C4QDC9_SCHMA Loading...

Derlin

May be involved in the degradation of misfolded endoplasmic reticulum (ER) luminal proteins.

AlphaFold DB , UniProt , Accession C4QDC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 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
1M52.6Low74.9Confident194 Ų19497.8 Ų97.896%0.95655%0.547SS*.  077.10-68.9175176.500108.1G3 N4M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.16Å; M1-N4 PolarHBondContact O-N 3.05Å
2P60.2Low76Confident102 Ų102100.2 Ų100.266%0.66256%0.557SS**Hα-helixtrans-69.1-12.3-169.925.8-33.5000114.8
3G63.8Low77Confident52 Ų5292.8 Ų92.854%0.53652%0.516SS..Hα-helixtrans-69.9-33.2177.300000113.8M1 S7M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-S7 PolarHBondContact O-N 3.1Å
4N75.4Confident78Confident101 Ų10186.7 Ų86.754%0.5448%0.483SS..Hα-helixtrans-74.8-40.9178.9-74.914.9000110.8M1 L6 S7 D8M1-N4 PolarHBondContact O-N 3.05Å; N4-L6 VanDerWaalsContact C-N 3.33Å; N4-L6 PolarHBondContact O-N 3.42Å; N4-S7 PolarHBondContact O-N 3.47Å; N4-S7 VanDerWaalsContact O-N 3.12Å; N4-D8 VanDerWaalsContact O-CB 3.28Å; N4-D8 WeakPolarHBondContact O-CB 3.31Å; N4-D8 PolarHBondContact O-N 3.16Å
5D81.5Confident78.9Confident109 Ų10985.1 Ų85.158%0.58348%0.477SS*.Hα-helixtrans-58.9-41.5-177.2-56.1-36.2000112.8M9D5-M9 VanDerWaalsContact O-CB 3.25Å; D5-M9 WeakPolarHBondContact O-CB 3.37Å; D5-M9 PolarHBondContact O-N 2.94Å
6L78.3Confident79.7Confident115 Ų11581.1 Ų81.160%0.60246%0.456SS*.Hα-helixtrans-72.4-39.5177.1-72.4176.6000112.4N4 D8 M9 F10N4-L6 VanDerWaalsContact C-N 3.33Å; N4-L6 PolarHBondContact O-N 3.42Å; L6-D8 VanDerWaalsContact C-N 3.34Å; L6-M9 HydrophobicContact CD2-CE 3.81Å; L6-M9 PolarHBondContact O-N 3.45Å; L6-F10 WeakPolarHBondContact O-CB 3.23Å; L6-F10 PolarHBondContact O-N 3.15Å
7S80.9Confident80.5Confident60 Ų6076.4 Ų76.442%0.4243%0.429SS..Hα-helixtrans-65.3-42.6176.5-172.10000110.6G3 N4 F10 N11G3-S7 PolarHBondContact O-N 3.1Å; N4-S7 PolarHBondContact O-N 3.47Å; N4-S7 VanDerWaalsContact O-N 3.12Å; S7-F10 PolarHBondContact O-N 3.41Å; S7-N11 VanDerWaalsContact O-CB 3.23Å; S7-N11 WeakPolarHBondContact O-CB 3.47Å; S7-N11 PolarHBondContact O-N 3.39Å; S7-N11 PolarHBondContact O-ND2 2.72Å; S7-N11 VanDerWaalsContact O-ND2 3.07Å; S7-N11 PolarHBondContact OG-ND2 3.15Å
8D83.3Confident81.3Confident82 Ų8275.2 Ų75.244%0.43942%0.417SS..Hα-helixtrans-64.4-45.2176.3-66.7-24.1000110.5N4 L6 F10 N11 N12N4-D8 VanDerWaalsContact O-CB 3.28Å; N4-D8 WeakPolarHBondContact O-CB 3.31Å; N4-D8 PolarHBondContact O-N 3.16Å; L6-D8 VanDerWaalsContact C-N 3.34Å; D8-F10 PolarHBondContact O-N 3.34Å; D8-N11 CarbonylContact O-C 3.45Å; D8-N11 PolarHBondContact O-N 3.07Å; D8-N12 WeakPolarHBondContact O-CB 3.39Å; D8-N12 PolarHBondContact O-N 2.77Å; D8-N12 PolarHBondContact O-ND2 3.2Å
9M80.6Confident82Confident97 Ų9780.4 Ų80.448%0.47843%0.431SS..Hα-helixtrans-56.6-48.1173.1-178-170.469.700111.5D5 L6 N11 N12 I13D5-M9 VanDerWaalsContact O-CB 3.25Å; D5-M9 WeakPolarHBondContact O-CB 3.37Å; D5-M9 PolarHBondContact O-N 2.94Å; L6-M9 HydrophobicContact CD2-CE 3.81Å; L6-M9 PolarHBondContact O-N 3.45Å; M9-N11 VanDerWaalsContact C-N 3.33Å; M9-N11 PolarHBondContact O-N 2.72Å; M9-N12 PolarHBondContact O-N 3.26Å; M9-I13 VanDerWaalsContact O-CG1 3.3Å; M9-I13 WeakPolarHBondContact O-CG1 3.28Å; M9-I13 PolarHBondContact O-N 3.1Å
10F83.8Confident82.7Confident82 Ų8276.8 Ų76.836%0.3641%0.411SS..Hα-helixtrans-65.6-36.6178.6-171.8-105.9000112.1L6 S7 D8 N12 I13 R18L6-F10 WeakPolarHBondContact O-CB 3.23Å; L6-F10 PolarHBondContact O-N 3.15Å; S7-F10 PolarHBondContact O-N 3.41Å; D8-F10 PolarHBondContact O-N 3.34Å; F10-N12 VanDerWaalsContact C-N 3.29Å; F10-N12 PolarHBondContact O-N 2.88Å; F10-I13 HydrophobicContact CD2-CD1 4.06Å; F10-I13 WeakPolarHBondContact O-CB 3.46Å; F10-I13 WeakPolarHBondContact O-CG1 3.38Å; F10-I13 PolarHBondContact O-N 2.78Å; F10-R18 HydrophobicContact CD1-CG 4.39Å; F10-R18 HydrophobicContact CD2-CG 4.24Å; F10-R18 HydrophobicContact CE1-CG 3.8Å; F10-R18 HydrophobicContact CE2-CG 3.6Å; F10-R18 HydrophobicContact CZ-CG 3.36Å; F10-R18 VanDerWaalsContact O-CZ 3.24Å; F10-R18 PolarHBondContact O-NE 3.12Å
11N84Confident83.3Confident82 Ų8275 Ų7544%0.43940%0.399SS..Hα-helixtrans-72.6-21.8176.9-73.4-31000113.4S7 D8 M9 I13 R18S7-N11 VanDerWaalsContact O-CB 3.23Å; S7-N11 WeakPolarHBondContact O-CB 3.47Å; S7-N11 PolarHBondContact O-N 3.39Å; S7-N11 PolarHBondContact O-ND2 2.72Å; S7-N11 VanDerWaalsContact O-ND2 3.07Å; S7-N11 PolarHBondContact OG-ND2 3.15Å; D8-N11 CarbonylContact O-C 3.45Å; D8-N11 PolarHBondContact O-N 3.07Å; M9-N11 VanDerWaalsContact C-N 3.33Å; M9-N11 PolarHBondContact O-N 2.72Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-R18 VanDerWaalsContact C-NH2 3.32Å; N11-R18 PolarHBondContact O-NH2 3.32Å; N11-R18 PolarHBondContact OD1-NH1 2.98Å
12N88.3Confident85.3Confident126 Ų12667.7 Ų67.767%0.67437%0.367SS*.Hα-helixtrans-81.2-12.5173.1-71.7-36.5000113.1D8 M9 F10D8-N12 WeakPolarHBondContact O-CB 3.39Å; D8-N12 PolarHBondContact O-N 2.77Å; D8-N12 PolarHBondContact O-ND2 3.2Å; M9-N12 PolarHBondContact O-N 3.26Å; F10-N12 VanDerWaalsContact C-N 3.29Å; F10-N12 PolarHBondContact O-N 2.88Å
13I89.1Confident86.9Confident4 Ų463.2 Ų63.22%0.02134%0.34CS..SBendtrans-71.9129.3176-47.9-170.7000109M9 F10 N11 T17 R18 Y82M9-I13 VanDerWaalsContact O-CG1 3.3Å; M9-I13 WeakPolarHBondContact O-CG1 3.28Å; M9-I13 PolarHBondContact O-N 3.1Å; F10-I13 HydrophobicContact CD2-CD1 4.06Å; F10-I13 WeakPolarHBondContact O-CB 3.46Å; F10-I13 WeakPolarHBondContact O-CG1 3.38Å; F10-I13 PolarHBondContact O-N 2.78Å; N11-I13 VanDerWaalsContact C-N 3.33Å; I13-T17 HydrophobicContact CG2-CG2 3.83Å; I13-R18 HydrophobicContact CB-CB 4.03Å; I13-R18 HydrophobicContact CB-CG 4.28Å; I13-R18 HydrophobicContact CG2-CB 3.86Å; I13-R18 VanDerWaalsContact O-CZ 3.31Å; I13-R18 PolarHBondContact O-NE 3.16Å; I13-R18 PolarHBondContact O-NH2 2.77Å; I13-Y82 HydrophobicContact CD1-CD2 4.02Å; I13-Y82 HydrophobicContact CD1-CE2 3.77Å; I13-Y82 HydrophobicContact CG1-CD2 4.42Å; I13-Y82 HydrophobicContact CG1-CE2 3.79Å; I13-Y82 HydrophobicContact CG2-CD2 4.31Å; I13-Y82 HydrophobicContact CG2-CE2 4.22Å
14P91.1Very high88.4Confident8 Ų860.8 Ų60.85%0.05232%0.315CS..  trans-53.7146.8175.7-30.340.8000112.6V16 T17 R18 E89 N90P14-V16 PolarHBondContact O-N 2.72Å; P14-T17 PolarHBondContact O-N 3.2Å; P14-R18 WeakPolarHBondContact O-CB 3.3Å; P14-R18 PolarHBondContact O-N 3.4Å; P14-E89 HydrophobicContact CB-CB 3.88Å; P14-E89 HydrophobicContact CB-CG 3.61Å; P14-E89 WeakPolarHBondContact CB-OE1 3.32Å; P14-E89 WeakPolarHBondContact CB-OE2 3.4Å; P14-E89 HydrophobicContact CG-CB 4.28Å; P14-E89 HydrophobicContact CG-CG 4.47Å; P14-N90 VanDerWaalsContact CG-CG 3.45Å; P14-N90 WeakPolarHBondContact CG-ND2 3.24Å; P14-N90 WeakPolarHBondContact CG-OD1 3.2Å
15P90.5Very high89.3Confident62 Ų6258.5 Ų58.540%0.40330%0.302SS..Hα-helixtrans-57.9-46.3-166.421.7-33.3000113.5R18 Y19 E89P15-R18 WeakPolarHBondContact O-CB 3.38Å; P15-R18 PolarHBondContact O-N 2.99Å; P15-Y19 WeakPolarHBondContact O-CD2 3.48Å; P15-Y19 PolarHBondContact O-N 2.77Å; P15-E89 WeakPolarHBondContact CD-OE1 3.43Å; P15-E89 WeakPolarHBondContact CG-OE1 3.38Å
16V92.1Very high89.9Confident22 Ų2258 Ų5813%0.13330%0.299CS..Hα-helixtrans-71-45.6-176.7-178.80000110.3P14 R18 Y19 W20 E89 T97 Y100 V101P14-V16 PolarHBondContact O-N 2.72Å; V16-R18 PolarHBondContact O-N 3.4Å; V16-Y19 PolarHBondContact O-N 3.27Å; V16-W20 PolarHBondContact O-N 3.33Å; V16-E89 PolarHBondContact N-OE1 3.15Å; V16-T97 HydrophobicContact CG2-CG2 3.66Å; V16-Y100 HydrophobicContact CB-CD1 3.69Å; V16-Y100 HydrophobicContact CB-CE1 3.66Å; V16-Y100 HydrophobicContact CG1-CD1 3.76Å; V16-Y100 HydrophobicContact CG1-CE1 3.53Å; V16-Y100 HydrophobicContact CG2-CD1 4Å; V16-Y100 HydrophobicContact CG2-CE1 4.47Å; V16-V101 HydrophobicContact CG2-CG2 3.66Å
17T94Very high90.6Very high0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-56.8-40.6174.5-58.80000111.7I13 P14 W20 F21 L81 S85 S86 E89I13-T17 HydrophobicContact CG2-CG2 3.83Å; P14-T17 PolarHBondContact O-N 3.2Å; T17-W20 PolarHBondContact O-N 2.94Å; T17-F21 WeakPolarHBondContact O-CB 3.44Å; T17-F21 PolarHBondContact O-N 3.4Å; T17-L81 HydrophobicContact CG2-CD2 4.37Å; T17-S85 WeakPolarHBondContact CB-OG 3.47Å; T17-S85 WeakPolarHBondContact CG2-OG 3.25Å; T17-S85 WeakPolarHBondContact OG1-CB 3.38Å; T17-S85 PolarHBondContact OG1-O 2.99Å; T17-S85 PolarHBondContact OG1-OG 3.42Å; T17-S86 WeakPolarHBondContact CG2-OG 3.3Å; T17-E89 WeakPolarHBondContact CB-OE2 2.8Å; T17-E89 PolarHBondContact N-OE2 2.91Å; T17-E89 PolarHBondContact OG1-OE2 3.09Å
18R94.3Very high91.1Very high55 Ų5552.1 Ų52.121%0.20826%0.261CS..Hα-helixtrans-61.2-49.5179.2-171.5-170.3-51.9-162.92.5111.6F10 N11 I13 P14 P15 V16 F21 S22F10-R18 HydrophobicContact CD1-CG 4.39Å; F10-R18 HydrophobicContact CD2-CG 4.24Å; F10-R18 HydrophobicContact CE1-CG 3.8Å; F10-R18 HydrophobicContact CE2-CG 3.6Å; F10-R18 HydrophobicContact CZ-CG 3.36Å; F10-R18 VanDerWaalsContact O-CZ 3.24Å; F10-R18 PolarHBondContact O-NE 3.12Å; N11-R18 VanDerWaalsContact C-NH2 3.32Å; N11-R18 PolarHBondContact O-NH2 3.32Å; N11-R18 PolarHBondContact OD1-NH1 2.98Å; I13-R18 HydrophobicContact CB-CB 4.03Å; I13-R18 HydrophobicContact CB-CG 4.28Å; I13-R18 HydrophobicContact CG2-CB 3.86Å; I13-R18 VanDerWaalsContact O-CZ 3.31Å; I13-R18 PolarHBondContact O-NE 3.16Å; I13-R18 PolarHBondContact O-NH2 2.77Å; P14-R18 WeakPolarHBondContact O-CB 3.3Å; P14-R18 PolarHBondContact O-N 3.4Å; P15-R18 WeakPolarHBondContact O-CB 3.38Å; P15-R18 PolarHBondContact O-N 2.99Å; V16-R18 PolarHBondContact O-N 3.4Å; R18-F21 PolarHBondContact O-N 2.89Å; R18-S22 WeakPolarHBondContact O-CB 3.35Å; R18-S22 PolarHBondContact O-N 3.48Å; R18-S22 PolarHBondContact O-OG 3.42Å
19Y94.1Very high91.5Very high174 Ų17452.2 Ų52.268%0.68226%0.261SS*.Hα-helixtrans-63.8-41.1178.3-71.3-60.3000112.2P15 V16 S22 G23P15-Y19 WeakPolarHBondContact O-CD2 3.48Å; P15-Y19 PolarHBondContact O-N 2.77Å; V16-Y19 PolarHBondContact O-N 3.27Å; Y19-S22 WeakPolarHBondContact CA-OG 3.19Å; Y19-S22 PolarHBondContact O-OG 3.29Å; Y19-G23 PolarHBondContact O-N 2.9Å
20W95.3Very high92.1Very high9 Ų949.6 Ų49.63%0.03425%0.249CC..Hα-helixtrans-64.6-49.8177.3-174.923.7000111.3V16 T17 G23 T24 L81 F104 L124 M127 V128 V131V16-W20 PolarHBondContact O-N 3.33Å; T17-W20 PolarHBondContact O-N 2.94Å; W20-G23 PolarHBondContact O-N 3.43Å; W20-T24 WeakPolarHBondContact O-CB 3.27Å; W20-T24 PolarHBondContact O-N 3.12Å; W20-T24 PolarHBondContact O-OG1 2.76Å; W20-T24 VanDerWaalsContact O-OG1 3.14Å; W20-L81 HydrophobicContact CD2-CD1 3.66Å; W20-L81 HydrophobicContact CD2-CD2 3.87Å; W20-L81 HydrophobicContact CD2-CG 3.7Å; W20-L81 HydrophobicContact CE3-CD1 4.06Å; W20-L81 HydrophobicContact CE3-CD2 3.6Å; W20-L81 HydrophobicContact CE3-CG 3.54Å; W20-L81 HydrophobicContact CG-CD1 4.07Å; W20-L81 HydrophobicContact CG-CD2 4.29Å; W20-L81 HydrophobicContact CG-CG 4.43Å; W20-L81 HydrophobicContact CH2-CD1 4.31Å; W20-L81 HydrophobicContact CH2-CG 3.91Å; W20-L81 HydrophobicContact CZ2-CD1 3.9Å; W20-L81 HydrophobicContact CZ2-CG 4.02Å; W20-L81 HydrophobicContact CZ3-CD1 4.37Å; W20-L81 HydrophobicContact CZ3-CD2 4.12Å; W20-L81 HydrophobicContact CZ3-CG 3.66Å; W20-F104 AromaticContact CD2-CE2 3.67Å; W20-F104 HydrophobicContact CD2-CE2 3.67Å; W20-F104 AromaticContact CD2-CZ 3.88Å; W20-F104 HydrophobicContact CD2-CZ 3.88Å; W20-F104 AromaticContact CE3-CE2 3.62Å; W20-F104 HydrophobicContact CE3-CE2 3.62Å; W20-F104 HydrophobicContact CE3-CZ 4.3Å; W20-F104 HydrophobicContact CG-CE2 4.2Å; W20-F104 HydrophobicContact CG-CZ 4.01Å; W20-F104 HydrophobicContact CH2-CE2 4.25Å; W20-F104 HydrophobicContact CZ2-CE2 4.33Å; W20-F104 AromaticContact CZ3-CE2 3.92Å; W20-F104 HydrophobicContact CZ3-CE2 3.92Å; W20-L124 HydrophobicContact CZ2-CD1 4.15Å; W20-M127 HydrophobicContact CH2-CB 4.44Å; W20-M127 HydrophobicContact CH2-CG 3.75Å; W20-M127 HydrophobicContact CZ2-CB 4.05Å; W20-M127 HydrophobicContact CZ2-CG 3.54Å; W20-V128 HydrophobicContact CH2-CB 4.46Å; W20-V128 HydrophobicContact CH2-CG2 3.79Å; W20-V128 HydrophobicContact CZ2-CG2 3.75Å; W20-V131 HydrophobicContact CH2-CG2 4.1Å; W20-V131 HydrophobicContact CZ3-CG2 4.03Å
21F95.4Very high92.3Very high38 Ų3846 Ų4617%0.16724%0.235CC..Hα-helixtrans-58.8-49.5177.5-179.4-94.2000112.2T17 R18 G23 T24 I25 L78 L81 Y82T17-F21 WeakPolarHBondContact O-CB 3.44Å; T17-F21 PolarHBondContact O-N 3.4Å; R18-F21 PolarHBondContact O-N 2.89Å; F21-G23 PolarHBondContact O-N 3.26Å; F21-T24 PolarHBondContact O-N 2.95Å; F21-I25 HydrophobicContact CD1-CD1 3.83Å; F21-I25 HydrophobicContact CE1-CD1 3.3Å; F21-I25 HydrophobicContact CE1-CG1 4.5Å; F21-I25 HydrophobicContact CE2-CD1 4.39Å; F21-I25 HydrophobicContact CZ-CD1 3.63Å; F21-I25 WeakPolarHBondContact O-CG1 3.46Å; F21-I25 PolarHBondContact O-N 3.14Å; F21-I25 VanDerWaalsContact O-N 3.07Å; F21-L78 HydrophobicContact CD2-CD1 3.48Å; F21-L78 VanDerWaalsContact CD2-CD1 3.48Å; F21-L78 HydrophobicContact CD2-CG 4.07Å; F21-L78 HydrophobicContact CE2-CD1 3.42Å; F21-L78 VanDerWaalsContact CE2-CD1 3.42Å; F21-L78 HydrophobicContact CE2-CD2 4.16Å; F21-L78 HydrophobicContact CE2-CG 3.49Å; F21-L78 VanDerWaalsContact CE2-CG 3.49Å; F21-L78 HydrophobicContact CG-CD1 4.29Å; F21-L78 HydrophobicContact CZ-CD1 4.16Å; F21-L78 HydrophobicContact CZ-CD2 4.33Å; F21-L78 HydrophobicContact CZ-CG 4.15Å; F21-L81 HydrophobicContact CB-CD2 3.86Å; F21-L81 HydrophobicContact CD2-CD2 4.21Å; F21-Y82 HydrophobicContact CE2-CG 4.47Å
22S94.7Very high92.5Very high41 Ų4146.6 Ų46.629%0.28723%0.233SC..Hα-helixtrans-65.1-40.817963.20000111.9R18 Y19 T24 I25 L26R18-S22 WeakPolarHBondContact O-CB 3.35Å; R18-S22 PolarHBondContact O-N 3.48Å; R18-S22 PolarHBondContact O-OG 3.42Å; Y19-S22 WeakPolarHBondContact CA-OG 3.19Å; Y19-S22 PolarHBondContact O-OG 3.29Å; S22-T24 VanDerWaalsContact C-N 3.31Å; S22-T24 PolarHBondContact O-N 3.21Å; S22-I25 PolarHBondContact O-N 2.79Å; S22-L26 VanDerWaalsContact O-CB 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.21Å; S22-L26 PolarHBondContact O-N 2.89Å
23G94.7Very high92.6Very high9 Ų947.5 Ų47.59%0.09323%0.232CC..Hα-helixtrans-60.3-43.9175.200000111Y19 W20 F21 I25 L26 F27Y19-G23 PolarHBondContact O-N 2.9Å; W20-G23 PolarHBondContact O-N 3.43Å; F21-G23 PolarHBondContact O-N 3.26Å; G23-I25 PolarHBondContact O-N 3.48Å; G23-L26 PolarHBondContact O-N 3.19Å; G23-F27 WeakPolarHBondContact O-CB 3.45Å; G23-F27 VanDerWaalsContact O-CD2 3.28Å; G23-F27 WeakPolarHBondContact O-CD2 3.21Å; G23-F27 PolarHBondContact O-N 3.46Å
24T95Very high92.4Very high1 Ų153.2 Ų53.21%0.00626%0.263CS..Hα-helixtrans-63.8-41.4179.3-68.60000113.3W20 F21 S22 S28 L62 F74 L78 L81 L124W20-T24 WeakPolarHBondContact O-CB 3.27Å; W20-T24 PolarHBondContact O-N 3.12Å; W20-T24 PolarHBondContact O-OG1 2.76Å; W20-T24 VanDerWaalsContact O-OG1 3.14Å; F21-T24 PolarHBondContact O-N 2.95Å; S22-T24 VanDerWaalsContact C-N 3.31Å; S22-T24 PolarHBondContact O-N 3.21Å; T24-S28 WeakPolarHBondContact O-CB 3.49Å; T24-S28 PolarHBondContact O-N 2.98Å; T24-S28 VanDerWaalsContact O-N 3.11Å; T24-S28 PolarHBondContact O-OG 2.86Å; T24-L62 WeakPolarHBondContact CA-O 3.37Å; T24-L62 PolarHBondContact OG1-O 3.47Å; T24-F74 HydrophobicContact CG2-CE2 3.71Å; T24-F74 HydrophobicContact CG2-CZ 4.2Å; T24-L78 HydrophobicContact CG2-CD1 4.22Å; T24-L81 HydrophobicContact CG2-CD1 4.43Å; T24-L124 HydrophobicContact CG2-CD1 3.97Å; T24-L124 HydrophobicContact CG2-CD2 3.61Å; T24-L124 HydrophobicContact CG2-CG 4.48Å; T24-L124 WeakPolarHBondContact OG1-CD1 3.4Å
25I94.5Very high92.3Very high53 Ų5357.7 Ų57.727%0.27229%0.289SS..Hα-helixtrans-64.5-50.3174-67172.5000110.1F21 S22 G23 F27 S28 L29 L78F21-I25 HydrophobicContact CD1-CD1 3.83Å; F21-I25 HydrophobicContact CE1-CD1 3.3Å; F21-I25 HydrophobicContact CE1-CG1 4.5Å; F21-I25 HydrophobicContact CE2-CD1 4.39Å; F21-I25 HydrophobicContact CZ-CD1 3.63Å; F21-I25 WeakPolarHBondContact O-CG1 3.46Å; F21-I25 PolarHBondContact O-N 3.14Å; F21-I25 VanDerWaalsContact O-N 3.07Å; S22-I25 PolarHBondContact O-N 2.79Å; G23-I25 PolarHBondContact O-N 3.48Å; I25-F27 PolarHBondContact O-N 3.17Å; I25-S28 PolarHBondContact O-N 3.26Å; I25-L29 HydrophobicContact CG2-CD1 3.79Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 2.99Å; I25-L29 VanDerWaalsContact O-CG 3.29Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 3.05Å; I25-L78 HydrophobicContact CD1-CD1 4.31Å; I25-L78 HydrophobicContact CD1-CD2 4.07Å; I25-L78 HydrophobicContact CG1-CD1 3.88Å; I25-L78 HydrophobicContact CG1-CD2 3.88Å
26L94.3Very high91.9Very high98 Ų9857.4 Ų57.451%0.51328%0.284SS..Hα-helixtrans-58.1-53.8-176.7178.562.3000111.7S22 G23 S28 L29 L30S22-L26 VanDerWaalsContact O-CB 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.21Å; S22-L26 PolarHBondContact O-N 2.89Å; G23-L26 PolarHBondContact O-N 3.19Å; L26-S28 PolarHBondContact O-N 3.45Å; L26-L29 PolarHBondContact O-N 3.14Å; L26-L30 HydrophobicContact CD1-CD1 4.15Å; L26-L30 HydrophobicContact CD1-CG 4.31Å; L26-L30 HydrophobicContact CG-CD1 4.01Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.33Å
27F92.2Very high91.5Very high51 Ų5160.2 Ų60.222%0.22430%0.298CS..Hα-helixtrans-67.9-36.7-177.4-81.7-70.4000112.4G23 I25 L30 G31 M41 L62G23-F27 WeakPolarHBondContact O-CB 3.45Å; G23-F27 VanDerWaalsContact O-CD2 3.28Å; G23-F27 WeakPolarHBondContact O-CD2 3.21Å; G23-F27 PolarHBondContact O-N 3.46Å; I25-F27 PolarHBondContact O-N 3.17Å; F27-L30 HydrophobicContact CD1-CD1 4.33Å; F27-L30 PolarHBondContact O-N 3.39Å; F27-G31 PolarHBondContact O-N 2.98Å; F27-G31 VanDerWaalsContact O-N 3.07Å; F27-M41 HydrophobicContact CB-CE 3.49Å; F27-M41 VanDerWaalsContact CB-CE 3.49Å; F27-M41 HydrophobicContact CD1-CE 3.27Å; F27-M41 HydrophobicContact CE1-CE 4.31Å; F27-M41 HydrophobicContact CG-CE 3.79Å; F27-M41 WeakPolarHBondContact O-CE 3.46Å; F27-L62 HydrophobicContact CB-CB 4.29Å; F27-L62 HydrophobicContact CD2-CB 3.66Å; F27-L62 HydrophobicContact CD2-CD1 3.61Å; F27-L62 HydrophobicContact CD2-CG 4.27Å; F27-L62 HydrophobicContact CE2-CB 4.32Å; F27-L62 HydrophobicContact CE2-CD1 3.42Å; F27-L62 VanDerWaalsContact CE2-CD1 3.42Å; F27-L62 HydrophobicContact CG-CB 4.2Å; F27-L62 HydrophobicContact CZ-CD1 4.41Å
28S92.3Very high90.8Very high1 Ų162.1 Ų62.11%0.00731%0.31CS..Hα-helixtrans-64.8-39.2174.9-59.70000112.2T24 I25 L26 K32 Y64 F74T24-S28 WeakPolarHBondContact O-CB 3.49Å; T24-S28 PolarHBondContact O-N 2.98Å; T24-S28 VanDerWaalsContact O-N 3.11Å; T24-S28 PolarHBondContact O-OG 2.86Å; I25-S28 PolarHBondContact O-N 3.26Å; L26-S28 PolarHBondContact O-N 3.45Å; S28-K32 WeakPolarHBondContact O-CB 3.34Å; S28-K32 PolarHBondContact O-N 2.64Å; S28-Y64 PolarHBondContact OG-N 2.89Å; S28-F74 VanDerWaalsContact OG-CE2 3.31Å; S28-F74 WeakPolarHBondContact OG-CE2 3.26Å
29L92.3Very high90.2Very high84 Ų8463.7 Ų63.744%0.4432%0.321SS..Hα-helixtrans-69.9-41.7175-70.3177.3000112.3I25 L26 G31 K32 F33I25-L29 HydrophobicContact CG2-CD1 3.79Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 2.99Å; I25-L29 VanDerWaalsContact O-CG 3.29Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 3.05Å; L26-L29 PolarHBondContact O-N 3.14Å; L29-G31 VanDerWaalsContact C-N 3.27Å; L29-G31 PolarHBondContact O-N 3.34Å; L29-K32 PolarHBondContact O-N 3.29Å; L29-K32 VanDerWaalsContact O-N 3.09Å; L29-F33 HydrophobicContact CB-CD2 4.33Å; L29-F33 HydrophobicContact CB-CE2 4.25Å; L29-F33 HydrophobicContact CD2-CE2 4.1Å; L29-F33 WeakPolarHBondContact O-CD2 3.21Å; L29-F33 PolarHBondContact O-N 3.18Å
30L92.2Very high89.4Confident41 Ų4162.8 Ų62.822%0.21532%0.317CS..Hα-helixtrans-58.1-40.8176-73.4171.6000111.9L26 F27 N34 V35 I36L26-L30 HydrophobicContact CD1-CD1 4.15Å; L26-L30 HydrophobicContact CD1-CG 4.31Å; L26-L30 HydrophobicContact CG-CD1 4.01Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.33Å; F27-L30 HydrophobicContact CD1-CD1 4.33Å; F27-L30 PolarHBondContact O-N 3.39Å; L30-N34 PolarHBondContact O-N 2.8Å; L30-V35 HydrophobicContact CD2-CB 3.86Å; L30-V35 HydrophobicContact CD2-CG1 3.83Å; L30-V35 HydrophobicContact CD2-CG2 4.22Å; L30-V35 PolarHBondContact O-N 3.04Å; L30-I36 HydrophobicContact CB-CD1 4.34Å; L30-I36 HydrophobicContact CB-CG1 4.46Å; L30-I36 HydrophobicContact CD1-CD1 3.93Å; L30-I36 PolarHBondContact O-N 3.32Å
31G88.4Confident88.6Confident6 Ų662.6 Ų62.66%0.06232%0.316CS..Hα-helixtrans-70.2-38.2172.900000113F27 L29 F33 N34F27-G31 PolarHBondContact O-N 2.98Å; F27-G31 VanDerWaalsContact O-N 3.07Å; L29-G31 VanDerWaalsContact C-N 3.27Å; L29-G31 PolarHBondContact O-N 3.34Å; G31-F33 PolarHBondContact O-N 3.33Å; G31-N34 PolarHBondContact O-N 3.28Å
32K88Confident88Confident95 Ų9562 Ų6241%0.41331%0.314SS..Hα-helixtrans-62.9-40.4178.6179.759.7176.5179.30113S28 L29 N34 V66S28-K32 WeakPolarHBondContact O-CB 3.34Å; S28-K32 PolarHBondContact O-N 2.64Å; L29-K32 PolarHBondContact O-N 3.29Å; L29-K32 VanDerWaalsContact O-N 3.09Å; K32-N34 VanDerWaalsContact C-N 3.26Å; K32-V66 WeakPolarHBondContact CD-O 3.48Å; K32-V66 PolarHBondContact NZ-O 2.84Å
33F90.4Very high87.3Confident146 Ų14660 Ų6064%0.6430%0.301SS*.THydrogen-bonded Turntrans-85.84.9179-66.3-61.6000113.3L29 G31 V35L29-F33 HydrophobicContact CB-CD2 4.33Å; L29-F33 HydrophobicContact CB-CE2 4.25Å; L29-F33 HydrophobicContact CD2-CE2 4.1Å; L29-F33 WeakPolarHBondContact O-CD2 3.21Å; L29-F33 PolarHBondContact O-N 3.18Å; G31-F33 PolarHBondContact O-N 3.33Å; F33-V35 HydrophobicContact CB-CG2 3.91Å; F33-V35 PolarHBondContact O-N 3.11Å; F33-V35 VanDerWaalsContact O-N 3.14Å
34N85.4Confident86.5Confident124 Ų12461 Ų6166%0.66330%0.304SS*.THydrogen-bonded Turntrans53.127.8-174.7-63.2-51.8000113.7L30 G31 K32 I36L30-N34 PolarHBondContact O-N 2.8Å; G31-N34 PolarHBondContact O-N 3.28Å; K32-N34 VanDerWaalsContact C-N 3.26Å; N34-I36 VanDerWaalsContact C-N 3.27Å
35V87.9Confident85.6Confident101 Ų10162.5 Ų62.561%0.61231%0.309SS*.SBendtrans-67-38.3173.1-1780000109.3L30 F33L30-V35 HydrophobicContact CD2-CB 3.86Å; L30-V35 HydrophobicContact CD2-CG1 3.83Å; L30-V35 HydrophobicContact CD2-CG2 4.22Å; L30-V35 PolarHBondContact O-N 3.04Å; F33-V35 HydrophobicContact CB-CG2 3.91Å; F33-V35 PolarHBondContact O-N 3.11Å; F33-V35 VanDerWaalsContact O-N 3.14Å
36I82.9Confident84.6Confident57 Ų5766.4 Ų66.429%0.29233%0.331SS..SBendtrans-121.1131170.8-57.5178.4000106.9L30 N34 P38 R40 M41L30-I36 HydrophobicContact CB-CD1 4.34Å; L30-I36 HydrophobicContact CB-CG1 4.46Å; L30-I36 HydrophobicContact CD1-CD1 3.93Å; L30-I36 PolarHBondContact O-N 3.32Å; N34-I36 VanDerWaalsContact C-N 3.27Å; I36-P38 VanDerWaalsContact O-CD 3.29Å; I36-P38 WeakPolarHBondContact O-CD 3.37Å; I36-P38 VanDerWaalsContact O-N 3.16Å; I36-R40 HydrophobicContact CG2-CB 4.45Å; I36-M41 HydrophobicContact CB-SD 3.96Å; I36-M41 HydrophobicContact CG2-CG 3.81Å; I36-M41 HydrophobicContact CG2-SD 3.79Å
37D82.6Confident83.4Confident80 Ų8066.3 Ų66.343%0.42832%0.323SS..  trans-55.3118173174.82.1000109.8M39 R40D37-M39 PolarHBondContact O-N 2.91Å; D37-M39 VanDerWaalsContact OD1-CB 3.26Å; D37-M39 WeakPolarHBondContact OD1-CB 3.02Å; D37-M39 PolarHBondContact OD1-N 2.89Å; D37-R40 HydrophobicContact CB-CG 4.16Å; D37-R40 WeakPolarHBondContact O-CB 3.41Å; D37-R40 PolarHBondContact O-N 3.33Å
38P80.1Confident82.5Confident40 Ų4065.6 Ų65.626%0.2632%0.321SS..Hα-helixtrans-50.6-30178.6-3037.2000113.7I36 R40 M41 I42 F63I36-P38 VanDerWaalsContact O-CD 3.29Å; I36-P38 WeakPolarHBondContact O-CD 3.37Å; I36-P38 VanDerWaalsContact O-N 3.16Å; P38-R40 PolarHBondContact O-N 2.99Å; P38-M41 PolarHBondContact O-N 3.22Å; P38-I42 PolarHBondContact O-N 3.37Å; P38-F63 HydrophobicContact CB-CE1 4.4Å; P38-F63 HydrophobicContact CB-CZ 3.92Å
39M81.9Confident81.6Confident88 Ų8871.3 Ų71.343%0.43334%0.343SS..Hα-helixtrans-65.9-22.6179-158.862.9130.400113.2D37 I42 L44 R56D37-M39 PolarHBondContact O-N 2.91Å; D37-M39 VanDerWaalsContact OD1-CB 3.26Å; D37-M39 WeakPolarHBondContact OD1-CB 3.02Å; D37-M39 PolarHBondContact OD1-N 2.89Å; M39-I42 WeakPolarHBondContact O-CG1 3.36Å; M39-I42 HydrophobicContact SD-CD1 3.39Å; M39-I42 WeakPolarHBondContact SD-CD1 2.88Å; M39-I42 HydrophobicContact SD-CG1 4.15Å; M39-L44 HydrophobicContact CG-CD1 4Å; M39-L44 HydrophobicContact SD-CD1 4Å; M39-R56 PolarHBondContact O-NH1 3.38Å; M39-R56 VanDerWaalsContact O-NH1 3.14Å
40R77.1Confident80.7Confident156 Ų15671 Ų7159%0.58935%0.348SS*.Hα-helixtrans-79.9-21174.6-62.8-177.5-176.4-165.5-0.8112.7I36 D37 P38 R56I36-R40 HydrophobicContact CG2-CB 4.45Å; D37-R40 HydrophobicContact CB-CG 4.16Å; D37-R40 WeakPolarHBondContact O-CB 3.41Å; D37-R40 PolarHBondContact O-N 3.33Å; P38-R40 PolarHBondContact O-N 2.99Å; R40-R56 PolarHBondContact O-NH1 2.7Å; R40-R56 VanDerWaalsContact O-NH1 3.16Å
41M78.7Confident79.9Confident4 Ų475.1 Ų75.12%0.0237%0.366CS..Hα-helixtrans-95.5-26.3-173.4-58.5-179.460.800112.5F27 I36 P38 T59 A60 F63F27-M41 HydrophobicContact CB-CE 3.49Å; F27-M41 VanDerWaalsContact CB-CE 3.49Å; F27-M41 HydrophobicContact CD1-CE 3.27Å; F27-M41 HydrophobicContact CE1-CE 4.31Å; F27-M41 HydrophobicContact CG-CE 3.79Å; F27-M41 WeakPolarHBondContact O-CE 3.46Å; I36-M41 HydrophobicContact CB-SD 3.96Å; I36-M41 HydrophobicContact CG2-CG 3.81Å; I36-M41 HydrophobicContact CG2-SD 3.79Å; P38-M41 PolarHBondContact O-N 3.22Å; M41-T59 CarbonylContact O-C 3.42Å; M41-T59 WeakPolarHBondContact O-CB 3.28Å; M41-T59 PolarHBondContact O-OG1 3.5Å; M41-A60 PolarHBondContact O-N 2.87Å; M41-F63 HydrophobicContact CB-CB 4.08Å; M41-F63 HydrophobicContact CB-CD1 3.86Å; M41-F63 HydrophobicContact CB-CD2 4.23Å; M41-F63 HydrophobicContact CB-CE1 4.37Å; M41-F63 HydrophobicContact CB-CG 3.77Å; M41-F63 HydrophobicContact CE-CB 3.81Å; M41-F63 HydrophobicContact CE-CD2 3.37Å; M41-F63 HydrophobicContact CE-CE2 4.15Å; M41-F63 HydrophobicContact CE-CG 3.74Å; M41-F63 HydrophobicContact SD-CD2 4Å; M41-F63 HydrophobicContact SD-CE2 4.22Å; M41-F63 HydrophobicContact SD-CG 4.48Å
42I82.7Confident79.5Confident26 Ų2682.6 Ų82.613%0.13340%0.397CS..SBendtrans-73.8155.2172.465.7166.1000112.1P38 M39 L44 R56 F63 Y121 V122P38-I42 PolarHBondContact O-N 3.37Å; M39-I42 WeakPolarHBondContact O-CG1 3.36Å; M39-I42 HydrophobicContact SD-CD1 3.39Å; M39-I42 WeakPolarHBondContact SD-CD1 2.88Å; M39-I42 HydrophobicContact SD-CG1 4.15Å; I42-L44 HydrophobicContact CD1-CD1 4.38Å; I42-L44 HydrophobicContact CD1-CD2 4.03Å; I42-L44 HydrophobicContact CD1-CG 4.05Å; I42-L44 HydrophobicContact CG1-CD1 4.45Å; I42-L44 HydrophobicContact CG1-CG 4.09Å; I42-L44 PolarHBondContact O-N 2.66Å; I42-R56 PolarHBondContact O-NH1 2.55Å; I42-R56 VanDerWaalsContact O-NH1 3.08Å; I42-F63 HydrophobicContact CG2-CD1 3.96Å; I42-F63 HydrophobicContact CG2-CE1 3.75Å; I42-Y121 HydrophobicContact CD1-CD1 4.45Å; I42-V122 HydrophobicContact CG2-CG2 4.37Å
43L79.8Confident79.2Confident0 Ų079.5 Ų79.50%038%0.384CS..  trans-78102.5177.1-166.284.1000110.3W45 R56 P57 A60 S115 Y121 L123L43-W45 HydrophobicContact CD2-CD2 4.32Å; L43-W45 HydrophobicContact CD2-CH2 4.14Å; L43-W45 HydrophobicContact CD2-CZ2 3.27Å; L43-W45 HydrophobicContact CG-CZ2 4.21Å; L43-R56 HydrophobicContact CD1-CB 4.15Å; L43-P57 HydrophobicContact CD1-CB 3.79Å; L43-P57 HydrophobicContact CD1-CG 3.7Å; L43-A60 HydrophobicContact CB-CB 3.84Å; L43-A60 HydrophobicContact CD1-CB 4.43Å; L43-S115 WeakPolarHBondContact CD2-OG 3.09Å; L43-Y121 WeakPolarHBondContact CB-O 3.48Å; L43-Y121 PolarHBondContact N-O 3.1Å; L43-Y121 WeakPolarHBondContact O-CD1 2.95Å; L43-L123 HydrophobicContact CB-CD1 4.4Å; L43-L123 HydrophobicContact CD2-CD1 3.84Å
44L78.5Confident78.8Confident30 Ų3078.7 Ų78.716%0.15739%0.385CS..  trans-108.3104.2170.3-69.4173.8000109.5M39 I42 N46 R47 M48 Y121M39-L44 HydrophobicContact CG-CD1 4Å; M39-L44 HydrophobicContact SD-CD1 4Å; I42-L44 HydrophobicContact CD1-CD1 4.38Å; I42-L44 HydrophobicContact CD1-CD2 4.03Å; I42-L44 HydrophobicContact CD1-CG 4.05Å; I42-L44 HydrophobicContact CG1-CD1 4.45Å; I42-L44 HydrophobicContact CG1-CG 4.09Å; I42-L44 PolarHBondContact O-N 2.66Å; L44-N46 VanDerWaalsContact C-N 3.29Å; L44-N46 PolarHBondContact O-N 2.6Å; L44-R47 HydrophobicContact CB-CB 4.35Å; L44-R47 HydrophobicContact CB-CG 4.26Å; L44-R47 HydrophobicContact CD1-CG 4.46Å; L44-R47 PolarHBondContact O-N 3.27Å; L44-R47 VanDerWaalsContact O-N 3.1Å; L44-M48 PolarHBondContact O-N 3.36Å; L44-Y121 HydrophobicContact CD2-CD1 3.93Å; L44-Y121 HydrophobicContact CD2-CE1 3.84Å
45W75.5Confident78.8Confident32 Ų3279.2 Ų79.212%0.12138%0.378CS..Hα-helixtrans-55.9-42.9179.7-68.7111000112.9L43 R47 M48 Y49 V112 S115 F116L43-W45 HydrophobicContact CD2-CD2 4.32Å; L43-W45 HydrophobicContact CD2-CH2 4.14Å; L43-W45 HydrophobicContact CD2-CZ2 3.27Å; L43-W45 HydrophobicContact CG-CZ2 4.21Å; W45-R47 PolarHBondContact O-N 3.34Å; W45-M48 HydrophobicContact CE3-CE 3.5Å; W45-M48 VanDerWaalsContact CE3-CE 3.5Å; W45-M48 HydrophobicContact CE3-SD 3.78Å; W45-M48 HydrophobicContact CH2-SD 4.45Å; W45-M48 HydrophobicContact CZ3-CE 3.36Å; W45-M48 HydrophobicContact CZ3-SD 3.53Å; W45-M48 VanDerWaalsContact CZ3-SD 3.53Å; W45-M48 WeakPolarHBondContact O-CB 3.28Å; W45-M48 PolarHBondContact O-N 3.1Å; W45-M48 VanDerWaalsContact O-N 3.08Å; W45-Y49 HydrophobicContact CB-CD2 4.4Å; W45-Y49 HydrophobicContact CB-CE2 4.07Å; W45-Y49 AromaticContact CE3-CE2 3.79Å; W45-Y49 HydrophobicContact CE3-CE2 3.79Å; W45-Y49 AromaticContact CE3-CZ 3.97Å; W45-Y49 WeakPolarHBondContact O-CD2 3.34Å; W45-Y49 PolarHBondContact O-N 3.43Å; W45-V112 HydrophobicContact CH2-CG1 3.7Å; W45-V112 VanDerWaalsContact CH2-O 3.26Å; W45-V112 WeakPolarHBondContact CH2-O 3.16Å; W45-V112 HydrophobicContact CZ2-CG1 4.5Å; W45-V112 WeakPolarHBondContact CZ2-O 3.48Å; W45-S115 PolarHBondContact NE1-O 2.77Å; W45-F116 HydrophobicContact CD2-CB 4.22Å; W45-F116 AromaticContact CD2-CD2 3.6Å; W45-F116 HydrophobicContact CD2-CD2 3.6Å; W45-F116 HydrophobicContact CD2-CG 4.37Å; W45-F116 AromaticContact CE2-CD2 4Å; W45-F116 HydrophobicContact CE3-CB 4.3Å; W45-F116 AromaticContact CE3-CD2 3.58Å; W45-F116 HydrophobicContact CE3-CD2 3.58Å; W45-F116 HydrophobicContact CE3-CE2 4.38Å; W45-F116 HydrophobicContact CE3-CG 4.28Å; W45-F116 HydrophobicContact CG-CD2 4.02Å; W45-F116 HydrophobicContact CH2-CB 3.54Å; W45-F116 HydrophobicContact CH2-CD2 4.36Å; W45-F116 HydrophobicContact CH2-CG 4.28Å; W45-F116 HydrophobicContact CZ2-CB 3.42Å; W45-F116 VanDerWaalsContact CZ2-CB 3.42Å; W45-F116 HydrophobicContact CZ2-CD2 4.38Å; W45-F116 HydrophobicContact CZ2-CG 4.36Å; W45-F116 HydrophobicContact CZ3-CB 3.96Å; W45-F116 AromaticContact CZ3-CD2 3.96Å; W45-F116 HydrophobicContact CZ3-CD2 3.96Å; W45-F116 HydrophobicContact CZ3-CG 4.21Å
46N72.8Confident78.8Confident135 Ų13574.4 Ų74.472%0.72235%0.349SS*.Hα-helixtrans-54.4-42.3177.9-172.228.2000112.1L44 S50L44-N46 VanDerWaalsContact C-N 3.29Å; L44-N46 PolarHBondContact O-N 2.6Å; N46-S50 WeakPolarHBondContact O-CB 3.32Å; N46-S50 PolarHBondContact O-N 2.92Å; N46-S50 VanDerWaalsContact O-N 3.12Å
47R70.2Confident79Confident96 Ų9672.1 Ų72.136%0.36234%0.338SS..Hα-helixtrans-77.8-34.1177.9-60.2-165.2-178.6-176.75.3112.8L44 W45 Y49 S50 H51 E53L44-R47 HydrophobicContact CB-CB 4.35Å; L44-R47 HydrophobicContact CB-CG 4.26Å; L44-R47 HydrophobicContact CD1-CG 4.46Å; L44-R47 PolarHBondContact O-N 3.27Å; L44-R47 VanDerWaalsContact O-N 3.1Å; W45-R47 PolarHBondContact O-N 3.34Å; R47-Y49 VanDerWaalsContact C-N 3.34Å; R47-Y49 PolarHBondContact O-N 2.87Å; R47-S50 PolarHBondContact O-N 3.04Å; R47-H51 WeakPolarHBondContact O-CA 3.49Å; R47-H51 WeakPolarHBondContact O-CB 3.17Å; R47-H51 PolarHBondContact O-N 3.47Å; R47-E53 WeakPolarHBondContact CB-OE2 3.42Å
48M73.1Confident79.4Confident35 Ų3572.5 Ų72.517%0.17234%0.339CS..Hα-helixtrans-59.3-44.8176.5-163.4-162.676.200111.6L44 W45 F52 P57L44-M48 PolarHBondContact O-N 3.36Å; W45-M48 HydrophobicContact CE3-CE 3.5Å; W45-M48 VanDerWaalsContact CE3-CE 3.5Å; W45-M48 HydrophobicContact CE3-SD 3.78Å; W45-M48 HydrophobicContact CH2-SD 4.45Å; W45-M48 HydrophobicContact CZ3-CE 3.36Å; W45-M48 HydrophobicContact CZ3-SD 3.53Å; W45-M48 VanDerWaalsContact CZ3-SD 3.53Å; W45-M48 WeakPolarHBondContact O-CB 3.28Å; W45-M48 PolarHBondContact O-N 3.1Å; W45-M48 VanDerWaalsContact O-N 3.08Å; M48-F52 VanDerWaalsContact O-CA 3.32Å; M48-F52 WeakPolarHBondContact O-CA 3.39Å; M48-F52 PolarHBondContact O-N 3.5Å; M48-F52 VanDerWaalsContact O-N 3.13Å; M48-P57 HydrophobicContact SD-CG 4.31Å
49Y73.1Confident79.8Confident121 Ų12171.4 Ų71.448%0.47533%0.331SS..Hα-helixtrans-74.3-42177.5-65.9-63.9000112.9W45 R47 F116W45-Y49 HydrophobicContact CB-CD2 4.4Å; W45-Y49 HydrophobicContact CB-CE2 4.07Å; W45-Y49 AromaticContact CE3-CE2 3.79Å; W45-Y49 HydrophobicContact CE3-CE2 3.79Å; W45-Y49 AromaticContact CE3-CZ 3.97Å; W45-Y49 WeakPolarHBondContact O-CD2 3.34Å; W45-Y49 PolarHBondContact O-N 3.43Å; R47-Y49 VanDerWaalsContact C-N 3.34Å; R47-Y49 PolarHBondContact O-N 2.87Å; Y49-F116 HydrophobicContact CE2-CD2 4.02Å; Y49-F116 AromaticContact CE2-CE2 3.47Å; Y49-F116 HydrophobicContact CE2-CE2 3.47Å; Y49-F116 VanDerWaalsContact CE2-CE2 3.47Å; Y49-F116 HydrophobicContact CE2-CZ 4.26Å; Y49-F116 AromaticContact CZ-CE2 3.59Å; Y49-F116 WeakPolarHBondContact OH-CD2 3.36Å; Y49-F116 WeakPolarHBondContact OH-CE2 3.41Å; Y49-F116 WeakPolarHBondContact OH-CZ 3.27Å
50S73.4Confident80.2Confident77 Ų7767.2 Ų67.254%0.53831%0.311SS..Hα-helixtrans-77.7-28.3-174.8177.70000113.8N46 R47N46-S50 WeakPolarHBondContact O-CB 3.32Å; N46-S50 PolarHBondContact O-N 2.92Å; N46-S50 VanDerWaalsContact O-N 3.12Å; R47-S50 PolarHBondContact O-N 3.04Å
51H76.4Confident80.9Confident128 Ų12860.2 Ų60.259%0.59329%0.285SS*.Hα-helixtrans-125.27-171.7-63.375.7000113.5R47 E53R47-H51 WeakPolarHBondContact O-CA 3.49Å; R47-H51 WeakPolarHBondContact O-CB 3.17Å; R47-H51 PolarHBondContact O-N 3.47Å; H51-E53 VanDerWaalsContact C-N 3.25Å; H51-E53 HydrophobicContact CB-CG 3.9Å; H51-E53 PolarHBondContact O-N 2.67Å
52F78.8Confident81.6Confident163 Ų16361.4 Ų61.472%0.71529%0.291SS*.  trans51.639.9-179.4-70.9-82.9000114.1M48 I54M48-F52 VanDerWaalsContact O-CA 3.32Å; M48-F52 WeakPolarHBondContact O-CA 3.39Å; M48-F52 PolarHBondContact O-N 3.5Å; M48-F52 VanDerWaalsContact O-N 3.13Å; F52-I54 VanDerWaalsContact C-N 3.26Å; F52-I54 PolarHBondContact O-N 3.09Å
53E81.6Confident82Confident30 Ų3060.3 Ų60.314%0.1429%0.286CS..  trans-80.871.4-179.9-60.7-179.8112.400111.1R47 H51 W55 R56R47-E53 WeakPolarHBondContact CB-OE2 3.42Å; H51-E53 VanDerWaalsContact C-N 3.25Å; H51-E53 HydrophobicContact CB-CG 3.9Å; H51-E53 PolarHBondContact O-N 2.67Å; E53-W55 HydrophobicContact CB-CD2 4.27Å; E53-W55 HydrophobicContact CB-CE3 4.44Å; E53-W55 HydrophobicContact CB-CH2 3.86Å; E53-W55 HydrophobicContact CB-CZ2 3.62Å; E53-W55 HydrophobicContact CB-CZ3 4.25Å; E53-W55 HydrophobicContact CG-CH2 3.56Å; E53-W55 HydrophobicContact CG-CZ2 3.44Å; E53-W55 VanDerWaalsContact CG-CZ2 3.44Å; E53-W55 HydrophobicContact CG-CZ3 4.35Å; E53-W55 PolarHBondContact O-N 3.37Å; E53-W55 VanDerWaalsContact O-N 3.15Å; E53-R56 HydrophobicContact CB-CG 3.91Å; E53-R56 WeakPolarHBondContact O-CB 3.42Å; E53-R56 WeakPolarHBondContact O-CG 3.39Å; E53-R56 PolarHBondContact O-N 3.19Å; E53-R56 VanDerWaalsContact O-N 3.14Å; E53-R56 IonicContact OE1-CZ 3.11Å; E53-R56 IonicContact OE1-NE 3.29Å; E53-R56 IonicContact OE1-NH2 3.81Å; E53-R56 PolarHBondContact OE1-NH2 3.44Å; E53-R56 IonicContact OE2-CZ 3.03Å; E53-R56 IonicContact OE2-NE 2.66Å; E53-R56 PolarHBondContact OE2-NE 2.94Å; E53-R56 IonicContact OE2-NH2 2.7Å; E53-R56 PolarHBondContact OE2-NH2 2.92Å
54I83.2Confident82.5Confident130 Ų13060.6 Ų60.667%0.66729%0.287SS*.THydrogen-bonded Turntrans-63.7-18.3-174.7-58.4167.6000112.5F52 R56 P57F52-I54 VanDerWaalsContact C-N 3.26Å; F52-I54 PolarHBondContact O-N 3.09Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 2.99Å; I54-P57 WeakPolarHBondContact O-CD 3.43Å
55W85.1Confident83Confident135 Ų13561.9 Ų61.951%0.51130%0.297SS..THydrogen-bonded Turntrans-74.9-17.8176.960.285.9000113.6E53 P57 I58 T59E53-W55 HydrophobicContact CB-CD2 4.27Å; E53-W55 HydrophobicContact CB-CE3 4.44Å; E53-W55 HydrophobicContact CB-CH2 3.86Å; E53-W55 HydrophobicContact CB-CZ2 3.62Å; E53-W55 HydrophobicContact CB-CZ3 4.25Å; E53-W55 HydrophobicContact CG-CH2 3.56Å; E53-W55 HydrophobicContact CG-CZ2 3.44Å; E53-W55 VanDerWaalsContact CG-CZ2 3.44Å; E53-W55 HydrophobicContact CG-CZ3 4.35Å; E53-W55 PolarHBondContact O-N 3.37Å; E53-W55 VanDerWaalsContact O-N 3.15Å; W55-P57 VanDerWaalsContact C-CD 3.49Å; W55-I58 WeakPolarHBondContact O-CB 3.23Å; W55-I58 PolarHBondContact O-N 2.95Å; W55-T59 PolarHBondContact O-N 3.19Å; W55-T59 PolarHBondContact O-OG1 3.31Å
56R87.8Confident83.6Confident0 Ų062.1 Ų62.10%030%0.302CS..Hα-helixtrans-57-41.6-175.3-72.8-174.1175.8-73.3-13.5115M39 R40 I42 L43 E53 I54 I58 T59 A60M39-R56 PolarHBondContact O-NH1 3.38Å; M39-R56 VanDerWaalsContact O-NH1 3.14Å; R40-R56 PolarHBondContact O-NH1 2.7Å; R40-R56 VanDerWaalsContact O-NH1 3.16Å; I42-R56 PolarHBondContact O-NH1 2.55Å; I42-R56 VanDerWaalsContact O-NH1 3.08Å; L43-R56 HydrophobicContact CD1-CB 4.15Å; E53-R56 HydrophobicContact CB-CG 3.91Å; E53-R56 WeakPolarHBondContact O-CB 3.42Å; E53-R56 WeakPolarHBondContact O-CG 3.39Å; E53-R56 PolarHBondContact O-N 3.19Å; E53-R56 VanDerWaalsContact O-N 3.14Å; E53-R56 IonicContact OE1-CZ 3.11Å; E53-R56 IonicContact OE1-NE 3.29Å; E53-R56 IonicContact OE1-NH2 3.81Å; E53-R56 PolarHBondContact OE1-NH2 3.44Å; E53-R56 IonicContact OE2-CZ 3.03Å; E53-R56 IonicContact OE2-NE 2.66Å; E53-R56 PolarHBondContact OE2-NE 2.94Å; E53-R56 IonicContact OE2-NH2 2.7Å; E53-R56 PolarHBondContact OE2-NH2 2.92Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 2.99Å; R56-I58 VanDerWaalsContact C-N 3.26Å; R56-I58 PolarHBondContact O-N 3.4Å; R56-T59 WeakPolarHBondContact CA-OG1 3.46Å; R56-T59 PolarHBondContact O-N 3.48Å; R56-T59 PolarHBondContact O-OG1 3.33Å; R56-A60 WeakPolarHBondContact O-CB 3.46Å; R56-A60 PolarHBondContact O-N 2.87Å
57P87.6Confident84.3Confident9 Ų957.5 Ų57.56%0.05828%0.28CS..Hα-helixtrans-69.8-25.1177.4-11.526.5000113.1L43 M48 I54 W55 L61 W108 V112L43-P57 HydrophobicContact CD1-CB 3.79Å; L43-P57 HydrophobicContact CD1-CG 3.7Å; M48-P57 HydrophobicContact SD-CG 4.31Å; I54-P57 WeakPolarHBondContact O-CD 3.43Å; W55-P57 VanDerWaalsContact C-CD 3.49Å; P57-L61 PolarHBondContact O-N 3.47Å; P57-W108 HydrophobicContact CB-CZ2 3.86Å; P57-W108 PolarHBondContact O-NE1 3.3Å; P57-V112 HydrophobicContact CB-CG1 4.29Å; P57-V112 HydrophobicContact CB-CG2 3.64Å; P57-V112 HydrophobicContact CG-CG1 4.46Å
58I89.5Confident85Confident87 Ų8759 Ų5945%0.44630%0.302SS..Hα-helixtrans-74.4-47.3173.1-57.5174.6000109.3W55 R56 A60 L61 L62 W108W55-I58 WeakPolarHBondContact O-CB 3.23Å; W55-I58 PolarHBondContact O-N 2.95Å; R56-I58 VanDerWaalsContact C-N 3.26Å; R56-I58 PolarHBondContact O-N 3.4Å; I58-A60 VanDerWaalsContact C-N 3.31Å; I58-A60 PolarHBondContact O-N 3.27Å; I58-L61 WeakPolarHBondContact O-CB 3.26Å; I58-L61 PolarHBondContact O-N 2.85Å; I58-L62 HydrophobicContact CG2-CD1 4.46Å; I58-L62 PolarHBondContact O-N 2.71Å; I58-W108 HydrophobicContact CG1-CH2 4.01Å; I58-W108 HydrophobicContact CG1-CZ2 3.62Å
59T89.6Confident85.7Confident17 Ų1762.3 Ų62.310%0.10433%0.329CS..Hα-helixtrans-64.6-37177.557.70000111.8M41 W55 R56 L61 L62 F63M41-T59 CarbonylContact O-C 3.42Å; M41-T59 WeakPolarHBondContact O-CB 3.28Å; M41-T59 PolarHBondContact O-OG1 3.5Å; W55-T59 PolarHBondContact O-N 3.19Å; W55-T59 PolarHBondContact O-OG1 3.31Å; R56-T59 WeakPolarHBondContact CA-OG1 3.46Å; R56-T59 PolarHBondContact O-N 3.48Å; R56-T59 PolarHBondContact O-OG1 3.33Å; T59-L61 PolarHBondContact O-N 3.4Å; T59-L62 PolarHBondContact O-N 2.69Å; T59-L62 VanDerWaalsContact O-N 3.15Å; T59-F63 WeakPolarHBondContact O-CB 3.42Å; T59-F63 PolarHBondContact O-N 2.89Å
60A90.1Very high86.5Confident0 Ų058.3 Ų58.30%032%0.317CS..Hα-helixtrans-67.3-23.2177.200000113.4M41 L43 R56 I58 L123 L124M41-A60 PolarHBondContact O-N 2.87Å; L43-A60 HydrophobicContact CB-CB 3.84Å; L43-A60 HydrophobicContact CD1-CB 4.43Å; R56-A60 WeakPolarHBondContact O-CB 3.46Å; R56-A60 PolarHBondContact O-N 2.87Å; I58-A60 VanDerWaalsContact C-N 3.31Å; I58-A60 PolarHBondContact O-N 3.27Å; A60-L123 HydrophobicContact CB-CD1 3.94Å; A60-L123 PolarHBondContact O-N 2.87Å; A60-L124 PolarHBondContact O-N 3.07Å
61L92.3Very high87.3Confident9 Ų955.6 Ų55.65%0.04730%0.301CS..Hα-helixtrans-75.6-34.8172.7-172.266.3000112.2P57 I58 T59 F104 W108 L123 L124 M127P57-L61 PolarHBondContact O-N 3.47Å; I58-L61 WeakPolarHBondContact O-CB 3.26Å; I58-L61 PolarHBondContact O-N 2.85Å; T59-L61 PolarHBondContact O-N 3.4Å; L61-F104 HydrophobicContact CD2-CE1 3.56Å; L61-F104 HydrophobicContact CD2-CZ 3.7Å; L61-W108 HydrophobicContact CD2-CG 4.15Å; L61-L123 HydrophobicContact CD1-CB 4.32Å; L61-L124 WeakPolarHBondContact O-CD1 3.02Å; L61-M127 HydrophobicContact CD1-CB 3.57Å; L61-M127 HydrophobicContact CD1-CG 3.52Å; L61-M127 HydrophobicContact CD1-SD 4.19Å
62L92.6Very high88Confident29 Ų2955.4 Ų55.415%0.15230%0.299CS..Hα-helixtrans-91.4-29.1-177-59.9178.2000112.1T24 F27 I58 T59T24-L62 WeakPolarHBondContact CA-O 3.37Å; T24-L62 PolarHBondContact OG1-O 3.47Å; F27-L62 HydrophobicContact CB-CB 4.29Å; F27-L62 HydrophobicContact CD2-CB 3.66Å; F27-L62 HydrophobicContact CD2-CD1 3.61Å; F27-L62 HydrophobicContact CD2-CG 4.27Å; F27-L62 HydrophobicContact CE2-CB 4.32Å; F27-L62 HydrophobicContact CE2-CD1 3.42Å; F27-L62 VanDerWaalsContact CE2-CD1 3.42Å; F27-L62 HydrophobicContact CG-CB 4.2Å; F27-L62 HydrophobicContact CZ-CD1 4.41Å; I58-L62 HydrophobicContact CG2-CD1 4.46Å; I58-L62 PolarHBondContact O-N 2.71Å; T59-L62 PolarHBondContact O-N 2.69Å; T59-L62 VanDerWaalsContact O-N 3.15Å
63F90.9Very high88.6Confident4 Ų448.5 Ų48.52%0.01827%0.269CS..  trans-85.5139.5-172.8178.3-118.1000113.3P38 M41 I42 T59 P65 V122P38-F63 HydrophobicContact CB-CE1 4.4Å; P38-F63 HydrophobicContact CB-CZ 3.92Å; M41-F63 HydrophobicContact CB-CB 4.08Å; M41-F63 HydrophobicContact CB-CD1 3.86Å; M41-F63 HydrophobicContact CB-CD2 4.23Å; M41-F63 HydrophobicContact CB-CE1 4.37Å; M41-F63 HydrophobicContact CB-CG 3.77Å; M41-F63 HydrophobicContact CE-CB 3.81Å; M41-F63 HydrophobicContact CE-CD2 3.37Å; M41-F63 HydrophobicContact CE-CE2 4.15Å; M41-F63 HydrophobicContact CE-CG 3.74Å; M41-F63 HydrophobicContact SD-CD2 4Å; M41-F63 HydrophobicContact SD-CE2 4.22Å; M41-F63 HydrophobicContact SD-CG 4.48Å; I42-F63 HydrophobicContact CG2-CD1 3.96Å; I42-F63 HydrophobicContact CG2-CE1 3.75Å; T59-F63 WeakPolarHBondContact O-CB 3.42Å; T59-F63 PolarHBondContact O-N 2.89Å; F63-P65 HydrophobicContact CE1-CB 4.06Å; F63-P65 HydrophobicContact CZ-CB 4.03Å; F63-V122 WeakPolarHBondContact O-CG1 3.45Å
64Y91.1Very high89.1Confident5 Ų548 Ų482%0.0227%0.266CS..  trans-128.2130.6163.7-162.3-101.7000111.3S28 V66 H73 F74 V122 L124 E125S28-Y64 PolarHBondContact OG-N 2.89Å; Y64-V66 HydrophobicContact CD1-CG2 4.24Å; Y64-V66 PolarHBondContact O-N 3.14Å; Y64-H73 AromaticContact CZ-ND1 3.68Å; Y64-H73 PolarHBondContact OH-ND1 3.24Å; Y64-F74 VanDerWaalsContact CB-CD2 3.49Å; Y64-F74 HydrophobicContact CD1-CB 3.53Å; Y64-F74 AromaticContact CD1-CD2 3.51Å; Y64-F74 HydrophobicContact CD1-CD2 3.51Å; Y64-F74 AromaticContact CD1-CG 3.85Å; Y64-F74 HydrophobicContact CD1-CG 3.85Å; Y64-F74 HydrophobicContact CE1-CB 3.73Å; Y64-F74 HydrophobicContact CE1-CD2 4.43Å; Y64-F74 HydrophobicContact CG-CB 4.42Å; Y64-F74 AromaticContact CG-CD2 3.6Å; Y64-F74 HydrophobicContact CG-CD2 3.6Å; Y64-F74 HydrophobicContact CG-CE2 4.36Å; Y64-F74 HydrophobicContact CG-CG 4.4Å; Y64-V122 HydrophobicContact CD2-CG1 4.44Å; Y64-L124 HydrophobicContact CD2-CD2 3.89Å; Y64-L124 HydrophobicContact CG-CD2 4.14Å; Y64-E125 HydrophobicContact CD2-CG 4.33Å; Y64-E125 HydrophobicContact CE2-CG 3.6Å; Y64-E125 WeakPolarHBondContact CE2-OE1 3.34Å; Y64-E125 VanDerWaalsContact CZ-OE1 3.28Å; Y64-E125 PolarHBondContact OH-OE1 3.38Å
65P88.1Confident89.6Confident58 Ų5846.9 Ų46.938%0.37726%0.261SS..  trans-73.296.5176.729.1-33.1000110.8F63 S67 T70 V122F63-P65 HydrophobicContact CE1-CB 4.06Å; F63-P65 HydrophobicContact CZ-CB 4.03Å; P65-S67 PolarHBondContact O-N 2.86Å; P65-T70 PolarHBondContact O-OG1 3.28Å; P65-V122 HydrophobicContact CG-CG2 4.45Å
66V88.1Confident90Very high37 Ų3741.4 Ų41.422%0.22424%0.241CC..  trans-82.7105.4-179.4-174.70000111.3K32 Y64 F74K32-V66 WeakPolarHBondContact CD-O 3.48Å; K32-V66 PolarHBondContact NZ-O 2.84Å; Y64-V66 HydrophobicContact CD1-CG2 4.24Å; Y64-V66 PolarHBondContact O-N 3.14Å; V66-F74 HydrophobicContact CG2-CB 4.36Å; V66-F74 HydrophobicContact CG2-CD1 3.94Å; V66-F74 HydrophobicContact CG2-CD2 4.26Å; V66-F74 HydrophobicContact CG2-CE1 4.31Å; V66-F74 HydrophobicContact CG2-CG 3.91Å
67S87.1Confident90.2Very high37 Ų3742 Ų4226%0.25924%0.244SC..  trans-110.9167.8168.477.70000110P65 S69 T70 G71P65-S67 PolarHBondContact O-N 2.86Å; S67-S69 PolarHBondContact O-N 3.33Å; S67-S69 PolarHBondContact OG-N 3.49Å; S67-S69 PolarHBondContact OG-OG 3.29Å; S67-T70 PolarHBondContact N-OG1 2.92Å; S67-T70 PolarHBondContact O-N 3.43Å; S67-T70 VanDerWaalsContact O-N 3.15Å; S67-T70 PolarHBondContact OG-N 2.9Å; S67-T70 VanDerWaalsContact OG-N 3.16Å; S67-T70 PolarHBondContact OG-OG1 3.38Å; S67-G71 PolarHBondContact O-N 2.83Å
68P86.6Confident90.6Very high128 Ų12842.5 Ų42.583%0.83125%0.247SC*.THydrogen-bonded Turntrans-55.1-29.7173-26.636.3000113.8
69S86.8Confident90.8Very high105 Ų10544.4 Ų44.473%0.73425%0.249SC*.THydrogen-bonded Turntrans-83-29177.555.30000113.7S67S67-S69 PolarHBondContact O-N 3.33Å; S67-S69 PolarHBondContact OG-N 3.49Å; S67-S69 PolarHBondContact OG-OG 3.29Å
70T89.7Confident91.1Very high36 Ų3644.3 Ų44.322%0.22125%0.247CC..THydrogen-bonded Turntrans-99.3-9.5-178.265.70000113.8P65 S67 F72 H73 F74P65-T70 PolarHBondContact O-OG1 3.28Å; S67-T70 PolarHBondContact N-OG1 2.92Å; S67-T70 PolarHBondContact O-N 3.43Å; S67-T70 VanDerWaalsContact O-N 3.15Å; S67-T70 PolarHBondContact OG-N 2.9Å; S67-T70 VanDerWaalsContact OG-N 3.16Å; S67-T70 PolarHBondContact OG-OG1 3.38Å; T70-F72 VanDerWaalsContact C-N 3.28Å; T70-F72 PolarHBondContact O-N 3.38Å; T70-H73 WeakPolarHBondContact O-CB 3.42Å; T70-H73 PolarHBondContact O-N 2.69Å; T70-H73 VanDerWaalsContact O-N 3.09Å; T70-F74 PolarHBondContact O-N 3.12Å
71G90.1Very high91.4Very high20 Ų2044.4 Ų44.421%0.20625%0.248CC..Hα-helixtrans-58.4-37.4-175.600000113.6S67 F74 L75S67-G71 PolarHBondContact O-N 2.83Å; G71-F74 WeakPolarHBondContact O-CB 3.41Å; G71-F74 PolarHBondContact O-N 2.85Å; G71-L75 WeakPolarHBondContact O-CG 3.14Å; G71-L75 PolarHBondContact O-N 3.49Å; G71-L75 VanDerWaalsContact O-N 3.1Å
72F90.8Very high91.5Very high125 Ų12547.9 Ų47.955%0.54826%0.261SS..Hα-helixtrans-67.4-43.9175.5-175.6-126.1000112.7T70 F74 L75 I76 W147T70-F72 VanDerWaalsContact C-N 3.28Å; T70-F72 PolarHBondContact O-N 3.38Å; F72-F74 VanDerWaalsContact C-N 3.28Å; F72-F74 PolarHBondContact O-N 2.93Å; F72-L75 PolarHBondContact O-N 2.88Å; F72-L75 VanDerWaalsContact O-N 3.16Å; F72-I76 HydrophobicContact CD1-CD1 3.91Å; F72-I76 HydrophobicContact CE1-CD1 3.83Å; F72-I76 HydrophobicContact CE2-CD1 4.49Å; F72-I76 HydrophobicContact CG-CD1 4.37Å; F72-I76 HydrophobicContact CZ-CD1 4.16Å; F72-I76 WeakPolarHBondContact O-CG1 3.37Å; F72-I76 PolarHBondContact O-N 3.18Å; F72-W147 HydrophobicContact CD1-CH2 4.48Å; F72-W147 AromaticContact CE1-CH2 3.27Å; F72-W147 HydrophobicContact CE1-CH2 3.27Å; F72-W147 HydrophobicContact CE1-CZ2 4.31Å; F72-W147 AromaticContact CE1-CZ3 3.86Å; F72-W147 HydrophobicContact CE1-CZ3 3.86Å; F72-W147 HydrophobicContact CE2-CH2 4.04Å; F72-W147 AromaticContact CZ-CH2 2.99Å; F72-W147 HydrophobicContact CZ-CH2 2.99Å; F72-W147 AromaticContact CZ-CZ2 3.82Å; F72-W147 HydrophobicContact CZ-CZ2 3.82Å; F72-W147 AromaticContact CZ-CZ3 3.64Å; F72-W147 HydrophobicContact CZ-CZ3 3.64Å
73H91Very high91.5Very high17 Ų1747 Ų478%0.07926%0.257CS..Hα-helixtrans-63-37.3176.1-172.1-109.7000111.7Y64 T70 I76 N77 E125 R169Y64-H73 AromaticContact CZ-ND1 3.68Å; Y64-H73 PolarHBondContact OH-ND1 3.24Å; T70-H73 WeakPolarHBondContact O-CB 3.42Å; T70-H73 PolarHBondContact O-N 2.69Å; T70-H73 VanDerWaalsContact O-N 3.09Å; H73-I76 PolarHBondContact O-N 3.15Å; H73-N77 PolarHBondContact CE1-ND2 3.4Å; H73-N77 PolarHBondContact ND1-ND2 2.84Å; H73-N77 VanDerWaalsContact ND1-ND2 3.18Å; H73-N77 WeakPolarHBondContact O-CB 3.37Å; H73-N77 PolarHBondContact O-N 3.22Å; H73-N77 PolarHBondContact O-ND2 3.2Å; H73-E125 VanDerWaalsContact CE1-CD 3.43Å; H73-E125 IonicContact CE1-OE1 2.99Å; H73-E125 PolarHBondContact CE1-OE1 2.92Å; H73-E125 IonicContact CE1-OE2 3.91Å; H73-E125 IonicContact ND1-OE1 3.04Å; H73-E125 PolarHBondContact ND1-OE1 3.5Å; H73-R169 PolarHBondContact CE1-NH1 3.04Å
74F93.1Very high91.7Very high21 Ų2147.1 Ų47.19%0.09226%0.257CS..Hα-helixtrans-58.4-48.3171.4176-114.6000112.1T24 S28 Y64 V66 T70 G71 F72 I76 N77 L78T24-F74 HydrophobicContact CG2-CE2 3.71Å; T24-F74 HydrophobicContact CG2-CZ 4.2Å; S28-F74 VanDerWaalsContact OG-CE2 3.31Å; S28-F74 WeakPolarHBondContact OG-CE2 3.26Å; Y64-F74 VanDerWaalsContact CB-CD2 3.49Å; Y64-F74 HydrophobicContact CD1-CB 3.53Å; Y64-F74 AromaticContact CD1-CD2 3.51Å; Y64-F74 HydrophobicContact CD1-CD2 3.51Å; Y64-F74 AromaticContact CD1-CG 3.85Å; Y64-F74 HydrophobicContact CD1-CG 3.85Å; Y64-F74 HydrophobicContact CE1-CB 3.73Å; Y64-F74 HydrophobicContact CE1-CD2 4.43Å; Y64-F74 HydrophobicContact CG-CB 4.42Å; Y64-F74 AromaticContact CG-CD2 3.6Å; Y64-F74 HydrophobicContact CG-CD2 3.6Å; Y64-F74 HydrophobicContact CG-CE2 4.36Å; Y64-F74 HydrophobicContact CG-CG 4.4Å; V66-F74 HydrophobicContact CG2-CB 4.36Å; V66-F74 HydrophobicContact CG2-CD1 3.94Å; V66-F74 HydrophobicContact CG2-CD2 4.26Å; V66-F74 HydrophobicContact CG2-CE1 4.31Å; V66-F74 HydrophobicContact CG2-CG 3.91Å; T70-F74 PolarHBondContact O-N 3.12Å; G71-F74 WeakPolarHBondContact O-CB 3.41Å; G71-F74 PolarHBondContact O-N 2.85Å; F72-F74 VanDerWaalsContact C-N 3.28Å; F72-F74 PolarHBondContact O-N 2.93Å; F74-I76 VanDerWaalsContact C-N 3.32Å; F74-I76 PolarHBondContact O-N 3.48Å; F74-N77 PolarHBondContact O-N 3.44Å; F74-L78 HydrophobicContact CE1-CD2 4.25Å; F74-L78 HydrophobicContact CZ-CD2 4.34Å; F74-L78 VanDerWaalsContact O-CB 3.27Å; F74-L78 WeakPolarHBondContact O-CB 3.4Å; F74-L78 PolarHBondContact O-N 3.39Å
75L94Very high91.9Very high106 Ų10646.9 Ų46.956%0.55526%0.256SS*.Hα-helixtrans-62.3-39.5179-69.3174.8000112.3G71 F72 L78 Y79G71-L75 WeakPolarHBondContact O-CG 3.14Å; G71-L75 PolarHBondContact O-N 3.49Å; G71-L75 VanDerWaalsContact O-N 3.1Å; F72-L75 PolarHBondContact O-N 2.88Å; F72-L75 VanDerWaalsContact O-N 3.16Å; L75-L78 PolarHBondContact O-N 3.36Å; L75-Y79 WeakPolarHBondContact O-CB 3.41Å; L75-Y79 PolarHBondContact O-N 2.97Å
76I92.6Very high92.2Very high19 Ų1944.7 Ų44.710%0.09724%0.243CC..Hα-helixtrans-63.4-48.1175.4-66.5168.6000110.5F72 H73 F74 L78 Y79 F80 W147F72-I76 HydrophobicContact CD1-CD1 3.91Å; F72-I76 HydrophobicContact CE1-CD1 3.83Å; F72-I76 HydrophobicContact CE2-CD1 4.49Å; F72-I76 HydrophobicContact CG-CD1 4.37Å; F72-I76 HydrophobicContact CZ-CD1 4.16Å; F72-I76 WeakPolarHBondContact O-CG1 3.37Å; F72-I76 PolarHBondContact O-N 3.18Å; H73-I76 PolarHBondContact O-N 3.15Å; F74-I76 VanDerWaalsContact C-N 3.32Å; F74-I76 PolarHBondContact O-N 3.48Å; I76-L78 VanDerWaalsContact C-N 3.27Å; I76-L78 PolarHBondContact O-N 2.9Å; I76-Y79 WeakPolarHBondContact O-CB 3.41Å; I76-Y79 PolarHBondContact O-N 2.92Å; I76-F80 HydrophobicContact CG2-CD2 3.81Å; I76-F80 HydrophobicContact CG2-CE1 4.23Å; I76-F80 HydrophobicContact CG2-CE2 3.27Å; I76-F80 HydrophobicContact CG2-CG 4.48Å; I76-F80 HydrophobicContact CG2-CZ 3.51Å; I76-F80 WeakPolarHBondContact O-CG 3.29Å; I76-F80 PolarHBondContact O-N 3.28Å; I76-W147 HydrophobicContact CD1-CH2 3.66Å; I76-W147 HydrophobicContact CD1-CZ2 3.57Å; I76-W147 HydrophobicContact CG1-CH2 4.45Å; I76-W147 HydrophobicContact CG1-CZ2 3.95Å
77N93.6Very high92.5Very high12 Ų1248.2 Ų48.26%0.06425%0.252CS..Hα-helixtrans-61.8-37.6176.4-79.2-40.8000112H73 F74 F80 L81H73-N77 PolarHBondContact CE1-ND2 3.4Å; H73-N77 PolarHBondContact ND1-ND2 2.84Å; H73-N77 VanDerWaalsContact ND1-ND2 3.18Å; H73-N77 WeakPolarHBondContact O-CB 3.37Å; H73-N77 PolarHBondContact O-N 3.22Å; H73-N77 PolarHBondContact O-ND2 3.2Å; F74-N77 PolarHBondContact O-N 3.44Å; N77-F80 PolarHBondContact O-N 2.92Å; N77-L81 VanDerWaalsContact O-CB 3.24Å; N77-L81 WeakPolarHBondContact O-CB 3.18Å; N77-L81 PolarHBondContact O-N 3.49Å
78L94.9Very high92.7Very high20 Ų2046.6 Ų46.611%0.10524%0.24CC..Hα-helixtrans-66-40176.6-172.165.2000111.5F21 T24 I25 F74 L75 I76 Y82F21-L78 HydrophobicContact CD2-CD1 3.48Å; F21-L78 VanDerWaalsContact CD2-CD1 3.48Å; F21-L78 HydrophobicContact CD2-CG 4.07Å; F21-L78 HydrophobicContact CE2-CD1 3.42Å; F21-L78 VanDerWaalsContact CE2-CD1 3.42Å; F21-L78 HydrophobicContact CE2-CD2 4.16Å; F21-L78 HydrophobicContact CE2-CG 3.49Å; F21-L78 VanDerWaalsContact CE2-CG 3.49Å; F21-L78 HydrophobicContact CG-CD1 4.29Å; F21-L78 HydrophobicContact CZ-CD1 4.16Å; F21-L78 HydrophobicContact CZ-CD2 4.33Å; F21-L78 HydrophobicContact CZ-CG 4.15Å; T24-L78 HydrophobicContact CG2-CD1 4.22Å; I25-L78 HydrophobicContact CD1-CD1 4.31Å; I25-L78 HydrophobicContact CD1-CD2 4.07Å; I25-L78 HydrophobicContact CG1-CD1 3.88Å; I25-L78 HydrophobicContact CG1-CD2 3.88Å; F74-L78 HydrophobicContact CE1-CD2 4.25Å; F74-L78 HydrophobicContact CZ-CD2 4.34Å; F74-L78 VanDerWaalsContact O-CB 3.27Å; F74-L78 WeakPolarHBondContact O-CB 3.4Å; F74-L78 PolarHBondContact O-N 3.39Å; L75-L78 PolarHBondContact O-N 3.36Å; I76-L78 VanDerWaalsContact C-N 3.27Å; I76-L78 PolarHBondContact O-N 2.9Å; L78-Y82 WeakPolarHBondContact O-CB 3.08Å; L78-Y82 PolarHBondContact O-N 3.41Å
79Y94.4Very high93.1Very high128 Ų12840.8 Ų40.850%0.50220%0.202SC..Hα-helixtrans-64-44.8172.1170.2-101.9000111.8L75 I76 Y82 S83L75-Y79 WeakPolarHBondContact O-CB 3.41Å; L75-Y79 PolarHBondContact O-N 2.97Å; I76-Y79 WeakPolarHBondContact O-CB 3.41Å; I76-Y79 PolarHBondContact O-N 2.92Å; Y79-Y82 PolarHBondContact O-N 3.5Å; Y79-S83 WeakPolarHBondContact O-CB 3.48Å; Y79-S83 PolarHBondContact O-N 2.96Å
80F95.1Very high93.3Very high14 Ų1439.7 Ų39.76%0.06119%0.188CC..Hα-helixtrans-64.9-42.2177.6-68.2-20.1000112.2I76 N77 Y84 V128 L132 F146 F157 L161I76-F80 HydrophobicContact CG2-CD2 3.81Å; I76-F80 HydrophobicContact CG2-CE1 4.23Å; I76-F80 HydrophobicContact CG2-CE2 3.27Å; I76-F80 HydrophobicContact CG2-CG 4.48Å; I76-F80 HydrophobicContact CG2-CZ 3.51Å; I76-F80 WeakPolarHBondContact O-CG 3.29Å; I76-F80 PolarHBondContact O-N 3.28Å; N77-F80 PolarHBondContact O-N 2.92Å; F80-Y84 HydrophobicContact CB-CD2 4.05Å; F80-Y84 HydrophobicContact CB-CE2 4.4Å; F80-Y84 HydrophobicContact CD1-CD2 4.21Å; F80-Y84 AromaticContact CD1-CE2 3.69Å; F80-Y84 HydrophobicContact CD1-CE2 3.69Å; F80-Y84 HydrophobicContact CE1-CE2 4.35Å; F80-Y84 HydrophobicContact CG-CD2 4.41Å; F80-Y84 HydrophobicContact CG-CE2 4.28Å; F80-Y84 WeakPolarHBondContact O-CB 3.22Å; F80-Y84 VanDerWaalsContact O-CD2 3.3Å; F80-Y84 WeakPolarHBondContact O-CD2 3.4Å; F80-Y84 PolarHBondContact O-N 2.98Å; F80-V128 HydrophobicContact CB-CG1 3.59Å; F80-L132 HydrophobicContact CB-CD1 4.26Å; F80-L132 HydrophobicContact CD2-CD1 4.14Å; F80-L132 HydrophobicContact CG-CD1 4.09Å; F80-F146 HydrophobicContact CZ-CE2 4.48Å; F80-F157 HydrophobicContact CD1-CZ 4.44Å; F80-F157 HydrophobicContact CE1-CE1 4.48Å; F80-F157 AromaticContact CE1-CZ 3.77Å; F80-F157 HydrophobicContact CE1-CZ 3.77Å; F80-F157 AromaticContact CZ-CZ 3.83Å; F80-F157 HydrophobicContact CZ-CZ 3.83Å; F80-L161 HydrophobicContact CD2-CD1 4.19Å; F80-L161 HydrophobicContact CE2-CD1 3.69Å; F80-L161 HydrophobicContact CE2-CD2 3.68Å; F80-L161 HydrophobicContact CE2-CG 4.37Å; F80-L161 HydrophobicContact CZ-CD1 4.22Å; F80-L161 HydrophobicContact CZ-CD2 3.75Å
81L95.8Very high93.3Very high2 Ų240.2 Ų40.21%0.0120%0.201CC..Iπ-helixtrans-53.5-60.8171.7-170.5168.8000108.8T17 W20 F21 T24 N77 S83 S85 L124 V128T17-L81 HydrophobicContact CG2-CD2 4.37Å; W20-L81 HydrophobicContact CD2-CD1 3.66Å; W20-L81 HydrophobicContact CD2-CD2 3.87Å; W20-L81 HydrophobicContact CD2-CG 3.7Å; W20-L81 HydrophobicContact CE3-CD1 4.06Å; W20-L81 HydrophobicContact CE3-CD2 3.6Å; W20-L81 HydrophobicContact CE3-CG 3.54Å; W20-L81 HydrophobicContact CG-CD1 4.07Å; W20-L81 HydrophobicContact CG-CD2 4.29Å; W20-L81 HydrophobicContact CG-CG 4.43Å; W20-L81 HydrophobicContact CH2-CD1 4.31Å; W20-L81 HydrophobicContact CH2-CG 3.91Å; W20-L81 HydrophobicContact CZ2-CD1 3.9Å; W20-L81 HydrophobicContact CZ2-CG 4.02Å; W20-L81 HydrophobicContact CZ3-CD1 4.37Å; W20-L81 HydrophobicContact CZ3-CD2 4.12Å; W20-L81 HydrophobicContact CZ3-CG 3.66Å; F21-L81 HydrophobicContact CB-CD2 3.86Å; F21-L81 HydrophobicContact CD2-CD2 4.21Å; T24-L81 HydrophobicContact CG2-CD1 4.43Å; N77-L81 VanDerWaalsContact O-CB 3.24Å; N77-L81 WeakPolarHBondContact O-CB 3.18Å; N77-L81 PolarHBondContact O-N 3.49Å; L81-S83 PolarHBondContact O-N 3.47Å; L81-S85 WeakPolarHBondContact O-CA 3.32Å; L81-S85 WeakPolarHBondContact O-CB 3.31Å; L81-S85 PolarHBondContact O-N 2.97Å; L81-L124 HydrophobicContact CD1-CD1 4.12Å; L81-V128 HydrophobicContact CB-CG2 3.9Å; L81-V128 HydrophobicContact CD1-CG2 4.23Å; L81-V128 HydrophobicContact CG-CG2 4.21Å
82Y95.1Very high93.1Very high83 Ų8341.1 Ų41.133%0.32520%0.2SC..Iπ-helixtrans-56.1-52.5-178.5170.2-114.3000112.7I13 F21 L78 Y79 S86I13-Y82 HydrophobicContact CD1-CD2 4.02Å; I13-Y82 HydrophobicContact CD1-CE2 3.77Å; I13-Y82 HydrophobicContact CG1-CD2 4.42Å; I13-Y82 HydrophobicContact CG1-CE2 3.79Å; I13-Y82 HydrophobicContact CG2-CD2 4.31Å; I13-Y82 HydrophobicContact CG2-CE2 4.22Å; F21-Y82 HydrophobicContact CE2-CG 4.47Å; L78-Y82 WeakPolarHBondContact O-CB 3.08Å; L78-Y82 PolarHBondContact O-N 3.41Å; Y79-Y82 PolarHBondContact O-N 3.5Å; Y82-S86 WeakPolarHBondContact O-CB 3.37Å; Y82-S86 PolarHBondContact O-N 3.36Å; Y82-S86 VanDerWaalsContact O-N 3.09Å; Y82-S86 PolarHBondContact O-OG 3.34Å
83S93.4Very high92.8Very high10 Ų1035.6 Ų35.67%0.0718%0.176CC..Iπ-helixtrans-67.5-51-172.2-176.70000112.2Y79 L81 R87Y79-S83 WeakPolarHBondContact O-CB 3.48Å; Y79-S83 PolarHBondContact O-N 2.96Å; L81-S83 PolarHBondContact O-N 3.47Å; S83-R87 WeakPolarHBondContact O-CB 3.46Å; S83-R87 VanDerWaalsContact O-CD 3.31Å; S83-R87 WeakPolarHBondContact O-CD 3.29Å; S83-R87 WeakPolarHBondContact O-CG 3.15Å; S83-R87 PolarHBondContact O-N 3.39Å; S83-R87 VanDerWaalsContact O-N 3.1Å; S83-R87 PolarHBondContact OG-NE 3.41Å; S83-R87 PolarHBondContact OG-NH2 2.99Å
84Y94.8Very high92.7Very high6 Ų638.5 Ų38.52%0.02419%0.192CC..Iπ-helixtrans-82.8-35.4-173.2-65.2-72.6000112.7F80 R87 L88 L132 W135 F157F80-Y84 HydrophobicContact CB-CD2 4.05Å; F80-Y84 HydrophobicContact CB-CE2 4.4Å; F80-Y84 HydrophobicContact CD1-CD2 4.21Å; F80-Y84 AromaticContact CD1-CE2 3.69Å; F80-Y84 HydrophobicContact CD1-CE2 3.69Å; F80-Y84 HydrophobicContact CE1-CE2 4.35Å; F80-Y84 HydrophobicContact CG-CD2 4.41Å; F80-Y84 HydrophobicContact CG-CE2 4.28Å; F80-Y84 WeakPolarHBondContact O-CB 3.22Å; F80-Y84 VanDerWaalsContact O-CD2 3.3Å; F80-Y84 WeakPolarHBondContact O-CD2 3.4Å; F80-Y84 PolarHBondContact O-N 2.98Å; Y84-R87 PolarHBondContact O-N 3.14Å; Y84-L88 VanDerWaalsContact O-CB 3.25Å; Y84-L88 WeakPolarHBondContact O-CB 3.25Å; Y84-L88 PolarHBondContact O-N 3.36Å; Y84-L132 HydrophobicContact CD1-CG 4.42Å; Y84-L132 HydrophobicContact CD2-CB 4.24Å; Y84-L132 HydrophobicContact CD2-CD1 3.77Å; Y84-L132 HydrophobicContact CD2-CG 3.87Å; Y84-L132 HydrophobicContact CE2-CD1 3.88Å; Y84-L132 HydrophobicContact CE2-CG 4.15Å; Y84-L132 HydrophobicContact CG-CB 4.18Å; Y84-L132 HydrophobicContact CG-CD1 4.44Å; Y84-L132 HydrophobicContact CG-CG 4.05Å; Y84-W135 HydrophobicContact CD1-CB 4.38Å; Y84-W135 AromaticContact CD1-CD2 3.59Å; Y84-W135 HydrophobicContact CD1-CD2 3.59Å; Y84-W135 AromaticContact CD1-CE3 3.41Å; Y84-W135 HydrophobicContact CD1-CE3 3.41Å; Y84-W135 VanDerWaalsContact CD1-CE3 3.41Å; Y84-W135 HydrophobicContact CD1-CG 4.01Å; Y84-W135 AromaticContact CD1-CZ3 3.98Å; Y84-W135 HydrophobicContact CD1-CZ3 3.98Å; Y84-W135 AromaticContact CE1-CD2 3.97Å; Y84-W135 HydrophobicContact CE1-CD2 3.97Å; Y84-W135 AromaticContact CE1-CE3 3.39Å; Y84-W135 HydrophobicContact CE1-CE3 3.39Å; Y84-W135 HydrophobicContact CE1-CH2 4.05Å; Y84-W135 AromaticContact CE1-CZ3 3.46Å; Y84-W135 HydrophobicContact CE1-CZ3 3.46Å; Y84-W135 VanDerWaalsContact CE1-CZ3 3.46Å; Y84-F157 HydrophobicContact CD2-CE1 4.45Å; Y84-F157 HydrophobicContact CE1-CD1 4.33Å; Y84-F157 HydrophobicContact CE1-CE1 4.14Å; Y84-F157 HydrophobicContact CE2-CD1 4.38Å; Y84-F157 AromaticContact CE2-CE1 3.46Å; Y84-F157 HydrophobicContact CE2-CE1 3.46Å; Y84-F157 VanDerWaalsContact CE2-CE1 3.46Å; Y84-F157 HydrophobicContact CE2-CZ 4.2Å; Y84-F157 AromaticContact CZ-CD1 3.85Å; Y84-F157 AromaticContact CZ-CE1 3.26Å; Y84-F157 WeakPolarHBondContact OH-CE1 3.39Å
85S94.9Very high92.1Very high0 Ų037.9 Ų37.90%019%0.191CC..Iπ-helixtrans-61.1-48.9172-169.80000110.5T17 L81 R87 L88 E89 Y100T17-S85 WeakPolarHBondContact CB-OG 3.47Å; T17-S85 WeakPolarHBondContact CG2-OG 3.25Å; T17-S85 WeakPolarHBondContact OG1-CB 3.38Å; T17-S85 PolarHBondContact OG1-O 2.99Å; T17-S85 PolarHBondContact OG1-OG 3.42Å; L81-S85 WeakPolarHBondContact O-CA 3.32Å; L81-S85 WeakPolarHBondContact O-CB 3.31Å; L81-S85 PolarHBondContact O-N 2.97Å; S85-R87 PolarHBondContact O-N 3.42Å; S85-L88 PolarHBondContact O-N 3.07Å; S85-E89 WeakPolarHBondContact O-CB 3.44Å; S85-E89 PolarHBondContact O-N 3.45Å; S85-Y100 PolarHBondContact OG-OH 3.27Å
86S94Very high91.7Very high13 Ų1333.9 Ų33.99%0.09117%0.168CC..Hα-helixtrans-63.7-42179.6-58.60000112T17 Y82 L88 E89 N90T17-S86 WeakPolarHBondContact CG2-OG 3.3Å; Y82-S86 WeakPolarHBondContact O-CB 3.37Å; Y82-S86 PolarHBondContact O-N 3.36Å; Y82-S86 VanDerWaalsContact O-N 3.09Å; Y82-S86 PolarHBondContact O-OG 3.34Å; S86-L88 VanDerWaalsContact C-N 3.29Å; S86-L88 PolarHBondContact O-N 3.47Å; S86-E89 PolarHBondContact O-N 3Å; S86-N90 VanDerWaalsContact O-CB 3.27Å; S86-N90 WeakPolarHBondContact O-CB 3.47Å; S86-N90 PolarHBondContact O-N 2.95Å
87R94Very high91.6Very high111 Ų11134 Ų3442%0.41917%0.17SC..Hα-helixtrans-65.1-33.6177.2-72.9168.6-165.3-141.1-0.3112.5S83 Y84 S85 G91S83-R87 WeakPolarHBondContact O-CB 3.46Å; S83-R87 VanDerWaalsContact O-CD 3.31Å; S83-R87 WeakPolarHBondContact O-CD 3.29Å; S83-R87 WeakPolarHBondContact O-CG 3.15Å; S83-R87 PolarHBondContact O-N 3.39Å; S83-R87 VanDerWaalsContact O-N 3.1Å; S83-R87 PolarHBondContact OG-NE 3.41Å; S83-R87 PolarHBondContact OG-NH2 2.99Å; Y84-R87 PolarHBondContact O-N 3.14Å; S85-R87 PolarHBondContact O-N 3.42Å; R87-G91 VanDerWaalsContact O-CA 3.32Å; R87-G91 WeakPolarHBondContact O-CA 3.39Å; R87-G91 PolarHBondContact O-N 3.31Å
88L93.2Very high91.4Very high2 Ų233.5 Ų33.51%0.0117%0.167CC..Hα-helixtrans-74.6-45.4178.2-167.459.3000111Y84 S85 S86 G91 M92 F93 Y100 M103 V131 I134 W135 L138Y84-L88 VanDerWaalsContact O-CB 3.25Å; Y84-L88 WeakPolarHBondContact O-CB 3.25Å; Y84-L88 PolarHBondContact O-N 3.36Å; S85-L88 PolarHBondContact O-N 3.07Å; S86-L88 VanDerWaalsContact C-N 3.29Å; S86-L88 PolarHBondContact O-N 3.47Å; L88-G91 PolarHBondContact O-N 3.49Å; L88-M92 HydrophobicContact CD1-CB 4.47Å; L88-M92 PolarHBondContact O-N 2.66Å; L88-F93 HydrophobicContact CD1-CD2 4.26Å; L88-F93 HydrophobicContact CD1-CE2 3.95Å; L88-F93 HydrophobicContact CD2-CE2 4.26Å; L88-F93 HydrophobicContact CG-CD2 3.93Å; L88-F93 HydrophobicContact CG-CE2 3.78Å; L88-F93 WeakPolarHBondContact O-CD2 3.12Å; L88-F93 PolarHBondContact O-N 3.4Å; L88-Y100 HydrophobicContact CB-CE2 4.24Å; L88-Y100 HydrophobicContact CD2-CE2 4.1Å; L88-Y100 HydrophobicContact CG-CE2 4.1Å; L88-M103 HydrophobicContact CD2-CE 3.97Å; L88-M103 HydrophobicContact CD2-SD 3.59Å; L88-M103 VanDerWaalsContact CD2-SD 3.59Å; L88-V131 HydrophobicContact CD2-CG1 3.96Å; L88-I134 HydrophobicContact CD1-CG2 4.17Å; L88-I134 HydrophobicContact CD2-CB 4.28Å; L88-I134 HydrophobicContact CD2-CG2 3.95Å; L88-W135 HydrophobicContact CD1-CB 4.4Å; L88-L138 HydrophobicContact CD1-CD1 3.63Å
89E93.2Very high91.1Very high6 Ų632.5 Ų32.53%0.02816%0.162CC..Hα-helixtrans-65.8-41.9178.4-165.6172.3169.200112.3P14 P15 V16 T17 S85 S86 F93 L94 Y100P14-E89 HydrophobicContact CB-CB 3.88Å; P14-E89 HydrophobicContact CB-CG 3.61Å; P14-E89 WeakPolarHBondContact CB-OE1 3.32Å; P14-E89 WeakPolarHBondContact CB-OE2 3.4Å; P14-E89 HydrophobicContact CG-CB 4.28Å; P14-E89 HydrophobicContact CG-CG 4.47Å; P15-E89 WeakPolarHBondContact CD-OE1 3.43Å; P15-E89 WeakPolarHBondContact CG-OE1 3.38Å; V16-E89 PolarHBondContact N-OE1 3.15Å; T17-E89 WeakPolarHBondContact CB-OE2 2.8Å; T17-E89 PolarHBondContact N-OE2 2.91Å; T17-E89 PolarHBondContact OG1-OE2 3.09Å; S85-E89 WeakPolarHBondContact O-CB 3.44Å; S85-E89 PolarHBondContact O-N 3.45Å; S86-E89 PolarHBondContact O-N 3Å; E89-F93 CarbonylContact O-C 3.46Å; E89-L94 PolarHBondContact O-N 3.42Å; E89-Y100 HydrophobicContact CB-CD1 4.24Å; E89-Y100 HydrophobicContact CB-CD2 4.31Å; E89-Y100 HydrophobicContact CB-CE1 4.17Å; E89-Y100 HydrophobicContact CB-CE2 4.23Å; E89-Y100 HydrophobicContact CB-CG 4.32Å; E89-Y100 HydrophobicContact CG-CD1 3.84Å; E89-Y100 HydrophobicContact CG-CE1 4.14Å; E89-Y100 HydrophobicContact CG-CG 4.1Å
90N91.2Very high91Very high82 Ų8226.4 Ų26.444%0.43914%0.138SC..Hα-helixtrans-83.1-13.3175.8-76-28.2000114.5P14 S86P14-N90 VanDerWaalsContact CG-CG 3.45Å; P14-N90 WeakPolarHBondContact CG-ND2 3.24Å; P14-N90 WeakPolarHBondContact CG-OD1 3.2Å; S86-N90 VanDerWaalsContact O-CB 3.27Å; S86-N90 WeakPolarHBondContact O-CB 3.47Å; S86-N90 PolarHBondContact O-N 2.95Å
91G89.8Confident90.9Very high47 Ų4726.7 Ų26.749%0.48514%0.141SC..THydrogen-bonded Turntrans-93.5-93.4-178.400000110.7R87 L88 F93R87-G91 VanDerWaalsContact O-CA 3.32Å; R87-G91 WeakPolarHBondContact O-CA 3.39Å; R87-G91 PolarHBondContact O-N 3.31Å; L88-G91 PolarHBondContact O-N 3.49Å; G91-F93 VanDerWaalsContact C-N 3.35Å; G91-F93 PolarHBondContact O-N 3.11Å
92M85.4Confident90.8Very high39 Ų3927.9 Ų27.919%0.19215%0.146CC..THydrogen-bonded Turntrans-65-37.2-176.2169.5167.8-78.800113.3L88 L138 F190 P226L88-M92 HydrophobicContact CD1-CB 4.47Å; L88-M92 PolarHBondContact O-N 2.66Å; M92-L138 HydrophobicContact CB-CD1 4.41Å; M92-L138 HydrophobicContact CE-CD1 3.48Å; M92-L138 VanDerWaalsContact CE-CD1 3.48Å; M92-L138 HydrophobicContact CE-CD2 3.23Å; M92-L138 HydrophobicContact CE-CG 3.88Å; M92-L138 HydrophobicContact SD-CD1 3.39Å; M92-L138 WeakPolarHBondContact SD-CD1 3.47Å; M92-L138 HydrophobicContact SD-CD2 4.12Å; M92-L138 HydrophobicContact SD-CG 4.36Å; M92-F190 HydrophobicContact CE-CD1 4.37Å; M92-F190 HydrophobicContact CE-CE1 3.44Å; M92-F190 VanDerWaalsContact CE-CE1 3.44Å; M92-F190 HydrophobicContact CE-CZ 3.67Å; M92-F190 HydrophobicContact SD-CE1 3.58Å; M92-F190 VanDerWaalsContact SD-CE1 3.58Å; M92-F190 HydrophobicContact SD-CE2 4.3Å; M92-F190 HydrophobicContact SD-CZ 3.23Å; M92-F190 WeakPolarHBondContact SD-CZ 3.33Å; M92-P226 HydrophobicContact CE-CG 4.32Å
93F86.3Confident90.7Very high9 Ų924 Ų244%0.03913%0.131CC..THydrogen-bonded Turntrans-100.318.2-173.2-58.6-77.2000113.2L88 E89 G91 G95 R96 D99 Y100 M103L88-F93 HydrophobicContact CD1-CD2 4.26Å; L88-F93 HydrophobicContact CD1-CE2 3.95Å; L88-F93 HydrophobicContact CD2-CE2 4.26Å; L88-F93 HydrophobicContact CG-CD2 3.93Å; L88-F93 HydrophobicContact CG-CE2 3.78Å; L88-F93 WeakPolarHBondContact O-CD2 3.12Å; L88-F93 PolarHBondContact O-N 3.4Å; E89-F93 CarbonylContact O-C 3.46Å; G91-F93 VanDerWaalsContact C-N 3.35Å; G91-F93 PolarHBondContact O-N 3.11Å; F93-G95 PolarHBondContact O-N 3.27Å; F93-R96 CarbonylContact O-C 3.19Å; F93-R96 WeakPolarHBondContact O-CA 3.5Å; F93-R96 PolarHBondContact O-N 3.24Å; F93-D99 HydrophobicContact CD1-CB 3.64Å; F93-D99 HydrophobicContact CE1-CB 3.85Å; F93-Y100 HydrophobicContact CB-CD2 4.29Å; F93-Y100 HydrophobicContact CB-CG 4.4Å; F93-Y100 AromaticContact CD2-CD2 3.51Å; F93-Y100 HydrophobicContact CD2-CD2 3.51Å; F93-Y100 HydrophobicContact CD2-CE2 4.37Å; F93-Y100 HydrophobicContact CD2-CG 4.35Å; F93-Y100 AromaticContact CE2-CD2 3.97Å; F93-Y100 HydrophobicContact CE2-CD2 3.97Å; F93-Y100 AromaticContact CG-CD2 4Å; F93-Y100 HydrophobicContact CG-CD2 4Å; F93-Y100 HydrophobicContact CG-CG 4.41Å; F93-M103 HydrophobicContact CE2-SD 3.91Å; F93-M103 HydrophobicContact CZ-CB 4.3Å; F93-M103 HydrophobicContact CZ-SD 4.13Å
94L87.1Confident90.7Very high79 Ų7924.8 Ų24.841%0.41413%0.133SC..THydrogen-bonded Turntrans-57.6123.5-179.8-171.966.4000110.4E89 R96 I218E89-L94 PolarHBondContact O-N 3.42Å; L94-R96 PolarHBondContact O-N 2.88Å; L94-I218 HydrophobicContact CB-CD1 4.46Å; L94-I218 HydrophobicContact CD2-CD1 4.08Å; L94-I218 HydrophobicContact CG-CD1 3.87Å; L94-I218 WeakPolarHBondContact O-CG2 3.33Å
95G81.1Confident90.7Very high7 Ų727.8 Ų27.87%0.07215%0.149CC..THydrogen-bonded Turntrans711.7-176.700000115.4F93 N214 Q215F93-G95 PolarHBondContact O-N 3.27Å; G95-N214 WeakPolarHBondContact O-CA 3.16Å; G95-Q215 PolarHBondContact O-N 3.34Å
96R85.8Confident90.6Very high22 Ų2229.8 Ų29.88%0.08316%0.158CC..  trans-123.352.4-177.8-62.6174.863.6178.16.3110.9F93 L94 A98 D99 Y100 T220 G221 F222F93-R96 CarbonylContact O-C 3.19Å; F93-R96 WeakPolarHBondContact O-CA 3.5Å; F93-R96 PolarHBondContact O-N 3.24Å; L94-R96 PolarHBondContact O-N 2.88Å; R96-A98 PolarHBondContact O-N 3.46Å; R96-A98 VanDerWaalsContact O-N 3.15Å; R96-D99 HydrophobicContact CB-CB 4.39Å; R96-D99 IonicContact CZ-OD2 2.66Å; R96-D99 IonicContact NE-OD2 2.63Å; R96-D99 PolarHBondContact NE-OD2 3.18Å; R96-D99 IonicContact NH2-OD2 2.78Å; R96-D99 PolarHBondContact NH2-OD2 3.33Å; R96-D99 WeakPolarHBondContact O-CB 3.19Å; R96-D99 PolarHBondContact O-N 3.41Å; R96-Y100 PolarHBondContact O-N 3.42Å; R96-T220 PolarHBondContact NH1-O 3.33Å; R96-T220 PolarHBondContact NH1-OG1 3.07Å; R96-T220 VanDerWaalsContact NH1-OG1 3.11Å; R96-G221 PolarHBondContact NH1-O 3.17Å; R96-F222 VanDerWaalsContact NH2-CA 3.26Å; R96-F222 VanDerWaalsContact NH2-CD2 3.33Å
97T89.8Confident90.7Very high23 Ų2329.1 Ų29.114%0.14115%0.153CC..Hα-helixtrans-56.5-33.5-176.8-52.70000112.6V16 D99 Y100 V101 F212V16-T97 HydrophobicContact CG2-CG2 3.66Å; T97-D99 VanDerWaalsContact C-N 3.28Å; T97-D99 PolarHBondContact O-N 3.14Å; T97-Y100 PolarHBondContact O-N 2.85Å; T97-V101 HydrophobicContact CG2-CG2 4.24Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 3.33Å; T97-F212 HydrophobicContact CG2-CB 4.36Å; T97-F212 HydrophobicContact CG2-CD1 3.98Å; T97-F212 HydrophobicContact CG2-CG 4.13Å
98A89.5Confident90.7Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-57.2-39.7175.400000113R96 F102 T204 L208 Y209 F212R96-A98 PolarHBondContact O-N 3.46Å; R96-A98 VanDerWaalsContact O-N 3.15Å; A98-F102 WeakPolarHBondContact O-CB 3.44Å; A98-F102 PolarHBondContact O-N 3.32Å; A98-T204 HydrophobicContact CB-CG2 4.06Å; A98-L208 HydrophobicContact CB-CB 3.96Å; A98-Y209 HydrophobicContact CB-CD1 3.44Å; A98-Y209 VanDerWaalsContact CB-CD1 3.44Å; A98-Y209 HydrophobicContact CB-CE1 3.63Å; A98-Y209 HydrophobicContact CB-CG 4.15Å; A98-F212 HydrophobicContact CB-CB 4.24Å
99D89.3Confident90.8Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-73.1-36-179.8-62.7-28.7000111.4F93 R96 T97 F102 M103 T204 Y209 F222F93-D99 HydrophobicContact CD1-CB 3.64Å; F93-D99 HydrophobicContact CE1-CB 3.85Å; R96-D99 HydrophobicContact CB-CB 4.39Å; R96-D99 IonicContact CZ-OD2 2.66Å; R96-D99 IonicContact NE-OD2 2.63Å; R96-D99 PolarHBondContact NE-OD2 3.18Å; R96-D99 IonicContact NH2-OD2 2.78Å; R96-D99 PolarHBondContact NH2-OD2 3.33Å; R96-D99 WeakPolarHBondContact O-CB 3.19Å; R96-D99 PolarHBondContact O-N 3.41Å; T97-D99 VanDerWaalsContact C-N 3.28Å; T97-D99 PolarHBondContact O-N 3.14Å; D99-F102 PolarHBondContact O-N 2.77Å; D99-M103 PolarHBondContact O-N 3.15Å; D99-T204 WeakPolarHBondContact OD1-CB 3.38Å; D99-T204 PolarHBondContact OD1-OG1 3.29Å; D99-Y209 PolarHBondContact OD1-OH 3.32Å; D99-F222 HydrophobicContact CB-CD2 4.33Å; D99-F222 HydrophobicContact CB-CE2 4.09Å
100Y92.9Very high90.9Very high0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-65.2-45.3173.1-173.1-109.3000112V16 S85 L88 E89 F93 R96 T97 F102 M103 F104V16-Y100 HydrophobicContact CB-CD1 3.69Å; V16-Y100 HydrophobicContact CB-CE1 3.66Å; V16-Y100 HydrophobicContact CG1-CD1 3.76Å; V16-Y100 HydrophobicContact CG1-CE1 3.53Å; V16-Y100 HydrophobicContact CG2-CD1 4Å; V16-Y100 HydrophobicContact CG2-CE1 4.47Å; S85-Y100 PolarHBondContact OG-OH 3.27Å; L88-Y100 HydrophobicContact CB-CE2 4.24Å; L88-Y100 HydrophobicContact CD2-CE2 4.1Å; L88-Y100 HydrophobicContact CG-CE2 4.1Å; E89-Y100 HydrophobicContact CB-CD1 4.24Å; E89-Y100 HydrophobicContact CB-CD2 4.31Å; E89-Y100 HydrophobicContact CB-CE1 4.17Å; E89-Y100 HydrophobicContact CB-CE2 4.23Å; E89-Y100 HydrophobicContact CB-CG 4.32Å; E89-Y100 HydrophobicContact CG-CD1 3.84Å; E89-Y100 HydrophobicContact CG-CE1 4.14Å; E89-Y100 HydrophobicContact CG-CG 4.1Å; F93-Y100 HydrophobicContact CB-CD2 4.29Å; F93-Y100 HydrophobicContact CB-CG 4.4Å; F93-Y100 AromaticContact CD2-CD2 3.51Å; F93-Y100 HydrophobicContact CD2-CD2 3.51Å; F93-Y100 HydrophobicContact CD2-CE2 4.37Å; F93-Y100 HydrophobicContact CD2-CG 4.35Å; F93-Y100 AromaticContact CE2-CD2 3.97Å; F93-Y100 HydrophobicContact CE2-CD2 3.97Å; F93-Y100 AromaticContact CG-CD2 4Å; F93-Y100 HydrophobicContact CG-CD2 4Å; F93-Y100 HydrophobicContact CG-CG 4.41Å; R96-Y100 PolarHBondContact O-N 3.42Å; T97-Y100 PolarHBondContact O-N 2.85Å; Y100-F102 VanDerWaalsContact C-N 3.29Å; Y100-F102 PolarHBondContact O-N 3.26Å; Y100-M103 HydrophobicContact CD2-CE 4.05Å; Y100-M103 HydrophobicContact CE2-CE 3.62Å; Y100-M103 HydrophobicContact CE2-SD 4.43Å; Y100-M103 WeakPolarHBondContact O-CB 3.1Å; Y100-M103 PolarHBondContact O-N 2.92Å; Y100-F104 WeakPolarHBondContact O-CB 3.35Å; Y100-F104 PolarHBondContact O-N 3.42Å
101V93.1Very high91.1Very high19 Ų1927.5 Ų27.512%0.11515%0.151CC..Hα-helixtrans-61.8-40174.8172.60000110.5V16 T97 F104 L105 L208 F212V16-V101 HydrophobicContact CG2-CG2 3.66Å; T97-V101 HydrophobicContact CG2-CG2 4.24Å; T97-V101 WeakPolarHBondContact O-CG2 3.33Å; T97-V101 PolarHBondContact O-N 3.33Å; V101-F104 WeakPolarHBondContact O-CB 3.34Å; V101-F104 PolarHBondContact O-N 3.06Å; V101-L105 HydrophobicContact CG1-CD1 3.89Å; V101-L105 HydrophobicContact CG1-CG 4.21Å; V101-L105 WeakPolarHBondContact O-CB 3.3Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 3.4Å; V101-L105 PolarHBondContact O-N 2.97Å; V101-L208 HydrophobicContact CG1-CD1 4.48Å; V101-L208 HydrophobicContact CG1-CD2 3.79Å; V101-F212 HydrophobicContact CG1-CE2 4.35Å; V101-F212 HydrophobicContact CG2-CD2 4.14Å; V101-F212 HydrophobicContact CG2-CE2 3.87Å; V101-F212 HydrophobicContact CG2-CZ 4.37Å
102F92.1Very high91.2Very high28 Ų2826.2 Ų26.212%0.12313%0.133CC..Hα-helixtrans-65-45.1176.6179.2-114.3000112.6A98 D99 Y100 F104 L105 F106 L202 T204 P205 L208A98-F102 WeakPolarHBondContact O-CB 3.44Å; A98-F102 PolarHBondContact O-N 3.32Å; D99-F102 PolarHBondContact O-N 2.77Å; Y100-F102 VanDerWaalsContact C-N 3.29Å; Y100-F102 PolarHBondContact O-N 3.26Å; F102-F104 VanDerWaalsContact C-N 3.27Å; F102-F104 PolarHBondContact O-N 2.79Å; F102-L105 PolarHBondContact O-N 3.18Å; F102-F106 WeakPolarHBondContact O-CB 3.47Å; F102-F106 PolarHBondContact O-N 3.16Å; F102-L202 HydrophobicContact CE1-CB 3.86Å; F102-L202 HydrophobicContact CZ-CB 4.12Å; F102-L202 HydrophobicContact CZ-CD2 4.42Å; F102-T204 HydrophobicContact CB-CG2 4.03Å; F102-T204 HydrophobicContact CG-CG2 4.47Å; F102-P205 HydrophobicContact CD2-CG 4.17Å; F102-P205 HydrophobicContact CE2-CG 4.41Å; F102-L208 HydrophobicContact CB-CD1 3.67Å; F102-L208 HydrophobicContact CD2-CD1 4.2Å; F102-L208 HydrophobicContact CG-CD1 4.37Å
103M93.5Very high91.5Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-53.3-49.2171178.5-153.880.100110.6L88 F93 D99 Y100 L105 F106 T107 V131 I134 Y185L88-M103 HydrophobicContact CD2-CE 3.97Å; L88-M103 HydrophobicContact CD2-SD 3.59Å; L88-M103 VanDerWaalsContact CD2-SD 3.59Å; F93-M103 HydrophobicContact CE2-SD 3.91Å; F93-M103 HydrophobicContact CZ-CB 4.3Å; F93-M103 HydrophobicContact CZ-SD 4.13Å; D99-M103 PolarHBondContact O-N 3.15Å; Y100-M103 HydrophobicContact CD2-CE 4.05Å; Y100-M103 HydrophobicContact CE2-CE 3.62Å; Y100-M103 HydrophobicContact CE2-SD 4.43Å; Y100-M103 WeakPolarHBondContact O-CB 3.1Å; Y100-M103 PolarHBondContact O-N 2.92Å; M103-L105 PolarHBondContact O-N 2.89Å; M103-F106 PolarHBondContact O-N 3.38Å; M103-T107 HydrophobicContact CG-CG2 4.45Å; M103-T107 WeakPolarHBondContact O-CB 3.29Å; M103-T107 WeakPolarHBondContact O-CG2 3.1Å; M103-T107 PolarHBondContact O-N 3.39Å; M103-T107 PolarHBondContact O-OG1 3.18Å; M103-V131 HydrophobicContact CE-CG2 4.12Å; M103-I134 HydrophobicContact CG-CD1 4.02Å; M103-I134 HydrophobicContact SD-CD1 3.75Å; M103-I134 HydrophobicContact SD-CG2 4.29Å; M103-Y185 HydrophobicContact CB-CE1 4.14Å; M103-Y185 HydrophobicContact CB-CE2 3.78Å; M103-Y185 WeakPolarHBondContact CB-OH 3.45Å; M103-Y185 HydrophobicContact CG-CD1 3.91Å; M103-Y185 HydrophobicContact CG-CD2 4.14Å; M103-Y185 HydrophobicContact CG-CE1 3.51Å; M103-Y185 HydrophobicContact CG-CE2 3.74Å; M103-Y185 HydrophobicContact CG-CG 4.21Å; M103-Y185 VanDerWaalsContact CG-CZ 3.4Å; M103-Y185 HydrophobicContact SD-CE1 4.3Å
104F93.9Very high91.8Very high28 Ų2830.6 Ų30.612%0.12316%0.158CC..Hα-helixtrans-61.1-44.9-178.7-166.3-89.1000111.6W20 L61 Y100 V101 F102 T107 W108 M127W20-F104 AromaticContact CD2-CE2 3.67Å; W20-F104 HydrophobicContact CD2-CE2 3.67Å; W20-F104 AromaticContact CD2-CZ 3.88Å; W20-F104 HydrophobicContact CD2-CZ 3.88Å; W20-F104 AromaticContact CE3-CE2 3.62Å; W20-F104 HydrophobicContact CE3-CE2 3.62Å; W20-F104 HydrophobicContact CE3-CZ 4.3Å; W20-F104 HydrophobicContact CG-CE2 4.2Å; W20-F104 HydrophobicContact CG-CZ 4.01Å; W20-F104 HydrophobicContact CH2-CE2 4.25Å; W20-F104 HydrophobicContact CZ2-CE2 4.33Å; W20-F104 AromaticContact CZ3-CE2 3.92Å; W20-F104 HydrophobicContact CZ3-CE2 3.92Å; L61-F104 HydrophobicContact CD2-CE1 3.56Å; L61-F104 HydrophobicContact CD2-CZ 3.7Å; Y100-F104 WeakPolarHBondContact O-CB 3.35Å; Y100-F104 PolarHBondContact O-N 3.42Å; V101-F104 WeakPolarHBondContact O-CB 3.34Å; V101-F104 PolarHBondContact O-N 3.06Å; F102-F104 VanDerWaalsContact C-N 3.27Å; F102-F104 PolarHBondContact O-N 2.79Å; F104-T107 PolarHBondContact O-OG1 3.08Å; F104-T107 VanDerWaalsContact O-OG1 3.12Å; F104-W108 WeakPolarHBondContact O-CB 3.48Å; F104-W108 PolarHBondContact O-N 3.5Å; F104-M127 HydrophobicContact CB-CE 4.33Å; F104-M127 HydrophobicContact CD1-CE 3.95Å; F104-M127 HydrophobicContact CD2-CE 3.2Å; F104-M127 HydrophobicContact CE1-CE 4.02Å; F104-M127 HydrophobicContact CE2-CE 3.26Å; F104-M127 HydrophobicContact CE2-CG 4.49Å; F104-M127 HydrophobicContact CG-CE 3.56Å; F104-M127 HydrophobicContact CZ-CE 3.69Å
105L93.8Very high92Very high68 Ų6827 Ų2736%0.35614%0.139SC..Hα-helixtrans-66.3-43.1177.4-72.9174000112.5V101 F102 M103 W108 L109 L208V101-L105 HydrophobicContact CG1-CD1 3.89Å; V101-L105 HydrophobicContact CG1-CG 4.21Å; V101-L105 WeakPolarHBondContact O-CB 3.3Å; V101-L105 VanDerWaalsContact O-CG 3.26Å; V101-L105 WeakPolarHBondContact O-CG 3.4Å; V101-L105 PolarHBondContact O-N 2.97Å; F102-L105 PolarHBondContact O-N 3.18Å; M103-L105 PolarHBondContact O-N 2.89Å; L105-W108 HydrophobicContact CD2-CE3 4.33Å; L105-L109 VanDerWaalsContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 PolarHBondContact O-N 2.97Å; L105-L208 HydrophobicContact CD1-CD1 4.41Å; L105-L208 HydrophobicContact CD1-CD2 4.38Å
106F94.2Very high92.3Very high42 Ų4231.2 Ų31.218%0.18416%0.156CC..Hα-helixtrans-63.1-49.3178.6177.4-87.8000111.1F102 M103 L109 A110 L184 Y185 F188 L202F102-F106 WeakPolarHBondContact O-CB 3.47Å; F102-F106 PolarHBondContact O-N 3.16Å; M103-F106 PolarHBondContact O-N 3.38Å; F106-L109 PolarHBondContact O-N 3.21Å; F106-A110 WeakPolarHBondContact O-CB 3.21Å; F106-A110 PolarHBondContact O-N 2.87Å; F106-L184 HydrophobicContact CE1-CD2 4.44Å; F106-L184 HydrophobicContact CZ-CD2 4.46Å; F106-Y185 HydrophobicContact CB-CD2 4.4Å; F106-Y185 AromaticContact CD1-CD2 3.58Å; F106-Y185 HydrophobicContact CD1-CD2 3.58Å; F106-Y185 HydrophobicContact CD1-CG 4.34Å; F106-Y185 HydrophobicContact CE1-CD2 4.15Å; F106-Y185 HydrophobicContact CG-CD2 4.17Å; F106-F188 HydrophobicContact CZ-CD2 4.25Å; F106-L202 HydrophobicContact CD1-CD1 4.49Å; F106-L202 HydrophobicContact CD2-CD1 3.93Å; F106-L202 HydrophobicContact CD2-CD2 4.04Å; F106-L202 HydrophobicContact CE1-CD1 4.17Å; F106-L202 HydrophobicContact CE2-CD1 3.58Å; F106-L202 HydrophobicContact CE2-CD2 3.72Å; F106-L202 HydrophobicContact CE2-CG 4.32Å; F106-L202 HydrophobicContact CG-CD1 4.37Å; F106-L202 HydrophobicContact CZ-CD1 3.71Å
107T95.6Very high92.5Very high0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-66.3-40.4179.949.80000111.6M103 F104 A110 L111 M127 T130 I134 V181 Y185M103-T107 HydrophobicContact CG-CG2 4.45Å; M103-T107 WeakPolarHBondContact O-CB 3.29Å; M103-T107 WeakPolarHBondContact O-CG2 3.1Å; M103-T107 PolarHBondContact O-N 3.39Å; M103-T107 PolarHBondContact O-OG1 3.18Å; F104-T107 PolarHBondContact O-OG1 3.08Å; F104-T107 VanDerWaalsContact O-OG1 3.12Å; T107-A110 PolarHBondContact O-N 3.41Å; T107-L111 WeakPolarHBondContact O-CB 3.33Å; T107-L111 WeakPolarHBondContact O-CG 3.49Å; T107-L111 PolarHBondContact O-N 3.04Å; T107-M127 WeakPolarHBondContact OG1-CE 3.3Å; T107-T130 HydrophobicContact CG2-CG2 3.5Å; T107-I134 HydrophobicContact CG2-CD1 4.1Å; T107-V181 HydrophobicContact CG2-CG1 4.32Å; T107-Y185 HydrophobicContact CG2-CD2 4.32Å; T107-Y185 HydrophobicContact CG2-CG 4.11Å
108W95Very high92.3Very high53 Ų5337.7 Ų37.720%0.20120%0.197CC..Hα-helixtrans-60.1-48.3171.8172.666.7000112P57 I58 L61 F104 L105 A110 L111 V112 M127P57-W108 HydrophobicContact CB-CZ2 3.86Å; P57-W108 PolarHBondContact O-NE1 3.3Å; I58-W108 HydrophobicContact CG1-CH2 4.01Å; I58-W108 HydrophobicContact CG1-CZ2 3.62Å; L61-W108 HydrophobicContact CD2-CG 4.15Å; F104-W108 WeakPolarHBondContact O-CB 3.48Å; F104-W108 PolarHBondContact O-N 3.5Å; L105-W108 HydrophobicContact CD2-CE3 4.33Å; W108-A110 VanDerWaalsContact C-N 3.35Å; W108-A110 PolarHBondContact O-N 3.15Å; W108-L111 WeakPolarHBondContact O-CB 3.4Å; W108-L111 PolarHBondContact O-N 3.43Å; W108-L111 VanDerWaalsContact O-N 3.15Å; W108-V112 HydrophobicContact CD2-CG2 4.38Å; W108-V112 HydrophobicContact CZ2-CG2 4.41Å; W108-V112 WeakPolarHBondContact O-CG2 3.39Å; W108-V112 PolarHBondContact O-N 2.92Å; W108-M127 HydrophobicContact CB-CE 4.47Å
109L94.5Very high92.1Very high98 Ų9841 Ų4151%0.51322%0.221SC..Hα-helixtrans-61.5-42.8178.6-178.463.5000111.9L105 F106 L111 V112 I113L105-L109 VanDerWaalsContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 PolarHBondContact O-N 2.97Å; F106-L109 PolarHBondContact O-N 3.21Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 3.46Å; L109-V112 WeakPolarHBondContact O-CB 3.44Å; L109-V112 PolarHBondContact O-N 3.03Å; L109-I113 HydrophobicContact CG-CD1 4.39Å; L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.34Å
110A94.9Very high91.8Very high13 Ų1343 Ų4311%0.10723%0.229CC..Hα-helixtrans-60.6-42.2174.600000111.5F106 T107 W108 I113 V114 V181 L184F106-A110 WeakPolarHBondContact O-CB 3.21Å; F106-A110 PolarHBondContact O-N 2.87Å; T107-A110 PolarHBondContact O-N 3.41Å; W108-A110 VanDerWaalsContact C-N 3.35Å; W108-A110 PolarHBondContact O-N 3.15Å; A110-I113 PolarHBondContact O-N 2.99Å; A110-V114 WeakPolarHBondContact O-CG2 3.41Å; A110-V114 PolarHBondContact O-N 2.66Å; A110-V181 HydrophobicContact CB-CG1 3.72Å; A110-V181 HydrophobicContact CB-CG2 4.39Å; A110-L184 HydrophobicContact CB-CD2 4.46Å
111L95.2Very high91.5Very high3 Ų349.1 Ų49.12%0.01625%0.254CS..Hα-helixtrans-64.3-38.1174.4-75.3172.3000112.8T107 W108 L109 I113 V114 S115 L123 P126 M127 V177 V181T107-L111 WeakPolarHBondContact O-CB 3.33Å; T107-L111 WeakPolarHBondContact O-CG 3.49Å; T107-L111 PolarHBondContact O-N 3.04Å; W108-L111 WeakPolarHBondContact O-CB 3.4Å; W108-L111 PolarHBondContact O-N 3.43Å; W108-L111 VanDerWaalsContact O-N 3.15Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 3.46Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 2.63Å; L111-V114 PolarHBondContact O-N 3.14Å; L111-S115 WeakPolarHBondContact O-CB 3.48Å; L111-S115 PolarHBondContact O-N 3.13Å; L111-L123 HydrophobicContact CB-CD2 3.94Å; L111-L123 HydrophobicContact CB-CG 4.44Å; L111-P126 HydrophobicContact CD1-CB 4.37Å; L111-P126 HydrophobicContact CD1-CG 4.43Å; L111-P126 HydrophobicContact CD2-CB 3.66Å; L111-P126 HydrophobicContact CD2-CG 4.05Å; L111-M127 HydrophobicContact CD1-CB 3.79Å; L111-M127 HydrophobicContact CD1-CG 4.41Å; L111-M127 HydrophobicContact CD1-SD 3.71Å; L111-V177 HydrophobicContact CD2-CG1 3.63Å; L111-V181 HydrophobicContact CD2-CB 4.14Å; L111-V181 HydrophobicContact CD2-CG1 4.45Å; L111-V181 HydrophobicContact CD2-CG2 3.73Å; L111-V181 HydrophobicContact CG-CB 4.38Å; L111-V181 HydrophobicContact CG-CG1 4.14Å; L111-V181 HydrophobicContact CG-CG2 4.19Å
112V92.2Very high91.4Very high20 Ų2049.2 Ų49.212%0.12125%0.254CS..Hα-helixtrans-60.7-44.5174.4172.90000110.4W45 P57 W108 L109 S115 F116 L123W45-V112 HydrophobicContact CH2-CG1 3.7Å; W45-V112 VanDerWaalsContact CH2-O 3.26Å; W45-V112 WeakPolarHBondContact CH2-O 3.16Å; W45-V112 HydrophobicContact CZ2-CG1 4.5Å; W45-V112 WeakPolarHBondContact CZ2-O 3.48Å; P57-V112 HydrophobicContact CB-CG1 4.29Å; P57-V112 HydrophobicContact CB-CG2 3.64Å; P57-V112 HydrophobicContact CG-CG1 4.46Å; W108-V112 HydrophobicContact CD2-CG2 4.38Å; W108-V112 HydrophobicContact CZ2-CG2 4.41Å; W108-V112 WeakPolarHBondContact O-CG2 3.39Å; W108-V112 PolarHBondContact O-N 2.92Å; L109-V112 WeakPolarHBondContact O-CB 3.44Å; L109-V112 PolarHBondContact O-N 3.03Å; V112-S115 PolarHBondContact O-N 3.01Å; V112-F116 PolarHBondContact O-N 3.44Å; V112-L123 HydrophobicContact CG2-CD2 3.63Å
113I91.9Very high91.4Very high96 Ų9648 Ų4849%0.49225%0.249SC..Hα-helixtrans-64.4-46.8176.7-64165.5000111.1L109 A110 L111 S115 F116 L117L109-I113 HydrophobicContact CG-CD1 4.39Å; L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.34Å; A110-I113 PolarHBondContact O-N 2.99Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 2.63Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 3.36Å; I113-F116 WeakPolarHBondContact O-CB 3.36Å; I113-F116 PolarHBondContact O-N 2.85Å; I113-F116 VanDerWaalsContact O-N 3.13Å; I113-L117 HydrophobicContact CG2-CD1 4.47Å; I113-L117 PolarHBondContact O-N 3.44Å
114V92.4Very high91.5Very high43 Ų4348 Ų4826%0.26125%0.249SC..Hα-helixtrans-63-39.7177.8173.70000110.9A110 L111 F116 L117 A118 F120 V177 V181A110-V114 WeakPolarHBondContact O-CG2 3.41Å; A110-V114 PolarHBondContact O-N 2.66Å; L111-V114 PolarHBondContact O-N 3.14Å; V114-F116 PolarHBondContact O-N 2.92Å; V114-L117 PolarHBondContact O-N 3.02Å; V114-A118 WeakPolarHBondContact O-CB 3.49Å; V114-A118 PolarHBondContact O-N 2.89Å; V114-F120 HydrophobicContact CG1-CE2 4.34Å; V114-V177 HydrophobicContact CB-CG1 4.46Å; V114-V177 HydrophobicContact CG1-CG1 3.7Å; V114-V177 HydrophobicContact CG1-CG2 4.22Å; V114-V181 HydrophobicContact CG2-CG2 4.19Å
115S90.7Very high91.5Very high3 Ų347.3 Ų47.32%0.02125%0.246CC..Hα-helixtrans-63.9-27.9176.8-168.50000112.4L43 W45 L111 V112 I113 S119 F120L43-S115 WeakPolarHBondContact CD2-OG 3.09Å; W45-S115 PolarHBondContact NE1-O 2.77Å; L111-S115 WeakPolarHBondContact O-CB 3.48Å; L111-S115 PolarHBondContact O-N 3.13Å; V112-S115 PolarHBondContact O-N 3.01Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 3.36Å; S115-S119 WeakPolarHBondContact O-CA 3.36Å; S115-S119 PolarHBondContact O-N 3.21Å; S115-F120 PolarHBondContact O-N 3.35Å; S115-F120 WeakPolarHBondContact OG-CB 3.48Å; S115-F120 PolarHBondContact OG-O 3.42Å
116F88Confident91.5Very high96 Ų9644.2 Ų44.242%0.42123%0.23SC..Hα-helixtrans-68.7-46.2172.9179-123.2000111.2W45 Y49 V112 I113 V114W45-F116 HydrophobicContact CD2-CB 4.22Å; W45-F116 AromaticContact CD2-CD2 3.6Å; W45-F116 HydrophobicContact CD2-CD2 3.6Å; W45-F116 HydrophobicContact CD2-CG 4.37Å; W45-F116 AromaticContact CE2-CD2 4Å; W45-F116 HydrophobicContact CE3-CB 4.3Å; W45-F116 AromaticContact CE3-CD2 3.58Å; W45-F116 HydrophobicContact CE3-CD2 3.58Å; W45-F116 HydrophobicContact CE3-CE2 4.38Å; W45-F116 HydrophobicContact CE3-CG 4.28Å; W45-F116 HydrophobicContact CG-CD2 4.02Å; W45-F116 HydrophobicContact CH2-CB 3.54Å; W45-F116 HydrophobicContact CH2-CD2 4.36Å; W45-F116 HydrophobicContact CH2-CG 4.28Å; W45-F116 HydrophobicContact CZ2-CB 3.42Å; W45-F116 VanDerWaalsContact CZ2-CB 3.42Å; W45-F116 HydrophobicContact CZ2-CD2 4.38Å; W45-F116 HydrophobicContact CZ2-CG 4.36Å; W45-F116 HydrophobicContact CZ3-CB 3.96Å; W45-F116 AromaticContact CZ3-CD2 3.96Å; W45-F116 HydrophobicContact CZ3-CD2 3.96Å; W45-F116 HydrophobicContact CZ3-CG 4.21Å; Y49-F116 HydrophobicContact CE2-CD2 4.02Å; Y49-F116 AromaticContact CE2-CE2 3.47Å; Y49-F116 HydrophobicContact CE2-CE2 3.47Å; Y49-F116 VanDerWaalsContact CE2-CE2 3.47Å; Y49-F116 HydrophobicContact CE2-CZ 4.26Å; Y49-F116 AromaticContact CZ-CE2 3.59Å; Y49-F116 WeakPolarHBondContact OH-CD2 3.36Å; Y49-F116 WeakPolarHBondContact OH-CE2 3.41Å; Y49-F116 WeakPolarHBondContact OH-CZ 3.27Å; V112-F116 PolarHBondContact O-N 3.44Å; I113-F116 WeakPolarHBondContact O-CB 3.36Å; I113-F116 PolarHBondContact O-N 2.85Å; I113-F116 VanDerWaalsContact O-N 3.13Å; V114-F116 PolarHBondContact O-N 2.92Å
117L89.2Confident91.6Very high133 Ų13342.2 Ų42.270%0.69622%0.221SC*.Hα-helixtrans-72-39.3-178-61.5173.7000112.4I113 V114I113-L117 HydrophobicContact CG2-CD1 4.47Å; I113-L117 PolarHBondContact O-N 3.44Å; V114-L117 PolarHBondContact O-N 3.02Å
118A86.1Confident91.7Very high48 Ų4842.3 Ų42.340%0.39722%0.222SC..Hα-helixtrans-97.91-175.100000114.2V114 F120V114-A118 WeakPolarHBondContact O-CB 3.49Å; V114-A118 PolarHBondContact O-N 2.89Å; A118-F120 VanDerWaalsContact C-N 3.34Å; A118-F120 HydrophobicContact CB-CD2 3.72Å; A118-F120 HydrophobicContact CB-CE1 4.31Å; A118-F120 HydrophobicContact CB-CE2 3.21Å; A118-F120 HydrophobicContact CB-CG 4.42Å; A118-F120 HydrophobicContact CB-CZ 3.57Å; A118-F120 PolarHBondContact O-N 3.16Å
119S84.8Confident91.8Very high70 Ų7040.2 Ų40.249%0.4921%0.214SC..THydrogen-bonded Turntrans56.239.2179.2-60.60000114.9S115S115-S119 WeakPolarHBondContact O-CA 3.36Å; S115-S119 PolarHBondContact O-N 3.21Å
120F84.5Confident91.9Very high41 Ų4135.5 Ų35.518%0.1819%0.19CC..  trans-77.7151.1172.6-56.8-55.5000111.9V114 S115 A118 M173 M174 V177V114-F120 HydrophobicContact CG1-CE2 4.34Å; S115-F120 PolarHBondContact O-N 3.35Å; S115-F120 WeakPolarHBondContact OG-CB 3.48Å; S115-F120 PolarHBondContact OG-O 3.42Å; A118-F120 VanDerWaalsContact C-N 3.34Å; A118-F120 HydrophobicContact CB-CD2 3.72Å; A118-F120 HydrophobicContact CB-CE1 4.31Å; A118-F120 HydrophobicContact CB-CE2 3.21Å; A118-F120 HydrophobicContact CB-CG 4.42Å; A118-F120 HydrophobicContact CB-CZ 3.57Å; A118-F120 PolarHBondContact O-N 3.16Å; F120-M173 HydrophobicContact CE1-CB 4.42Å; F120-M174 HydrophobicContact CB-CE 4.13Å; F120-M174 HydrophobicContact CB-SD 4.37Å; F120-M174 HydrophobicContact CD1-CE 4.32Å; F120-M174 HydrophobicContact CD1-SD 3.5Å; F120-M174 VanDerWaalsContact CD1-SD 3.5Å; F120-M174 HydrophobicContact CD2-SD 4.37Å; F120-M174 HydrophobicContact CE1-SD 3.78Å; F120-M174 HydrophobicContact CG-CE 4.22Å; F120-M174 HydrophobicContact CG-SD 3.83Å; F120-M174 HydrophobicContact CZ-SD 4.34Å; F120-V177 HydrophobicContact CE2-CB 4.42Å; F120-V177 HydrophobicContact CE2-CG1 4.41Å; F120-V177 HydrophobicContact CE2-CG2 3.48Å; F120-V177 VanDerWaalsContact CE2-CG2 3.48Å; F120-V177 HydrophobicContact CZ-CG2 3.79Å
121Y86.8Confident92Very high130 Ų13035 Ų3551%0.5119%0.185SC..SBendtrans-107.2-20.7-175.9-57.2-72.8000113.9I42 L43 L44I42-Y121 HydrophobicContact CD1-CD1 4.45Å; L43-Y121 WeakPolarHBondContact CB-O 3.48Å; L43-Y121 PolarHBondContact N-O 3.1Å; L43-Y121 WeakPolarHBondContact O-CD1 2.95Å; L44-Y121 HydrophobicContact CD2-CD1 3.93Å; L44-Y121 HydrophobicContact CD2-CE1 3.84Å
122V89.7Confident92.1Very high20 Ų2034.9 Ų34.912%0.12119%0.185CC..  trans-131.4128.2-173.91790000108.8I42 F63 Y64 P65 L124 M174I42-V122 HydrophobicContact CG2-CG2 4.37Å; F63-V122 WeakPolarHBondContact O-CG1 3.45Å; Y64-V122 HydrophobicContact CD2-CG1 4.44Å; P65-V122 HydrophobicContact CG-CG2 4.45Å; V122-L124 HydrophobicContact CG1-CB 4.23Å; V122-M174 WeakPolarHBondContact O-CE 3.5Å
123L92.9Very high92.3Very high2 Ų234.8 Ų34.81%0.0118%0.182CC..  trans-103.4-10.8-176.7-85.574.5000113.2L43 A60 L61 L111 V112 P126 M127L43-L123 HydrophobicContact CB-CD1 4.4Å; L43-L123 HydrophobicContact CD2-CD1 3.84Å; A60-L123 HydrophobicContact CB-CD1 3.94Å; A60-L123 PolarHBondContact O-N 2.87Å; L61-L123 HydrophobicContact CD1-CB 4.32Å; L111-L123 HydrophobicContact CB-CD2 3.94Å; L111-L123 HydrophobicContact CB-CG 4.44Å; V112-L123 HydrophobicContact CG2-CD2 3.63Å; L123-P126 VanDerWaalsContact O-CD 3.28Å; L123-P126 WeakPolarHBondContact O-CD 3.25Å; L123-P126 VanDerWaalsContact O-CG 3.31Å; L123-P126 WeakPolarHBondContact O-CG 3.49Å; L123-M127 VanDerWaalsContact O-CB 3.22Å; L123-M127 WeakPolarHBondContact O-CB 3.36Å; L123-M127 PolarHBondContact O-N 3.26Å
124L94.7Very high92.5Very high1 Ų130.2 Ų30.21%0.00516%0.159CC..Hα-helixtrans-58.2-52.3-178.8-178.270.8000112.5W20 T24 A60 L61 Y64 L81 V122 M127 V128W20-L124 HydrophobicContact CZ2-CD1 4.15Å; T24-L124 HydrophobicContact CG2-CD1 3.97Å; T24-L124 HydrophobicContact CG2-CD2 3.61Å; T24-L124 HydrophobicContact CG2-CG 4.48Å; T24-L124 WeakPolarHBondContact OG1-CD1 3.4Å; A60-L124 PolarHBondContact O-N 3.07Å; L61-L124 WeakPolarHBondContact O-CD1 3.02Å; Y64-L124 HydrophobicContact CD2-CD2 3.89Å; Y64-L124 HydrophobicContact CG-CD2 4.14Å; L81-L124 HydrophobicContact CD1-CD1 4.12Å; V122-L124 HydrophobicContact CG1-CB 4.23Å; L124-M127 PolarHBondContact O-N 3.34Å; L124-V128 HydrophobicContact CD1-CG2 4.13Å; L124-V128 HydrophobicContact CG-CG2 4.36Å; L124-V128 WeakPolarHBondContact O-CG2 3.24Å; L124-V128 PolarHBondContact O-N 3.43Å
125E93.5Very high92.7Very high13 Ų1328.7 Ų28.76%0.06115%0.149CC..Hα-helixtrans-55.1-56.1-178.8-61.3-172.9176.600112.5Y64 H73 M127 V128 L129 R169 M174Y64-E125 HydrophobicContact CD2-CG 4.33Å; Y64-E125 HydrophobicContact CE2-CG 3.6Å; Y64-E125 WeakPolarHBondContact CE2-OE1 3.34Å; Y64-E125 VanDerWaalsContact CZ-OE1 3.28Å; Y64-E125 PolarHBondContact OH-OE1 3.38Å; H73-E125 VanDerWaalsContact CE1-CD 3.43Å; H73-E125 IonicContact CE1-OE1 2.99Å; H73-E125 PolarHBondContact CE1-OE1 2.92Å; H73-E125 IonicContact CE1-OE2 3.91Å; H73-E125 IonicContact ND1-OE1 3.04Å; H73-E125 PolarHBondContact ND1-OE1 3.5Å; E125-M127 VanDerWaalsContact C-N 3.28Å; E125-M127 PolarHBondContact O-N 3.39Å; E125-V128 PolarHBondContact O-N 2.81Å; E125-L129 PolarHBondContact O-N 2.7Å; E125-L129 VanDerWaalsContact O-N 3.13Å; E125-R169 IonicContact OE1-CZ 3.83Å; E125-R169 IonicContact OE1-NH1 3.61Å; E125-R169 IonicContact OE1-NH2 3.57Å; E125-R169 IonicContact OE2-CZ 3.67Å; E125-R169 IonicContact OE2-NH1 2.9Å; E125-R169 PolarHBondContact OE2-NH1 3.29Å; E125-R169 IonicContact OE2-NH2 3.56Å; E125-M174 HydrophobicContact CB-CB 4.1Å; E125-M174 WeakPolarHBondContact OE2-CG 3.4Å
126P95.5Very high92.9Very high3 Ų328.6 Ų28.62%0.01915%0.148CC..Hα-helixtrans-66.8-31.4-178.626.8-36000111.8L111 L123 L129 T130 M174 V177 G178L111-P126 HydrophobicContact CD1-CB 4.37Å; L111-P126 HydrophobicContact CD1-CG 4.43Å; L111-P126 HydrophobicContact CD2-CB 3.66Å; L111-P126 HydrophobicContact CD2-CG 4.05Å; L123-P126 VanDerWaalsContact O-CD 3.28Å; L123-P126 WeakPolarHBondContact O-CD 3.25Å; L123-P126 VanDerWaalsContact O-CG 3.31Å; L123-P126 WeakPolarHBondContact O-CG 3.49Å; P126-L129 PolarHBondContact O-N 2.94Å; P126-T130 WeakPolarHBondContact O-CB 3.4Å; P126-T130 PolarHBondContact O-N 3Å; P126-T130 PolarHBondContact O-OG1 3.43Å; P126-M174 WeakPolarHBondContact CB-O 3.05Å; P126-M174 HydrophobicContact CG-CE 4.2Å; P126-V177 HydrophobicContact CB-CB 4.46Å; P126-V177 HydrophobicContact CB-CG1 4.1Å; P126-G178 VanDerWaalsContact O-CA 3.3Å; P126-G178 WeakPolarHBondContact O-CA 3.31Å
127M96.4Very high93.3Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-65.8-47.3176.4-173.969.8175.300112.6W20 L61 F104 T107 W108 L111 L123 L124 E125 L129 T130 V131W20-M127 HydrophobicContact CH2-CB 4.44Å; W20-M127 HydrophobicContact CH2-CG 3.75Å; W20-M127 HydrophobicContact CZ2-CB 4.05Å; W20-M127 HydrophobicContact CZ2-CG 3.54Å; L61-M127 HydrophobicContact CD1-CB 3.57Å; L61-M127 HydrophobicContact CD1-CG 3.52Å; L61-M127 HydrophobicContact CD1-SD 4.19Å; F104-M127 HydrophobicContact CB-CE 4.33Å; F104-M127 HydrophobicContact CD1-CE 3.95Å; F104-M127 HydrophobicContact CD2-CE 3.2Å; F104-M127 HydrophobicContact CE1-CE 4.02Å; F104-M127 HydrophobicContact CE2-CE 3.26Å; F104-M127 HydrophobicContact CE2-CG 4.49Å; F104-M127 HydrophobicContact CG-CE 3.56Å; F104-M127 HydrophobicContact CZ-CE 3.69Å; T107-M127 WeakPolarHBondContact OG1-CE 3.3Å; W108-M127 HydrophobicContact CB-CE 4.47Å; L111-M127 HydrophobicContact CD1-CB 3.79Å; L111-M127 HydrophobicContact CD1-CG 4.41Å; L111-M127 HydrophobicContact CD1-SD 3.71Å; L123-M127 VanDerWaalsContact O-CB 3.22Å; L123-M127 WeakPolarHBondContact O-CB 3.36Å; L123-M127 PolarHBondContact O-N 3.26Å; L124-M127 PolarHBondContact O-N 3.34Å; E125-M127 VanDerWaalsContact C-N 3.28Å; E125-M127 PolarHBondContact O-N 3.39Å; M127-L129 PolarHBondContact O-N 2.79Å; M127-T130 WeakPolarHBondContact O-CB 3.47Å; M127-T130 PolarHBondContact O-N 3.35Å; M127-V131 HydrophobicContact CE-CG2 4.45Å; M127-V131 PolarHBondContact O-N 3.3Å
128V96.8Very high93.4Very high2 Ų220.8 Ų20.81%0.01211%0.11CC..Hα-helixtrans-56.8-44175.9170.60000109.9W20 F80 L81 L124 E125 V131 L132W20-V128 HydrophobicContact CH2-CB 4.46Å; W20-V128 HydrophobicContact CH2-CG2 3.79Å; W20-V128 HydrophobicContact CZ2-CG2 3.75Å; F80-V128 HydrophobicContact CB-CG1 3.59Å; L81-V128 HydrophobicContact CB-CG2 3.9Å; L81-V128 HydrophobicContact CD1-CG2 4.23Å; L81-V128 HydrophobicContact CG-CG2 4.21Å; L124-V128 HydrophobicContact CD1-CG2 4.13Å; L124-V128 HydrophobicContact CG-CG2 4.36Å; L124-V128 WeakPolarHBondContact O-CG2 3.24Å; L124-V128 PolarHBondContact O-N 3.43Å; E125-V128 PolarHBondContact O-N 2.81Å; V128-V131 PolarHBondContact O-N 3.27Å; V128-L132 VanDerWaalsContact O-CB 3.3Å; V128-L132 WeakPolarHBondContact O-CB 3.36Å; V128-L132 PolarHBondContact O-N 2.89Å
129L96.7Very high93.8Very high9 Ų921.2 Ų21.25%0.04711%0.106CC..Hα-helixtrans-70.6-34.9178.7-166.172.9000113.2E125 P126 M127 L132 Y133 P158 L161 E175 I179E125-L129 PolarHBondContact O-N 2.7Å; E125-L129 VanDerWaalsContact O-N 3.13Å; P126-L129 PolarHBondContact O-N 2.94Å; M127-L129 PolarHBondContact O-N 2.79Å; L129-L132 HydrophobicContact CD1-CD1 4.15Å; L129-L132 HydrophobicContact CD1-CD2 3.99Å; L129-L132 HydrophobicContact CD1-CG 4.5Å; L129-L132 PolarHBondContact O-N 3.12Å; L129-Y133 VanDerWaalsContact O-CB 3.25Å; L129-Y133 WeakPolarHBondContact O-CB 3.43Å; L129-Y133 PolarHBondContact O-N 3.46Å; L129-P158 HydrophobicContact CD1-CB 4.48Å; L129-L161 HydrophobicContact CD1-CB 4.4Å; L129-L161 HydrophobicContact CD1-CD1 3.67Å; L129-E175 VanDerWaalsContact CD2-C 3.41Å; L129-E175 HydrophobicContact CD2-CB 3.43Å; L129-E175 VanDerWaalsContact CD2-CB 3.43Å; L129-E175 HydrophobicContact CD2-CG 3.92Å; L129-E175 WeakPolarHBondContact CD2-O 3.36Å; L129-I179 HydrophobicContact CD2-CD1 4.42Å; L129-I179 HydrophobicContact CD2-CG1 3.98Å
130T97.5Very high94.2Very high0 Ų023 Ų230%010%0.102CC..Hα-helixtrans-58.1-47.9172.4-72.40000111.5T107 P126 M127 Y133 I134 G178 V181T107-T130 HydrophobicContact CG2-CG2 3.5Å; P126-T130 WeakPolarHBondContact O-CB 3.4Å; P126-T130 PolarHBondContact O-N 3Å; P126-T130 PolarHBondContact O-OG1 3.43Å; M127-T130 WeakPolarHBondContact O-CB 3.47Å; M127-T130 PolarHBondContact O-N 3.35Å; T130-Y133 WeakPolarHBondContact O-CB 3.41Å; T130-Y133 PolarHBondContact O-N 2.97Å; T130-I134 HydrophobicContact CG2-CD1 4.01Å; T130-I134 WeakPolarHBondContact O-CG1 3.25Å; T130-I134 PolarHBondContact O-N 2.99Å; T130-G178 WeakPolarHBondContact CA-O 3.38Å; T130-G178 WeakPolarHBondContact OG1-CA 3.22Å; T130-G178 PolarHBondContact OG1-O 2.99Å; T130-V181 HydrophobicContact CG2-CG1 4.26Å
131V96.9Very high94.7Very high2 Ų226.6 Ų26.61%0.01212%0.123CC..Hα-helixtrans-62.9-44.6177.6171.90000111.1W20 L88 M103 M127 V128 Y133 I134 W135W20-V131 HydrophobicContact CH2-CG2 4.1Å; W20-V131 HydrophobicContact CZ3-CG2 4.03Å; L88-V131 HydrophobicContact CD2-CG1 3.96Å; M103-V131 HydrophobicContact CE-CG2 4.12Å; M127-V131 HydrophobicContact CE-CG2 4.45Å; M127-V131 PolarHBondContact O-N 3.3Å; V128-V131 PolarHBondContact O-N 3.27Å; V131-Y133 VanDerWaalsContact C-N 3.34Å; V131-Y133 PolarHBondContact O-N 2.76Å; V131-I134 PolarHBondContact O-N 2.86Å; V131-W135 PolarHBondContact O-N 3.13Å
132L96.9Very high95.1Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-61.3-41.2176.2179.4164.2000111.9F80 Y84 V128 L129 W135 S136 F157 P158 L161F80-L132 HydrophobicContact CB-CD1 4.26Å; F80-L132 HydrophobicContact CD2-CD1 4.14Å; F80-L132 HydrophobicContact CG-CD1 4.09Å; Y84-L132 HydrophobicContact CD1-CG 4.42Å; Y84-L132 HydrophobicContact CD2-CB 4.24Å; Y84-L132 HydrophobicContact CD2-CD1 3.77Å; Y84-L132 HydrophobicContact CD2-CG 3.87Å; Y84-L132 HydrophobicContact CE2-CD1 3.88Å; Y84-L132 HydrophobicContact CE2-CG 4.15Å; Y84-L132 HydrophobicContact CG-CB 4.18Å; Y84-L132 HydrophobicContact CG-CD1 4.44Å; Y84-L132 HydrophobicContact CG-CG 4.05Å; V128-L132 VanDerWaalsContact O-CB 3.3Å; V128-L132 WeakPolarHBondContact O-CB 3.36Å; V128-L132 PolarHBondContact O-N 2.89Å; L129-L132 HydrophobicContact CD1-CD1 4.15Å; L129-L132 HydrophobicContact CD1-CD2 3.99Å; L129-L132 HydrophobicContact CD1-CG 4.5Å; L129-L132 PolarHBondContact O-N 3.12Å; L132-W135 PolarHBondContact O-N 3.35Å; L132-S136 VanDerWaalsContact O-CB 3.24Å; L132-S136 WeakPolarHBondContact O-CB 3.46Å; L132-S136 PolarHBondContact O-N 3.2Å; L132-S136 PolarHBondContact O-OG 3.35Å; L132-F157 HydrophobicContact CD1-CD1 4Å; L132-F157 HydrophobicContact CD1-CE1 3.42Å; L132-F157 VanDerWaalsContact CD1-CE1 3.42Å; L132-F157 HydrophobicContact CD1-CZ 4.18Å; L132-F157 HydrophobicContact CD2-CD1 3.5Å; L132-F157 HydrophobicContact CD2-CE1 3.86Å; L132-F157 HydrophobicContact CD2-CG 4.31Å; L132-F157 HydrophobicContact CG-CD1 3.84Å; L132-F157 HydrophobicContact CG-CE1 3.74Å; L132-P158 HydrophobicContact CD2-CB 4.28Å; L132-P158 HydrophobicContact CD2-CG 3.76Å; L132-L161 HydrophobicContact CD1-CD1 3.52Å; L132-L161 HydrophobicContact CD2-CD1 4.28Å
133Y97.2Very high95.3Very high18 Ų1827.6 Ų27.67%0.07114%0.137CC..Hα-helixtrans-62-49.4176.4178.9-84.8000111.1L129 T130 V131 W135 S136 Q137 P158 I179 G182 H183L129-Y133 VanDerWaalsContact O-CB 3.25Å; L129-Y133 WeakPolarHBondContact O-CB 3.43Å; L129-Y133 PolarHBondContact O-N 3.46Å; T130-Y133 WeakPolarHBondContact O-CB 3.41Å; T130-Y133 PolarHBondContact O-N 2.97Å; V131-Y133 VanDerWaalsContact C-N 3.34Å; V131-Y133 PolarHBondContact O-N 2.76Å; Y133-W135 VanDerWaalsContact C-N 3.33Å; Y133-W135 PolarHBondContact O-N 3.28Å; Y133-S136 WeakPolarHBondContact O-CB 3.3Å; Y133-S136 PolarHBondContact O-N 3.18Å; Y133-S136 VanDerWaalsContact O-N 3.12Å; Y133-Q137 HydrophobicContact CE1-CB 4.3Å; Y133-Q137 WeakPolarHBondContact O-CB 3.5Å; Y133-Q137 PolarHBondContact O-N 3.06Å; Y133-P158 HydrophobicContact CD2-CB 3.95Å; Y133-P158 HydrophobicContact CD2-CG 3.71Å; Y133-P158 HydrophobicContact CG-CG 4.39Å; Y133-I179 HydrophobicContact CD2-CB 4.25Å; Y133-I179 HydrophobicContact CD2-CG1 4.07Å; Y133-I179 HydrophobicContact CD2-CG2 3.93Å; Y133-I179 HydrophobicContact CE2-CG2 3.8Å; Y133-G182 VanDerWaalsContact CD1-C 3.41Å; Y133-H183 HydrophobicContact CE1-CB 3.85Å; Y133-H183 AromaticContact CE1-ND1 3.99Å; Y133-H183 AromaticContact CZ-ND1 3.71Å; Y133-H183 PolarHBondContact OH-ND1 2.9Å
134I95.9Very high95.3Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-58.4-47.8178.3-67.2165000109.7L88 M103 T107 T130 V131 S136 Q137 L138 Y185L88-I134 HydrophobicContact CD1-CG2 4.17Å; L88-I134 HydrophobicContact CD2-CB 4.28Å; L88-I134 HydrophobicContact CD2-CG2 3.95Å; M103-I134 HydrophobicContact CG-CD1 4.02Å; M103-I134 HydrophobicContact SD-CD1 3.75Å; M103-I134 HydrophobicContact SD-CG2 4.29Å; T107-I134 HydrophobicContact CG2-CD1 4.1Å; T130-I134 HydrophobicContact CG2-CD1 4.01Å; T130-I134 WeakPolarHBondContact O-CG1 3.25Å; T130-I134 PolarHBondContact O-N 2.99Å; V131-I134 PolarHBondContact O-N 2.86Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.25Å; I134-Q137 PolarHBondContact O-N 3.38Å; I134-L138 HydrophobicContact CG2-CD1 3.8Å; I134-L138 HydrophobicContact CG2-CG 4.45Å; I134-L138 WeakPolarHBondContact O-CB 3.31Å; I134-L138 WeakPolarHBondContact O-CG 3.18Å; I134-L138 PolarHBondContact O-N 2.94Å; I134-Y185 HydrophobicContact CD1-CD1 3.59Å; I134-Y185 HydrophobicContact CD1-CE1 4.33Å; I134-Y185 HydrophobicContact CD1-CG 4.11Å; I134-Y185 HydrophobicContact CG1-CD1 4.13Å
135W96Very high95.2Very high12 Ų1234.8 Ų34.85%0.04517%0.171CC..Hα-helixtrans-59.1-43.8175.8178.787.7000112.4Y84 L88 V131 L132 Y133 Q137 L138 N139 V142 V144 A154Y84-W135 HydrophobicContact CD1-CB 4.38Å; Y84-W135 AromaticContact CD1-CD2 3.59Å; Y84-W135 HydrophobicContact CD1-CD2 3.59Å; Y84-W135 AromaticContact CD1-CE3 3.41Å; Y84-W135 HydrophobicContact CD1-CE3 3.41Å; Y84-W135 VanDerWaalsContact CD1-CE3 3.41Å; Y84-W135 HydrophobicContact CD1-CG 4.01Å; Y84-W135 AromaticContact CD1-CZ3 3.98Å; Y84-W135 HydrophobicContact CD1-CZ3 3.98Å; Y84-W135 AromaticContact CE1-CD2 3.97Å; Y84-W135 HydrophobicContact CE1-CD2 3.97Å; Y84-W135 AromaticContact CE1-CE3 3.39Å; Y84-W135 HydrophobicContact CE1-CE3 3.39Å; Y84-W135 HydrophobicContact CE1-CH2 4.05Å; Y84-W135 AromaticContact CE1-CZ3 3.46Å; Y84-W135 HydrophobicContact CE1-CZ3 3.46Å; Y84-W135 VanDerWaalsContact CE1-CZ3 3.46Å; L88-W135 HydrophobicContact CD1-CB 4.4Å; V131-W135 PolarHBondContact O-N 3.13Å; L132-W135 PolarHBondContact O-N 3.35Å; Y133-W135 VanDerWaalsContact C-N 3.33Å; Y133-W135 PolarHBondContact O-N 3.28Å; W135-Q137 VanDerWaalsContact C-N 3.31Å; W135-Q137 PolarHBondContact O-N 3.02Å; W135-L138 PolarHBondContact O-N 3.04Å; W135-N139 HydrophobicContact CH2-CB 4.42Å; W135-N139 HydrophobicContact CZ2-CB 4.13Å; W135-N139 PolarHBondContact NE1-ND2 2.77Å; W135-N139 WeakPolarHBondContact O-CB 3.31Å; W135-N139 PolarHBondContact O-N 2.93Å; W135-N139 PolarHBondContact O-ND2 2.78Å; W135-V142 HydrophobicContact CH2-CB 4.4Å; W135-V142 HydrophobicContact CH2-CG1 3.98Å; W135-V142 HydrophobicContact CZ2-CG1 4.34Å; W135-V144 HydrophobicContact CH2-CG2 3.78Å; W135-V144 HydrophobicContact CZ3-CG2 3.7Å; W135-A154 HydrophobicContact CE3-CB 4.48Å; W135-A154 HydrophobicContact CH2-CB 4.16Å; W135-A154 HydrophobicContact CZ3-CB 3.67Å
136S96Very high95Very high1 Ų135 Ų351%0.00717%0.172CC..Hα-helixtrans-62.8-39.2-178.7-660000112.3L132 Y133 I134 N139 R140 A154L132-S136 VanDerWaalsContact O-CB 3.24Å; L132-S136 WeakPolarHBondContact O-CB 3.46Å; L132-S136 PolarHBondContact O-N 3.2Å; L132-S136 PolarHBondContact O-OG 3.35Å; Y133-S136 WeakPolarHBondContact O-CB 3.3Å; Y133-S136 PolarHBondContact O-N 3.18Å; Y133-S136 VanDerWaalsContact O-N 3.12Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.25Å; S136-N139 CarbonylContact O-C 3.46Å; S136-N139 PolarHBondContact O-N 2.94Å; S136-R140 WeakPolarHBondContact O-CA 3.35Å; S136-R140 PolarHBondContact O-N 2.82Å; S136-A154 WeakPolarHBondContact CB-O 3.13Å; S136-A154 PolarHBondContact OG-O 3.39Å
137Q94.6Very high94.3Very high23 Ų2339.4 Ų39.411%0.10719%0.188CC..Hα-helixtrans-77.9-27.1179.6-173.961.412.500112.5Y133 I134 W135 R140 Y186Y133-Q137 HydrophobicContact CE1-CB 4.3Å; Y133-Q137 WeakPolarHBondContact O-CB 3.5Å; Y133-Q137 PolarHBondContact O-N 3.06Å; I134-Q137 PolarHBondContact O-N 3.38Å; W135-Q137 VanDerWaalsContact C-N 3.31Å; W135-Q137 PolarHBondContact O-N 3.02Å; Q137-R140 WeakPolarHBondContact O-CG 3.28Å; Q137-Y186 HydrophobicContact CB-CD2 3.94Å; Q137-Y186 HydrophobicContact CB-CE2 3.97Å; Q137-Y186 HydrophobicContact CB-CG 4.42Å; Q137-Y186 HydrophobicContact CG-CD1 3.79Å; Q137-Y186 HydrophobicContact CG-CD2 3.46Å; Q137-Y186 VanDerWaalsContact CG-CD2 3.46Å; Q137-Y186 HydrophobicContact CG-CE1 3.57Å; Q137-Y186 HydrophobicContact CG-CE2 3.22Å; Q137-Y186 HydrophobicContact CG-CG 3.76Å
138L92.8Very high93.7Very high42 Ų4248.3 Ų48.322%0.2223%0.227CC..Hα-helixtrans-76.7-26.7172.2-69.1171.5000113L88 M92 I134 W135 Y186 F190L88-L138 HydrophobicContact CD1-CD1 3.63Å; M92-L138 HydrophobicContact CB-CD1 4.41Å; M92-L138 HydrophobicContact CE-CD1 3.48Å; M92-L138 VanDerWaalsContact CE-CD1 3.48Å; M92-L138 HydrophobicContact CE-CD2 3.23Å; M92-L138 HydrophobicContact CE-CG 3.88Å; M92-L138 HydrophobicContact SD-CD1 3.39Å; M92-L138 WeakPolarHBondContact SD-CD1 3.47Å; M92-L138 HydrophobicContact SD-CD2 4.12Å; M92-L138 HydrophobicContact SD-CG 4.36Å; I134-L138 HydrophobicContact CG2-CD1 3.8Å; I134-L138 HydrophobicContact CG2-CG 4.45Å; I134-L138 WeakPolarHBondContact O-CB 3.31Å; I134-L138 WeakPolarHBondContact O-CG 3.18Å; I134-L138 PolarHBondContact O-N 2.94Å; W135-L138 PolarHBondContact O-N 3.04Å; L138-Y186 HydrophobicContact CD2-CD2 4.5Å; L138-Y186 HydrophobicContact CD2-CE2 4Å; L138-F190 HydrophobicContact CD1-CZ 4.41Å; L138-F190 HydrophobicContact CD2-CD1 4.17Å; L138-F190 HydrophobicContact CD2-CD2 4.15Å; L138-F190 HydrophobicContact CD2-CE1 4.02Å; L138-F190 HydrophobicContact CD2-CE2 3.99Å; L138-F190 HydrophobicContact CD2-CG 4.26Å; L138-F190 HydrophobicContact CD2-CZ 3.95Å
139N94.5Very high93.2Very high57 Ų5751 Ų5131%0.30526%0.255SS..THydrogen-bonded Turntrans-11842-175.2-64.2-85.6000111.4W135 S136 D141 V142 A154W135-N139 HydrophobicContact CH2-CB 4.42Å; W135-N139 HydrophobicContact CZ2-CB 4.13Å; W135-N139 PolarHBondContact NE1-ND2 2.77Å; W135-N139 WeakPolarHBondContact O-CB 3.31Å; W135-N139 PolarHBondContact O-N 2.93Å; W135-N139 PolarHBondContact O-ND2 2.78Å; S136-N139 CarbonylContact O-C 3.46Å; S136-N139 PolarHBondContact O-N 2.94Å; N139-D141 PolarHBondContact O-N 2.86Å; N139-V142 HydrophobicContact CB-CB 4.17Å; N139-V142 HydrophobicContact CB-CG2 3.77Å; N139-V142 WeakPolarHBondContact O-CB 3.42Å; N139-V142 PolarHBondContact O-N 3.29Å; N139-A154 VanDerWaalsContact O-CB 3.25Å; N139-A154 WeakPolarHBondContact O-CB 3.46Å
140R93.6Very high92.9Very high108 Ų10854.9 Ų54.941%0.40827%0.274SS..THydrogen-bonded Turntrans-50.3-38.3-166.2-58.8-174.165.7157-1.2114.7S136 Q137 K153 M155S136-R140 WeakPolarHBondContact O-CA 3.35Å; S136-R140 PolarHBondContact O-N 2.82Å; Q137-R140 WeakPolarHBondContact O-CG 3.28Å; R140-K153 WeakPolarHBondContact O-CB 3.49Å; R140-M155 HydrophobicContact CB-CB 4.13Å; R140-M155 HydrophobicContact CG-CB 4.33Å
141D94.5Very high92.7Very high116 Ų11660.5 Ų60.562%0.6230%0.3SS*.THydrogen-bonded Turntrans-89.8-6.2-176.1-66-54.7000114.4N139 I143 K153N139-D141 PolarHBondContact O-N 2.86Å; D141-I143 PolarHBondContact O-N 2.95Å; D141-K153 IonicContact OD1-NZ 3.83Å; D141-K153 PolarHBondContact OD1-NZ 3.14Å
142V94.2Very high92.5Very high61 Ų6162 Ų6237%0.3731%0.307SS..PPolyproline II helixtrans-66.6128175.5174.10000109.1W135 N139 V144 A154W135-V142 HydrophobicContact CH2-CB 4.4Å; W135-V142 HydrophobicContact CH2-CG1 3.98Å; W135-V142 HydrophobicContact CZ2-CG1 4.34Å; N139-V142 HydrophobicContact CB-CB 4.17Å; N139-V142 HydrophobicContact CB-CG2 3.77Å; N139-V142 WeakPolarHBondContact O-CB 3.42Å; N139-V142 PolarHBondContact O-N 3.29Å; V142-V144 PolarHBondContact O-N 3.1Å; V142-A154 HydrophobicContact CB-CB 4.41Å; V142-A154 WeakPolarHBondContact O-CB 3.16Å; V142-A154 PolarHBondContact O-N 3.31Å
143I94.8Very high92.5Very high109 Ų10966.3 Ų66.356%0.55933%0.326SS*.EExtended strand (participates in β ladder)trans-79119.1175.5-59.7175.3000108.3D141 Q151D141-I143 PolarHBondContact O-N 2.95Å; I143-Q151 HydrophobicContact CG2-CB 3.8Å; I143-Q151 HydrophobicContact CG2-CG 4.45Å
144V93.5Very high92.4Very high8 Ų865.5 Ų65.55%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-98.2130174.4178.40000108W135 V142 Q151 F152 A154 F157W135-V144 HydrophobicContact CH2-CG2 3.78Å; W135-V144 HydrophobicContact CZ3-CG2 3.7Å; V142-V144 PolarHBondContact O-N 3.1Å; V144-Q151 WeakPolarHBondContact O-CA 3.26Å; V144-F152 HydrophobicContact CB-CE2 4.26Å; V144-F152 HydrophobicContact CG1-CE2 4.47Å; V144-F152 PolarHBondContact N-O 3.48Å; V144-F152 PolarHBondContact O-N 3.47Å; V144-A154 HydrophobicContact CG2-CB 3.83Å; V144-F157 HydrophobicContact CG1-CD1 4.4Å; V144-F157 HydrophobicContact CG1-CD2 4.48Å; V144-F157 HydrophobicContact CG1-CG 4.37Å
145Q92.3Very high92.4Very high146 Ų14667.5 Ų67.568%0.68233%0.332SS*.EExtended strand (participates in β ladder)trans-83.7130.3170-57.4-174.62500108.9Q151Q145-Q151 HydrophobicContact CG-CG 4.16Å
146F87.8Confident92.4Very high19 Ų1972.6 Ų72.68%0.08335%0.352CS..  trans-116.3-178.4172.7-163.8-121.9000109.5F80 G149 M150 F152 F157 V160 L161 F164F80-F146 HydrophobicContact CZ-CE2 4.48Å; F146-G149 PolarHBondContact O-N 2.86Å; F146-M150 HydrophobicContact CB-CB 4.43Å; F146-M150 HydrophobicContact CD1-CE 3.74Å; F146-M150 HydrophobicContact CE1-CE 4.26Å; F146-M150 PolarHBondContact N-O 3.25Å; F146-F152 HydrophobicContact CB-CE1 3.4Å; F146-F152 HydrophobicContact CB-CZ 3.52Å; F146-F152 HydrophobicContact CD1-CE1 4.2Å; F146-F152 HydrophobicContact CD1-CZ 4.45Å; F146-F152 HydrophobicContact CD2-CZ 4.44Å; F146-F152 AromaticContact CG-CE1 3.96Å; F146-F152 HydrophobicContact CG-CE1 3.96Å; F146-F152 AromaticContact CG-CZ 3.91Å; F146-F152 HydrophobicContact CG-CZ 3.91Å; F146-F157 AromaticContact CD2-CE2 3.67Å; F146-F157 HydrophobicContact CD2-CE2 3.67Å; F146-F157 HydrophobicContact CD2-CZ 4.45Å; F146-F157 AromaticContact CE2-CE2 3.94Å; F146-F157 HydrophobicContact CE2-CE2 3.94Å; F146-V160 HydrophobicContact CD1-CG1 3.89Å; F146-V160 HydrophobicContact CE1-CG1 3.91Å; F146-L161 HydrophobicContact CE2-CD2 3.73Å; F146-L161 HydrophobicContact CZ-CD2 3.96Å; F146-F164 HydrophobicContact CE1-CD2 4.15Å; F146-F164 HydrophobicContact CE1-CG 4.4Å; F146-F164 HydrophobicContact CZ-CB 4.4Å; F146-F164 HydrophobicContact CZ-CD1 4.44Å; F146-F164 HydrophobicContact CZ-CD2 4.13Å; F146-F164 HydrophobicContact CZ-CG 4.07Å
147W82.4Confident92.3Very high95 Ų9572.6 Ų72.636%0.3635%0.352SS..G310 helixtrans-61.7155.9-172.1-70.627.2000112.2F72 I76 G149 M150 F164F72-W147 HydrophobicContact CD1-CH2 4.48Å; F72-W147 AromaticContact CE1-CH2 3.27Å; F72-W147 HydrophobicContact CE1-CH2 3.27Å; F72-W147 HydrophobicContact CE1-CZ2 4.31Å; F72-W147 AromaticContact CE1-CZ3 3.86Å; F72-W147 HydrophobicContact CE1-CZ3 3.86Å; F72-W147 HydrophobicContact CE2-CH2 4.04Å; F72-W147 AromaticContact CZ-CH2 2.99Å; F72-W147 HydrophobicContact CZ-CH2 2.99Å; F72-W147 AromaticContact CZ-CZ2 3.82Å; F72-W147 HydrophobicContact CZ-CZ2 3.82Å; F72-W147 AromaticContact CZ-CZ3 3.64Å; F72-W147 HydrophobicContact CZ-CZ3 3.64Å; I76-W147 HydrophobicContact CD1-CH2 3.66Å; I76-W147 HydrophobicContact CD1-CZ2 3.57Å; I76-W147 HydrophobicContact CG1-CH2 4.45Å; I76-W147 HydrophobicContact CG1-CZ2 3.95Å; W147-G149 PolarHBondContact O-N 2.76Å; W147-M150 WeakPolarHBondContact O-CE 3.22Å; W147-M150 WeakPolarHBondContact O-CG 3.45Å; W147-M150 PolarHBondContact O-N 3.29Å; W147-F164 HydrophobicContact CH2-CZ 4.28Å; W147-F164 HydrophobicContact CZ3-CZ 4.24Å
148F82.1Confident92.4Very high187 Ų18771.6 Ų71.682%0.8235%0.348SS*.G310 helixtrans61.220.5-176.8-49.8-80.3000114.1M150F148-M150 HydrophobicContact CD2-CE 4.25Å; F148-M150 PolarHBondContact O-N 2.94Å
149G86.6Confident92.5Very high57 Ų5775.4 Ų75.459%0.58836%0.359SS*.G310 helixtrans74.811.1-178.800000113.8F146 W147 Q151F146-G149 PolarHBondContact O-N 2.86Å; W147-G149 PolarHBondContact O-N 2.76Å; G149-Q151 PolarHBondContact O-N 2.89Å
150M90.8Very high92.5Very high91 Ų9174.4 Ų74.445%0.44836%0.355SS..  trans-63.1135.4173.3-67.5-172.9-77.400109.9F146 W147 F148F146-M150 HydrophobicContact CB-CB 4.43Å; F146-M150 HydrophobicContact CD1-CE 3.74Å; F146-M150 HydrophobicContact CE1-CE 4.26Å; F146-M150 PolarHBondContact N-O 3.25Å; W147-M150 WeakPolarHBondContact O-CE 3.22Å; W147-M150 WeakPolarHBondContact O-CG 3.45Å; W147-M150 PolarHBondContact O-N 3.29Å; F148-M150 HydrophobicContact CD2-CE 4.25Å; F148-M150 PolarHBondContact O-N 2.94Å
151Q92.9Very high92.6Very high119 Ų11969.5 Ų69.556%0.55634%0.337SS*.EExtended strand (participates in β ladder)trans-128.3135179.4-59.9-173.6-4.700109.5I143 V144 Q145 G149I143-Q151 HydrophobicContact CG2-CB 3.8Å; I143-Q151 HydrophobicContact CG2-CG 4.45Å; V144-Q151 WeakPolarHBondContact O-CA 3.26Å; Q145-Q151 HydrophobicContact CG-CG 4.16Å; G149-Q151 PolarHBondContact O-N 2.89Å
152F93.7Very high92.6Very high34 Ų3464.8 Ų64.815%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-150.2163.4176.145.3-101.1000110.3V144 F146 F157 V160V144-F152 HydrophobicContact CB-CE2 4.26Å; V144-F152 HydrophobicContact CG1-CE2 4.47Å; V144-F152 PolarHBondContact N-O 3.48Å; V144-F152 PolarHBondContact O-N 3.47Å; F146-F152 HydrophobicContact CB-CE1 3.4Å; F146-F152 HydrophobicContact CB-CZ 3.52Å; F146-F152 HydrophobicContact CD1-CE1 4.2Å; F146-F152 HydrophobicContact CD1-CZ 4.45Å; F146-F152 HydrophobicContact CD2-CZ 4.44Å; F146-F152 AromaticContact CG-CE1 3.96Å; F146-F152 HydrophobicContact CG-CE1 3.96Å; F146-F152 AromaticContact CG-CZ 3.91Å; F146-F152 HydrophobicContact CG-CZ 3.91Å; F152-F157 HydrophobicContact CD2-CB 4.31Å; F152-F157 HydrophobicContact CE2-CB 3.58Å; F152-F157 AromaticContact CE2-CD2 3.36Å; F152-F157 HydrophobicContact CE2-CD2 3.36Å; F152-F157 HydrophobicContact CE2-CE2 4.34Å; F152-F157 AromaticContact CE2-CG 3.79Å; F152-F157 HydrophobicContact CE2-CG 3.79Å; F152-F157 HydrophobicContact CZ-CB 4.5Å; F152-F157 AromaticContact CZ-CD2 3.44Å; F152-F157 HydrophobicContact CZ-CD2 3.44Å; F152-F157 VanDerWaalsContact CZ-CD2 3.44Å; F152-F157 HydrophobicContact CZ-CE2 4.08Å; F152-F157 HydrophobicContact CZ-CG 4.33Å; F152-V160 HydrophobicContact CD1-CG2 4.04Å; F152-V160 HydrophobicContact CD2-CG2 4.37Å; F152-V160 HydrophobicContact CE1-CB 4.14Å; F152-V160 HydrophobicContact CE1-CG1 3.75Å; F152-V160 HydrophobicContact CE1-CG2 3.82Å; F152-V160 HydrophobicContact CE2-CB 4.46Å; F152-V160 HydrophobicContact CE2-CG2 4.21Å; F152-V160 HydrophobicContact CG-CG2 4.3Å; F152-V160 HydrophobicContact CZ-CB 3.94Å; F152-V160 HydrophobicContact CZ-CG1 3.83Å; F152-V160 HydrophobicContact CZ-CG2 3.91Å
153K95.7Very high92.7Very high90 Ų9066.9 Ų66.939%0.39132%0.32SS..EExtended strand (participates in β ladder)trans-62.8139.2173-71.2-167.9173.7-160.40110.8R140 D141 M155 Y156R140-K153 WeakPolarHBondContact O-CB 3.49Å; D141-K153 IonicContact OD1-NZ 3.83Å; D141-K153 PolarHBondContact OD1-NZ 3.14Å; K153-M155 HydrophobicContact CB-CG 3.95Å; K153-M155 PolarHBondContact O-N 3.01Å; K153-Y156 HydrophobicContact CB-CD2 3.85Å; K153-Y156 HydrophobicContact CB-CE2 4.06Å; K153-Y156 PolarHBondContact O-N 3.21Å
154A95.4Very high92.6Very high0 Ų063.7 Ų63.70%030%0.302CS..G310 helixtrans-50.6-36.6-178.100000112.6W135 S136 N139 V142 V144 Y156 F157W135-A154 HydrophobicContact CE3-CB 4.48Å; W135-A154 HydrophobicContact CH2-CB 4.16Å; W135-A154 HydrophobicContact CZ3-CB 3.67Å; S136-A154 WeakPolarHBondContact CB-O 3.13Å; S136-A154 PolarHBondContact OG-O 3.39Å; N139-A154 VanDerWaalsContact O-CB 3.25Å; N139-A154 WeakPolarHBondContact O-CB 3.46Å; V142-A154 HydrophobicContact CB-CB 4.41Å; V142-A154 WeakPolarHBondContact O-CB 3.16Å; V142-A154 PolarHBondContact O-N 3.31Å; V144-A154 HydrophobicContact CG2-CB 3.83Å; A154-Y156 PolarHBondContact O-N 3.04Å; A154-F157 WeakPolarHBondContact O-CB 3.07Å; A154-F157 PolarHBondContact O-N 2.87Å
155M95.3Very high92.5Very high43 Ų4363.8 Ų63.821%0.21230%0.303CS..G310 helixtrans-55.4-27.3177.562.5171-79.400114.7R140 K153R140-M155 HydrophobicContact CB-CB 4.13Å; R140-M155 HydrophobicContact CG-CB 4.33Å; K153-M155 HydrophobicContact CB-CG 3.95Å; K153-M155 PolarHBondContact O-N 3.01Å
156Y95.8Very high92.5Very high118 Ų11861.3 Ų61.346%0.46329%0.294SS..G310 helixtrans-88.8-12.4178-59.8-65.4000112.8K153 A154 W159 V160K153-Y156 HydrophobicContact CB-CD2 3.85Å; K153-Y156 HydrophobicContact CB-CE2 4.06Å; K153-Y156 PolarHBondContact O-N 3.21Å; A154-Y156 PolarHBondContact O-N 3.04Å; Y156-W159 WeakPolarHBondContact O-CB 3.49Å; Y156-W159 PolarHBondContact O-N 3.08Å; Y156-W159 VanDerWaalsContact O-N 3.09Å; Y156-V160 WeakPolarHBondContact O-CG2 3.2Å; Y156-V160 PolarHBondContact O-N 3.23Å
157F95.2Very high92.7Very high2 Ų266.9 Ų66.91%0.00932%0.323CS..Hα-helixtrans-59.1-46.1-170.9-173.7-140.5000114.4F80 Y84 L132 V144 F146 F152 A154 W159 V160 L161F80-F157 HydrophobicContact CD1-CZ 4.44Å; F80-F157 HydrophobicContact CE1-CE1 4.48Å; F80-F157 AromaticContact CE1-CZ 3.77Å; F80-F157 HydrophobicContact CE1-CZ 3.77Å; F80-F157 AromaticContact CZ-CZ 3.83Å; F80-F157 HydrophobicContact CZ-CZ 3.83Å; Y84-F157 HydrophobicContact CD2-CE1 4.45Å; Y84-F157 HydrophobicContact CE1-CD1 4.33Å; Y84-F157 HydrophobicContact CE1-CE1 4.14Å; Y84-F157 HydrophobicContact CE2-CD1 4.38Å; Y84-F157 AromaticContact CE2-CE1 3.46Å; Y84-F157 HydrophobicContact CE2-CE1 3.46Å; Y84-F157 VanDerWaalsContact CE2-CE1 3.46Å; Y84-F157 HydrophobicContact CE2-CZ 4.2Å; Y84-F157 AromaticContact CZ-CD1 3.85Å; Y84-F157 AromaticContact CZ-CE1 3.26Å; Y84-F157 WeakPolarHBondContact OH-CE1 3.39Å; L132-F157 HydrophobicContact CD1-CD1 4Å; L132-F157 HydrophobicContact CD1-CE1 3.42Å; L132-F157 VanDerWaalsContact CD1-CE1 3.42Å; L132-F157 HydrophobicContact CD1-CZ 4.18Å; L132-F157 HydrophobicContact CD2-CD1 3.5Å; L132-F157 HydrophobicContact CD2-CE1 3.86Å; L132-F157 HydrophobicContact CD2-CG 4.31Å; L132-F157 HydrophobicContact CG-CD1 3.84Å; L132-F157 HydrophobicContact CG-CE1 3.74Å; V144-F157 HydrophobicContact CG1-CD1 4.4Å; V144-F157 HydrophobicContact CG1-CD2 4.48Å; V144-F157 HydrophobicContact CG1-CG 4.37Å; F146-F157 AromaticContact CD2-CE2 3.67Å; F146-F157 HydrophobicContact CD2-CE2 3.67Å; F146-F157 HydrophobicContact CD2-CZ 4.45Å; F146-F157 AromaticContact CE2-CE2 3.94Å; F146-F157 HydrophobicContact CE2-CE2 3.94Å; F152-F157 HydrophobicContact CD2-CB 4.31Å; F152-F157 HydrophobicContact CE2-CB 3.58Å; F152-F157 AromaticContact CE2-CD2 3.36Å; F152-F157 HydrophobicContact CE2-CD2 3.36Å; F152-F157 HydrophobicContact CE2-CE2 4.34Å; F152-F157 AromaticContact CE2-CG 3.79Å; F152-F157 HydrophobicContact CE2-CG 3.79Å; F152-F157 HydrophobicContact CZ-CB 4.5Å; F152-F157 AromaticContact CZ-CD2 3.44Å; F152-F157 HydrophobicContact CZ-CD2 3.44Å; F152-F157 VanDerWaalsContact CZ-CD2 3.44Å; F152-F157 HydrophobicContact CZ-CE2 4.08Å; F152-F157 HydrophobicContact CZ-CG 4.33Å; A154-F157 WeakPolarHBondContact O-CB 3.07Å; A154-F157 PolarHBondContact O-N 2.87Å; F157-W159 PolarHBondContact O-N 2.86Å; F157-V160 PolarHBondContact O-N 2.77Å; F157-L161 HydrophobicContact CD2-CD1 4.5Å; F157-L161 HydrophobicContact CD2-CG 4.16Å; F157-L161 HydrophobicContact CE1-CD1 4.1Å; F157-L161 HydrophobicContact CE2-CD1 4.04Å; F157-L161 HydrophobicContact CE2-CD2 3.79Å; F157-L161 HydrophobicContact CE2-CG 3.78Å; F157-L161 HydrophobicContact CZ-CD1 3.82Å; F157-L161 HydrophobicContact CZ-CD2 4.09Å; F157-L161 HydrophobicContact CZ-CG 4.08Å; F157-L161 PolarHBondContact O-N 3.38Å
158P95.6Very high93.1Very high1 Ų166.8 Ų66.81%0.00633%0.332CS..Hα-helixtrans-58.9-36.5177.3-21.833.1000112.4L129 L132 Y133 L161 V162 I179L129-P158 HydrophobicContact CD1-CB 4.48Å; L132-P158 HydrophobicContact CD2-CB 4.28Å; L132-P158 HydrophobicContact CD2-CG 3.76Å; Y133-P158 HydrophobicContact CD2-CB 3.95Å; Y133-P158 HydrophobicContact CD2-CG 3.71Å; Y133-P158 HydrophobicContact CG-CG 4.39Å; P158-L161 PolarHBondContact O-N 2.99Å; P158-V162 WeakPolarHBondContact O-CG2 3.35Å; P158-V162 PolarHBondContact O-N 3.13Å; P158-I179 HydrophobicContact CB-CD1 3.89Å; P158-I179 HydrophobicContact CB-CG1 3.82Å
159W96.1Very high93.3Very high123 Ų12363.1 Ų63.147%0.46631%0.313SS..Hα-helixtrans-72.5-37.1178.9-58.9108.2000112.5Y156 F157 L161 V162 I163 L176 I179Y156-W159 WeakPolarHBondContact O-CB 3.49Å; Y156-W159 PolarHBondContact O-N 3.08Å; Y156-W159 VanDerWaalsContact O-N 3.09Å; F157-W159 PolarHBondContact O-N 2.86Å; W159-L161 VanDerWaalsContact C-N 3.26Å; W159-L161 PolarHBondContact O-N 3.1Å; W159-V162 WeakPolarHBondContact O-CB 3.26Å; W159-V162 PolarHBondContact O-N 3.08Å; W159-I163 WeakPolarHBondContact O-CG1 3.33Å; W159-I163 PolarHBondContact O-N 3.49Å; W159-I163 VanDerWaalsContact O-N 3.07Å; W159-L176 HydrophobicContact CZ3-CD2 4.32Å; W159-I179 HydrophobicContact CD2-CD1 4.3Å; W159-I179 HydrophobicContact CE3-CD1 4.05Å; W159-I179 HydrophobicContact CH2-CD1 4.45Å; W159-I179 HydrophobicContact CH2-CG2 3.99Å; W159-I179 HydrophobicContact CZ2-CG2 3.98Å; W159-I179 HydrophobicContact CZ3-CD1 4.12Å
160V94.7Very high93.5Very high36 Ų3663.2 Ų63.222%0.21831%0.314CS..Hα-helixtrans-60.4-40171.61740000110.3F146 F152 Y156 F157 I163 F164F146-V160 HydrophobicContact CD1-CG1 3.89Å; F146-V160 HydrophobicContact CE1-CG1 3.91Å; F152-V160 HydrophobicContact CD1-CG2 4.04Å; F152-V160 HydrophobicContact CD2-CG2 4.37Å; F152-V160 HydrophobicContact CE1-CB 4.14Å; F152-V160 HydrophobicContact CE1-CG1 3.75Å; F152-V160 HydrophobicContact CE1-CG2 3.82Å; F152-V160 HydrophobicContact CE2-CB 4.46Å; F152-V160 HydrophobicContact CE2-CG2 4.21Å; F152-V160 HydrophobicContact CG-CG2 4.3Å; F152-V160 HydrophobicContact CZ-CB 3.94Å; F152-V160 HydrophobicContact CZ-CG1 3.83Å; F152-V160 HydrophobicContact CZ-CG2 3.91Å; Y156-V160 WeakPolarHBondContact O-CG2 3.2Å; Y156-V160 PolarHBondContact O-N 3.23Å; F157-V160 PolarHBondContact O-N 2.77Å; V160-I163 PolarHBondContact O-N 2.9Å; V160-F164 VanDerWaalsContact O-CB 3.3Å; V160-F164 WeakPolarHBondContact O-CB 3.32Å; V160-F164 PolarHBondContact O-N 3.28Å
161L94.3Very high93.5Very high4 Ų461.3 Ų61.32%0.02131%0.31CS..Hα-helixtrans-66.5-38.7176.1-67.4-179.2000113.1F80 L129 L132 F146 F157 P158 W159 I163 F164 N165F80-L161 HydrophobicContact CD2-CD1 4.19Å; F80-L161 HydrophobicContact CE2-CD1 3.69Å; F80-L161 HydrophobicContact CE2-CD2 3.68Å; F80-L161 HydrophobicContact CE2-CG 4.37Å; F80-L161 HydrophobicContact CZ-CD1 4.22Å; F80-L161 HydrophobicContact CZ-CD2 3.75Å; L129-L161 HydrophobicContact CD1-CB 4.4Å; L129-L161 HydrophobicContact CD1-CD1 3.67Å; L132-L161 HydrophobicContact CD1-CD1 3.52Å; L132-L161 HydrophobicContact CD2-CD1 4.28Å; F146-L161 HydrophobicContact CE2-CD2 3.73Å; F146-L161 HydrophobicContact CZ-CD2 3.96Å; F157-L161 HydrophobicContact CD2-CD1 4.5Å; F157-L161 HydrophobicContact CD2-CG 4.16Å; F157-L161 HydrophobicContact CE1-CD1 4.1Å; F157-L161 HydrophobicContact CE2-CD1 4.04Å; F157-L161 HydrophobicContact CE2-CD2 3.79Å; F157-L161 HydrophobicContact CE2-CG 3.78Å; F157-L161 HydrophobicContact CZ-CD1 3.82Å; F157-L161 HydrophobicContact CZ-CD2 4.09Å; F157-L161 HydrophobicContact CZ-CG 4.08Å; F157-L161 PolarHBondContact O-N 3.38Å; P158-L161 PolarHBondContact O-N 2.99Å; W159-L161 VanDerWaalsContact C-N 3.26Å; W159-L161 PolarHBondContact O-N 3.1Å; L161-I163 PolarHBondContact O-N 3.32Å; L161-F164 PolarHBondContact O-N 3.03Å; L161-N165 WeakPolarHBondContact O-CB 2.96Å; L161-N165 PolarHBondContact O-N 3.23Å
162V95.8Very high93.5Very high18 Ų1855.9 Ų55.911%0.10929%0.285CS..Hα-helixtrans-56.9-50.1172.6168.20000110.5P158 W159 L166 A172 E175 L176 I179P158-V162 WeakPolarHBondContact O-CG2 3.35Å; P158-V162 PolarHBondContact O-N 3.13Å; W159-V162 WeakPolarHBondContact O-CB 3.26Å; W159-V162 PolarHBondContact O-N 3.08Å; V162-L166 VanDerWaalsContact O-CB 3.23Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 PolarHBondContact O-N 3.12Å; V162-A172 HydrophobicContact CB-CB 4.41Å; V162-A172 HydrophobicContact CG1-CB 3.79Å; V162-A172 WeakPolarHBondContact O-CB 3.2Å; V162-E175 HydrophobicContact CG2-CB 3.7Å; V162-L176 HydrophobicContact CG1-CD2 4.15Å; V162-L176 HydrophobicContact CG2-CD2 4.17Å; V162-I179 HydrophobicContact CG2-CD1 3.5Å
163I94.9Very high93.5Very high104 Ų10459.2 Ų59.253%0.53330%0.302SS..Hα-helixtrans-63.5-44.6179.6-64.9168000110.4W159 V160 L161 L166 I167W159-I163 WeakPolarHBondContact O-CG1 3.33Å; W159-I163 PolarHBondContact O-N 3.49Å; W159-I163 VanDerWaalsContact O-N 3.07Å; V160-I163 PolarHBondContact O-N 2.9Å; L161-I163 PolarHBondContact O-N 3.32Å; I163-L166 PolarHBondContact O-N 3.2Å; I163-I167 HydrophobicContact CG2-CD1 3.92Å; I163-I167 VanDerWaalsContact O-CG1 3.32Å; I163-I167 WeakPolarHBondContact O-CG1 3.07Å; I163-I167 PolarHBondContact O-N 3.25Å
164F92.7Very high93.4Very high42 Ų4256.1 Ų56.118%0.18429%0.29CS..Hα-helixtrans-60.3-50.1179.1178.2-98.7000112F146 W147 V160 L161 L166 I167 V168F146-F164 HydrophobicContact CE1-CD2 4.15Å; F146-F164 HydrophobicContact CE1-CG 4.4Å; F146-F164 HydrophobicContact CZ-CB 4.4Å; F146-F164 HydrophobicContact CZ-CD1 4.44Å; F146-F164 HydrophobicContact CZ-CD2 4.13Å; F146-F164 HydrophobicContact CZ-CG 4.07Å; W147-F164 HydrophobicContact CH2-CZ 4.28Å; W147-F164 HydrophobicContact CZ3-CZ 4.24Å; V160-F164 VanDerWaalsContact O-CB 3.3Å; V160-F164 WeakPolarHBondContact O-CB 3.32Å; V160-F164 PolarHBondContact O-N 3.28Å; L161-F164 PolarHBondContact O-N 3.03Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 PolarHBondContact O-N 2.85Å; F164-I167 PolarHBondContact O-N 3.43Å; F164-V168 HydrophobicContact CD1-CG2 4.39Å; F164-V168 HydrophobicContact CD2-CG2 4.31Å; F164-V168 HydrophobicContact CE1-CG2 4.03Å; F164-V168 HydrophobicContact CE2-CG2 3.95Å; F164-V168 HydrophobicContact CZ-CG2 3.81Å; F164-V168 WeakPolarHBondContact O-CG2 3.17Å; F164-V168 PolarHBondContact O-N 3.38Å
165N92Very high93.3Very high10 Ų1056.5 Ų56.55%0.05329%0.291CS..Hα-helixtrans-70.8-30.3-179.7-77.9-28.3000112.5L161 I167 V168 R169 E175L161-N165 WeakPolarHBondContact O-CB 2.96Å; L161-N165 PolarHBondContact O-N 3.23Å; N165-I167 VanDerWaalsContact C-N 3.32Å; N165-I167 PolarHBondContact O-N 3.03Å; N165-V168 PolarHBondContact O-N 3.43Å; N165-R169 WeakPolarHBondContact O-CA 3.22Å; N165-R169 WeakPolarHBondContact O-CB 3.42Å; N165-R169 PolarHBondContact O-N 3.09Å; N165-E175 HydrophobicContact CB-CG 4.41Å; N165-E175 VanDerWaalsContact CB-OE1 3.3Å; N165-E175 WeakPolarHBondContact CB-OE1 3.2Å; N165-E175 VanDerWaalsContact CG-OE1 3.25Å; N165-E175 PolarHBondContact ND2-OE1 3.23Å
166L93.4Very high93.3Very high95 Ų9557.3 Ų57.350%0.49730%0.296SS..Hα-helixtrans-61.1-41.9170.1-172.867000111.5V162 I163 F164 G170 A172V162-L166 VanDerWaalsContact O-CB 3.23Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 PolarHBondContact O-N 3.12Å; I163-L166 PolarHBondContact O-N 3.2Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 PolarHBondContact O-N 2.85Å; L166-G170 WeakPolarHBondContact O-CA 3.39Å; L166-G170 PolarHBondContact O-N 2.78Å; L166-A172 HydrophobicContact CB-CB 4.22Å
167I92.3Very high93.3Very high135 Ų13552.5 Ų52.569%0.69228%0.28SS*.Hα-helixtrans-71.1-44.5178.1-66.4165.7000111.4I163 F164 N165I163-I167 HydrophobicContact CG2-CD1 3.92Å; I163-I167 VanDerWaalsContact O-CG1 3.32Å; I163-I167 WeakPolarHBondContact O-CG1 3.07Å; I163-I167 PolarHBondContact O-N 3.25Å; F164-I167 PolarHBondContact O-N 3.43Å; N165-I167 VanDerWaalsContact C-N 3.32Å; N165-I167 PolarHBondContact O-N 3.03Å
168V89.2Confident93.4Very high93 Ų9352.4 Ų52.456%0.56428%0.279SS*.Hα-helixtrans-77.9-38.8-173.71750000112.5F164 N165F164-V168 HydrophobicContact CD1-CG2 4.39Å; F164-V168 HydrophobicContact CD2-CG2 4.31Å; F164-V168 HydrophobicContact CE1-CG2 4.03Å; F164-V168 HydrophobicContact CE2-CG2 3.95Å; F164-V168 HydrophobicContact CZ-CG2 3.81Å; F164-V168 WeakPolarHBondContact O-CG2 3.17Å; F164-V168 PolarHBondContact O-N 3.38Å; N165-V168 PolarHBondContact O-N 3.43Å
169R88.1Confident93.5Very high110 Ų11052.8 Ų52.842%0.41528%0.281SS..Hα-helixtrans-113.1-14.5-172.2-60.9174.760.5-157.46.5113.9H73 E125 N165 S171 E175H73-R169 PolarHBondContact CE1-NH1 3.04Å; E125-R169 IonicContact OE1-CZ 3.83Å; E125-R169 IonicContact OE1-NH1 3.61Å; E125-R169 IonicContact OE1-NH2 3.57Å; E125-R169 IonicContact OE2-CZ 3.67Å; E125-R169 IonicContact OE2-NH1 2.9Å; E125-R169 PolarHBondContact OE2-NH1 3.29Å; E125-R169 IonicContact OE2-NH2 3.56Å; N165-R169 WeakPolarHBondContact O-CA 3.22Å; N165-R169 WeakPolarHBondContact O-CB 3.42Å; N165-R169 PolarHBondContact O-N 3.09Å; R169-S171 PolarHBondContact O-N 3.41Å; R169-E175 IonicContact NH1-OE1 3.53Å
170G89.6Confident93.5Very high59 Ų5952.3 Ų52.361%0.60829%0.286SS*.SBendtrans77.40.9-174.500000114.7L166L166-G170 WeakPolarHBondContact O-CA 3.39Å; L166-G170 PolarHBondContact O-N 2.78Å
171S91.2Very high93.6Very high52 Ų5250.7 Ų50.736%0.36428%0.277SS..  trans-146.6138.7177.7-179.10000110.4R169R169-S171 PolarHBondContact O-N 3.41Å
172A92.8Very high93.7Very high4 Ų450.5 Ų50.53%0.03328%0.276CS..  trans-126.523.7176.400000112.2V162 L166 M174 E175 L176V162-A172 HydrophobicContact CB-CB 4.41Å; V162-A172 HydrophobicContact CG1-CB 3.79Å; V162-A172 WeakPolarHBondContact O-CB 3.2Å; L166-A172 HydrophobicContact CB-CB 4.22Å; A172-M174 PolarHBondContact O-N 3.18Å; A172-E175 WeakPolarHBondContact CA-OE2 2.88Å; A172-E175 HydrophobicContact CB-CB 4.44Å; A172-E175 WeakPolarHBondContact O-CB 2.95Å; A172-E175 PolarHBondContact O-N 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 3.05Å
173M93.4Very high93.7Very high104 Ų10453.3 Ų53.351%0.51229%0.287SS..Hα-helixtrans-64.5-40.3-174.3-69.5-63122.500112.3F120 E175 L176 V177F120-M173 HydrophobicContact CE1-CB 4.42Å; M173-E175 PolarHBondContact O-N 3.04Å; M173-L176 HydrophobicContact CE-CD1 3.98Å; M173-L176 PolarHBondContact O-N 3.46Å; M173-V177 WeakPolarHBondContact O-CG2 3.19Å; M173-V177 PolarHBondContact O-N 3.17Å
174M92.8Very high93.7Very high25 Ų2551.7 Ų51.712%0.12328%0.279CS..Hα-helixtrans-64.3-34.8177.9-58-53.4-94.200110.4F120 V122 E125 P126 A172 G178F120-M174 HydrophobicContact CB-CE 4.13Å; F120-M174 HydrophobicContact CB-SD 4.37Å; F120-M174 HydrophobicContact CD1-CE 4.32Å; F120-M174 HydrophobicContact CD1-SD 3.5Å; F120-M174 VanDerWaalsContact CD1-SD 3.5Å; F120-M174 HydrophobicContact CD2-SD 4.37Å; F120-M174 HydrophobicContact CE1-SD 3.78Å; F120-M174 HydrophobicContact CG-CE 4.22Å; F120-M174 HydrophobicContact CG-SD 3.83Å; F120-M174 HydrophobicContact CZ-SD 4.34Å; V122-M174 WeakPolarHBondContact O-CE 3.5Å; E125-M174 HydrophobicContact CB-CB 4.1Å; E125-M174 WeakPolarHBondContact OE2-CG 3.4Å; P126-M174 WeakPolarHBondContact CB-O 3.05Å; P126-M174 HydrophobicContact CG-CE 4.2Å; A172-M174 PolarHBondContact O-N 3.18Å; M174-G178 PolarHBondContact O-N 3.15Å
175E94.5Very high93.7Very high8 Ų849.7 Ų49.74%0.03727%0.271CS..Hα-helixtrans-72.4-44.4180-64.577.1176.200111.3L129 V162 N165 R169 A172 M173 V177 G178 I179L129-E175 VanDerWaalsContact CD2-C 3.41Å; L129-E175 HydrophobicContact CD2-CB 3.43Å; L129-E175 VanDerWaalsContact CD2-CB 3.43Å; L129-E175 HydrophobicContact CD2-CG 3.92Å; L129-E175 WeakPolarHBondContact CD2-O 3.36Å; V162-E175 HydrophobicContact CG2-CB 3.7Å; N165-E175 HydrophobicContact CB-CG 4.41Å; N165-E175 VanDerWaalsContact CB-OE1 3.3Å; N165-E175 WeakPolarHBondContact CB-OE1 3.2Å; N165-E175 VanDerWaalsContact CG-OE1 3.25Å; N165-E175 PolarHBondContact ND2-OE1 3.23Å; R169-E175 IonicContact NH1-OE1 3.53Å; A172-E175 WeakPolarHBondContact CA-OE2 2.88Å; A172-E175 HydrophobicContact CB-CB 4.44Å; A172-E175 WeakPolarHBondContact O-CB 2.95Å; A172-E175 PolarHBondContact O-N 3.25Å; M173-E175 PolarHBondContact O-N 3.04Å; E175-V177 VanDerWaalsContact C-N 3.29Å; E175-V177 PolarHBondContact O-N 2.88Å; E175-G178 PolarHBondContact O-N 3.07Å; E175-I179 WeakPolarHBondContact O-CG1 3.31Å; E175-I179 PolarHBondContact O-N 2.92Å
176L95.8Very high93.7Very high60 Ų6050.4 Ų50.431%0.31427%0.273SS..Hα-helixtrans-60.6-41.3174.6-68.5173.8000111.7W159 V162 A172 M173 I179 I180W159-L176 HydrophobicContact CZ3-CD2 4.32Å; V162-L176 HydrophobicContact CG1-CD2 4.15Å; V162-L176 HydrophobicContact CG2-CD2 4.17Å; A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 3.05Å; M173-L176 HydrophobicContact CE-CD1 3.98Å; M173-L176 PolarHBondContact O-N 3.46Å; L176-I179 PolarHBondContact O-N 3.37Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.39Å; L176-I180 PolarHBondContact O-N 3.06Å
177V95.9Very high93.6Very high18 Ų1848.8 Ų48.811%0.10926%0.262CS..Hα-helixtrans-62.5-45.3176.2169.40000111.3L111 V114 F120 P126 M173 E175 I179 I180 V181L111-V177 HydrophobicContact CD2-CG1 3.63Å; V114-V177 HydrophobicContact CB-CG1 4.46Å; V114-V177 HydrophobicContact CG1-CG1 3.7Å; V114-V177 HydrophobicContact CG1-CG2 4.22Å; F120-V177 HydrophobicContact CE2-CB 4.42Å; F120-V177 HydrophobicContact CE2-CG1 4.41Å; F120-V177 HydrophobicContact CE2-CG2 3.48Å; F120-V177 VanDerWaalsContact CE2-CG2 3.48Å; F120-V177 HydrophobicContact CZ-CG2 3.79Å; P126-V177 HydrophobicContact CB-CB 4.46Å; P126-V177 HydrophobicContact CB-CG1 4.1Å; M173-V177 WeakPolarHBondContact O-CG2 3.19Å; M173-V177 PolarHBondContact O-N 3.17Å; E175-V177 VanDerWaalsContact C-N 3.29Å; E175-V177 PolarHBondContact O-N 2.88Å; V177-I179 VanDerWaalsContact C-N 3.3Å; V177-I179 PolarHBondContact O-N 2.87Å; V177-I180 PolarHBondContact O-N 3.18Å; V177-V181 PolarHBondContact O-N 3.21Å
178G96.5Very high93.3Very high0 Ų045.2 Ų45.20%024%0.241CC..Hα-helixtrans-59.9-39.9176.500000112.8P126 T130 M174 E175 G182P126-G178 VanDerWaalsContact O-CA 3.3Å; P126-G178 WeakPolarHBondContact O-CA 3.31Å; T130-G178 WeakPolarHBondContact CA-O 3.38Å; T130-G178 WeakPolarHBondContact OG1-CA 3.22Å; T130-G178 PolarHBondContact OG1-O 2.99Å; M174-G178 PolarHBondContact O-N 3.15Å; E175-G178 PolarHBondContact O-N 3.07Å; G178-G182 PolarHBondContact O-N 2.86Å
179I97.1Very high93.2Very high8 Ų841 Ų414%0.04122%0.216CC..Hα-helixtrans-64.4-47.8174.6-70.7168.6000111L129 Y133 P158 W159 V162 E175 L176 V177 V181 G182 H183L129-I179 HydrophobicContact CD2-CD1 4.42Å; L129-I179 HydrophobicContact CD2-CG1 3.98Å; Y133-I179 HydrophobicContact CD2-CB 4.25Å; Y133-I179 HydrophobicContact CD2-CG1 4.07Å; Y133-I179 HydrophobicContact CD2-CG2 3.93Å; Y133-I179 HydrophobicContact CE2-CG2 3.8Å; P158-I179 HydrophobicContact CB-CD1 3.89Å; P158-I179 HydrophobicContact CB-CG1 3.82Å; W159-I179 HydrophobicContact CD2-CD1 4.3Å; W159-I179 HydrophobicContact CE3-CD1 4.05Å; W159-I179 HydrophobicContact CH2-CD1 4.45Å; W159-I179 HydrophobicContact CH2-CG2 3.99Å; W159-I179 HydrophobicContact CZ2-CG2 3.98Å; W159-I179 HydrophobicContact CZ3-CD1 4.12Å; V162-I179 HydrophobicContact CG2-CD1 3.5Å; E175-I179 WeakPolarHBondContact O-CG1 3.31Å; E175-I179 PolarHBondContact O-N 2.92Å; L176-I179 PolarHBondContact O-N 3.37Å; V177-I179 VanDerWaalsContact C-N 3.3Å; V177-I179 PolarHBondContact O-N 2.87Å; I179-V181 PolarHBondContact O-N 2.73Å; I179-G182 PolarHBondContact O-N 3.19Å; I179-H183 VanDerWaalsContact O-CB 3.31Å; I179-H183 WeakPolarHBondContact O-CB 3.29Å; I179-H183 PolarHBondContact O-N 2.88Å
180I96.6Very high93Very high114 Ų11436 Ų3659%0.58520%0.197SC*.Hα-helixtrans-61-48.1-179.1-69.9165000110.5L176 V177 H183 L184L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.39Å; L176-I180 PolarHBondContact O-N 3.06Å; V177-I180 PolarHBondContact O-N 3.18Å; I180-H183 PolarHBondContact O-N 2.82Å; I180-L184 WeakPolarHBondContact O-CB 3.47Å; I180-L184 PolarHBondContact O-N 3.24Å
181V96.7Very high92.6Very high2 Ų235.7 Ų35.71%0.01218%0.18CC..Hα-helixtrans-67.9-38.1179.71760000111.7T107 A110 L111 V114 T130 V177 I179 H183 L184 Y185T107-V181 HydrophobicContact CG2-CG1 4.32Å; A110-V181 HydrophobicContact CB-CG1 3.72Å; A110-V181 HydrophobicContact CB-CG2 4.39Å; L111-V181 HydrophobicContact CD2-CB 4.14Å; L111-V181 HydrophobicContact CD2-CG1 4.45Å; L111-V181 HydrophobicContact CD2-CG2 3.73Å; L111-V181 HydrophobicContact CG-CB 4.38Å; L111-V181 HydrophobicContact CG-CG1 4.14Å; L111-V181 HydrophobicContact CG-CG2 4.19Å; V114-V181 HydrophobicContact CG2-CG2 4.19Å; T130-V181 HydrophobicContact CG2-CG1 4.26Å; V177-V181 PolarHBondContact O-N 3.21Å; I179-V181 PolarHBondContact O-N 2.73Å; V181-H183 VanDerWaalsContact C-N 3.34Å; V181-L184 WeakPolarHBondContact O-CB 3.33Å; V181-L184 PolarHBondContact O-N 3.11Å; V181-Y185 PolarHBondContact O-N 3.49Å; V181-Y185 VanDerWaalsContact O-N 3.1Å
182G96.4Very high92Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-62.7-40.9173.200000112.6Y133 G178 I179 Y186Y133-G182 VanDerWaalsContact CD1-C 3.41Å; G178-G182 PolarHBondContact O-N 2.86Å; I179-G182 PolarHBondContact O-N 3.19Å; G182-Y186 VanDerWaalsContact O-CB 3.31Å; G182-Y186 WeakPolarHBondContact O-CB 3.5Å; G182-Y186 PolarHBondContact O-N 3.29Å
183H95.4Very high91.3Very high76 Ų7637.4 Ų37.435%0.35218%0.18SC..Hα-helixtrans-67.5-38.6175.6-164.567.4000111.8Y133 I179 I180 V181 Y185 Y186 F187Y133-H183 HydrophobicContact CE1-CB 3.85Å; Y133-H183 AromaticContact CE1-ND1 3.99Å; Y133-H183 AromaticContact CZ-ND1 3.71Å; Y133-H183 PolarHBondContact OH-ND1 2.9Å; I179-H183 VanDerWaalsContact O-CB 3.31Å; I179-H183 WeakPolarHBondContact O-CB 3.29Å; I179-H183 PolarHBondContact O-N 2.88Å; I180-H183 PolarHBondContact O-N 2.82Å; V181-H183 VanDerWaalsContact C-N 3.34Å; H183-Y185 PolarHBondContact O-N 2.96Å; H183-Y186 PolarHBondContact O-N 3.4Å; H183-F187 WeakPolarHBondContact O-CB 3.33Å; H183-F187 PolarHBondContact O-N 2.64Å
184L94.7Very high90.5Very high71 Ų7137.8 Ų37.837%0.37218%0.18SC..Hα-helixtrans-57.6-49.9175.3-172.469.6000111.5F106 A110 I180 V181 F187 F188F106-L184 HydrophobicContact CE1-CD2 4.44Å; F106-L184 HydrophobicContact CZ-CD2 4.46Å; A110-L184 HydrophobicContact CB-CD2 4.46Å; I180-L184 WeakPolarHBondContact O-CB 3.47Å; I180-L184 PolarHBondContact O-N 3.24Å; V181-L184 WeakPolarHBondContact O-CB 3.33Å; V181-L184 PolarHBondContact O-N 3.11Å; L184-F187 PolarHBondContact O-N 3.37Å; L184-F188 HydrophobicContact CD1-CD2 4.08Å; L184-F188 HydrophobicContact CD1-CE2 3.45Å; L184-F188 VanDerWaalsContact CD1-CE2 3.45Å; L184-F188 HydrophobicContact CD1-CZ 4.32Å; L184-F188 HydrophobicContact CG-CD2 4.08Å; L184-F188 HydrophobicContact CG-CE2 3.84Å; L184-F188 WeakPolarHBondContact O-CD2 3.21Å; L184-F188 PolarHBondContact O-N 2.78Å
185Y93.3Very high89.7Confident0 Ų041.8 Ų41.80%020%0.199CC..Hα-helixtrans-63.2-47.3175.7178.5-92.2000111.5M103 F106 T107 I134 V181 H183 F187 F188 V189 F190M103-Y185 HydrophobicContact CB-CE1 4.14Å; M103-Y185 HydrophobicContact CB-CE2 3.78Å; M103-Y185 WeakPolarHBondContact CB-OH 3.45Å; M103-Y185 HydrophobicContact CG-CD1 3.91Å; M103-Y185 HydrophobicContact CG-CD2 4.14Å; M103-Y185 HydrophobicContact CG-CE1 3.51Å; M103-Y185 HydrophobicContact CG-CE2 3.74Å; M103-Y185 HydrophobicContact CG-CG 4.21Å; M103-Y185 VanDerWaalsContact CG-CZ 3.4Å; M103-Y185 HydrophobicContact SD-CE1 4.3Å; F106-Y185 HydrophobicContact CB-CD2 4.4Å; F106-Y185 AromaticContact CD1-CD2 3.58Å; F106-Y185 HydrophobicContact CD1-CD2 3.58Å; F106-Y185 HydrophobicContact CD1-CG 4.34Å; F106-Y185 HydrophobicContact CE1-CD2 4.15Å; F106-Y185 HydrophobicContact CG-CD2 4.17Å; T107-Y185 HydrophobicContact CG2-CD2 4.32Å; T107-Y185 HydrophobicContact CG2-CG 4.11Å; I134-Y185 HydrophobicContact CD1-CD1 3.59Å; I134-Y185 HydrophobicContact CD1-CE1 4.33Å; I134-Y185 HydrophobicContact CD1-CG 4.11Å; I134-Y185 HydrophobicContact CG1-CD1 4.13Å; V181-Y185 PolarHBondContact O-N 3.49Å; V181-Y185 VanDerWaalsContact O-N 3.1Å; H183-Y185 PolarHBondContact O-N 2.96Å; Y185-F187 VanDerWaalsContact C-N 3.27Å; Y185-F187 PolarHBondContact O-N 3.34Å; Y185-F188 PolarHBondContact O-N 3.49Å; Y185-V189 HydrophobicContact CD1-CG2 4.44Å; Y185-V189 HydrophobicContact CD2-CG2 4.06Å; Y185-V189 HydrophobicContact CE1-CB 4.17Å; Y185-V189 HydrophobicContact CE1-CG1 4.43Å; Y185-V189 HydrophobicContact CE1-CG2 3.99Å; Y185-V189 HydrophobicContact CE2-CG2 3.59Å; Y185-V189 HydrophobicContact CG-CG2 4.47Å; Y185-V189 PolarHBondContact O-N 2.8Å; Y185-F190 HydrophobicContact CE1-CE2 4.06Å
186Y91.9Very high88.8Confident24 Ų2448.9 Ų48.99%0.09423%0.226CC..Hα-helixtrans-58.2-41.5179.9179.9-89.7000111.9Q137 L138 G182 H183 F190 Q191Q137-Y186 HydrophobicContact CB-CD2 3.94Å; Q137-Y186 HydrophobicContact CB-CE2 3.97Å; Q137-Y186 HydrophobicContact CB-CG 4.42Å; Q137-Y186 HydrophobicContact CG-CD1 3.79Å; Q137-Y186 HydrophobicContact CG-CD2 3.46Å; Q137-Y186 VanDerWaalsContact CG-CD2 3.46Å; Q137-Y186 HydrophobicContact CG-CE1 3.57Å; Q137-Y186 HydrophobicContact CG-CE2 3.22Å; Q137-Y186 HydrophobicContact CG-CG 3.76Å; L138-Y186 HydrophobicContact CD2-CD2 4.5Å; L138-Y186 HydrophobicContact CD2-CE2 4Å; G182-Y186 VanDerWaalsContact O-CB 3.31Å; G182-Y186 WeakPolarHBondContact O-CB 3.5Å; G182-Y186 PolarHBondContact O-N 3.29Å; H183-Y186 PolarHBondContact O-N 3.4Å; Y186-F190 HydrophobicContact CD2-CB 4.24Å; Y186-F190 AromaticContact CD2-CD2 3.41Å; Y186-F190 HydrophobicContact CD2-CD2 3.41Å; Y186-F190 VanDerWaalsContact CD2-CD2 3.41Å; Y186-F190 HydrophobicContact CD2-CE2 4.16Å; Y186-F190 HydrophobicContact CD2-CG 4.13Å; Y186-F190 HydrophobicContact CE1-CB 4.39Å; Y186-F190 HydrophobicContact CE2-CB 3.86Å; Y186-F190 AromaticContact CE2-CD2 3.69Å; Y186-F190 HydrophobicContact CE2-CD2 3.69Å; Y186-F190 AromaticContact CE2-CG 3.95Å; Y186-F190 HydrophobicContact CE2-CG 3.95Å; Y186-F190 HydrophobicContact CG-CD2 4.08Å; Y186-F190 WeakPolarHBondContact O-CB 3.44Å; Y186-F190 PolarHBondContact O-N 3.04Å; Y186-Q191 HydrophobicContact CE1-CB 4.37Å; Y186-Q191 PolarHBondContact O-N 3.25Å
187F90.4Very high87.2Confident62 Ų6249.5 Ų49.527%0.27225%0.247SC..Iπ-helixtrans-61.6-52.7178.4178-98.6000111.2H183 L184 Y185 V189 Q191 Y192H183-F187 WeakPolarHBondContact O-CB 3.33Å; H183-F187 PolarHBondContact O-N 2.64Å; L184-F187 PolarHBondContact O-N 3.37Å; Y185-F187 VanDerWaalsContact C-N 3.27Å; Y185-F187 PolarHBondContact O-N 3.34Å; F187-V189 VanDerWaalsContact C-N 3.34Å; F187-V189 PolarHBondContact O-N 2.97Å; F187-Q191 HydrophobicContact CD2-CB 3.99Å; F187-Q191 HydrophobicContact CD2-CG 4.12Å; F187-Q191 HydrophobicContact CE2-CG 4.39Å; F187-Q191 PolarHBondContact O-N 2.94Å; F187-Y192 HydrophobicContact CE1-CD2 4.1Å; F187-Y192 HydrophobicContact CZ-CD2 4.14Å; F187-Y192 VanDerWaalsContact O-CB 3.3Å; F187-Y192 WeakPolarHBondContact O-CB 3.3Å; F187-Y192 PolarHBondContact O-N 3.31Å
188F87.9Confident85.6Confident59 Ų5950.3 Ų50.326%0.25926%0.259SS..Iπ-helixtrans-69.2-28.7-176.8-75.6-58.3000114.5F106 L184 Y185 I201 L202F106-F188 HydrophobicContact CZ-CD2 4.25Å; L184-F188 HydrophobicContact CD1-CD2 4.08Å; L184-F188 HydrophobicContact CD1-CE2 3.45Å; L184-F188 VanDerWaalsContact CD1-CE2 3.45Å; L184-F188 HydrophobicContact CD1-CZ 4.32Å; L184-F188 HydrophobicContact CG-CD2 4.08Å; L184-F188 HydrophobicContact CG-CE2 3.84Å; L184-F188 WeakPolarHBondContact O-CD2 3.21Å; L184-F188 PolarHBondContact O-N 2.78Å; Y185-F188 PolarHBondContact O-N 3.49Å; F188-I201 HydrophobicContact CD1-CD1 4.02Å; F188-I201 HydrophobicContact CE1-CD1 4.42Å; F188-L202 HydrophobicContact CB-CD1 3.5Å; F188-L202 HydrophobicContact CB-CG 4.06Å; F188-L202 HydrophobicContact CD2-CD1 4.33Å; F188-L202 HydrophobicContact CG-CD1 4.18Å
189V85.9Confident83.9Confident4 Ų457.4 Ų57.42%0.02429%0.292CS..Iπ-helixtrans-95.7-36.7-175.8177.80000113.2Y185 F187 P193 L202 F222Y185-V189 HydrophobicContact CD1-CG2 4.44Å; Y185-V189 HydrophobicContact CD2-CG2 4.06Å; Y185-V189 HydrophobicContact CE1-CB 4.17Å; Y185-V189 HydrophobicContact CE1-CG1 4.43Å; Y185-V189 HydrophobicContact CE1-CG2 3.99Å; Y185-V189 HydrophobicContact CE2-CG2 3.59Å; Y185-V189 HydrophobicContact CG-CG2 4.47Å; Y185-V189 PolarHBondContact O-N 2.8Å; F187-V189 VanDerWaalsContact C-N 3.34Å; F187-V189 PolarHBondContact O-N 2.97Å; V189-P193 WeakPolarHBondContact O-CG 3.44Å; V189-L202 HydrophobicContact CG2-CB 4.2Å; V189-L202 HydrophobicContact CG2-CD1 4.09Å; V189-F222 HydrophobicContact CG1-CE1 4.45Å; V189-F222 HydrophobicContact CG1-CZ 4.39Å
190F84.2Confident82.4Confident7 Ų757.4 Ų57.43%0.03129%0.293CS..Iπ-helixtrans-112.5-48.7-174.6-56.2-72.5000112.9M92 L138 Y185 Y186 Q194M92-F190 HydrophobicContact CE-CD1 4.37Å; M92-F190 HydrophobicContact CE-CE1 3.44Å; M92-F190 VanDerWaalsContact CE-CE1 3.44Å; M92-F190 HydrophobicContact CE-CZ 3.67Å; M92-F190 HydrophobicContact SD-CE1 3.58Å; M92-F190 VanDerWaalsContact SD-CE1 3.58Å; M92-F190 HydrophobicContact SD-CE2 4.3Å; M92-F190 HydrophobicContact SD-CZ 3.23Å; M92-F190 WeakPolarHBondContact SD-CZ 3.33Å; L138-F190 HydrophobicContact CD1-CZ 4.41Å; L138-F190 HydrophobicContact CD2-CD1 4.17Å; L138-F190 HydrophobicContact CD2-CD2 4.15Å; L138-F190 HydrophobicContact CD2-CE1 4.02Å; L138-F190 HydrophobicContact CD2-CE2 3.99Å; L138-F190 HydrophobicContact CD2-CG 4.26Å; L138-F190 HydrophobicContact CD2-CZ 3.95Å; Y185-F190 HydrophobicContact CE1-CE2 4.06Å; Y186-F190 HydrophobicContact CD2-CB 4.24Å; Y186-F190 AromaticContact CD2-CD2 3.41Å; Y186-F190 HydrophobicContact CD2-CD2 3.41Å; Y186-F190 VanDerWaalsContact CD2-CD2 3.41Å; Y186-F190 HydrophobicContact CD2-CE2 4.16Å; Y186-F190 HydrophobicContact CD2-CG 4.13Å; Y186-F190 HydrophobicContact CE1-CB 4.39Å; Y186-F190 HydrophobicContact CE2-CB 3.86Å; Y186-F190 AromaticContact CE2-CD2 3.69Å; Y186-F190 HydrophobicContact CE2-CD2 3.69Å; Y186-F190 AromaticContact CE2-CG 3.95Å; Y186-F190 HydrophobicContact CE2-CG 3.95Å; Y186-F190 HydrophobicContact CG-CD2 4.08Å; Y186-F190 WeakPolarHBondContact O-CB 3.44Å; Y186-F190 PolarHBondContact O-N 3.04Å; F190-Q194 WeakPolarHBondContact O-CB 3.4Å; F190-Q194 WeakPolarHBondContact O-CG 3.47Å; F190-Q194 PolarHBondContact O-N 3.03Å; F190-Q194 PolarHBondContact O-NE2 2.85Å
191Q80Confident81.1Confident52 Ų5256.1 Ų56.124%0.24329%0.287CS..Iπ-helixtrans-75.8-47.1-172.3-168.3170.2-14.400112.5Y186 F187 Q194 E195Y186-Q191 HydrophobicContact CE1-CB 4.37Å; Y186-Q191 PolarHBondContact O-N 3.25Å; F187-Q191 HydrophobicContact CD2-CB 3.99Å; F187-Q191 HydrophobicContact CD2-CG 4.12Å; F187-Q191 HydrophobicContact CE2-CG 4.39Å; F187-Q191 PolarHBondContact O-N 2.94Å; Q191-Q194 PolarHBondContact O-N 3.31Å; Q191-Q194 VanDerWaalsContact O-N 3.14Å; Q191-E195 HydrophobicContact CG-CG 4.3Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.3Å; Q191-E195 PolarHBondContact NE2-OE1 3.23Å; Q191-E195 PolarHBondContact O-N 3.37Å
192Y80Confident80Confident78 Ų7857.4 Ų57.431%0.30629%0.293SS..Hα-helixtrans-60.8-45-178.1-173.9-82.9000112.7F187 Q194 E195 Y196 I201F187-Y192 HydrophobicContact CE1-CD2 4.1Å; F187-Y192 HydrophobicContact CZ-CD2 4.14Å; F187-Y192 VanDerWaalsContact O-CB 3.3Å; F187-Y192 WeakPolarHBondContact O-CB 3.3Å; F187-Y192 PolarHBondContact O-N 3.31Å; Y192-Q194 VanDerWaalsContact C-N 3.31Å; Y192-Q194 PolarHBondContact O-N 2.86Å; Y192-E195 PolarHBondContact O-N 3.41Å; Y192-Y196 AromaticContact CD2-CD2 3.7Å; Y192-Y196 HydrophobicContact CD2-CD2 3.7Å; Y192-Y196 HydrophobicContact CD2-CE2 4Å; Y192-Y196 AromaticContact CE2-CD2 3.71Å; Y192-Y196 HydrophobicContact CE2-CD2 3.71Å; Y192-Y196 HydrophobicContact CE2-CE2 4.04Å; Y192-Y196 HydrophobicContact CE2-CG 4.36Å; Y192-Y196 HydrophobicContact CG-CD2 4.16Å; Y192-Y196 PolarHBondContact O-N 3.38Å; Y192-Y196 VanDerWaalsContact O-N 3.08Å; Y192-I201 HydrophobicContact CD1-CD1 3.34Å; Y192-I201 HydrophobicContact CD1-CG1 3.72Å; Y192-I201 HydrophobicContact CD2-CD1 4.06Å; Y192-I201 HydrophobicContact CE1-CD1 3.25Å; Y192-I201 HydrophobicContact CE1-CG1 3.65Å; Y192-I201 HydrophobicContact CE2-CD1 3.97Å; Y192-I201 HydrophobicContact CG-CD1 3.76Å
193P78.2Confident79Confident14 Ų1463.3 Ų63.39%0.09132%0.319CS..Hα-helixtrans-63.2-34.7174.4-28.441.9000113.7V189 G197 G198 A200V189-P193 WeakPolarHBondContact O-CG 3.44Å; P193-G197 WeakPolarHBondContact O-CA 3.45Å; P193-G197 PolarHBondContact O-N 3.17Å; P193-G198 WeakPolarHBondContact CB-O 3.45Å; P193-G198 PolarHBondContact O-N 3.38Å; P193-A200 HydrophobicContact CG-CB 4.17Å
194Q76.4Confident78.3Confident112 Ų11260.1 Ų60.152%0.52331%0.305SS..Hα-helixtrans-71.5-40.1179.9-74.1171.530.900112.6F190 Q191 Y192F190-Q194 WeakPolarHBondContact O-CB 3.4Å; F190-Q194 WeakPolarHBondContact O-CG 3.47Å; F190-Q194 PolarHBondContact O-N 3.03Å; F190-Q194 PolarHBondContact O-NE2 2.85Å; Q191-Q194 PolarHBondContact O-N 3.31Å; Q191-Q194 VanDerWaalsContact O-N 3.14Å; Y192-Q194 VanDerWaalsContact C-N 3.31Å; Y192-Q194 PolarHBondContact O-N 2.86Å
195E76.1Confident77.7Confident109 Ų10958.8 Ų58.851%0.50930%0.301SS..Hα-helixtrans-81.9-38.3-176.4-70.5177.9-173.700112.9Q191 Y192Q191-E195 HydrophobicContact CG-CG 4.3Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.3Å; Q191-E195 PolarHBondContact NE2-OE1 3.23Å; Q191-E195 PolarHBondContact O-N 3.37Å; Y192-E195 PolarHBondContact O-N 3.41Å
196Y74.4Confident77.2Confident156 Ų15661.1 Ų61.161%0.61233%0.325SS*.Hα-helixtrans-105.75.9-173.4-63.4-79000114.1Y192 G198Y192-Y196 AromaticContact CD2-CD2 3.7Å; Y192-Y196 HydrophobicContact CD2-CD2 3.7Å; Y192-Y196 HydrophobicContact CD2-CE2 4Å; Y192-Y196 AromaticContact CE2-CD2 3.71Å; Y192-Y196 HydrophobicContact CE2-CD2 3.71Å; Y192-Y196 HydrophobicContact CE2-CE2 4.04Å; Y192-Y196 HydrophobicContact CE2-CG 4.36Å; Y192-Y196 HydrophobicContact CG-CD2 4.16Å; Y192-Y196 PolarHBondContact O-N 3.38Å; Y192-Y196 VanDerWaalsContact O-N 3.08Å; Y196-G198 PolarHBondContact O-N 3.23Å
197G62.5Low76.9Confident74 Ų7465.9 Ų65.976%0.76335%0.346SS*.  trans62.927.2175.300000114.4P193P193-G197 WeakPolarHBondContact O-CA 3.45Å; P193-G197 PolarHBondContact O-N 3.17Å
198G62.1Low76.5Confident34 Ų3463.1 Ų63.135%0.35133%0.334SS..PPolyproline II helixtrans-102159.4-172.900000114.1P193 Y196P193-G198 WeakPolarHBondContact CB-O 3.45Å; P193-G198 PolarHBondContact O-N 3.38Å; Y196-G198 PolarHBondContact O-N 3.23Å
199Q62.2Low76.3Confident150 Ų15063.6 Ų63.670%0.70134%0.335SS*.PPolyproline II helixtrans-60.3144.9160.6-63.6179.93.700108.7I201Q199-I201 PolarHBondContact O-N 3.21Å
200A65.9Low76.2Confident7 Ų773.8 Ų73.86%0.05837%0.373CS..PPolyproline II helixtrans-50.8126.2176.400000111.2P193 L202 F222P193-A200 HydrophobicContact CG-CB 4.17Å; A200-L202 PolarHBondContact O-N 3.42Å; A200-F222 HydrophobicContact CB-CD1 3.6Å; A200-F222 HydrophobicContact CB-CE1 3.53Å
201I68.4Low76.2Confident87 Ų8779 Ų7945%0.44640%0.4SS..SBendtrans-58.2-43.3179.6-69.3172.8000109.5F188 Y192 Q199 K203F188-I201 HydrophobicContact CD1-CD1 4.02Å; F188-I201 HydrophobicContact CE1-CD1 4.42Å; Y192-I201 HydrophobicContact CD1-CD1 3.34Å; Y192-I201 HydrophobicContact CD1-CG1 3.72Å; Y192-I201 HydrophobicContact CD2-CD1 4.06Å; Y192-I201 HydrophobicContact CE1-CD1 3.25Å; Y192-I201 HydrophobicContact CE1-CG1 3.65Å; Y192-I201 HydrophobicContact CE2-CD1 3.97Å; Y192-I201 HydrophobicContact CG-CD1 3.76Å; Q199-I201 PolarHBondContact O-N 3.21Å; I201-K203 PolarHBondContact O-N 3.47Å
202L72.4Confident76.4Confident30 Ų3079.9 Ų79.916%0.15740%0.403CS..SBendtrans-92.986.7-176.3-67.7174.8000110.2F102 F106 F188 V189 A200 F222F102-L202 HydrophobicContact CE1-CB 3.86Å; F102-L202 HydrophobicContact CZ-CB 4.12Å; F102-L202 HydrophobicContact CZ-CD2 4.42Å; F106-L202 HydrophobicContact CD1-CD1 4.49Å; F106-L202 HydrophobicContact CD2-CD1 3.93Å; F106-L202 HydrophobicContact CD2-CD2 4.04Å; F106-L202 HydrophobicContact CE1-CD1 4.17Å; F106-L202 HydrophobicContact CE2-CD1 3.58Å; F106-L202 HydrophobicContact CE2-CD2 3.72Å; F106-L202 HydrophobicContact CE2-CG 4.32Å; F106-L202 HydrophobicContact CG-CD1 4.37Å; F106-L202 HydrophobicContact CZ-CD1 3.71Å; F188-L202 HydrophobicContact CB-CD1 3.5Å; F188-L202 HydrophobicContact CB-CG 4.06Å; F188-L202 HydrophobicContact CD2-CD1 4.33Å; F188-L202 HydrophobicContact CG-CD1 4.18Å; V189-L202 HydrophobicContact CG2-CB 4.2Å; V189-L202 HydrophobicContact CG2-CD1 4.09Å; A200-L202 PolarHBondContact O-N 3.42Å; L202-F222 WeakPolarHBondContact O-CE1 3.23Å; L202-F222 WeakPolarHBondContact O-CZ 3.46Å
203K75.4Confident76.4Confident123 Ų12380.8 Ų80.854%0.53542%0.419SS..PPolyproline II helixtrans-83.7135.9172.4-65.7-178.2-177.6174.70110.9I201I201-K203 PolarHBondContact O-N 3.47Å
204T80.9Confident76.4Confident10 Ų1083.3 Ų83.36%0.06143%0.431CS..PPolyproline II helixtrans-56.1122.4172.1-59.90000110.2A98 D99 F102 L208 Y209 F222A98-T204 HydrophobicContact CB-CG2 4.06Å; D99-T204 WeakPolarHBondContact OD1-CB 3.38Å; D99-T204 PolarHBondContact OD1-OG1 3.29Å; F102-T204 HydrophobicContact CB-CG2 4.03Å; F102-T204 HydrophobicContact CG-CG2 4.47Å; T204-L208 HydrophobicContact CG2-CB 3.93Å; T204-L208 HydrophobicContact CG2-CD1 3.99Å; T204-Y209 WeakPolarHBondContact CB-OH 3.08Å; T204-Y209 HydrophobicContact CG2-CD2 4.26Å; T204-Y209 HydrophobicContact CG2-CE1 4.29Å; T204-Y209 HydrophobicContact CG2-CE2 3.73Å; T204-F222 WeakPolarHBondContact OG1-CE2 3.32Å
205P83.6Confident76.4Confident43 Ų4384 Ų8428%0.27944%0.435SS..PPolyproline II helixtrans-64.8139.4-178.126.7-36.2000110.8F102 F207 L208F102-P205 HydrophobicContact CD2-CG 4.17Å; F102-P205 HydrophobicContact CE2-CG 4.41Å; P205-F207 HydrophobicContact CB-CD1 3.63Å; P205-F207 HydrophobicContact CB-CE1 3.51Å; P205-F207 HydrophobicContact CG-CD1 3.85Å; P205-F207 HydrophobicContact CG-CE1 3.28Å; P205-F207 HydrophobicContact CG-CZ 3.93Å; P205-F207 PolarHBondContact O-N 2.76Å; P205-L208 HydrophobicContact CG-CD1 3.81Å; P205-L208 HydrophobicContact CG-CG 4.12Å; P205-L208 PolarHBondContact O-N 2.87Å
206G81.3Confident75.4Confident49 Ų4991 Ų9151%0.50546%0.456SS..Hα-helixtrans-56.8-25.1-171.200000115.3L208 Y209 R210G206-L208 VanDerWaalsContact C-N 3.27Å; G206-L208 PolarHBondContact O-N 3.37Å; G206-Y209 PolarHBondContact O-N 2.96Å; G206-R210 PolarHBondContact O-N 3.09Å
207F86.3Confident74.6Confident123 Ų12387.1 Ų87.154%0.53946%0.464SS..Hα-helixtrans-64.6-30.9176.479.6-96000112.6P205 R210 L211P205-F207 HydrophobicContact CB-CD1 3.63Å; P205-F207 HydrophobicContact CB-CE1 3.51Å; P205-F207 HydrophobicContact CG-CD1 3.85Å; P205-F207 HydrophobicContact CG-CE1 3.28Å; P205-F207 HydrophobicContact CG-CZ 3.93Å; P205-F207 PolarHBondContact O-N 2.76Å; F207-R210 WeakPolarHBondContact O-CB 3.49Å; F207-R210 PolarHBondContact O-N 2.89Å; F207-R210 VanDerWaalsContact O-N 3.15Å; F207-L211 PolarHBondContact O-N 3.16Å; F207-L211 VanDerWaalsContact O-N 3.1Å
208L82.6Confident74.3Confident4 Ų486.6 Ų86.62%0.02144%0.443CS..Hα-helixtrans-69-35.4178.2-72.6176.1000111.6A98 V101 F102 L105 T204 P205 G206 R210 L211 F212A98-L208 HydrophobicContact CB-CB 3.96Å; V101-L208 HydrophobicContact CG1-CD1 4.48Å; V101-L208 HydrophobicContact CG1-CD2 3.79Å; F102-L208 HydrophobicContact CB-CD1 3.67Å; F102-L208 HydrophobicContact CD2-CD1 4.2Å; F102-L208 HydrophobicContact CG-CD1 4.37Å; L105-L208 HydrophobicContact CD1-CD1 4.41Å; L105-L208 HydrophobicContact CD1-CD2 4.38Å; T204-L208 HydrophobicContact CG2-CB 3.93Å; T204-L208 HydrophobicContact CG2-CD1 3.99Å; P205-L208 HydrophobicContact CG-CD1 3.81Å; P205-L208 HydrophobicContact CG-CG 4.12Å; P205-L208 PolarHBondContact O-N 2.87Å; G206-L208 VanDerWaalsContact C-N 3.27Å; G206-L208 PolarHBondContact O-N 3.37Å; L208-R210 PolarHBondContact O-N 3.3Å; L208-L211 PolarHBondContact O-N 2.68Å; L208-F212 PolarHBondContact O-N 3.26Å
209Y83.8Confident73.6Confident70 Ų7091.5 Ų91.528%0.27547%0.466SS..Hα-helixtrans-69.6-23172.5-65.4-62.5000113A98 D99 T204 G206 F212 P213 N214A98-Y209 HydrophobicContact CB-CD1 3.44Å; A98-Y209 VanDerWaalsContact CB-CD1 3.44Å; A98-Y209 HydrophobicContact CB-CE1 3.63Å; A98-Y209 HydrophobicContact CB-CG 4.15Å; D99-Y209 PolarHBondContact OD1-OH 3.32Å; T204-Y209 WeakPolarHBondContact CB-OH 3.08Å; T204-Y209 HydrophobicContact CG2-CD2 4.26Å; T204-Y209 HydrophobicContact CG2-CE1 4.29Å; T204-Y209 HydrophobicContact CG2-CE2 3.73Å; G206-Y209 PolarHBondContact O-N 2.96Å; Y209-F212 CarbonylContact O-C 3.57Å; Y209-P213 VanDerWaalsContact O-CA 3.31Å; Y209-P213 WeakPolarHBondContact O-CA 3.38Å; Y209-N214 WeakPolarHBondContact CD1-OD1 3.36Å; Y209-N214 WeakPolarHBondContact CE1-ND2 3.36Å; Y209-N214 WeakPolarHBondContact CE1-OD1 3.46Å
210R83.1Confident73.2Confident218 Ų21888.2 Ų88.282%0.82346%0.456SS*.Hα-helixtrans-73.7-37.6171.9-63.4178.6-176.2179.6-0.3111.4G206 F207 L208G206-R210 PolarHBondContact O-N 3.09Å; F207-R210 WeakPolarHBondContact O-CB 3.49Å; F207-R210 PolarHBondContact O-N 2.89Å; F207-R210 VanDerWaalsContact O-N 3.15Å; L208-R210 PolarHBondContact O-N 3.3Å
211L83.9Confident72.7Confident116 Ų11689.5 Ų89.561%0.60747%0.47SS*.Hα-helixtrans-78.5-36.7178.3-170.960.8000112.2F207 L208F207-L211 PolarHBondContact O-N 3.16Å; F207-L211 VanDerWaalsContact O-N 3.1Å; L208-L211 PolarHBondContact O-N 2.68Å
212F85.2Confident71.9Confident71 Ų7187.9 Ų87.931%0.31146%0.46SS..SBendtrans-129.381.8179.7-56.1-73.2000110.2T97 A98 V101 L208 Y209 N214T97-F212 HydrophobicContact CG2-CB 4.36Å; T97-F212 HydrophobicContact CG2-CD1 3.98Å; T97-F212 HydrophobicContact CG2-CG 4.13Å; A98-F212 HydrophobicContact CB-CB 4.24Å; V101-F212 HydrophobicContact CG1-CE2 4.35Å; V101-F212 HydrophobicContact CG2-CD2 4.14Å; V101-F212 HydrophobicContact CG2-CE2 3.87Å; V101-F212 HydrophobicContact CG2-CZ 4.37Å; L208-F212 PolarHBondContact O-N 3.26Å; Y209-F212 CarbonylContact O-C 3.57Å; F212-N214 PolarHBondContact O-N 3.07Å
213P79.4Confident71.2Confident96 Ų9687.4 Ų87.462%0.62346%0.462SS*.  trans-58.7136.5176.6-22.733.1000111.2Y209 Q215Y209-P213 VanDerWaalsContact O-CA 3.31Å; Y209-P213 WeakPolarHBondContact O-CA 3.38Å; P213-Q215 PolarHBondContact O-N 3.49Å
214N79.2Confident70.3Confident67 Ų6787.1 Ų87.136%0.35846%0.463SS..  trans-61.7135.7174.9-67.5-21.6000109.9G95 Y209 F212 R216G95-N214 WeakPolarHBondContact O-CA 3.16Å; Y209-N214 WeakPolarHBondContact CD1-OD1 3.36Å; Y209-N214 WeakPolarHBondContact CE1-ND2 3.36Å; Y209-N214 WeakPolarHBondContact CE1-OD1 3.46Å; F212-N214 PolarHBondContact O-N 3.07Å; N214-R216 PolarHBondContact O-N 2.85Å; N214-R216 VanDerWaalsContact O-N 3.15Å
215Q75.5Confident69Low127 Ų12788.7 Ų88.759%0.59348%0.477SS*.  trans-66.8115.5174.1-63.7-179.510.700108.2G95 P213 G217G95-Q215 PolarHBondContact O-N 3.34Å; P213-Q215 PolarHBondContact O-N 3.49Å; Q215-G217 PolarHBondContact O-N 3.43Å; Q215-G217 VanDerWaalsContact O-N 3.16Å
216R54.8Low67.7Low256 Ų25691.4 Ų91.497%0.96650%0.495SS*.THydrogen-bonded Turntrans-56.6118.6-177-69.8179.9177.5177.9-1.1109.6N214N214-R216 PolarHBondContact O-N 2.85Å; N214-R216 VanDerWaalsContact O-N 3.15Å
217G57.5Low66.2Low74 Ų7499.2 Ų99.276%0.76351%0.509SS*.THydrogen-bonded Turntrans129.5-1517700000115.3Q215Q215-G217 PolarHBondContact O-N 3.43Å; Q215-G217 VanDerWaalsContact O-N 3.16Å
218I55.8Low64.4Low63 Ų6397.7 Ų97.732%0.32352%0.519SS..  trans-11278.3177.4-51.5178000109L94L94-I218 HydrophobicContact CB-CD1 4.46Å; L94-I218 HydrophobicContact CD2-CD1 4.08Å; L94-I218 HydrophobicContact CG-CD1 3.87Å; L94-I218 WeakPolarHBondContact O-CG2 3.33Å
219T48.1Very low62.7Low138 Ų138108.4 Ų108.485%0.84756%0.559SS**  trans-97.878.2173.755.20000109.8
220T55.1Low60.7Low80 Ų80113.2 Ų113.249%0.49158%0.584SS.*PPolyproline II helixtrans-86.3136.7154.451.90000107.3R96R96-T220 PolarHBondContact NH1-O 3.33Å; R96-T220 PolarHBondContact NH1-OG1 3.07Å; R96-T220 VanDerWaalsContact NH1-OG1 3.11Å
221G53.9Low58.9Low34 Ų34108.2 Ų108.235%0.35158%0.58SS.*PPolyproline II helixtrans-61.9143177.700000111.1R96 G223 E224R96-G221 PolarHBondContact NH1-O 3.17Å; G221-G223 PolarHBondContact O-N 3.39Å; G221-E224 PolarHBondContact O-N 2.95Å
222F52.2Low57.1Low53 Ų53109.8 Ų109.823%0.23259%0.587CS.*THydrogen-bonded Turntrans-66.2118.4169.1-170.1-85.1000109R96 D99 V189 A200 L202 T204R96-F222 VanDerWaalsContact NH2-CA 3.26Å; R96-F222 VanDerWaalsContact NH2-CD2 3.33Å; D99-F222 HydrophobicContact CB-CD2 4.33Å; D99-F222 HydrophobicContact CB-CE2 4.09Å; V189-F222 HydrophobicContact CG1-CE1 4.45Å; V189-F222 HydrophobicContact CG1-CZ 4.39Å; A200-F222 HydrophobicContact CB-CD1 3.6Å; A200-F222 HydrophobicContact CB-CE1 3.53Å; L202-F222 WeakPolarHBondContact O-CE1 3.23Å; L202-F222 WeakPolarHBondContact O-CZ 3.46Å; T204-F222 WeakPolarHBondContact OG1-CE2 3.32Å
223G57.2Low55.3Low20 Ų20111.9 Ų111.921%0.20661%0.606CS.*THydrogen-bonded Turntrans94.9-3-177.800000115.6G221G221-G223 PolarHBondContact O-N 3.39Å
224E57.3Low53.7Low118 Ų118112.6 Ų112.655%0.55161%0.614SS**  trans-84.4117.2169-115.7177.6155.100109.2G221G221-E224 PolarHBondContact O-N 2.95Å
225A54.3Low52.2Low43 Ų43115 Ų11536%0.35563%0.631SS.*  trans-59.7143.6169.700000109.4R227A225-R227 PolarHBondContact O-N 3.23Å
226P55.2Low50.7Low99 Ų99112.5 Ų112.564%0.64364%0.639SS**  trans-55.5113.7174.3-18.328.9000108.5M92 A228M92-P226 HydrophobicContact CE-CG 4.32Å; P226-A228 PolarHBondContact O-N 3.37Å
227R51Low50.2Low213 Ų213111.5 Ų111.580%0.80464%0.635SS**  trans-56.6127.7168.4-74-175.8-177.9175.33106.5A225 R229A225-R227 PolarHBondContact O-N 3.23Å; R227-R229 PolarHBondContact O-N 3.48Å
228A46.9Very low49.9Very low92 Ų92117 Ų11776%0.7664%0.639SS**  trans-46.2120.8172.100000107.8P226 Q230P226-A228 PolarHBondContact O-N 3.37Å; A228-Q230 PolarHBondContact O-N 2.83Å
229R47Very low49.5Very low229 Ų229120.2 Ų120.286%0.86466%0.664SS**  trans-56.2107-178.3-166.5175.3-170.7171.72106.6R227R227-R229 PolarHBondContact O-N 3.48Å
230Q42Very low49.6Very low170 Ų170116.9 Ų116.979%0.79466%0.657SS**  trans-55.7128.4171.5-77.6-179.3-10.500106.3A228 I232A228-Q230 PolarHBondContact O-N 2.83Å; Q230-I232 PolarHBondContact O-N 3.49Å; Q230-I232 VanDerWaalsContact O-N 3.14Å
231P45.2Very low49.3Very low113 Ų113121.9 Ų121.973%0.73467%0.674SS**  trans-54.8127.6171.320.1-26.6000106.4T233P231-T233 PolarHBondContact O-N 2.94Å
232I47.3Very low49.4Very low149 Ų149123.3 Ų123.376%0.76469%0.689SS**  trans-61.796.3172.4-61.4171.6000104.8Q230 S234Q230-I232 PolarHBondContact O-N 3.49Å; Q230-I232 VanDerWaalsContact O-N 3.14Å; I232-S234 VanDerWaalsContact C-N 3.32Å; I232-S234 PolarHBondContact O-N 3.2Å
233T45.9Very low49.7Very low115 Ų115129 Ų12971%0.70672%0.716SS**  trans-63105162.8-9.80000104.3P231 T235P231-T233 PolarHBondContact O-N 2.94Å; T233-T235 PolarHBondContact O-N 3.48Å
234S46.7Very low50Low112 Ų112134.9 Ų134.978%0.78375%0.748SS**  trans-67.469.9169.760.40000108.6I232 G236I232-S234 VanDerWaalsContact C-N 3.32Å; I232-S234 PolarHBondContact O-N 3.2Å; S234-G236 PolarHBondContact O-N 3.06Å; S234-G236 VanDerWaalsContact O-N 3.12Å
235T47.9Very low49.9Very low117 Ų117137.2 Ų137.272%0.71876%0.763SS**  trans-79.287.2160.639.10000106.1T233 R237T233-T235 PolarHBondContact O-N 3.48Å; T235-R237 PolarHBondContact O-N 3.48Å
236G43.4Very low50Low74 Ų74138.2 Ų138.276%0.76378%0.778SS**  trans-58.888.1168.600000109.5S234 F238S234-G236 PolarHBondContact O-N 3.06Å; S234-G236 VanDerWaalsContact O-N 3.12Å; G236-F238 PolarHBondContact O-N 3.39Å
237R44.1Very low49.5Very low235 Ų235141.3 Ų141.389%0.88779%0.789SS**  trans-9587.6170.1-159.2175-170.3175.72107T235 P239T235-R237 PolarHBondContact O-N 3.48Å; R237-P239 WeakPolarHBondContact O-CD 3.13Å
238F51.4Low49.8Very low191 Ų191138.9 Ų138.984%0.83879%0.792SS**  trans-51.3121.4164.3-88.2-94000109.1G236 G240G236-F238 PolarHBondContact O-N 3.39Å; F238-G240 PolarHBondContact O-N 3.38Å; F238-G240 VanDerWaalsContact O-N 3.1Å
239P48Very low49.9Very low130 Ų130147.7 Ų147.784%0.84482%0.817SS**  trans-83.676.116429.6-19.7000107.1R237 H241R237-P239 WeakPolarHBondContact O-CD 3.13Å; P239-H241 PolarHBondContact O-N 2.91Å
240G49.8Very low50.1Low68 Ų68143.6 Ų143.670%0.70182%0.815SS**  trans-78.6104.3170.100000109.2F238 G242F238-G240 PolarHBondContact O-N 3.38Å; F238-G240 VanDerWaalsContact O-N 3.1Å; G240-G242 PolarHBondContact O-N 2.97Å
241H49.3Very low50.5Low184 Ų184142.2 Ų142.285%0.85282%0.816SS**  trans-70.494.2173.9-139.4-35.6000108.6P239P239-H241 PolarHBondContact O-N 2.91Å
242G56.1Low50.8Low65 Ų65143.8 Ų143.867%0.6782%0.82SS**  trans-94.7104.217400000110.4G240G240-G242 PolarHBondContact O-N 2.97Å
243Q58.7Low51Low173 Ų173143.5 Ų143.581%0.80882%0.824SS**  trans-72.3119.4168.4-116.9137.4-32.900109.2
244V62.5Low51.3Low142 Ų142145.3 Ų145.386%0.86183%0.831SS**  trans-92.1114.8165.7-177.60000107.1
245L56.3Low51.6Low167 Ų167147.5 Ų147.587%0.87483%0.834SS**  trans-87.8138.4171-78.1158.9000109.1
246G55.7Low51.9Low64 Ų64149.7 Ų149.766%0.6684%0.843SS**  trans110.299.4158.800000114.2
247N45.1Very low52.6Low165 Ų165155.5 Ų155.588%0.88285%0.849SS**  trans-170.383.6138.7-94.6-5.2000107.4
248D56.1Low53.3Low161 Ų161148.9 Ų148.986%0.86185%0.845SS**  trans-128.2127.8156-68.8-40.7000105.9
249E50.2Low53.4Low277 Ų277145.1 Ų145.1100%1.29485%0.846SS**  trans89.20-176-53.8-169.3140.500118.5

Retrieved 249 of 249 residues in 91.5 ms (Link to these results)

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