CG-O 3.28Å; P324-T329 HydrophobicContact CB-CG2 4.04Å; P324-T329 HydrophobicContact CG-CG2 3.97Å; P324-L353 HydrophobicContact CB-CD1 4.28Å
325S85Confident84.8Confident83 Ų8383.9 Ų83.958%0.5846%0.462SS*.SBendtrans-69.8-24.7171.654.50000112.4V351 N352S325-V351 VanDerWaalsContact OG-CG1 3.26Å; S325-V351 WeakPolarHBondContact OG-CG1 2.85Å; S325-N352 PolarHBondContact OG-N 3.18Å
326Q86.6Confident84.9Confident53 Ų5377.1 Ų77.125%0.24843%0.433CS..SBendtrans-147.9146.2174.7-168.4-177.4-19.400110.4P324 W340 V342 R344 V351P324-Q326 WeakPolarHBondContact CB-O 3.2Å; P324-Q326 PolarHBondContact O-N 2.9Å; Q326-W340 PolarHBondContact O-NE1 2.89Å; Q326-V342 HydrophobicContact CG-CG1 4.46Å; Q326-R344 PolarHBondContact NE2-O 3.33Å; Q326-V351 HydrophobicContact CB-CG1 3.41Å; Q326-V351 VanDerWaalsContact CB-CG1 3.41Å
327G86.6Confident85.2Confident45 Ų4573.1 Ų73.146%0.46442%0.42SS..SBendtrans80.8-161.3176.200000112.9P324 E341P324-G327 WeakPolarHBondContact CG-O 3.28Å; G327-E341 CarbonylContact C-O 3.58Å; G327-E341 WeakPolarHBondContact CA-O 3.46Å
328R89.8Confident85.4Confident162 Ų16272.4 Ų72.461%0.61142%0.416SS*.EExtended strand (participates in β ladder)trans-128.8147.6-177.263.9178.1-176.6-128.62.9111.8W340 E341R328-W340 WeakPolarHBondContact O-CA 3.41Å; R328-E341 HydrophobicContact CG-CB 3.92Å; R328-E341 IonicContact CZ-OE1 3.04Å; R328-E341 IonicContact CZ-OE2 3.95Å; R328-E341 PolarHBondContact N-O 3.19Å; R328-E341 IonicContact NE-OE1 2.7Å; R328-E341 PolarHBondContact NE-OE1 2.92Å; R328-E341 IonicContact NE-OE2 3.38Å; R328-E341 PolarHBondContact NE-OE2 3.04Å; R328-E341 VanDerWaalsContact NE-OE2 3.13Å; R328-E341 IonicContact NH1-OE2 2.96Å; R328-E341 IonicContact NH2-OE1 3.59Å; R328-E341 PolarHBondContact NH2-OE1 3.13Å; R328-E341 IonicContact NH2-OE2 2.97Å; R328-E341 PolarHBondContact NH2-OE2 2.77Å; R328-E341 PolarHBondContact O-N 2.84Å
329T88.8Confident85.8Confident42 Ų4269.7 Ų69.726%0.25840%0.397SS..EExtended strand (participates in β ladder)trans-115.4139.3175.754.70000110.7P324 L339 W340 L353P324-T329 HydrophobicContact CB-CG2 4.04Å; P324-T329 HydrophobicContact CG-CG2 3.97Å; T329-L339 CarbonylContact C-O 3.56Å; T329-L339 VanDerWaalsContact CA-O 3.23Å; T329-L339 WeakPolarHBondContact CA-O 3.46Å; T329-W340 HydrophobicContact CG2-CB 4.13Å; T329-W340 VanDerWaalsContact CG2-CD1 3.49Å; T329-W340 HydrophobicContact CG2-CG 3.97Å; T329-L353 HydrophobicContact CG2-CD1 4.31Å; T329-L353 HydrophobicContact CG2-CD2 3.83Å
330S90.4Very high86.1Confident59 Ų5964.9 Ų64.941%0.41337%0.371SS..EExtended strand (participates in β ladder)trans-133.2136.1170.858.30000110L338 L339S330-L338 CarbonylContact O-C 3.56Å; S330-L338 WeakPolarHBondContact O-CA 3.46Å; S330-L338 WeakPolarHBondContact O-CD1 3.47Å; S330-L339 PolarHBondContact N-O 2.67Å; S330-L339 PolarHBondContact O-N 2.8Å
331F88.6Confident86.5Confident42 Ų4267.1 Ų67.118%0.18438%0.38CS..EExtended strand (participates in β ladder)trans-114.8124.7-179.7179.1-116.8000110.6M313 V317 V318 C320 K336 T337 L338M313-F331 HydrophobicContact CB-CE2 4.1Å; M313-F331 HydrophobicContact CG-CD2 4.3Å; M313-F331 HydrophobicContact CG-CE2 3.67Å; V317-F331 HydrophobicContact CG1-CZ 4.13Å; V318-F331 WeakPolarHBondContact O-CE1 3.21Å; C320-F331 HydrophobicContact CB-CB 4.06Å; C320-F331 HydrophobicContact CB-CD1 4.33Å; C320-F331 HydrophobicContact CB-CD2 4.37Å; C320-F331 HydrophobicContact CB-CG 3.99Å; F331-K336 HydrophobicContact CZ-CD 4.24Å; F331-T337 WeakPolarHBondContact CD2-O 3.18Å; F331-L338 HydrophobicContact CB-CD1 3.79Å; F331-L338 HydrophobicContact CD2-CB 4Å; F331-L338 HydrophobicContact CD2-CD1 4.39Å
332E90Very high86.8Confident112 Ų11260.5 Ų60.552%0.52334%0.344SS..EExtended strand (participates in β ladder)trans-97.8110.5173-174.3173.1-129.800109.9T334 S335 K336 T337E332-T334 VanDerWaalsContact C-N 3.31Å; E332-T334 PolarHBondContact O-N 3.43Å; E332-S335 WeakPolarHBondContact CB-OG 3.25Å; E332-S335 WeakPolarHBondContact CG-OG 3.48Å; E332-S335 WeakPolarHBondContact OE2-CB 3.28Å; E332-S335 PolarHBondContact OE2-OG 2.96Å; E332-K336 VanDerWaalsContact O-CA 3.29Å; E332-K336 WeakPolarHBondContact O-CA 3.39Å; E332-K336 PolarHBondContact O-N 3.42Å; E332-T337 PolarHBondContact N-O 3.26Å; E332-T337 PolarHBondContact O-N 3.06Å
333S84Confident87Confident65 Ų6560 Ų6046%0.45535%0.35SS..THydrogen-bonded Turntrans-69.4-26.3-173.961.60000113.8K336S333-K336 VanDerWaalsContact O-CD 3.25Å; S333-K336 WeakPolarHBondContact O-CD 3.33Å; S333-K336 WeakPolarHBondContact O-CE 3.29Å; S333-K336 PolarHBondContact O-NZ 2.85Å
334T86.5Confident87.1Confident126 Ų12659.8 Ų59.877%0.77333%0.334SS*.THydrogen-bonded Turntrans-74.8-54.8179.6-51.80000111.5E332 K336E332-T334 VanDerWaalsContact C-N 3.31Å; E332-T334 PolarHBondContact O-N 3.43Å; T334-K336 PolarHBondContact O-N 3.33Å
335S86.9Confident86.7Confident56 Ų5658.4 Ų58.439%0.39233%0.325SS..THydrogen-bonded Turntrans-77-10.9178.468.50000112.9E332 T337E332-S335 WeakPolarHBondContact CB-OG 3.25Å; E332-S335 WeakPolarHBondContact CG-OG 3.48Å; E332-S335 WeakPolarHBondContact OE2-CB 3.28Å; E332-S335 PolarHBondContact OE2-OG 2.96Å; S335-T337 WeakPolarHBondContact CB-OG1 3.09Å; S335-T337 PolarHBondContact O-N 2.91Å; S335-T337 PolarHBondContact O-OG1 3.39Å; S335-T337 WeakPolarHBondContact OG-CB 3.46Å; S335-T337 PolarHBondContact OG-N 2.95Å; S335-T337 PolarHBondContact OG-OG1 2.54Å
336K86Confident86.2Confident46 Ų4657.7 Ų57.720%0.231%0.312CS..THydrogen-bonded Turntrans5733.6-170.5-55.5-65.2176.6-1640111.5M313 K315 V317 F331 E332 S333 T334M313-K336 HydrophobicContact CB-CB 4.31Å; M313-K336 VanDerWaalsContact CB-O 3.28Å; M313-K336 WeakPolarHBondContact CB-O 3.27Å; M313-K336 PolarHBondContact N-O 2.79Å; K315-K336 VanDerWaalsContact O-CE 3.27Å; K315-K336 WeakPolarHBondContact O-CE 3.3Å; V317-K336 WeakPolarHBondContact O-CD 3.35Å; V317-K336 WeakPolarHBondContact O-CE 3.48Å; V317-K336 PolarHBondContact O-NZ 3.38Å; F331-K336 HydrophobicContact CZ-CD 4.24Å; E332-K336 VanDerWaalsContact O-CA 3.29Å; E332-K336 WeakPolarHBondContact O-CA 3.39Å; E332-K336 PolarHBondContact O-N 3.42Å; S333-K336 VanDerWaalsContact O-CD 3.25Å; S333-K336 WeakPolarHBondContact O-CD 3.33Å; S333-K336 WeakPolarHBondContact O-CE 3.29Å; S333-K336 PolarHBondContact O-NZ 2.85Å; T334-K336 PolarHBondContact O-N 3.33Å
337T87.4Confident84.9Confident30 Ų3057.4 Ų57.418%0.18432%0.319CS..EExtended strand (participates in β ladder)trans-103.6125.4-178-53.60000110.6T310 I311 F331 E332 S335 L339T310-T337 HydrophobicContact CG2-CG2 3.56Å; I311-T337 CarbonylContact O-C 3.47Å; I311-T337 WeakPolarHBondContact O-CA 3.27Å; F331-T337 WeakPolarHBondContact CD2-O 3.18Å; E332-T337 PolarHBondContact N-O 3.26Å; E332-T337 PolarHBondContact O-N 3.06Å; S335-T337 WeakPolarHBondContact CB-OG1 3.09Å; S335-T337 PolarHBondContact O-N 2.91Å; S335-T337 PolarHBondContact O-OG1 3.39Å; S335-T337 WeakPolarHBondContact OG-CB 3.46Å; S335-T337 PolarHBondContact OG-N 2.95Å; S335-T337 PolarHBondContact OG-OG1 2.54Å; T337-L339 HydrophobicContact CG2-CD2 4.49Å
338L86.5Confident83.5Confident2 Ų259.9 Ų59.91%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-97.4130.7165.817978.5000108.3I311 M313 C320 L322 S330 F331 L353I311-L338 HydrophobicContact CB-CB 4.08Å; I311-L338 VanDerWaalsContact CB-O 3.28Å; I311-L338 WeakPolarHBondContact CB-O 3.22Å; I311-L338 HydrophobicContact CD1-CB 3.67Å; I311-L338 HydrophobicContact CD1-CD2 3.5Å; I311-L338 VanDerWaalsContact CD1-CD2 3.5Å; I311-L338 HydrophobicContact CD1-CG 3.56Å; I311-L338 WeakPolarHBondContact CD1-O 3.4Å; I311-L338 HydrophobicContact CG1-CB 4.35Å; I311-L338 WeakPolarHBondContact CG1-O 3.49Å; I311-L338 PolarHBondContact N-O 2.73Å; I311-L338 PolarHBondContact O-N 2.81Å; M313-L338 HydrophobicContact CE-CB 3.42Å; M313-L338 VanDerWaalsContact CE-CB 3.42Å; M313-L338 HydrophobicContact CE-CD2 3.21Å; M313-L338 HydrophobicContact CE-CG 3.92Å; M313-L338 HydrophobicContact CG-CB 4.38Å; C320-L338 HydrophobicContact CB-CD1 4.23Å; L322-L338 HydrophobicContact CD1-CD1 4.3Å; L322-L338 HydrophobicContact CD1-CD2 3.29Å; L322-L338 HydrophobicContact CD1-CG 4.49Å; S330-L338 CarbonylContact O-C 3.56Å; S330-L338 WeakPolarHBondContact O-CA 3.46Å; S330-L338 WeakPolarHBondContact O-CD1 3.47Å; F331-L338 HydrophobicContact CB-CD1 3.79Å; F331-L338 HydrophobicContact CD2-CB 4Å; F331-L338 HydrophobicContact CD2-CD1 4.39Å; L338-L353 HydrophobicContact CD2-CD2 3.42Å; L338-L353 VanDerWaalsContact CD2-CD2 3.42Å
339L89.4Confident81.8Confident60 Ų6055.1 Ų55.131%0.31432%0.316SS..EExtended strand (participates in β ladder)trans-105.4138.1172.2-66.9167000108.3L308 F309 T310 T329 S330 T337L308-L339 HydrophobicContact CD1-CB 4.49Å; L308-L339 HydrophobicContact CD1-CD2 4.28Å; F309-L339 WeakPolarHBondContact O-CA 3.46Å; T310-L339 HydrophobicContact CG2-CD2 3.97Å; T329-L339 CarbonylContact C-O 3.56Å; T329-L339 VanDerWaalsContact CA-O 3.23Å; T329-L339 WeakPolarHBondContact CA-O 3.46Å; S330-L339 PolarHBondContact N-O 2.67Å; S330-L339 PolarHBondContact O-N 2.8Å; T337-L339 HydrophobicContact CG2-CD2 4.49Å
340W87.6Confident80.2Confident0 Ų057.6 Ų57.60%033%0.331CS..EExtended strand (participates in β ladder)trans-131.6106.3174.2179.337.5000110.6V294 L308 F309 Q326 R328 T329 V342 V351 N352 L353V294-W340 HydrophobicContact CG2-CH2 4.27Å; V294-W340 HydrophobicContact CG2-CZ3 3.77Å; L308-W340 WeakPolarHBondContact CA-O 3.27Å; F309-W340 HydrophobicContact CB-CB 4.36Å; F309-W340 HydrophobicContact CB-CE3 4.17Å; F309-W340 HydrophobicContact CD2-CD2 4.34Å; F309-W340 AromaticContact CD2-CE3 3.43Å; F309-W340 HydrophobicContact CD2-CE3 3.43Å; F309-W340 VanDerWaalsContact CD2-CE3 3.43Å; F309-W340 AromaticContact CD2-CZ3 3.71Å; F309-W340 HydrophobicContact CD2-CZ3 3.71Å; F309-W340 HydrophobicContact CE2-CE3 4.01Å; F309-W340 AromaticContact CE2-CZ3 3.78Å; F309-W340 HydrophobicContact CE2-CZ3 3.78Å; F309-W340 AromaticContact CG-CE3 3.87Å; F309-W340 HydrophobicContact CG-CE3 3.87Å; F309-W340 HydrophobicContact CG-CZ3 4.32Å; F309-W340 HydrophobicContact CZ-CZ3 4.47Å; F309-W340 PolarHBondContact N-O 2.83Å; F309-W340 PolarHBondContact O-N 2.81Å; Q326-W340 PolarHBondContact O-NE1 2.89Å; R328-W340 WeakPolarHBondContact O-CA 3.41Å; T329-W340 HydrophobicContact CG2-CB 4.13Å; T329-W340 VanDerWaalsContact CG2-CD1 3.49Å; T329-W340 HydrophobicContact CG2-CG 3.97Å; W340-V342 HydrophobicContact CD2-CG2 3.65Å; W340-V342 VanDerWaalsContact CE2-CG2 3.44Å; W340-V342 HydrophobicContact CE3-CG2 3.81Å; W340-V342 HydrophobicContact CG-CG2 4.37Å; W340-V342 HydrophobicContact CH2-CG2 3.6Å; W340-V342 HydrophobicContact CZ2-CG2 3.46Å; W340-V342 VanDerWaalsContact CZ2-CG2 3.46Å; W340-V342 HydrophobicContact CZ3-CG2 3.77Å; W340-V351 HydrophobicContact CH2-CB 3.74Å; W340-V351 HydrophobicContact CH2-CG1 3.6Å; W340-V351 WeakPolarHBondContact CH2-O 3.22Å; W340-V351 HydrophobicContact CZ2-CB 4Å; W340-V351 HydrophobicContact CZ2-CG1 3.3Å; W340-N352 WeakPolarHBondContact CH2-O 3.43Å; W340-N352 VanDerWaalsContact CZ2-C 3.4Å; W340-N352 WeakPolarHBondContact CZ2-O 3.45Å; W340-L353 HydrophobicContact CB-CB 4.32Å; W340-L353 HydrophobicContact CD2-CB 3.46Å; W340-L353 VanDerWaalsContact CD2-CB 3.46Å; W340-L353 HydrophobicContact CE3-CB 3.56Å; W340-L353 HydrophobicContact CG-CB 3.84Å; W340-L353 HydrophobicContact CH2-CB 4.44Å; W340-L353 VanDerWaalsContact CH2-N 3.29Å; W340-L353 HydrophobicContact CZ2-CB 4.32Å; W340-L353 HydrophobicContact CZ3-CB 4.08Å; W340-L353 WeakPolarHBondContact CZ3-O 3.23Å
341E88.9Confident78.5Confident71 Ų7154.9 Ų54.933%0.33231%0.312SS..EExtended strand (participates in β ladder)trans-92.4100178.8-70.7-179.3-124.700109.6L308 G327 R328L308-E341 HydrophobicContact CD1-CB 4.46Å; L308-E341 HydrophobicContact CD1-CG 3.57Å; G327-E341 CarbonylContact C-O 3.58Å; G327-E341 WeakPolarHBondContact CA-O 3.46Å; R328-E341 HydrophobicContact CG-CB 3.92Å; R328-E341 IonicContact CZ-OE1 3.04Å; R328-E341 IonicContact CZ-OE2 3.95Å; R328-E341 PolarHBondContact N-O 3.19Å; R328-E341 IonicContact NE-OE1 2.7Å; R328-E341 PolarHBondContact NE-OE1 2.92Å; R328-E341 IonicContact NE-OE2 3.38Å; R328-E341 PolarHBondContact NE-OE2 3.04Å; R328-E341 VanDerWaalsContact NE-OE2 3.13Å; R328-E341 IonicContact NH1-OE2 2.96Å; R328-E341 IonicContact NH2-OE1 3.59Å; R328-E341 PolarHBondContact NH2-OE1 3.13Å; R328-E341 IonicContact NH2-OE2 2.97Å; R328-E341 PolarHBondContact NH2-OE2 2.77Å; R328-E341 PolarHBondContact O-N 2.84Å
342V87.1Confident76.2Confident7 Ų755.4 Ų55.44%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-79.1-35.9177.4-177.10000110.9V307 F309 Q326 W340 R344 L345 V351V307-V342 HydrophobicContact CB-CB 4.04Å; V307-V342 HydrophobicContact CG1-CB 4.04Å; V307-V342 HydrophobicContact CG1-CG2 4.17Å; V307-V342 PolarHBondContact O-N 2.92Å; F309-V342 HydrophobicContact CD2-CG2 4.03Å; F309-V342 HydrophobicContact CE2-CG2 4.01Å; Q326-V342 HydrophobicContact CG-CG1 4.46Å; W340-V342 HydrophobicContact CD2-CG2 3.65Å; W340-V342 VanDerWaalsContact CE2-CG2 3.44Å; W340-V342 HydrophobicContact CE3-CG2 3.81Å; W340-V342 HydrophobicContact CG-CG2 4.37Å; W340-V342 HydrophobicContact CH2-CG2 3.6Å; W340-V342 HydrophobicContact CZ2-CG2 3.46Å; W340-V342 VanDerWaalsContact CZ2-CG2 3.46Å; W340-V342 HydrophobicContact CZ3-CG2 3.77Å; V342-R344 PolarHBondContact O-N 3.48Å; V342-L345 HydrophobicContact CG1-CD1 4.33Å; V342-V351 HydrophobicContact CG1-CG1 4.35Å
343G84Confident74Confident32 Ų3250.5 Ų50.533%0.3329%0.294SS..EExtended strand (participates in β ladder)trans76.9-103.9-172.900000110.6E305 D306 V307E305-G343 CarbonylContact C-O 3.56Å; D306-G343 PolarHBondContact N-O 3.27Å; V307-G343 PolarHBondContact N-O 3.24Å; V307-G343 PolarHBondContact O-N 2.82Å
344R83.3Confident72.3Confident132 Ų13247.7 Ų47.750%0.49827%0.273SS..EExtended strand (participates in β ladder)trans-99.6123.1-174.7-172.9174.5179.1-143.4-12.1111.9L304 Q326 V342 E346L304-R344 CarbonylContact O-C 3.51Å; L304-R344 WeakPolarHBondContact O-CA 3.47Å; Q326-R344 PolarHBondContact NE2-O 3.33Å; V342-R344 PolarHBondContact O-N 3.48Å; R344-E346 IonicContact CZ-OE1 3.94Å; R344-E346 IonicContact NE-OE1 2.72Å; R344-E346 IonicContact NH1-OE1 3.5Å; R344-E346 IonicContact NH2-OE1 3.65Å; R344-E346 PolarHBondContact NH2-OE1 3.34Å
345L78.3Confident70Confident1 Ų142.2 Ų42.21%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-114.5124.6178.5-17268.1000110.8V294 L296 T303 L304 V307 V342 N349 V351V294-L345 HydrophobicContact CG1-CD2 3.86Å; L296-L345 HydrophobicContact CD1-CB 4.22Å; L296-L345 HydrophobicContact CD1-CD2 3.48Å; L296-L345 VanDerWaalsContact CD1-CD2 3.48Å; L296-L345 HydrophobicContact CD1-CG 3.68Å; T303-L345 WeakPolarHBondContact CA-O 3.28Å; L304-L345 HydrophobicContact CB-CB 4.26Å; L304-L345 HydrophobicContact CD1-CD2 4.36Å; L304-L345 PolarHBondContact N-O 2.83Å; L304-L345 PolarHBondContact O-N 2.79Å; V307-L345 HydrophobicContact CG2-CB 4.08Å; V342-L345 HydrophobicContact CG1-CD1 4.33Å; L345-N349 HydrophobicContact CD1-CB 4.48Å; L345-V351 HydrophobicContact CD1-CB 4.14Å; L345-V351 HydrophobicContact CD1-CG2 3.18Å
346E73.6Confident68.2Low69 Ų6943.4 Ų43.432%0.32224%0.242SC..EExtended strand (participates in β ladder)trans-109.6154.8178.9-52.8-162.5149.100111.2T303 R344 S348 N349T303-E346 HydrophobicContact CG2-CB 4.44Å; T303-E346 HydrophobicContact CG2-CG 3.71Å; R344-E346 IonicContact CZ-OE1 3.94Å; R344-E346 IonicContact NE-OE1 2.72Å; R344-E346 IonicContact NH1-OE1 3.5Å; R344-E346 IonicContact NH2-OE1 3.65Å; R344-E346 PolarHBondContact NH2-OE1 3.34Å; E346-S348 PolarHBondContact O-N 2.86Å; E346-N349 PolarHBondContact O-N 2.9Å
347A59.9Low66.8Low46 Ų4641.3 Ų41.338%0.3823%0.233SC..THydrogen-bonded Turntrans-57.2-23-173.100000115.7L296L296-A347 HydrophobicContact CB-CB 4.47Å; L296-A347 HydrophobicContact CD2-CB 4.36Å
348S56.3Low65.5Low97 Ų9747.4 Ų47.468%0.67825%0.253SS*.THydrogen-bonded Turntrans-86.9-9.8178.856.50000114.4E346E346-S348 PolarHBondContact O-N 2.86Å
349N55.3Low65Low63 Ų6347.6 Ų47.634%0.33725%0.253SS..  trans-104.3112.2-169.2-67.8-0.6000110.3L345 E346 V351L345-N349 HydrophobicContact CD1-CB 4.48Å; E346-N349 PolarHBondContact O-N 2.9Å; N349-V351 HydrophobicContact CB-CG2 4.05Å
350T55Low64.1Low94 Ų9445.9 Ų45.958%0.57725%0.246SC*.  trans-81.7123.9161.945.20000108.8T293 V294T293-T350 HydrophobicContact CG2-CG2 4.04Å; V294-T350 CarbonylContact O-C 3.59Å; V294-T350 WeakPolarHBondContact O-CA 3.31Å
351V53.7Low63.6Low2 Ų246 Ų461%0.01225%0.246CC..BIsolated β-bridgetrans-127.9138.8-173.6-155.10000109.9T293 V294 S325 Q326 W340 V342 L345 N349T293-V351 CarbonylContact C-O 3.55Å; T293-V351 WeakPolarHBondContact CA-O 2.84Å; V294-V351 WeakPolarHBondContact CA-O 3.32Å; V294-V351 WeakPolarHBondContact CB-O 3.17Å; V294-V351 PolarHBondContact N-O 3.11Å; V294-V351 PolarHBondContact O-N 3.38Å; S325-V351 VanDerWaalsContact OG-CG1 3.26Å; S325-V351 WeakPolarHBondContact OG-CG1 2.85Å; Q326-V351 HydrophobicContact CB-CG1 3.41Å; Q326-V351 VanDerWaalsContact CB-CG1 3.41Å; W340-V351 HydrophobicContact CH2-CB 3.74Å; W340-V351 HydrophobicContact CH2-CG1 3.6Å; W340-V351 WeakPolarHBondContact CH2-O 3.22Å; W340-V351 HydrophobicContact CZ2-CB 4Å; W340-V351 HydrophobicContact CZ2-CG1 3.3Å; V342-V351 HydrophobicContact CG1-CG1 4.35Å; L345-V351 HydrophobicContact CD1-CB 4.14Å; L345-V351 HydrophobicContact CD1-CG2 3.18Å; N349-V351 HydrophobicContact CB-CG2 4.05Å
352N41Very low63.1Low53 Ų5345.4 Ų45.428%0.28325%0.245SC..  trans-111.2121.1-168.2-71.8-5.4000113.7M292 T293 S325 W340M292-N352 CarbonylContact O-C 3.49Å; M292-N352 WeakPolarHBondContact O-CA 3.14Å; M292-N352 WeakPolarHBondContact O-CB 3.28Å; M292-N352 PolarHBondContact O-OD1 3.46Å; T293-N352 WeakPolarHBondContact CA-OD1 3.18Å; T293-N352 WeakPolarHBondContact CB-OD1 3.4Å; T293-N352 WeakPolarHBondContact CG2-OD1 3.36Å; T293-N352 PolarHBondContact OG1-OD1 2.8Å; S325-N352 PolarHBondContact OG-N 3.18Å; W340-N352 WeakPolarHBondContact CH2-O 3.43Å; W340-N352 VanDerWaalsContact CZ2-C 3.4Å; W340-N352 WeakPolarHBondContact CZ2-O 3.45Å
353L43.6Very low62.8Low9 Ų950.6 Ų50.65%0.04727%0.269CS..  trans159.1163.4152.8-104.4112.4000113.3F290 M292 L322 P324 T329 L338 W340F290-L353 HydrophobicContact CD1-CD2 4.33Å; F290-L353 HydrophobicContact CD1-CG 4.37Å; F290-L353 HydrophobicContact CE1-CB 4.29Å; F290-L353 HydrophobicContact CE1-CD2 3.84Å; F290-L353 HydrophobicContact CE1-CG 3.72Å; M292-L353 WeakPolarHBondContact CG-O 3.24Å; M292-L353 PolarHBondContact O-N 2.91Å; L322-L353 HydrophobicContact CB-CD1 4.04Å; L322-L353 HydrophobicContact CB-CD2 3.89Å; L322-L353 HydrophobicContact CD1-CD2 3.48Å; L322-L353 VanDerWaalsContact CD1-CD2 3.48Å; L322-L353 HydrophobicContact CG-CD2 4.15Å; P324-L353 HydrophobicContact CB-CD1 4.28Å; T329-L353 HydrophobicContact CG2-CD1 4.31Å; T329-L353 HydrophobicContact CG2-CD2 3.83Å; L338-L353 HydrophobicContact CD2-CD2 3.42Å; L338-L353 VanDerWaalsContact CD2-CD2 3.42Å; W340-L353 HydrophobicContact CB-CB 4.32Å; W340-L353 HydrophobicContact CD2-CB 3.46Å; W340-L353 VanDerWaalsContact CD2-CB 3.46Å; W340-L353 HydrophobicContact CE3-CB 3.56Å; W340-L353 HydrophobicContact CG-CB 3.84Å; W340-L353 HydrophobicContact CH2-CB 4.44Å; W340-L353 VanDerWaalsContact CH2-N 3.29Å; W340-L353 HydrophobicContact CZ2-CB 4.32Å; W340-L353 HydrophobicContact CZ3-CB 4.08Å; W340-L353 WeakPolarHBondContact CZ3-O 3.23Å
354R48.6Very low62.4Low6 Ų650.8 Ų50.82%0.02326%0.262CS..  trans-70.3163.1-153.8-130.2177.4-74.9-164.818.2113.8F280 F290 M292 F309 I311 M313F280-R354 HydrophobicContact CE1-CG 3.9Å; F280-R354 VanDerWaalsContact CE1-NH1 3.29Å; F280-R354 HydrophobicContact CZ-CG 3.91Å; F290-R354 VanDerWaalsContact CD1-CZ 3.47Å; F290-R354 HydrophobicContact CD2-CG 4.16Å; F290-R354 HydrophobicContact CE1-CB 3.51Å; F290-R354 HydrophobicContact CE1-CG 3.79Å; F290-R354 HydrophobicContact CE2-CB 3.9Å; F290-R354 HydrophobicContact CE2-CG 3.25Å; F290-R354 HydrophobicContact CZ-CB 3.09Å; F290-R354 HydrophobicContact CZ-CG 3.04Å; M292-R354 VanDerWaalsContact CE-CA 3.45Å; M292-R354 HydrophobicContact CE-CB 4.19Å; M292-R354 HydrophobicContact CE-CG 3.98Å; M292-R354 WeakPolarHBondContact SD-CA 3.29Å; F309-R354 WeakPolarHBondContact CB-O 3.28Å; I311-R354 HydrophobicContact CB-CB 3.94Å; I311-R354 HydrophobicContact CB-CG 4.48Å; I311-R354 HydrophobicContact CD1-CB 3.28Å; I311-R354 WeakPolarHBondContact CD1-O 3.25Å; I311-R354 HydrophobicContact CG1-CB 3.42Å; I311-R354 VanDerWaalsContact CG1-CB 3.42Å; I311-R354 HydrophobicContact CG1-CG 4.42Å; I311-R354 WeakPolarHBondContact CG1-O 3.08Å; I311-R354 HydrophobicContact CG2-CB 3.48Å; I311-R354 VanDerWaalsContact CG2-CB 3.48Å; I311-R354 HydrophobicContact CG2-CG 3.49Å; I311-R354 VanDerWaalsContact CG2-CG 3.49Å; M313-R354 PolarHBondContact SD-NH1 3.29Å; M313-R354 PolarHBondContact SD-NH2 2.98Å
355G38.6Very low62.3Low10 Ų1045.3 Ų45.310%0.10324%0.244CC..  trans134.7172.7144.600000122.5F309 T310F309-G355 WeakPolarHBondContact CD1-O 3.42Å; T310-G355 CarbonylContact O-C 3.55Å; T310-G355 WeakPolarHBondContact O-CA 3.37Å
356M48.5Very low62.4Low82 Ų8246.9 Ų46.940%0.40425%0.253SS..EExtended strand (participates in β ladder)trans-66.5130166.3-178.9-179.972.100109.2F309 T310 F396F309-M356 CarbonylContact C-O 3.55Å; F309-M356 VanDerWaalsContact CA-O 3.27Å; F309-M356 WeakPolarHBondContact CA-O 2.86Å; T310-M356 PolarHBondContact N-O 2.82Å; T310-M356 PolarHBondContact O-N 3.02Å; M356-F396 WeakPolarHBondContact CG-O 3.26Å
357V56.5Low62.9Low2 Ų244.7 Ų44.71%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-103.1126.6-163.5-161.10000110.6I274 V307 L308 F309 F359 A393 F396 I398I274-V357 HydrophobicContact CD1-CB 4.11Å; I274-V357 HydrophobicContact CD1-CG1 3.87Å; I274-V357 HydrophobicContact CD1-CG2 3.72Å; V307-V357 HydrophobicContact CG1-CG1 4.44Å; L308-V357 CarbonylContact O-C 3.47Å; L308-V357 WeakPolarHBondContact O-CA 3.2Å; F309-V357 HydrophobicContact CD1-CB 4.39Å; F309-V357 HydrophobicContact CD1-CG1 4.33Å; F309-V357 HydrophobicContact CD1-CG2 3.5Å; F309-V357 HydrophobicContact CE1-CB 4.2Å; F309-V357 HydrophobicContact CE1-CG1 3.94Å; F309-V357 HydrophobicContact CE1-CG2 3.23Å; F309-V357 HydrophobicContact CE2-CG1 4.29Å; F309-V357 HydrophobicContact CG-CG2 4.42Å; F309-V357 HydrophobicContact CZ-CG1 3.86Å; F309-V357 HydrophobicContact CZ-CG2 3.99Å; V357-F359 HydrophobicContact CB-CD1 4.41Å; V357-F359 HydrophobicContact CG1-CD1 3.85Å; V357-A393 WeakPolarHBondContact O-CB 3.15Å; V357-F396 HydrophobicContact CB-CD1 3.97Å; V357-F396 HydrophobicContact CG2-CD1 3.87Å; V357-F396 HydrophobicContact CG2-CE1 4.26Å; V357-F396 PolarHBondContact N-O 3.03Å; V357-I398 HydrophobicContact CG2-CD1 3.84Å
358R60Low64.1Low158 Ų15844.9 Ų44.960%0.59625%0.251SS*.EExtended strand (participates in β ladder)trans-104.9130.7158.4-70.1-177.1177.7163.5-0.9107.8V307 L308V307-R358 CarbonylContact C-O 3.53Å; V307-R358 WeakPolarHBondContact CA-O 2.9Å; L308-R358 HydrophobicContact CB-CB 4.44Å; L308-R358 PolarHBondContact N-O 2.79Å; L308-R358 PolarHBondContact O-N 2.88Å
359F75.1Confident65.8Low5 Ų540.4 Ų40.42%0.02222%0.22CC..EExtended strand (participates in β ladder)trans-147.9156.1174.263-100.1000109I187 P273 L304 V307 V357 V361 R392 A393 F396I187-F359 HydrophobicContact CD1-CZ 4.42Å; P273-F359 HydrophobicContact CG-CE1 3.95Å; P273-F359 HydrophobicContact CG-CE2 3.77Å; P273-F359 HydrophobicContact CG-CZ 3.43Å; P273-F359 VanDerWaalsContact CG-CZ 3.43Å; L304-F359 HydrophobicContact CD2-CD2 3.96Å; L304-F359 HydrophobicContact CD2-CG 4.44Å; V307-F359 HydrophobicContact CG2-CB 4.11Å; V357-F359 HydrophobicContact CB-CD1 4.41Å; V357-F359 HydrophobicContact CG1-CD1 3.85Å; F359-V361 HydrophobicContact CD2-CG2 3.67Å; F359-V361 HydrophobicContact CE2-CG2 3.81Å; F359-R392 VanDerWaalsContact O-CA 3.31Å; F359-R392 WeakPolarHBondContact O-CA 3.2Å; F359-A393 HydrophobicContact CD1-CB 3.68Å; F359-A393 HydrophobicContact CE1-CB 3.62Å; F359-A393 HydrophobicContact CG-CB 4.18Å; F359-A393 HydrophobicContact CZ-CB 4.07Å; F359-A393 PolarHBondContact O-N 3.39Å; F359-F396 AromaticContact CE1-CD2 3.86Å; F359-F396 HydrophobicContact CE1-CD2 3.86Å; F359-F396 HydrophobicContact CE1-CE2 4.07Å; F359-F396 HydrophobicContact CE1-CG 4.24Å; F359-F396 HydrophobicContact CZ-CD2 4.33Å; F359-F396 HydrophobicContact CZ-CE2 4.44Å
360T71.6Confident67.7Low25 Ų2543.4 Ų43.415%0.15323%0.23CC..EExtended strand (participates in β ladder)trans-125139168.5-59.60000109.5E305 V390 T391 R392E305-T360 PolarHBondContact N-O 2.88Å; E305-T360 PolarHBondContact O-N 3.26Å; T360-V390 HydrophobicContact CG2-CG1 3.79Å; T360-T391 CarbonylContact C-O 3.56Å; T360-T391 WeakPolarHBondContact CA-O 3.48Å; T360-R392 HydrophobicContact CG2-CG 4.21Å
361V76.1Confident69.6Low1 Ų139.7 Ų39.71%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-123.8110174.6-150.60000108.1F299 L304 F359 I364 T391F299-V361 HydrophobicContact CE1-CG1 4.14Å; L304-V361 HydrophobicContact CD2-CB 4.11Å; L304-V361 HydrophobicContact CD2-CG1 4Å; L304-V361 HydrophobicContact CD2-CG2 3.17Å; F359-V361 HydrophobicContact CD2-CG2 3.67Å; F359-V361 HydrophobicContact CE2-CG2 3.81Å; V361-I364 HydrophobicContact CB-CG2 3.51Å; V361-I364 HydrophobicContact CG1-CG2 3.37Å; V361-I364 HydrophobicContact CG2-CG2 4.48Å; V361-T391 PolarHBondContact N-O 2.6Å; V361-T391 PolarHBondContact O-N 2.88Å
362N79.5Confident71.6Confident60 Ų6043 Ų4332%0.32123%0.23SC..EExtended strand (participates in β ladder)trans-82.1144.8178.4-74.4-49.5000110.8E305 I364E305-N362 PolarHBondContact OE2-ND2 2.78Å; N362-I364 PolarHBondContact O-N 2.71Å
363Q79.3Confident74.2Confident116 Ų11647.6 Ų47.654%0.54224%0.243SC..THydrogen-bonded Turntrans63.533.3177-53.4-62.4-17.900115.1Y389Q363-Y389 WeakPolarHBondContact CA-O 3.05Å; Q363-Y389 PolarHBondContact N-O 2.96Å
364I77Confident76.7Confident35 Ų3547.7 Ų47.718%0.17925%0.245CC..  trans-144.6147173-165.1147.7000112.1F299 V361 N362 Y389 V390 T391F299-I364 HydrophobicContact CD1-CD1 4.24Å; F299-I364 HydrophobicContact CE1-CD1 3.5Å; F299-I364 HydrophobicContact CE1-CG1 4.41Å; F299-I364 HydrophobicContact CE1-CG2 4.36Å; F299-I364 HydrophobicContact CZ-CD1 4.11Å; V361-I364 HydrophobicContact CB-CG2 3.51Å; V361-I364 HydrophobicContact CG1-CG2 3.37Å; V361-I364 HydrophobicContact CG2-CG2 4.48Å; N362-I364 PolarHBondContact O-N 2.71Å; I364-Y389 VanDerWaalsContact C-CB 3.48Å; I364-Y389 WeakPolarHBondContact O-CB 3.48Å; I364-V390 CarbonylContact O-C 3.5Å; I364-T391 PolarHBondContact O-N 3.13Å; I364-T391 PolarHBondContact O-OG1 2.97Å
365S79.9Confident79Confident18 Ų1848.8 Ų48.813%0.12625%0.251CS..  trans-111.2122.7161.9152.70000106.4E185 S367 G368 V369E185-S365 VanDerWaalsContact CD-OG 3.24Å; E185-S365 WeakPolarHBondContact OE1-CB 3.41Å; E185-S365 PolarHBondContact OE1-OG 2.86Å; E185-S365 WeakPolarHBondContact OE2-CA 2.9Å; E185-S365 PolarHBondContact OE2-OG 2.88Å; S365-S367 VanDerWaalsContact C-N 3.35Å; S365-S367 PolarHBondContact OG-OG 2.91Å; S365-S367 VanDerWaalsContact OG-OG 3.05Å; S365-G368 PolarHBondContact O-N 3.19Å; S365-G368 PolarHBondContact OG-N 3.18Å; S365-V369 VanDerWaalsContact CB-O 3.28Å; S365-V369 WeakPolarHBondContact CB-O 3.4Å; S365-V369 PolarHBondContact OG-N 2.89Å; S365-V369 PolarHBondContact OG-O 2.85Å
366L80.4Confident81.7Confident34 Ų3449.8 Ų49.818%0.17825%0.253CS..SBendtrans-77.2-25.1179.2-98.9174.8000112.5E185 I187 I202 P273 F299 G368 T391E185-L366 PolarHBondContact OE2-N 2.88Å; I187-L366 HydrophobicContact CD1-CB 3.78Å; I187-L366 HydrophobicContact CD1-CD1 3.06Å; I187-L366 HydrophobicContact CD1-CG 3.95Å; I202-L366 HydrophobicContact CD1-CB 4.48Å; P273-L366 HydrophobicContact CB-CD1 4.13Å; P273-L366 HydrophobicContact CG-CD1 3.99Å; F299-L366 HydrophobicContact CE2-CD1 4.35Å; F299-L366 HydrophobicContact CE2-CD2 3.62Å; F299-L366 HydrophobicContact CE2-CG 4.42Å; F299-L366 HydrophobicContact CZ-CD1 3.85Å; F299-L366 HydrophobicContact CZ-CD2 3.32Å; F299-L366 HydrophobicContact CZ-CG 3.75Å; L366-G368 PolarHBondContact O-N 2.89Å; L366-T391 HydrophobicContact CB-CG2 4.08Å; L366-T391 HydrophobicContact CD1-CG2 3.82Å; L366-T391 HydrophobicContact CG-CG2 4.18Å; L366-T391 PolarHBondContact N-OG1 2.96Å
367S84.7Confident83.9Confident23 Ų2351.3 Ų51.316%0.16126%0.255CS..SBendtrans-71.7-19.5171.6750000113.6E185 S365 V369E185-S367 WeakPolarHBondContact OE1-CB 3.44Å; E185-S367 PolarHBondContact OE1-OG 2.68Å; E185-S367 PolarHBondContact OE2-N 2.94Å; S365-S367 VanDerWaalsContact C-N 3.35Å; S365-S367 PolarHBondContact OG-OG 2.91Å; S365-S367 VanDerWaalsContact OG-OG 3.05Å; S367-V369 VanDerWaalsContact C-N 3.32Å; S367-V369 VanDerWaalsContact OG-CB 3.32Å; S367-V369 WeakPolarHBondContact OG-CB 3.49Å; S367-V369 WeakPolarHBondContact OG-CG2 3.35Å; S367-V369 PolarHBondContact OG-N 3.27Å
368G86.3Confident85.5Confident49 Ų4954.6 Ų54.651%0.50529%0.29SS..  trans82.87.1-169.900000113.9S365 L366 K370S365-G368 PolarHBondContact O-N 3.19Å; S365-G368 PolarHBondContact OG-N 3.18Å; L366-G368 PolarHBondContact O-N 2.89Å; G368-K370 PolarHBondContact O-N 2.92Å
369V91.2Very high87.1Confident4 Ų450 Ų502%0.02428%0.275CS..  trans-56.4123.5169.7167.50000109.1V183 F222 L227 F228 F262 I264 S365 S367 Y389V183-V369 HydrophobicContact CG1-CG1 4.13Å; F222-V369 HydrophobicContact CD1-CG1 3.79Å; F222-V369 HydrophobicContact CE1-CG1 3.85Å; L227-V369 HydrophobicContact CB-CG2 4.34Å; L227-V369 HydrophobicContact CD1-CG2 3.93Å; F228-V369 HydrophobicContact CD1-CG2 4.33Å; F228-V369 HydrophobicContact CE1-CG1 4.16Å; F228-V369 HydrophobicContact CE1-CG2 3.48Å; F228-V369 VanDerWaalsContact CE1-CG2 3.48Å; F228-V369 HydrophobicContact CZ-CG1 3.99Å; F228-V369 HydrophobicContact CZ-CG2 3.9Å; F262-V369 HydrophobicContact CE2-CG2 4.47Å; I264-V369 HydrophobicContact CD1-CG2 3.8Å; S365-V369 VanDerWaalsContact CB-O 3.28Å; S365-V369 WeakPolarHBondContact CB-O 3.4Å; S365-V369 PolarHBondContact OG-N 2.89Å; S365-V369 PolarHBondContact OG-O 2.85Å; S367-V369 VanDerWaalsContact C-N 3.32Å; S367-V369 VanDerWaalsContact OG-CB 3.32Å; S367-V369 WeakPolarHBondContact OG-CB 3.49Å; S367-V369 WeakPolarHBondContact OG-CG2 3.35Å; S367-V369 PolarHBondContact OG-N 3.27Å; V369-Y389 VanDerWaalsContact O-CE1 3.28Å; V369-Y389 WeakPolarHBondContact O-CE1 3.32Å
370K94.3Very high87.9Confident126 Ų12659.8 Ų59.855%0.54832%0.317SS..  trans-138.6128.7179.5-172.6174.2179.2-179.70109.3F222 V223 G368 S372F222-K370 CarbonylContact C-O 3.49Å; F222-K370 WeakPolarHBondContact CA-O 3.37Å; V223-K370 HydrophobicContact CB-CB 4.32Å; V223-K370 HydrophobicContact CG2-CB 3.92Å; V223-K370 HydrophobicContact CG2-CD 4.22Å; V223-K370 HydrophobicContact CG2-CG 4.03Å; V223-K370 PolarHBondContact N-O 3.47Å; G368-K370 PolarHBondContact O-N 2.92Å; K370-S372 PolarHBondContact O-N 3.14Å
371V96Very high88.9Confident15 Ų1561.2 Ų61.29%0.09132%0.32CS..EExtended strand (participates in β ladder)trans-65.4120.5168.3178.80000107.9V183 L220 F222 V374 V387 Y389V183-V371 HydrophobicContact CG2-CG2 4.17Å; L220-V371 HydrophobicContact CD1-CG1 4.42Å; L220-V371 HydrophobicContact CD1-CG2 4.46Å; L220-V371 HydrophobicContact CD2-CG1 4.32Å; L220-V371 HydrophobicContact CD2-CG2 4.36Å; L220-V371 HydrophobicContact CG-CG1 4.07Å; F222-V371 HydrophobicContact CD1-CG2 4.35Å; F222-V371 HydrophobicContact CE1-CG2 4.08Å; V371-V374 HydrophobicContact CG1-CG2 3.76Å; V371-V387 HydrophobicContact CB-CG1 4.25Å; V371-V387 HydrophobicContact CB-CG2 4.28Å; V371-V387 HydrophobicContact CG1-CG2 4.27Å; V371-V387 HydrophobicContact CG2-CG1 3.88Å; V371-V387 HydrophobicContact CG2-CG2 4.43Å; V371-Y389 PolarHBondContact N-OH 3.18Å
372S95.6Very high89.8Confident73 Ų7371 Ų7151%0.5136%0.363SS..EExtended strand (participates in β ladder)trans-78.7-52.1177175.50000110.3S221 K370S221-S372 WeakPolarHBondContact O-CB 3.38Å; S221-S372 PolarHBondContact O-N 3.1Å; K370-S372 PolarHBondContact O-N 3.14Å
373R95Very high90.5Very high148 Ų14869 Ų6956%0.55835%0.353SS*.EExtended strand (participates in β ladder)trans-153.7146.3-174.1-171.3169.5174.9178.8-12.6111L220 S221 D375L220-R373 WeakPolarHBondContact CA-O 3.34Å; S221-R373 PolarHBondContact N-O 2.87Å; S221-R373 PolarHBondContact O-N 2.92Å; R373-D375 VanDerWaalsContact CD-OD2 3.27Å; R373-D375 WeakPolarHBondContact CD-OD2 3.44Å; R373-D375 WeakPolarHBondContact CG-OD2 3.15Å; R373-D375 IonicContact CZ-OD1 3.19Å; R373-D375 VanDerWaalsContact CZ-OD1 3.23Å; R373-D375 IonicContact CZ-OD2 3.01Å; R373-D375 VanDerWaalsContact CZ-OD2 3.25Å; R373-D375 IonicContact NE-OD1 2.82Å; R373-D375 PolarHBondContact NE-OD1 2.93Å; R373-D375 IonicContact NE-OD2 3.13Å; R373-D375 PolarHBondContact NE-OD2 3.25Å; R373-D375 IonicContact NH2-OD1 2.6Å; R373-D375 PolarHBondContact NH2-OD1 3.3Å; R373-D375 IonicContact NH2-OD2 2.78Å; R373-D375 PolarHBondContact NH2-OD2 2.89Å
374V96.9Very high91.4Very high12 Ų1269.1 Ų69.17%0.07335%0.352CS..EExtended strand (participates in β ladder)trans-126.1121.7167-178.90000108.2F181 T219 L220 V371 K385F181-V374 HydrophobicContact CD2-CG2 4.34Å; F181-V374 HydrophobicContact CE2-CB 4.48Å; F181-V374 HydrophobicContact CE2-CG1 3.84Å; F181-V374 HydrophobicContact CE2-CG2 4.03Å; F181-V374 HydrophobicContact CZ-CG1 3.89Å; F181-V374 HydrophobicContact CZ-CG2 4.41Å; T219-V374 CarbonylContact O-C 3.56Å; T219-V374 VanDerWaalsContact O-CA 3.24Å; T219-V374 WeakPolarHBondContact O-CA 3.23Å; L220-V374 HydrophobicContact CB-CG2 4.35Å; L220-V374 HydrophobicContact CD1-CG2 4.07Å; L220-V374 HydrophobicContact CG-CG2 3.99Å; V371-V374 HydrophobicContact CG1-CG2 3.76Å; V374-K385 HydrophobicContact CB-CD 4.05Å; V374-K385 HydrophobicContact CG1-CD 3.87Å; V374-K385 PolarHBondContact O-NZ 3.34Å
375D96.1Very high92.3Very high29 Ų2971.8 Ų71.816%0.15536%0.362CS..EExtended strand (participates in β ladder)trans-116152.3174.7-64.1-60.7000111.1L218 T219 R373 Y377L218-D375 WeakPolarHBondContact CA-O 3.39Å; L218-D375 WeakPolarHBondContact CD2-O 3.07Å; T219-D375 PolarHBondContact N-O 2.72Å; T219-D375 PolarHBondContact O-N 3.11Å; R373-D375 VanDerWaalsContact CD-OD2 3.27Å; R373-D375 WeakPolarHBondContact CD-OD2 3.44Å; R373-D375 WeakPolarHBondContact CG-OD2 3.15Å; R373-D375 IonicContact CZ-OD1 3.19Å; R373-D375 VanDerWaalsContact CZ-OD1 3.23Å; R373-D375 IonicContact CZ-OD2 3.01Å; R373-D375 VanDerWaalsContact CZ-OD2 3.25Å; R373-D375 IonicContact NE-OD1 2.82Å; R373-D375 PolarHBondContact NE-OD1 2.93Å; R373-D375 IonicContact NE-OD2 3.13Å; R373-D375 PolarHBondContact NE-OD2 3.25Å; R373-D375 IonicContact NH2-OD1 2.6Å; R373-D375 PolarHBondContact NH2-OD1 3.3Å; R373-D375 IonicContact NH2-OD2 2.78Å; R373-D375 PolarHBondContact NH2-OD2 2.89Å; D375-Y377 HydrophobicContact CB-CE2 3.76Å
376M95.8Very high93.1Very high31 Ų3171.6 Ų71.615%0.15336%0.363CS..EExtended strand (participates in β ladder)trans-124.7135.6175.1-172.2-171.272.600109.4L212 P216 D217 L218 E379 Y381 P383L212-M376 HydrophobicContact CD1-SD 4.27Å; P216-M376 HydrophobicContact CB-CG 3.86Å; P216-M376 HydrophobicContact CB-SD 3.82Å; D217-M376 CarbonylContact O-C 3.59Å; D217-M376 WeakPolarHBondContact O-CA 3.28Å; L218-M376 HydrophobicContact CD2-CB 3.64Å; L218-M376 HydrophobicContact CD2-CG 3.72Å; M376-E379 HydrophobicContact CE-CB 3.71Å; M376-E379 HydrophobicContact SD-CB 4.29Å; M376-Y381 HydrophobicContact CE-CD2 3.93Å; M376-Y381 HydrophobicContact CE-CE2 3.61Å; M376-Y381 WeakPolarHBondContact CE-O 2.81Å; M376-Y381 HydrophobicContact SD-CE2 3.71Å; M376-P383 HydrophobicContact CB-CG 4.36Å; M376-P383 VanDerWaalsContact CE-CD 3.45Å; M376-P383 HydrophobicContact CE-CG 3.95Å; M376-P383 HydrophobicContact SD-CB 4.45Å; M376-P383 HydrophobicContact SD-CG 3.66Å
377Y94.9Very high93.8Very high114 Ų11472.4 Ų72.445%0.44737%0.37SS..EExtended strand (participates in β ladder)trans-125.6168.1177.6-51.1-88.2000110D217 T219 D375 E379D217-Y377 PolarHBondContact N-O 3.42Å; D217-Y377 WeakPolarHBondContact O-CD2 2.84Å; D217-Y377 PolarHBondContact O-N 2.93Å; T219-Y377 HydrophobicContact CG2-CD2 4.44Å; T219-Y377 HydrophobicContact CG2-CE2 3.82Å; D375-Y377 HydrophobicContact CB-CE2 3.76Å; Y377-E379 PolarHBondContact O-N 2.89Å; Y377-E379 VanDerWaalsContact O-N 3.16Å
378G89.8Confident94.3Very high71 Ų7175 Ų7573%0.73238%0.378SS*.SBendtrans83.5-28.4177.500000114.8
379E93.1Very high94.7Very high61 Ų6174.4 Ų74.429%0.28536%0.361SS..  trans-112.7146.9-177.3-63.2-61.2155.600112.8G214 M215 P216 M376 Y377 Y381G214-E379 WeakPolarHBondContact CA-OE1 3.05Å; M215-E379 PolarHBondContact N-OE1 3.12Å; P216-E379 HydrophobicContact CB-CG 4.16Å; M376-E379 HydrophobicContact CE-CB 3.71Å; M376-E379 HydrophobicContact SD-CB 4.29Å; Y377-E379 PolarHBondContact O-N 2.89Å; Y377-E379 VanDerWaalsContact O-N 3.16Å; E379-Y381 HydrophobicContact CB-CD1 4.03Å; E379-Y381 HydrophobicContact CB-CE1 3.53Å; E379-Y381 HydrophobicContact CG-CE1 3.83Å
380K91.6Very high94.7Very high211 Ų21174.4 Ų74.492%0.91736%0.361SS*.SBendtrans-84.7-19.1-174.3-67.9-176.7179.9178.40114.5
381Y94.4Very high94.5Very high54 Ų5468.4 Ų68.421%0.21234%0.335CS..SBendtrans-82.8161.3-17860.8-99.5000111.4N177 L212 S213 M376 E379 P383N177-Y381 HydrophobicContact CB-CD2 3.56Å; N177-Y381 HydrophobicContact CB-CE2 3.4Å; N177-Y381 HydrophobicContact CB-CG 4.44Å; N177-Y381 VanDerWaalsContact CG-CE2 3.49Å; L212-Y381 WeakPolarHBondContact CB-OH 3.34Å; L212-Y381 HydrophobicContact CD2-CE2 4.14Å; S213-Y381 PolarHBondContact N-OH 2.88Å; S213-Y381 VanDerWaalsContact N-OH 3.09Å; S213-Y381 PolarHBondContact O-OH 2.87Å; M376-Y381 HydrophobicContact CE-CD2 3.93Å; M376-Y381 HydrophobicContact CE-CE2 3.61Å; M376-Y381 WeakPolarHBondContact CE-O 2.81Å; M376-Y381 HydrophobicContact SD-CE2 3.71Å; E379-Y381 HydrophobicContact CB-CD1 4.03Å; E379-Y381 HydrophobicContact CB-CE1 3.53Å; E379-Y381 HydrophobicContact CG-CE1 3.83Å; Y381-P383 HydrophobicContact CD2-CB 4.45Å; Y381-P383 HydrophobicContact CE2-CB 4.18Å
382K93.4Very high94.2Very high206 Ų20672.8 Ų72.890%0.89635%0.35SS*.  trans-103.1108174.1-68.9-176.1-179179.30109.6
383P95.4Very high93.8Very high20 Ų2070.1 Ų70.113%0.1333%0.332CS..  trans-76.4151.8-179.932.1-37.2000111.3N177 L212 M376 Y381 K385N177-P383 HydrophobicContact CB-CB 4.26Å; N177-P383 CarbonylContact O-C 3.53Å; N177-P383 WeakPolarHBondContact O-CA 3.17Å; L212-P383 HydrophobicContact CD2-CB 3.49Å; L212-P383 VanDerWaalsContact CD2-CB 3.49Å; L212-P383 HydrophobicContact CD2-CG 4.27Å; M376-P383 HydrophobicContact CB-CG 4.36Å; M376-P383 VanDerWaalsContact CE-CD 3.45Å; M376-P383 HydrophobicContact CE-CG 3.95Å; M376-P383 HydrophobicContact SD-CB 4.45Å; M376-P383 HydrophobicContact SD-CG 3.66Å; Y381-P383 HydrophobicContact CD2-CB 4.45Å; Y381-P383 HydrophobicContact CE2-CB 4.18Å; P383-K385 HydrophobicContact CG-CG 4.35Å
384F97.1Very high93.4Very high117 Ų11764.3 Ų64.351%0.51332%0.318SS..EExtended strand (participates in β ladder)trans-68.5137.4160.3-177.3-93.6000109.3N177 E178 A179 Y180N177-F384 PolarHBondContact O-N 3.01Å; E178-F384 CarbonylContact C-O 3.52Å; E178-F384 WeakPolarHBondContact CA-O 3.18Å; E178-F384 HydrophobicContact CB-CB 4.43Å; E178-F384 HydrophobicContact CG-CB 4.12Å; A179-F384 PolarHBondContact N-O 2.94Å; Y180-F384 HydrophobicContact CD1-CE1 4.41Å; Y180-F384 AromaticContact CE1-CD1 3.93Å; Y180-F384 HydrophobicContact CE1-CD1 3.93Å; Y180-F384 AromaticContact CE1-CE1 3.56Å; Y180-F384 HydrophobicContact CE1-CE1 3.56Å; Y180-F384 AromaticContact CZ-CD1 3.92Å; Y180-F384 AromaticContact CZ-CE1 3.98Å
385K96.1Very high93Very high91 Ų9173.2 Ų73.240%0.39635%0.35SS..EExtended strand (participates in β ladder)trans-127.8116.3179.6-66.3172.7-67.8-175.30108.7A179 V374 P383A179-K385 CarbonylContact O-C 3.51Å; A179-K385 VanDerWaalsContact O-CA 3.29Å; A179-K385 WeakPolarHBondContact O-CA 3.33Å; V374-K385 HydrophobicContact CB-CD 4.05Å; V374-K385 HydrophobicContact CG1-CD 3.87Å; V374-K385 PolarHBondContact O-NZ 3.34Å; P383-K385 HydrophobicContact CG-CG 4.35Å
386G96.3Very high92.5Very high14 Ų1471.8 Ų71.814%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-113.3138.8178.100000111A179 Y180 F181A179-G386 PolarHBondContact O-N 3.17Å; Y180-G386 CarbonylContact C-O 3.5Å; Y180-G386 WeakPolarHBondContact CA-O 3.32Å; F181-G386 PolarHBondContact N-O 3.39Å
387V96.6Very high92.1Very high52 Ų5275 Ų7532%0.31536%0.357SS..EExtended strand (participates in β ladder)trans-124.9129.4169.4-173.30000108.1F181 V183 V371 Y389F181-V387 HydrophobicContact CB-CG1 4.47Å; F181-V387 HydrophobicContact CB-CG2 4.31Å; F181-V387 HydrophobicContact CD2-CG2 4.36Å; F181-V387 CarbonylContact O-C 3.58Å; F181-V387 VanDerWaalsContact O-CA 3.26Å; F181-V387 WeakPolarHBondContact O-CA 3.32Å; V183-V387 HydrophobicContact CG2-CG1 4.17Å; V371-V387 HydrophobicContact CB-CG1 4.25Å; V371-V387 HydrophobicContact CB-CG2 4.28Å; V371-V387 HydrophobicContact CG1-CG2 4.27Å; V371-V387 HydrophobicContact CG2-CG1 3.88Å; V371-V387 HydrophobicContact CG2-CG2 4.43Å; V387-Y389 HydrophobicContact CB-CE2 4.43Å; V387-Y389 HydrophobicContact CG1-CD2 4.43Å; V387-Y389 HydrophobicContact CG1-CE1 4.35Å; V387-Y389 HydrophobicContact CG1-CE2 3.7Å
388K95Very high91.6Very high78 Ų7870.3 Ų70.334%0.33934%0.34SS..EExtended strand (participates in β ladder)trans-118.4143.1174.6-177-178.7178-170.70108.6F181 D182 V183 V390F181-K388 PolarHBondContact O-N 2.95Å; D182-K388 WeakPolarHBondContact OD1-CB 3.49Å; V183-K388 PolarHBondContact N-O 3.19Å; K388-V390 HydrophobicContact CD-CG2 4.14Å; K388-V390 HydrophobicContact CG-CG2 4.15Å
389Y94.3Very high91.2Very high36 Ų3672.6 Ų72.614%0.14133%0.326CS..EExtended strand (participates in β ladder)trans-114134.4173-58.5-93.2000108.9V183 Q363 I364 V369 V371 V387V183-Y389 HydrophobicContact CB-CD1 3.68Å; V183-Y389 HydrophobicContact CB-CE1 3.97Å; V183-Y389 HydrophobicContact CB-CG 4.5Å; V183-Y389 HydrophobicContact CG1-CD1 4Å; V183-Y389 HydrophobicContact CG1-CE1 4.25Å; V183-Y389 HydrophobicContact CG2-CD1 4.09Å; V183-Y389 HydrophobicContact CG2-CE1 3.86Å; V183-Y389 CarbonylContact O-C 3.58Å; V183-Y389 WeakPolarHBondContact O-CA 3.47Å; Q363-Y389 WeakPolarHBondContact CA-O 3.05Å; Q363-Y389 PolarHBondContact N-O 2.96Å; I364-Y389 VanDerWaalsContact C-CB 3.48Å; I364-Y389 WeakPolarHBondContact O-CB 3.48Å; V369-Y389 VanDerWaalsContact O-CE1 3.28Å; V369-Y389 WeakPolarHBondContact O-CE1 3.32Å; V371-Y389 PolarHBondContact N-OH 3.18Å; V387-Y389 HydrophobicContact CB-CE2 4.43Å; V387-Y389 HydrophobicContact CG1-CD2 4.43Å; V387-Y389 HydrophobicContact CG1-CE1 4.35Å; V387-Y389 HydrophobicContact CG1-CE2 3.7Å
390V91.7Very high90.2Very high4 Ų475 Ų752%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-135.1127.8173.8-1750000107.8V183 V184 E185 T360 I364 K388 R392V183-V390 PolarHBondContact O-N 3.16Å; V184-V390 CarbonylContact C-O 3.6Å; V184-V390 VanDerWaalsContact CA-O 3.26Å; V184-V390 WeakPolarHBondContact CA-O 3.43Å; V184-V390 HydrophobicContact CG2-CB 4.43Å; E185-V390 PolarHBondContact N-O 2.96Å; T360-V390 HydrophobicContact CG2-CG1 3.79Å; I364-V390 CarbonylContact O-C 3.5Å; K388-V390 HydrophobicContact CD-CG2 4.14Å; K388-V390 HydrophobicContact CG-CG2 4.15Å; V390-R392 HydrophobicContact CG1-CG 4Å
391T89.5Confident90.1Very high0 Ų068.2 Ų68.20%032%0.316CS..EExtended strand (participates in β ladder)trans-110.4138.5168.5-54.40000109.6E185 I187 T360 V361 I364 L366E185-T391 HydrophobicContact CB-CG2 4.14Å; E185-T391 CarbonylContact O-C 3.56Å; E185-T391 WeakPolarHBondContact O-CA 3.37Å; I187-T391 HydrophobicContact CD1-CG2 3.47Å; I187-T391 VanDerWaalsContact CD1-CG2 3.47Å; I187-T391 HydrophobicContact CG1-CG2 3.86Å; T360-T391 CarbonylContact C-O 3.56Å; T360-T391 WeakPolarHBondContact CA-O 3.48Å; V361-T391 PolarHBondContact N-O 2.6Å; V361-T391 PolarHBondContact O-N 2.88Å; I364-T391 PolarHBondContact O-N 3.13Å; I364-T391 PolarHBondContact O-OG1 2.97Å; L366-T391 HydrophobicContact CB-CG2 4.08Å; L366-T391 HydrophobicContact CD1-CG2 3.82Å; L366-T391 HydrophobicContact CG-CG2 4.18Å; L366-T391 PolarHBondContact N-OG1 2.96Å
392R90.2Very high89.9Confident107 Ų10768.9 Ų68.940%0.40432%0.322SS..EExtended strand (participates in β ladder)trans-130.6158.5178.6-57.6179.6-178.3170.80.8109.7E185 E186 I187 F359 T360 V390E185-R392 PolarHBondContact O-N 2.69Å; E186-R392 WeakPolarHBondContact CA-O 2.97Å; E186-R392 HydrophobicContact CG-CB 4.44Å; I187-R392 PolarHBondContact N-O 3Å; F359-R392 VanDerWaalsContact O-CA 3.31Å; F359-R392 WeakPolarHBondContact O-CA 3.2Å; T360-R392 HydrophobicContact CG2-CG 4.21Å; V390-R392 HydrophobicContact CG1-CG 4Å
393A86.6Confident89.7Confident17 Ų1761.3 Ų61.314%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-72.6126.9164.900000109.8V357 F359 F396V357-A393 WeakPolarHBondContact O-CB 3.15Å; F359-A393 HydrophobicContact CD1-CB 3.68Å; F359-A393 HydrophobicContact CE1-CB 3.62Å; F359-A393 HydrophobicContact CG-CB 4.18Å; F359-A393 HydrophobicContact CZ-CB 4.07Å; F359-A393 PolarHBondContact O-N 3.39Å; A393-F396 HydrophobicContact CB-CB 4.04Å
394G86.9Confident89.4Confident25 Ų2563.7 Ų63.726%0.25830%0.299SS..EExtended strand (participates in β ladder)trans-86.5-119.8160.600000109.4I187 D188 F396I187-G394 WeakPolarHBondContact O-CA 3.45Å; I187-G394 PolarHBondContact O-N 2.89Å; D188-G394 VanDerWaalsContact OD1-CA 3.3Å; D188-G394 WeakPolarHBondContact OD1-CA 3.44Å; G394-F396 VanDerWaalsContact C-N 3.33Å; G394-F396 PolarHBondContact O-N 2.7Å
395R87.3Confident88.9Confident199 Ų19960.4 Ų60.475%0.75129%0.286SS*.EExtended strand (participates in β ladder)trans-81.177.8172.5-63.1179.1175.4-177.4-0.5110.5D188 A189D188-R395 WeakPolarHBondContact CA-O 3.35Å; D188-R395 HydrophobicContact CB-CB 4.33Å; D188-R395 PolarHBondContact OD1-N 3.31Å; A189-R395 PolarHBondContact N-O 3Å; A189-R395 VanDerWaalsContact O-O 3.14Å
396F87Confident88.4Confident0 Ų058.3 Ų58.30%028%0.279CS..EExtended strand (participates in β ladder)trans-9797.9179.2-158.1-74.9000111.7I187 A189 I191 P272 I274 M356 V357 F359 A393 G394 I398I187-F396 HydrophobicContact CG2-CD2 4.33Å; I187-F396 HydrophobicContact CG2-CE2 4.46Å; A189-F396 HydrophobicContact CB-CD2 3.56Å; A189-F396 HydrophobicContact CB-CE2 3.54Å; A189-F396 HydrophobicContact CB-CG 4.23Å; A189-F396 HydrophobicContact CB-CZ 4.17Å; I191-F396 HydrophobicContact CD1-CE1 3.8Å; I191-F396 HydrophobicContact CD1-CZ 3.73Å; P272-F396 HydrophobicContact CB-CE2 4.12Å; P272-F396 HydrophobicContact CB-CZ 3.86Å; I274-F396 HydrophobicContact CD1-CD1 4.44Å; I274-F396 HydrophobicContact CD1-CE1 3.74Å; I274-F396 HydrophobicContact CD1-CZ 4.07Å; I274-F396 HydrophobicContact CG1-CE1 3.94Å; I274-F396 HydrophobicContact CG1-CZ 3.81Å; M356-F396 WeakPolarHBondContact CG-O 3.26Å; V357-F396 HydrophobicContact CB-CD1 3.97Å; V357-F396 HydrophobicContact CG2-CD1 3.87Å; V357-F396 HydrophobicContact CG2-CE1 4.26Å; V357-F396 PolarHBondContact N-O 3.03Å; F359-F396 AromaticContact CE1-CD2 3.86Å; F359-F396 HydrophobicContact CE1-CD2 3.86Å; F359-F396 HydrophobicContact CE1-CE2 4.07Å; F359-F396 HydrophobicContact CE1-CG 4.24Å; F359-F396 HydrophobicContact CZ-CD2 4.33Å; F359-F396 HydrophobicContact CZ-CE2 4.44Å; A393-F396 HydrophobicContact CB-CB 4.04Å; G394-F396 VanDerWaalsContact C-N 3.33Å; G394-F396 PolarHBondContact O-N 2.7Å; F396-I398 HydrophobicContact CD1-CG1 4.5Å; F396-I398 HydrophobicContact CE1-CD1 4.27Å; F396-I398 HydrophobicContact CE1-CG1 4.17Å
397Q86.4Confident87.9Confident98 Ų9861.5 Ų61.546%0.45829%0.288SS..EExtended strand (participates in β ladder)trans-111.1134.9-175.9-172.1-1806.100112.2A189 I190 I191A189-Q397 PolarHBondContact O-N 2.7Å; I190-Q397 CarbonylContact C-O 3.48Å; I190-Q397 WeakPolarHBondContact CA-O 3.49Å; I191-Q397 PolarHBondContact N-O 3.42Å
398I83.9Confident87.2Confident15 Ų1562.2 Ų62.28%0.07729%0.286CS..EExtended strand (participates in β ladder)trans-114.3119.6170.7-58.7159.1000107.6I191 V276 V357 F396I191-I398 HydrophobicContact CB-CG1 4.19Å; I191-I398 HydrophobicContact CB-CG2 4.47Å; I191-I398 HydrophobicContact CD1-CG1 4.25Å; V276-I398 HydrophobicContact CB-CD1 3.72Å; V276-I398 HydrophobicContact CB-CG2 4.49Å; V276-I398 HydrophobicContact CG1-CD1 4.01Å; V276-I398 HydrophobicContact CG1-CG2 4.42Å; V276-I398 HydrophobicContact CG2-CD1 3.38Å; V357-I398 HydrophobicContact CG2-CD1 3.84Å; F396-I398 HydrophobicContact CD1-CG1 4.5Å; F396-I398 HydrophobicContact CE1-CD1 4.27Å; F396-I398 HydrophobicContact CE1-CG1 4.17Å
399R82.3Confident86.5Confident119 Ų11960.9 Ų60.945%0.44928%0.282SS..  trans-77.1140.1179.7-65.7-178.4174.2171.70.6109.7I190 I191 K193 H278I190-R399 HydrophobicContact CG2-CG 4.14Å; I191-R399 WeakPolarHBondContact O-CB 3.46Å; I191-R399 PolarHBondContact O-N 3.44Å; K193-R399 WeakPolarHBondContact CA-O 3.49Å; H278-R399 PolarHBondContact CE1-O 3.47Å; H278-R399 VanDerWaalsContact CE1-O 3.3Å
400T72.5Confident85.8Confident111 Ų11163.2 Ų63.268%0.68130%0.295SS*.  trans-112.90-172.441.70000112.5F280F280-T400 VanDerWaalsContact CE2-CB 3.41Å; F280-T400 HydrophobicContact CE2-CG2 3.6Å; F280-T400 HydrophobicContact CZ-CG2 3.56Å

Retrieved 400 of 400 residues in 180 ms (Link to these results)

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