A0A077ZIZ7_TRITR Loading...

MIP domain containing protein

Aquaglyceroporin that may modulate the water content and osmolytes during anhydrobiosis.

AlphaFold DB , UniProt , Accession A0A077ZIZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 240 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M85.9Confident96.3Very high85 Ų8563.4 Ų63.442%0.41936%0.359SS..  0125.10-172.161.317300106.3T3 Q8 M63 F65M1-T3 HydrophobicContact CE-CG2 3.89Å; M1-T3 WeakPolarHBondContact CE-OG1 3.13Å; M1-T3 WeakPolarHBondContact CG-OG1 3.46Å; M1-Q8 HydrophobicContact CG-CG 4.36Å; M1-M63 VanDerWaalsContact CE-O 3.31Å; M1-M63 WeakPolarHBondContact CE-O 3.37Å; M1-F65 HydrophobicContact CB-CD1 4.32Å; M1-F65 HydrophobicContact CB-CD2 4.32Å; M1-F65 HydrophobicContact CB-CE1 3.69Å; M1-F65 HydrophobicContact CB-CE2 3.67Å; M1-F65 HydrophobicContact CB-CZ 3.34Å; M1-F65 HydrophobicContact CG-CZ 4.48Å
2D89.2Confident96.5Very high170 Ų17058.1 Ų58.191%0.90933%0.329SS*.  trans-101.61.3-166.5-55.9-15.7000112.3
3T96.7Very high96.7Very high40 Ų4056.6 Ų56.625%0.24532%0.319CS..SBendtrans-81.7152175.555.30000111.6M1 T7 Q8 M63M1-T3 HydrophobicContact CE-CG2 3.89Å; M1-T3 WeakPolarHBondContact CE-OG1 3.13Å; M1-T3 WeakPolarHBondContact CG-OG1 3.46Å; T3-T7 HydrophobicContact CG2-CG2 3.99Å; T3-Q8 PolarHBondContact O-NE2 3.49Å; T3-Q8 WeakPolarHBondContact OG1-CG 3.45Å; T3-M63 WeakPolarHBondContact CB-O 3.19Å; T3-M63 PolarHBondContact OG1-O 3.27Å
4S97.7Very high96.8Very high59 Ų5956.4 Ų56.441%0.41332%0.316SS..  trans-65159177.569.70000112.1S6 T7 Q8S4-S6 PolarHBondContact O-N 2.94Å; S4-S6 PolarHBondContact OG-OG 3.29Å; S4-T7 PolarHBondContact O-N 3.15Å; S4-T7 VanDerWaalsContact O-N 3.14Å; S4-T7 PolarHBondContact OG-N 3.45Å; S4-T7 PolarHBondContact OG-OG1 3.36Å; S4-T7 VanDerWaalsContact OG-OG1 3.1Å; S4-Q8 WeakPolarHBondContact O-CG 3.41Å; S4-Q8 PolarHBondContact O-N 3.29Å
5M97.9Very high97Very high84 Ų8452.7 Ų52.741%0.41430%0.295SS..Hα-helixtrans-53.6-42174.9178.1-173.1-73.300112.3Q8 V9 M86 P89M5-Q8 PolarHBondContact O-N 3.42Å; M5-V9 WeakPolarHBondContact O-CG2 3.5Å; M5-V9 PolarHBondContact O-N 3.08Å; M5-M86 HydrophobicContact CB-CE 4.11Å; M5-M86 HydrophobicContact CB-SD 4.03Å; M5-M86 HydrophobicContact CE-SD 3.51Å; M5-M86 VanDerWaalsContact CE-SD 3.51Å; M5-M86 HydrophobicContact CG-CE 3.76Å; M5-M86 HydrophobicContact CG-SD 3.76Å; M5-M86 HydrophobicContact SD-SD 4.44Å; M5-P89 HydrophobicContact CG-CB 4.44Å; M5-P89 HydrophobicContact SD-CB 4.44Å; M5-P89 HydrophobicContact SD-CG 4Å
6S98.3Very high97.1Very high78 Ų7849.4 Ų49.455%0.54528%0.276SS..Hα-helixtrans-64.2-43.1178.854.90000112.4S4 Q8 V9 I10S4-S6 PolarHBondContact O-N 2.94Å; S4-S6 PolarHBondContact OG-OG 3.29Å; S6-Q8 VanDerWaalsContact C-N 3.32Å; S6-Q8 PolarHBondContact O-N 3.33Å; S6-V9 PolarHBondContact O-N 2.99Å; S6-I10 WeakPolarHBondContact O-CG1 3.32Å; S6-I10 PolarHBondContact O-N 3.07Å
7T98.5Very high97.2Very high50 Ų5049.2 Ų49.231%0.30727%0.274SS..Hα-helixtrans-62.2-40.9174.3-62.80000111.2T3 S4 I10 G11 M63T3-T7 HydrophobicContact CG2-CG2 3.99Å; S4-T7 PolarHBondContact O-N 3.15Å; S4-T7 VanDerWaalsContact O-N 3.14Å; S4-T7 PolarHBondContact OG-N 3.45Å; S4-T7 PolarHBondContact OG-OG1 3.36Å; S4-T7 VanDerWaalsContact OG-OG1 3.1Å; T7-I10 PolarHBondContact O-N 3.26Å; T7-G11 PolarHBondContact O-N 2.99Å; T7-M63 HydrophobicContact CG2-CB 3.98Å; T7-M63 HydrophobicContact CG2-CG 4.15Å
8Q98.7Very high97.3Very high14 Ų1447.9 Ų47.97%0.06527%0.267CS..Hα-helixtrans-64.6-41.3177.3-64.7-178.145.800112.1M1 T3 S4 M5 S6 I10 G11 E12 M63 S64 M86 Y90M1-Q8 HydrophobicContact CG-CG 4.36Å; T3-Q8 PolarHBondContact O-NE2 3.49Å; T3-Q8 WeakPolarHBondContact OG1-CG 3.45Å; S4-Q8 WeakPolarHBondContact O-CG 3.41Å; S4-Q8 PolarHBondContact O-N 3.29Å; M5-Q8 PolarHBondContact O-N 3.42Å; S6-Q8 VanDerWaalsContact C-N 3.32Å; S6-Q8 PolarHBondContact O-N 3.33Å; Q8-I10 VanDerWaalsContact C-N 3.32Å; Q8-I10 PolarHBondContact O-N 3.41Å; Q8-G11 WeakPolarHBondContact O-CA 3.26Å; Q8-G11 PolarHBondContact O-N 3.39Å; Q8-G11 VanDerWaalsContact O-N 3.12Å; Q8-E12 WeakPolarHBondContact O-CG 3.46Å; Q8-E12 PolarHBondContact O-N 3.39Å; Q8-M63 WeakPolarHBondContact CA-O 3.3Å; Q8-M63 VanDerWaalsContact CG-O 3.3Å; Q8-M63 WeakPolarHBondContact CG-O 3.28Å; Q8-S64 VanDerWaalsContact O-CB 3.27Å; Q8-S64 WeakPolarHBondContact O-CB 3.2Å; Q8-M86 HydrophobicContact CB-CE 4.09Å; Q8-Y90 HydrophobicContact CB-CE2 3.69Å; Q8-Y90 PolarHBondContact OE1-OH 2.91Å
9V98.7Very high97.4Very high32 Ų3245.6 Ų45.619%0.19425%0.254CS..Hα-helixtrans-61.7-40174.8172.30000111.4M5 S6 G11 E12 I13 P89M5-V9 WeakPolarHBondContact O-CG2 3.5Å; M5-V9 PolarHBondContact O-N 3.08Å; S6-V9 PolarHBondContact O-N 2.99Å; V9-G11 VanDerWaalsContact C-N 3.32Å; V9-G11 PolarHBondContact O-N 2.95Å; V9-E12 PolarHBondContact O-N 3.16Å; V9-I13 HydrophobicContact CG1-CD1 4.07Å; V9-I13 VanDerWaalsContact O-CG1 3.31Å; V9-I13 WeakPolarHBondContact O-CG1 3.31Å; V9-I13 PolarHBondContact O-N 2.93Å; V9-P89 HydrophobicContact CG2-CB 3.59Å
10I98.7Very high97.5Very high85 Ų8543.4 Ų43.444%0.43624%0.242SC..Hα-helixtrans-61.9-42.3173.4-67.7165.5000110.8S6 T7 Q8 E12 I13 I14 M63S6-I10 WeakPolarHBondContact O-CG1 3.32Å; S6-I10 PolarHBondContact O-N 3.07Å; T7-I10 PolarHBondContact O-N 3.26Å; Q8-I10 VanDerWaalsContact C-N 3.32Å; Q8-I10 PolarHBondContact O-N 3.41Å; I10-E12 VanDerWaalsContact C-N 3.35Å; I10-E12 PolarHBondContact O-N 3.39Å; I10-I13 PolarHBondContact O-N 2.81Å; I10-I14 HydrophobicContact CG2-CD1 3.7Å; I10-I14 HydrophobicContact CG2-CG1 4.35Å; I10-I14 WeakPolarHBondContact O-CG1 3.18Å; I10-I14 PolarHBondContact O-N 3.21Å; I10-M63 HydrophobicContact CG2-SD 4.05Å
11G98.8Very high97.5Very high0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-53.6-50.3172.300000112.3T7 Q8 V9 I13 I14 G15 A60T7-G11 PolarHBondContact O-N 2.99Å; Q8-G11 WeakPolarHBondContact O-CA 3.26Å; Q8-G11 PolarHBondContact O-N 3.39Å; Q8-G11 VanDerWaalsContact O-N 3.12Å; V9-G11 VanDerWaalsContact C-N 3.32Å; V9-G11 PolarHBondContact O-N 2.95Å; G11-I13 PolarHBondContact O-N 2.98Å; G11-I14 PolarHBondContact O-N 3.5Å; G11-G15 PolarHBondContact O-N 3.15Å; G11-A60 WeakPolarHBondContact O-CB 3.5Å
12E98.8Very high98.1Very high0 Ų043.5 Ų43.50%024%0.243CC..Hα-helixtrans-65.5-35.8178.6-67.1-58.9119.500113.2Q8 V9 I10 T16 S64 A66 H67 L68 Y90 Q94Q8-E12 WeakPolarHBondContact O-CG 3.46Å; Q8-E12 PolarHBondContact O-N 3.39Å; V9-E12 PolarHBondContact O-N 3.16Å; I10-E12 VanDerWaalsContact C-N 3.35Å; I10-E12 PolarHBondContact O-N 3.39Å; E12-T16 VanDerWaalsContact O-CB 3.22Å; E12-T16 WeakPolarHBondContact O-CB 3.4Å; E12-T16 PolarHBondContact O-N 3.3Å; E12-T16 PolarHBondContact O-OG1 3.38Å; E12-S64 WeakPolarHBondContact OE1-CB 3.43Å; E12-S64 PolarHBondContact OE1-OG 3.31Å; E12-A66 VanDerWaalsContact OE1-CA 3.29Å; E12-A66 WeakPolarHBondContact OE1-CA 3.24Å; E12-A66 PolarHBondContact OE1-N 3.27Å; E12-H67 PolarHBondContact OE1-N 2.93Å; E12-H67 PolarHBondContact OE2-N 3.35Å; E12-L68 PolarHBondContact OE2-N 3.47Å; E12-Y90 HydrophobicContact CG-CD1 3.54Å; E12-Y90 HydrophobicContact CG-CD2 4.13Å; E12-Y90 HydrophobicContact CG-CE1 3.7Å; E12-Y90 HydrophobicContact CG-CE2 4.25Å; E12-Y90 HydrophobicContact CG-CG 3.77Å; E12-Q94 HydrophobicContact CB-CG 4.12Å; E12-Q94 WeakPolarHBondContact OE2-CG 3.45Å; E12-Q94 PolarHBondContact OE2-NE2 3.04Å
13I98.9Very high98.6Very high39 Ų3935.4 Ų35.420%0.220%0.2CC..Hα-helixtrans-62.3-53.2172.9-69.2165.2000110.2V9 I10 G11 M17 G93 I96 G97 I100V9-I13 HydrophobicContact CG1-CD1 4.07Å; V9-I13 VanDerWaalsContact O-CG1 3.31Å; V9-I13 WeakPolarHBondContact O-CG1 3.31Å; V9-I13 PolarHBondContact O-N 2.93Å; I10-I13 PolarHBondContact O-N 2.81Å; G11-I13 PolarHBondContact O-N 2.98Å; I13-M17 WeakPolarHBondContact O-CB 3.47Å; I13-M17 PolarHBondContact O-N 2.96Å; I13-G93 WeakPolarHBondContact CA-O 3.49Å; I13-G93 VanDerWaalsContact CG1-O 3.26Å; I13-G93 WeakPolarHBondContact CG1-O 3.29Å; I13-I96 HydrophobicContact CD1-CG2 4.38Å; I13-I96 HydrophobicContact CG1-CB 4.3Å; I13-I96 HydrophobicContact CG1-CG2 4.27Å; I13-I96 HydrophobicContact CG2-CG2 4.27Å; I13-G97 VanDerWaalsContact O-CA 3.24Å; I13-G97 WeakPolarHBondContact O-CA 3.36Å; I13-I100 HydrophobicContact CG2-CD1 4.33Å
14I98.9Very high98.7Very high54 Ų5433.5 Ų33.528%0.27719%0.188SC..Hα-helixtrans-65.3-48.7-175.4-69.6172.8000110.5I10 G11 T16 M17 V18 A59 M63I10-I14 HydrophobicContact CG2-CD1 3.7Å; I10-I14 HydrophobicContact CG2-CG1 4.35Å; I10-I14 WeakPolarHBondContact O-CG1 3.18Å; I10-I14 PolarHBondContact O-N 3.21Å; G11-I14 PolarHBondContact O-N 3.5Å; I14-T16 PolarHBondContact O-N 2.98Å; I14-M17 PolarHBondContact O-N 3.24Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.48Å; I14-V18 PolarHBondContact O-N 3.33Å; I14-A59 HydrophobicContact CG2-CB 4.21Å; I14-M63 HydrophobicContact CB-CE 4.25Å; I14-M63 HydrophobicContact CD1-CE 3.73Å; I14-M63 HydrophobicContact CD1-SD 4.25Å; I14-M63 HydrophobicContact CG2-CE 4.38Å
15G98.9Very high98.8Very high0 Ų031.2 Ų31.20%017%0.174CC..Hα-helixtrans-62.3-42.4-179.500000112.4G11 V18 L19 G56G11-G15 PolarHBondContact O-N 3.15Å; G15-V18 PolarHBondContact O-N 2.98Å; G15-L19 VanDerWaalsContact O-CB 3.3Å; G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 PolarHBondContact O-N 3.27Å; G15-G56 WeakPolarHBondContact CA-O 3.5Å
16T99Very high98.8Very high0 Ų028.7 Ų28.70%016%0.163CC..Hα-helixtrans-72.5-35.3-179.5-46.90000111.3E12 I14 L19 V20 L68 Q94 A98 A192E12-T16 VanDerWaalsContact O-CB 3.22Å; E12-T16 WeakPolarHBondContact O-CB 3.4Å; E12-T16 PolarHBondContact O-N 3.3Å; E12-T16 PolarHBondContact O-OG1 3.38Å; I14-T16 PolarHBondContact O-N 2.98Å; T16-L19 PolarHBondContact O-N 3.46Å; T16-V20 HydrophobicContact CG2-CG2 4.4Å; T16-V20 WeakPolarHBondContact O-CB 3.4Å; T16-V20 WeakPolarHBondContact O-CG2 3.4Å; T16-V20 PolarHBondContact O-N 3.06Å; T16-L68 WeakPolarHBondContact OG1-CA 3.34Å; T16-Q94 HydrophobicContact CG2-CB 4.35Å; T16-Q94 VanDerWaalsContact CG2-O 3.25Å; T16-Q94 WeakPolarHBondContact CG2-O 3.33Å; T16-Q94 WeakPolarHBondContact OG1-CA 3.45Å; T16-A98 HydrophobicContact CG2-CB 3.83Å; T16-A192 HydrophobicContact CG2-CB 4.3Å
17M98.9Very high98.8Very high46 Ų4625.4 Ų25.423%0.22714%0.14CC..Hα-helixtrans-58.7-47.5170.6176.4-165.370.200111.6I13 I14 V20 L21 G97 I100 L104I13-M17 WeakPolarHBondContact O-CB 3.47Å; I13-M17 PolarHBondContact O-N 2.96Å; I14-M17 PolarHBondContact O-N 3.24Å; M17-V20 PolarHBondContact O-N 3.17Å; M17-L21 WeakPolarHBondContact O-CB 3.5Å; M17-L21 PolarHBondContact O-N 3.15Å; M17-G97 WeakPolarHBondContact CA-O 3.15Å; M17-G97 WeakPolarHBondContact CB-O 3.37Å; M17-I100 HydrophobicContact CG-CB 4.2Å; M17-I100 HydrophobicContact CG-CG2 3.8Å; M17-I100 HydrophobicContact SD-CG2 3.64Å; M17-L104 HydrophobicContact CG-CD1 4.22Å; M17-L104 HydrophobicContact SD-CD1 4.13Å
18V98.9Very high98.9Very high26 Ų2623 Ų2316%0.15813%0.125CC..Hα-helixtrans-64-46.2178.2169.20000111.1I14 G15 V20 L21 L22 I55 A59I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.48Å; I14-V18 PolarHBondContact O-N 3.33Å; G15-V18 PolarHBondContact O-N 2.98Å; V18-V20 VanDerWaalsContact C-N 3.35Å; V18-V20 PolarHBondContact O-N 3.38Å; V18-L21 PolarHBondContact O-N 3.42Å; V18-L22 HydrophobicContact CG1-CD1 3.86Å; V18-L22 HydrophobicContact CG1-CG 4.49Å; V18-L22 WeakPolarHBondContact O-CB 3.41Å; V18-L22 WeakPolarHBondContact O-CG 3.33Å; V18-L22 PolarHBondContact O-N 3.03Å; V18-I55 HydrophobicContact CG1-CB 4.39Å; V18-I55 HydrophobicContact CG1-CG2 3.8Å; V18-A59 HydrophobicContact CG2-CB 4.14Å
19L98.9Very high98.9Very high5 Ų522.6 Ų22.63%0.02612%0.124CC..Hα-helixtrans-54.4-50.4176173.8160.4000111.1G15 T16 G23 W49 V53 L68 R193G15-L19 VanDerWaalsContact O-CB 3.3Å; G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 PolarHBondContact O-N 3.27Å; T16-L19 PolarHBondContact O-N 3.46Å; L19-G23 WeakPolarHBondContact O-CA 3.43Å; L19-G23 PolarHBondContact O-N 2.81Å; L19-W49 HydrophobicContact CD2-CH2 4.47Å; L19-W49 HydrophobicContact CD2-CZ3 3.7Å; L19-W49 HydrophobicContact CG-CZ3 4.39Å; L19-V53 HydrophobicContact CD1-CG2 3.81Å; L19-V53 HydrophobicContact CG-CG2 4.12Å; L19-L68 HydrophobicContact CD1-CB 3.92Å; L19-L68 HydrophobicContact CD1-CD1 4.31Å; L19-R193 HydrophobicContact CD2-CB 4.41Å; L19-R193 HydrophobicContact CD2-CG 4.47Å
20V98.9Very high98.9Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-72.1-44.2-177.5170.90000111.2T16 M17 V18 L22 G23 D24 A98 A102 P197T16-V20 HydrophobicContact CG2-CG2 4.4Å; T16-V20 WeakPolarHBondContact O-CB 3.4Å; T16-V20 WeakPolarHBondContact O-CG2 3.4Å; T16-V20 PolarHBondContact O-N 3.06Å; M17-V20 PolarHBondContact O-N 3.17Å; V18-V20 VanDerWaalsContact C-N 3.35Å; V18-V20 PolarHBondContact O-N 3.38Å; V20-L22 VanDerWaalsContact C-N 3.29Å; V20-L22 PolarHBondContact O-N 3.12Å; V20-G23 PolarHBondContact O-N 2.85Å; V20-D24 HydrophobicContact CG1-CB 4.39Å; V20-D24 WeakPolarHBondContact CG1-OD2 3.28Å; V20-D24 VanDerWaalsContact O-CB 3.28Å; V20-D24 WeakPolarHBondContact O-CB 3.32Å; V20-D24 PolarHBondContact O-N 3.39Å; V20-A98 WeakPolarHBondContact CG1-O 3.13Å; V20-A98 HydrophobicContact CG2-CB 3.87Å; V20-A102 HydrophobicContact CG1-CB 4.2Å; V20-P197 HydrophobicContact CG1-CG 3.72Å; V20-P197 HydrophobicContact CG2-CG 4.23Å
21L98.9Very high98.9Very high56 Ų5619.3 Ų19.329%0.29311%0.11SC..Hα-helixtrans-55.4-46.2178.3173.757.1000111.8M17 V18 G25 L104 V105M17-L21 WeakPolarHBondContact O-CB 3.5Å; M17-L21 PolarHBondContact O-N 3.15Å; V18-L21 PolarHBondContact O-N 3.42Å; L21-G25 VanDerWaalsContact O-CA 3.23Å; L21-G25 WeakPolarHBondContact O-CA 3.37Å; L21-G25 PolarHBondContact O-N 3.38Å; L21-L104 HydrophobicContact CD1-CB 3.71Å; L21-L104 HydrophobicContact CD2-CB 4.49Å; L21-L104 HydrophobicContact CD2-CD1 4.12Å; L21-V105 HydrophobicContact CD1-CG2 3.89Å; L21-V105 WeakPolarHBondContact O-CG2 3.45Å
22L98.9Very high98.9Very high75 Ų7519.3 Ų19.339%0.39311%0.11SC..Hα-helixtrans-79.9-39.8-178-62.2178.6000112.1V18 V20 V26 A52 I55V18-L22 HydrophobicContact CG1-CD1 3.86Å; V18-L22 HydrophobicContact CG1-CG 4.49Å; V18-L22 WeakPolarHBondContact O-CB 3.41Å; V18-L22 WeakPolarHBondContact O-CG 3.33Å; V18-L22 PolarHBondContact O-N 3.03Å; V20-L22 VanDerWaalsContact C-N 3.29Å; V20-L22 PolarHBondContact O-N 3.12Å; L22-V26 PolarHBondContact O-N 3.39Å; L22-A52 HydrophobicContact CB-CB 3.54Å; L22-I55 HydrophobicContact CD1-CB 4.03Å; L22-I55 HydrophobicContact CD1-CG2 3.94Å
23G98.9Very high98.8Very high0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-69.2-56.6-179.900000112.9L19 V20 G25 V26 V27 W49L19-G23 WeakPolarHBondContact O-CA 3.43Å; L19-G23 PolarHBondContact O-N 2.81Å; V20-G23 PolarHBondContact O-N 2.85Å; G23-G25 PolarHBondContact O-N 3.41Å; G23-V26 WeakPolarHBondContact O-CG1 3.37Å; G23-V26 PolarHBondContact O-N 2.89Å; G23-V27 WeakPolarHBondContact O-CG2 3.3Å; G23-V27 PolarHBondContact O-N 3.47Å; G23-W49 VanDerWaalsContact C-CE2 3.48Å; G23-W49 PolarHBondContact O-NE1 2.92Å
24D98.9Very high98.8Very high0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-66.8-29.5174.5-70.2-1.7000110.3V20 V27 A28 W49 V105 V125 R193 P197V20-D24 HydrophobicContact CG1-CB 4.39Å; V20-D24 WeakPolarHBondContact CG1-OD2 3.28Å; V20-D24 VanDerWaalsContact O-CB 3.28Å; V20-D24 WeakPolarHBondContact O-CB 3.32Å; V20-D24 PolarHBondContact O-N 3.39Å; D24-V27 PolarHBondContact O-N 3.42Å; D24-A28 WeakPolarHBondContact O-CB 3.43Å; D24-A28 PolarHBondContact O-N 3.44Å; D24-W49 VanDerWaalsContact OD1-CH2 3.28Å; D24-W49 WeakPolarHBondContact OD1-CH2 3.19Å; D24-W49 WeakPolarHBondContact OD1-CZ2 3.49Å; D24-V105 HydrophobicContact CB-CG1 4.45Å; D24-V105 HydrophobicContact CB-CG2 4.01Å; D24-V125 HydrophobicContact CB-CG1 4.47Å; D24-V125 VanDerWaalsContact CB-O 3.24Å; D24-V125 WeakPolarHBondContact CB-O 3.44Å; D24-R193 IonicContact OD1-NH1 3.28Å; D24-R193 PolarHBondContact OD1-NH1 3.42Å; D24-P197 WeakPolarHBondContact OD2-CB 3.42Å; D24-P197 WeakPolarHBondContact OD2-CG 3.11Å
25G98.9Very high98.8Very high11 Ų1129.3 Ų29.311%0.11315%0.147CC..Hα-helixtrans-59.3-44.9173.300000113.4L21 G23 V27 A28 G29 Y109L21-G25 VanDerWaalsContact O-CA 3.23Å; L21-G25 WeakPolarHBondContact O-CA 3.37Å; L21-G25 PolarHBondContact O-N 3.38Å; G23-G25 PolarHBondContact O-N 3.41Å; G25-V27 VanDerWaalsContact C-N 3.33Å; G25-V27 PolarHBondContact O-N 3.5Å; G25-A28 PolarHBondContact O-N 3Å; G25-G29 PolarHBondContact O-N 3.08Å; G25-Y109 PolarHBondContact O-OH 3.47Å; G25-Y109 VanDerWaalsContact O-OH 3.13Å
26V98.8Very high98.7Very high31 Ų3140.1 Ų40.119%0.18819%0.194CC..Hα-helixtrans-65.8-37.9174.467.30000111.4L22 G23 G29 V30 A44L22-V26 PolarHBondContact O-N 3.39Å; G23-V26 WeakPolarHBondContact O-CG1 3.37Å; G23-V26 PolarHBondContact O-N 2.89Å; V26-G29 PolarHBondContact O-N 2.88Å; V26-V30 HydrophobicContact CG2-CG2 4.29Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.26Å; V26-V30 PolarHBondContact O-N 3.3Å; V26-A44 WeakPolarHBondContact CG2-O 3.43Å
27V98.9Very high98.7Very high10 Ų1042 Ų426%0.06121%0.211CC..Hα-helixtrans-64.4-43.8177.1-178.10000110.7G23 D24 G25 V30 S31 I45 W49 G124 V125G23-V27 WeakPolarHBondContact O-CG2 3.3Å; G23-V27 PolarHBondContact O-N 3.47Å; D24-V27 PolarHBondContact O-N 3.42Å; G25-V27 VanDerWaalsContact C-N 3.33Å; G25-V27 PolarHBondContact O-N 3.5Å; V27-V30 PolarHBondContact O-N 2.87Å; V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3.34Å; V27-S31 PolarHBondContact O-OG 3.44Å; V27-I45 HydrophobicContact CG2-CG2 4.04Å; V27-W49 HydrophobicContact CG2-CZ2 4.48Å; V27-G124 WeakPolarHBondContact CG1-O 3.18Å; V27-V125 HydrophobicContact CG1-CG2 4.46Å
28A98.9Very high98.7Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-59.3-46.5174.100000111.4D24 G25 V30 S31 L32 V105 Y109 V125D24-A28 WeakPolarHBondContact O-CB 3.43Å; D24-A28 PolarHBondContact O-N 3.44Å; G25-A28 PolarHBondContact O-N 3Å; A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 2.93Å; A28-S31 PolarHBondContact O-N 2.8Å; A28-L32 HydrophobicContact CB-CD1 3.97Å; A28-L32 HydrophobicContact CB-CG 4.38Å; A28-L32 VanDerWaalsContact O-CB 3.27Å; A28-L32 WeakPolarHBondContact O-CB 3.41Å; A28-L32 WeakPolarHBondContact O-CG 3.43Å; A28-L32 PolarHBondContact O-N 3.26Å; A28-V105 HydrophobicContact CB-CG1 3.95Å; A28-Y109 HydrophobicContact CB-CD1 4.36Å; A28-Y109 HydrophobicContact CB-CD2 3.46Å; A28-Y109 VanDerWaalsContact CB-CD2 3.46Å; A28-Y109 HydrophobicContact CB-CE1 4.3Å; A28-Y109 HydrophobicContact CB-CE2 3.35Å; A28-Y109 HydrophobicContact CB-CG 3.98Å; A28-V125 HydrophobicContact CB-CG1 3.64Å; A28-V125 HydrophobicContact CB-CG2 4.2Å
29G98.8Very high98.7Very high4 Ų445.4 Ų45.44%0.04124%0.242CC..Hα-helixtrans-57.4-41.7174.900000112.8G25 V26 T35 A37 E38 Y109G25-G29 PolarHBondContact O-N 3.08Å; V26-G29 PolarHBondContact O-N 2.88Å; G29-T35 WeakPolarHBondContact O-CB 3.38Å; G29-T35 PolarHBondContact O-OG1 3.4Å; G29-A37 CarbonylContact O-C 3.2Å; G29-A37 WeakPolarHBondContact O-CB 3.47Å; G29-E38 PolarHBondContact O-N 2.99Å; G29-Y109 WeakPolarHBondContact CA-OH 3.21Å; G29-Y109 PolarHBondContact N-OH 3Å
30V98.8Very high98.6Very high12 Ų1247.6 Ų47.67%0.07326%0.26CS..Hα-helixtrans-78.5-32.4-178.3174.50000113.1V26 V27 A28 A37 E38 G39 A40 A44 I45V26-V30 HydrophobicContact CG2-CG2 4.29Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.26Å; V26-V30 PolarHBondContact O-N 3.3Å; V27-V30 PolarHBondContact O-N 2.87Å; A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 2.93Å; V30-A37 WeakPolarHBondContact CA-O 3.39Å; V30-E38 WeakPolarHBondContact O-CA 3.21Å; V30-G39 PolarHBondContact O-N 3.36Å; V30-A40 HydrophobicContact CG2-CB 4.25Å; V30-A44 HydrophobicContact CG2-CB 3.99Å; V30-I45 HydrophobicContact CB-CD1 4.28Å; V30-I45 HydrophobicContact CB-CG1 4.06Å; V30-I45 HydrophobicContact CG1-CD1 3.96Å; V30-I45 HydrophobicContact CG1-CG1 4.08Å; V30-I45 HydrophobicContact CG2-CG1 3.98Å
31S98.5Very high98.6Very high37 Ų3749 Ų4926%0.25928%0.275SS..Hα-helixtrans-106.4-31.2-164.3-44.60000113.9V27 A28 T121V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3.34Å; V27-S31 PolarHBondContact O-OG 3.44Å; A28-S31 PolarHBondContact O-N 2.8Å; S31-T121 WeakPolarHBondContact O-CG2 3.47Å
32L98.8Very high98.5Very high0 Ų050.8 Ų50.80%028%0.278CS..SBendtrans-74.5146.7180-61.4179.5000111.5A28 T35 Y109 H112 W113 T116 V125A28-L32 HydrophobicContact CB-CD1 3.97Å; A28-L32 HydrophobicContact CB-CG 4.38Å; A28-L32 VanDerWaalsContact O-CB 3.27Å; A28-L32 WeakPolarHBondContact O-CB 3.41Å; A28-L32 WeakPolarHBondContact O-CG 3.43Å; A28-L32 PolarHBondContact O-N 3.26Å; L32-T35 HydrophobicContact CB-CG2 3.91Å; L32-T35 WeakPolarHBondContact O-CG2 3.34Å; L32-T35 PolarHBondContact O-OG1 3.41Å; L32-Y109 HydrophobicContact CD1-CD1 3.99Å; L32-Y109 HydrophobicContact CD1-CG 3.9Å; L32-H112 HydrophobicContact CB-CB 4.15Å; L32-H112 HydrophobicContact CD1-CB 4.08Å; L32-W113 HydrophobicContact CD1-CD2 4.2Å; L32-W113 HydrophobicContact CD1-CE3 3.93Å; L32-W113 HydrophobicContact CD1-CH2 3.79Å; L32-W113 HydrophobicContact CD1-CZ2 4.03Å; L32-W113 HydrophobicContact CD1-CZ3 3.75Å; L32-W113 HydrophobicContact CD2-CE3 3.74Å; L32-W113 HydrophobicContact CD2-CH2 4.38Å; L32-W113 HydrophobicContact CD2-CZ3 3.58Å; L32-W113 HydrophobicContact CG-CZ3 4.24Å; L32-T116 HydrophobicContact CD2-CG2 4.03Å; L32-V125 HydrophobicContact CD2-CG2 4.06Å; L32-V125 HydrophobicContact CG-CG2 4.22Å
33R98.5Very high98.5Very high140 Ų14051.6 Ų51.653%0.52828%0.281SS..THydrogen-bonded Turntrans-67.4146.8178-63.9-58.3-172171.1-1.7112T35 E38 H112 E115 T116R33-T35 PolarHBondContact O-N 3.2Å; R33-E38 WeakPolarHBondContact CA-OE2 3.47Å; R33-E38 WeakPolarHBondContact CD-OE1 3.27Å; R33-E38 IonicContact CZ-OE1 3.84Å; R33-E38 IonicContact NE-OE1 2.69Å; R33-E38 IonicContact NH1-OE1 3.69Å; R33-E38 PolarHBondContact NH1-OE1 3.08Å; R33-H112 PolarHBondContact O-ND1 2.91Å; R33-E115 HydrophobicContact CB-CB 4.17Å; R33-T116 HydrophobicContact CG-CG2 4.47Å; R33-T116 PolarHBondContact N-OG1 3.34Å
34K98Very high98.5Very high144 Ų14452.9 Ų52.963%0.62629%0.292SS*.THydrogen-bonded Turntrans6318.4175.8-54.2-173.1175.4169.90114.4E38 H112 E115K34-E38 PolarHBondContact N-OE2 3.4Å; K34-H112 PolarHBondContact O-CE1 3.38Å; K34-E115 HydrophobicContact CD-CB 4.31Å; K34-E115 HydrophobicContact CD-CG 4.03Å; K34-E115 VanDerWaalsContact CE-OE2 3.3Å; K34-E115 WeakPolarHBondContact CE-OE2 3.3Å; K34-E115 IonicContact NZ-OE2 2.86Å; K34-E115 PolarHBondContact NZ-OE2 3.22Å
35T98.3Very high98.5Very high18 Ų1853.8 Ų53.811%0.1130%0.297CS..  trans-80.3161.1165.966.30000109.3G29 L32 R33 A37 E38 Y109G29-T35 WeakPolarHBondContact O-CB 3.38Å; G29-T35 PolarHBondContact O-OG1 3.4Å; L32-T35 HydrophobicContact CB-CG2 3.91Å; L32-T35 WeakPolarHBondContact O-CG2 3.34Å; L32-T35 PolarHBondContact O-OG1 3.41Å; R33-T35 PolarHBondContact O-N 3.2Å; T35-A37 VanDerWaalsContact C-N 3.26Å; T35-A37 PolarHBondContact O-N 2.95Å; T35-E38 WeakPolarHBondContact OG1-CA 3.37Å; T35-E38 WeakPolarHBondContact OG1-CB 3.22Å; T35-E38 PolarHBondContact OG1-N 3.31Å; T35-Y109 HydrophobicContact CG2-CD1 4.07Å; T35-Y109 HydrophobicContact CG2-CE1 3.83Å
36K98.4Very high98.4Very high227 Ų22753.3 Ų53.399%0.98729%0.292SS*.THydrogen-bonded Turntrans-73.6-19.7174.1-70.4-175176.9-1800113.6
37A98.4Very high98.4Very high41 Ų4156 Ų5634%0.33931%0.305SS..THydrogen-bonded Turntrans-1004-179.100000112.5G29 V30 T35 G39 A40G29-A37 CarbonylContact O-C 3.2Å; G29-A37 WeakPolarHBondContact O-CB 3.47Å; V30-A37 WeakPolarHBondContact CA-O 3.39Å; T35-A37 VanDerWaalsContact C-N 3.26Å; T35-A37 PolarHBondContact O-N 2.95Å; A37-G39 PolarHBondContact O-N 3Å; A37-A40 WeakPolarHBondContact O-CB 3.46Å; A37-A40 PolarHBondContact O-N 3.47Å
38E98.5Very high98.4Very high77 Ų7756.4 Ų56.436%0.3631%0.311SS..THydrogen-bonded Turntrans-50.7122.6179.7-174.2178.9164.100110.2G29 V30 R33 K34 T35 A40G29-E38 PolarHBondContact O-N 2.99Å; V30-E38 WeakPolarHBondContact O-CA 3.21Å; R33-E38 WeakPolarHBondContact CA-OE2 3.47Å; R33-E38 WeakPolarHBondContact CD-OE1 3.27Å; R33-E38 IonicContact CZ-OE1 3.84Å; R33-E38 IonicContact NE-OE1 2.69Å; R33-E38 IonicContact NH1-OE1 3.69Å; R33-E38 PolarHBondContact NH1-OE1 3.08Å; K34-E38 PolarHBondContact N-OE2 3.4Å; T35-E38 WeakPolarHBondContact OG1-CA 3.37Å; T35-E38 WeakPolarHBondContact OG1-CB 3.22Å; T35-E38 PolarHBondContact OG1-N 3.31Å; E38-A40 VanDerWaalsContact C-N 3.33Å; E38-A40 PolarHBondContact O-N 3.13Å
39G98.2Very high98.4Very high66 Ų6656.7 Ų56.768%0.6831%0.312SS*.THydrogen-bonded Turntrans76.410.9179.500000115.7V30 A37 G41V30-G39 PolarHBondContact O-N 3.36Å; A37-G39 PolarHBondContact O-N 3Å; G39-G41 PolarHBondContact O-N 3.28Å; G39-G41 VanDerWaalsContact O-N 3.09Å
40A98.3Very high98.4Very high50 Ų5056.8 Ų56.841%0.41331%0.313SS..  trans-64.1-11.9174.100000113.8V30 A37 E38 A44V30-A40 HydrophobicContact CG2-CB 4.25Å; A37-A40 WeakPolarHBondContact O-CB 3.46Å; A37-A40 PolarHBondContact O-N 3.47Å; E38-A40 VanDerWaalsContact C-N 3.33Å; E38-A40 PolarHBondContact O-N 3.13Å; A40-A44 HydrophobicContact CB-CB 3.91Å
41G97.5Very high98.4Very high30 Ų3058.8 Ų58.831%0.30933%0.331SS..Hα-helixtrans81.8-174.3164.300000115.4G39 I43 A44 I45G39-G41 PolarHBondContact O-N 3.28Å; G39-G41 VanDerWaalsContact O-N 3.09Å; G41-I43 VanDerWaalsContact C-N 3.33Å; G41-I43 PolarHBondContact O-N 2.96Å; G41-A44 PolarHBondContact O-N 3.41Å; G41-I45 PolarHBondContact O-N 3.37Å
42W97.8Very high98.5Very high94 Ų9457 Ų5736%0.35632%0.319SS..Hα-helixtrans-61.6-37.2-169.8-169.1-112.6000113.6A44 I45 T46 G178 G182 Y187W42-A44 VanDerWaalsContact C-N 3.31Å; W42-A44 PolarHBondContact O-N 3.03Å; W42-I45 HydrophobicContact CE3-CD1 4.23Å; W42-I45 HydrophobicContact CE3-CG2 4.44Å; W42-I45 HydrophobicContact CZ3-CG2 4.28Å; W42-I45 WeakPolarHBondContact O-CB 3.1Å; W42-I45 PolarHBondContact O-N 2.95Å; W42-I45 VanDerWaalsContact O-N 3.17Å; W42-T46 HydrophobicContact CD2-CG2 4.21Å; W42-T46 HydrophobicContact CG-CG2 4.28Å; W42-T46 HydrophobicContact CZ2-CG2 4.07Å; W42-T46 VanDerWaalsContact NE1-CG2 3.31Å; W42-T46 PolarHBondContact O-N 2.97Å; W42-T46 PolarHBondContact O-OG1 3.08Å; W42-G178 PolarHBondContact NE1-O 2.95Å; W42-G182 VanDerWaalsContact CZ2-C 3.47Å; W42-Y187 AromaticContact CH2-CD1 3.69Å; W42-Y187 HydrophobicContact CH2-CD1 3.69Å; W42-Y187 AromaticContact CH2-CE1 3.42Å; W42-Y187 HydrophobicContact CH2-CE1 3.42Å; W42-Y187 VanDerWaalsContact CH2-CE1 3.42Å; W42-Y187 AromaticContact CZ2-CD1 3.59Å; W42-Y187 HydrophobicContact CZ2-CD1 3.59Å; W42-Y187 AromaticContact CZ2-CE1 3.38Å; W42-Y187 HydrophobicContact CZ2-CE1 3.38Å; W42-Y187 HydrophobicContact CZ3-CE1 4.48Å
43I98.3Very high98.5Very high91 Ų9157.8 Ų57.847%0.46732%0.323SS..Hα-helixtrans-61-40-179.9-172.959000112.1G41 T46 L47 L179G41-I43 VanDerWaalsContact C-N 3.33Å; G41-I43 PolarHBondContact O-N 2.96Å; I43-T46 PolarHBondContact O-N 3.24Å; I43-T46 PolarHBondContact O-OG1 2.91Å; I43-T46 VanDerWaalsContact O-OG1 3.12Å; I43-L47 HydrophobicContact CD1-CD1 4.09Å; I43-L47 HydrophobicContact CD1-CG 4.13Å; I43-L47 HydrophobicContact CG1-CD1 3.9Å; I43-L47 HydrophobicContact CG1-CG 4.37Å; I43-L47 VanDerWaalsContact O-CB 3.3Å; I43-L47 WeakPolarHBondContact O-CB 3.47Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.23Å; I43-L47 PolarHBondContact O-N 3.44Å; I43-L179 HydrophobicContact CD1-CD2 3.81Å
44A98.4Very high98.5Very high28 Ų2852 Ų5223%0.23130%0.304CS..Hα-helixtrans-65.3-42.8177.400000110.6V26 V30 A40 G41 W42 G48V26-A44 WeakPolarHBondContact CG2-O 3.43Å; V30-A44 HydrophobicContact CG2-CB 3.99Å; A40-A44 HydrophobicContact CB-CB 3.91Å; G41-A44 PolarHBondContact O-N 3.41Å; W42-A44 VanDerWaalsContact C-N 3.31Å; W42-A44 PolarHBondContact O-N 3.03Å; A44-G48 PolarHBondContact O-N 3.35Å
45I98.7Very high98.5Very high19 Ų1949.3 Ų49.310%0.09730%0.295CS..Hα-helixtrans-59.8-52.7175.8-66.3176.3000110.4V27 V30 G41 W42 L47 G48 W49V27-I45 HydrophobicContact CG2-CG2 4.04Å; V30-I45 HydrophobicContact CB-CD1 4.28Å; V30-I45 HydrophobicContact CB-CG1 4.06Å; V30-I45 HydrophobicContact CG1-CD1 3.96Å; V30-I45 HydrophobicContact CG1-CG1 4.08Å; V30-I45 HydrophobicContact CG2-CG1 3.98Å; G41-I45 PolarHBondContact O-N 3.37Å; W42-I45 HydrophobicContact CE3-CD1 4.23Å; W42-I45 HydrophobicContact CE3-CG2 4.44Å; W42-I45 HydrophobicContact CZ3-CG2 4.28Å; W42-I45 WeakPolarHBondContact O-CB 3.1Å; W42-I45 PolarHBondContact O-N 2.95Å; W42-I45 VanDerWaalsContact O-N 3.17Å; I45-L47 PolarHBondContact O-N 3.28Å; I45-G48 PolarHBondContact O-N 3.49Å; I45-W49 VanDerWaalsContact O-CD1 3.24Å; I45-W49 PolarHBondContact O-N 3.49Å
46T98.6Very high98.5Very high0 Ų048.4 Ų48.40%029%0.29CS..Hα-helixtrans-66.5-39.1-176.354.20000112.8W42 I43 G50 G178 L179 Y187W42-T46 HydrophobicContact CD2-CG2 4.21Å; W42-T46 HydrophobicContact CG-CG2 4.28Å; W42-T46 HydrophobicContact CZ2-CG2 4.07Å; W42-T46 VanDerWaalsContact NE1-CG2 3.31Å; W42-T46 PolarHBondContact O-N 2.97Å; W42-T46 PolarHBondContact O-OG1 3.08Å; I43-T46 PolarHBondContact O-N 3.24Å; I43-T46 PolarHBondContact O-OG1 2.91Å; I43-T46 VanDerWaalsContact O-OG1 3.12Å; T46-G50 PolarHBondContact O-N 3.11Å; T46-G178 VanDerWaalsContact CG2-C 3.47Å; T46-L179 HydrophobicContact CG2-CD2 4.22Å; T46-L179 HydrophobicContact CG2-CG 4.36Å; T46-L179 VanDerWaalsContact OG1-CD2 3.31Å; T46-L179 WeakPolarHBondContact OG1-CD2 3.46Å; T46-Y187 HydrophobicContact CG2-CE1 4.34Å
47L98.7Very high98.6Very high88 Ų8838.1 Ų38.146%0.46125%0.246SC..Hα-helixtrans-64.7-45.1174.1-74.6172.1000111.3I43 I45 G50 A51 L175I43-L47 HydrophobicContact CD1-CD1 4.09Å; I43-L47 HydrophobicContact CD1-CG 4.13Å; I43-L47 HydrophobicContact CG1-CD1 3.9Å; I43-L47 HydrophobicContact CG1-CG 4.37Å; I43-L47 VanDerWaalsContact O-CB 3.3Å; I43-L47 WeakPolarHBondContact O-CB 3.47Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.23Å; I43-L47 PolarHBondContact O-N 3.44Å; I45-L47 PolarHBondContact O-N 3.28Å; L47-G50 PolarHBondContact O-N 2.79Å; L47-A51 WeakPolarHBondContact O-CB 3.27Å; L47-A51 PolarHBondContact O-N 2.96Å; L47-L175 HydrophobicContact CD2-CD1 3.79Å; L47-L175 HydrophobicContact CD2-CD2 3.76Å; L47-L175 HydrophobicContact CD2-CG 4.44Å; L47-L175 HydrophobicContact CG-CD1 4.16Å
48G98.8Very high98.6Very high19 Ų1940.6 Ų40.620%0.19625%0.248CC..Hα-helixtrans-63.3-42178.500000112.4A44 I45 A51 A52A44-G48 PolarHBondContact O-N 3.35Å; I45-G48 PolarHBondContact O-N 3.49Å; G48-A51 PolarHBondContact O-N 2.92Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 3.44Å
49W98.7Very high98.6Very high6 Ų638.2 Ų38.22%0.02324%0.241CC..Hα-helixtrans-63.8-45.5173.8-86.8103.8000112.9L19 G23 D24 V27 I45 A51 A52 V53 I174 Y187 R193L19-W49 HydrophobicContact CD2-CH2 4.47Å; L19-W49 HydrophobicContact CD2-CZ3 3.7Å; L19-W49 HydrophobicContact CG-CZ3 4.39Å; G23-W49 VanDerWaalsContact C-CE2 3.48Å; G23-W49 PolarHBondContact O-NE1 2.92Å; D24-W49 VanDerWaalsContact OD1-CH2 3.28Å; D24-W49 WeakPolarHBondContact OD1-CH2 3.19Å; D24-W49 WeakPolarHBondContact OD1-CZ2 3.49Å; V27-W49 HydrophobicContact CG2-CZ2 4.48Å; I45-W49 VanDerWaalsContact O-CD1 3.24Å; I45-W49 PolarHBondContact O-N 3.49Å; W49-A51 VanDerWaalsContact C-N 3.33Å; W49-A51 PolarHBondContact O-N 3.24Å; W49-A52 PolarHBondContact O-N 3.48Å; W49-V53 WeakPolarHBondContact O-CG2 3.37Å; W49-V53 PolarHBondContact O-N 3.27Å; W49-I174 HydrophobicContact CB-CG2 4.34Å; W49-Y187 HydrophobicContact CB-CE2 4.35Å; W49-Y187 WeakPolarHBondContact CB-OH 3.43Å; W49-Y187 HydrophobicContact CG-CE2 4.47Å; W49-Y187 VanDerWaalsContact CG-OH 3.29Å; W49-R193 HydrophobicContact CH2-CG 3.46Å; W49-R193 VanDerWaalsContact CH2-CG 3.46Å; W49-R193 HydrophobicContact CZ2-CG 4.32Å; W49-R193 HydrophobicContact CZ3-CG 3.59Å
50G98.8Very high98.6Very high5 Ų535 Ų355%0.05221%0.209CC..Hα-helixtrans-58.2-46175.800000112T46 L47 V53 T54 G171T46-G50 PolarHBondContact O-N 3.11Å; L47-G50 PolarHBondContact O-N 2.79Å; G50-V53 PolarHBondContact O-N 3.29Å; G50-T54 PolarHBondContact O-N 3.09Å; G50-T54 VanDerWaalsContact O-N 3.16Å; G50-T54 PolarHBondContact O-OG1 2.8Å; G50-G171 VanDerWaalsContact CA-O 3.32Å; G50-G171 WeakPolarHBondContact CA-O 3.41Å; G50-G171 VanDerWaalsContact O-CA 3.22Å; G50-G171 WeakPolarHBondContact O-CA 3.24Å
51A98.9Very high98.5Very high54 Ų5434.6 Ų34.645%0.44621%0.209SC..Hα-helixtrans-65.3-40.4175.500000112.6L47 G48 W49 V53 T54 I55L47-A51 WeakPolarHBondContact O-CB 3.27Å; L47-A51 PolarHBondContact O-N 2.96Å; G48-A51 PolarHBondContact O-N 2.92Å; W49-A51 VanDerWaalsContact C-N 3.33Å; W49-A51 PolarHBondContact O-N 3.24Å; A51-V53 VanDerWaalsContact C-N 3.34Å; A51-V53 PolarHBondContact O-N 3.32Å; A51-T54 WeakPolarHBondContact O-CB 3.46Å; A51-T54 PolarHBondContact O-N 2.95Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 2.94Å
52A98.9Very high98.5Very high1 Ų140.9 Ų40.91%0.00823%0.225CC..Hα-helixtrans-59.9-42.8177.800000111.9L22 G48 W49 I55 G56L22-A52 HydrophobicContact CB-CB 3.54Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 3.44Å; W49-A52 PolarHBondContact O-N 3.48Å; A52-I55 PolarHBondContact O-N 3.2Å; A52-G56 PolarHBondContact O-N 3.28Å
53V98.8Very high98.5Very high16 Ų1637.1 Ų37.110%0.09721%0.211CC..Hα-helixtrans-66.5-42.9176177.10000111.3L19 W49 G50 A51 I55 G56 A57 V170 I174L19-V53 HydrophobicContact CD1-CG2 3.81Å; L19-V53 HydrophobicContact CG-CG2 4.12Å; W49-V53 WeakPolarHBondContact O-CG2 3.37Å; W49-V53 PolarHBondContact O-N 3.27Å; G50-V53 PolarHBondContact O-N 3.29Å; A51-V53 VanDerWaalsContact C-N 3.34Å; A51-V53 PolarHBondContact O-N 3.32Å; V53-I55 VanDerWaalsContact C-N 3.33Å; V53-I55 PolarHBondContact O-N 3.34Å; V53-G56 PolarHBondContact O-N 3.41Å; V53-A57 VanDerWaalsContact O-CB 3.3Å; V53-A57 WeakPolarHBondContact O-CB 3.37Å; V53-A57 PolarHBondContact O-N 3.26Å; V53-V170 HydrophobicContact CG1-CG1 3.79Å; V53-I174 HydrophobicContact CB-CG1 3.98Å; V53-I174 HydrophobicContact CG1-CG1 3.92Å; V53-I174 HydrophobicContact CG2-CB 4.39Å; V53-I174 HydrophobicContact CG2-CD1 4.42Å; V53-I174 HydrophobicContact CG2-CG1 3.87Å; V53-I174 HydrophobicContact CG2-CG2 4.05Å
54T98.8Very high98.5Very high19 Ų1932.9 Ų32.912%0.11719%0.19CC..Hα-helixtrans-54.2-50.4174-61.40000111.4G50 A51 A57 Y58 P167 I168 G171G50-T54 PolarHBondContact O-N 3.09Å; G50-T54 VanDerWaalsContact O-N 3.16Å; G50-T54 PolarHBondContact O-OG1 2.8Å; A51-T54 WeakPolarHBondContact O-CB 3.46Å; A51-T54 PolarHBondContact O-N 2.95Å; T54-A57 PolarHBondContact O-N 2.98Å; T54-Y58 HydrophobicContact CG2-CD2 3.79Å; T54-Y58 HydrophobicContact CG2-CE2 3.5Å; T54-Y58 VanDerWaalsContact CG2-CE2 3.5Å; T54-Y58 WeakPolarHBondContact O-CD2 3.31Å; T54-Y58 PolarHBondContact O-N 3.09Å; T54-P167 HydrophobicContact CG2-CB 4.47Å; T54-P167 PolarHBondContact OG1-O 2.96Å; T54-I168 HydrophobicContact CG2-CG1 3.97Å; T54-G171 VanDerWaalsContact OG1-CA 3.3Å; T54-G171 WeakPolarHBondContact OG1-CA 3.22Å
55I98.9Very high98.4Very high86 Ų8635.9 Ų35.944%0.44120%0.197SC..Hα-helixtrans-70.7-38.9-176.9-61.2-58.6000111.5V18 L22 A51 A52 V53 A57 Y58 A59V18-I55 HydrophobicContact CG1-CB 4.39Å; V18-I55 HydrophobicContact CG1-CG2 3.8Å; L22-I55 HydrophobicContact CD1-CB 4.03Å; L22-I55 HydrophobicContact CD1-CG2 3.94Å; A51-I55 WeakPolarHBondContact O-CG1 3.42Å; A51-I55 PolarHBondContact O-N 2.94Å; A52-I55 PolarHBondContact O-N 3.2Å; V53-I55 VanDerWaalsContact C-N 3.33Å; V53-I55 PolarHBondContact O-N 3.34Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 2.98Å; I55-Y58 PolarHBondContact O-N 2.73Å; I55-A59 WeakPolarHBondContact O-CB 3.48Å; I55-A59 PolarHBondContact O-N 2.93Å
56G98.9Very high98.4Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-60.3-42.5173.100000112.2G15 A52 V53 A59 A60 L68G15-G56 WeakPolarHBondContact CA-O 3.5Å; A52-G56 PolarHBondContact O-N 3.28Å; V53-G56 PolarHBondContact O-N 3.41Å; G56-A59 PolarHBondContact O-N 2.83Å; G56-A60 PolarHBondContact O-N 3.41Å; G56-A60 VanDerWaalsContact O-N 3.08Å; G56-L68 VanDerWaalsContact C-CD1 3.45Å
57A98.7Very high98.4Very high10 Ų1037.2 Ų37.28%0.08321%0.207CC..Hα-helixtrans-66.3-40.7177.500000112.2V53 T54 I55 A59 A60 G61 A66 P167V53-A57 VanDerWaalsContact O-CB 3.3Å; V53-A57 WeakPolarHBondContact O-CB 3.37Å; V53-A57 PolarHBondContact O-N 3.26Å; T54-A57 PolarHBondContact O-N 2.98Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 2.98Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A57-A60 PolarHBondContact O-N 3.1Å; A57-G61 WeakPolarHBondContact O-CA 3.38Å; A57-G61 PolarHBondContact O-N 2.69Å; A57-A66 HydrophobicContact CB-CB 4.29Å; A57-P167 HydrophobicContact CB-CB 3.93Å; A57-P167 HydrophobicContact CB-CG 4.34Å
58Y98.6Very high98.4Very high94 Ų9433.1 Ų33.137%0.36919%0.186SC..Hα-helixtrans-63-39.6171.4-78.3-56000112.9T54 I55 A60 G164 P167 I168T54-Y58 HydrophobicContact CG2-CD2 3.79Å; T54-Y58 HydrophobicContact CG2-CE2 3.5Å; T54-Y58 VanDerWaalsContact CG2-CE2 3.5Å; T54-Y58 WeakPolarHBondContact O-CD2 3.31Å; T54-Y58 PolarHBondContact O-N 3.09Å; I55-Y58 PolarHBondContact O-N 2.73Å; Y58-A60 VanDerWaalsContact C-N 3.25Å; Y58-A60 PolarHBondContact O-N 3.28Å; Y58-G164 VanDerWaalsContact CE1-O 3.29Å; Y58-G164 WeakPolarHBondContact CE1-O 3.43Å; Y58-G164 VanDerWaalsContact CZ-O 3.31Å; Y58-G164 PolarHBondContact OH-O 3.24Å; Y58-P167 HydrophobicContact CD1-CB 4.07Å; Y58-P167 HydrophobicContact CD1-CG 3.81Å; Y58-P167 HydrophobicContact CD2-CB 4.07Å; Y58-P167 HydrophobicContact CE1-CB 3.87Å; Y58-P167 HydrophobicContact CE1-CG 3.63Å; Y58-P167 HydrophobicContact CE2-CB 3.9Å; Y58-P167 HydrophobicContact CG-CB 4.15Å; Y58-P167 HydrophobicContact CG-CG 4.34Å; Y58-I168 HydrophobicContact CE2-CG1 4.2Å; Y58-I168 WeakPolarHBondContact OH-CD1 3.19Å; Y58-I168 WeakPolarHBondContact OH-CG1 3.21Å
59A98.6Very high98.4Very high26 Ų2632.6 Ų32.622%0.21518%0.178CC..Hα-helixtrans-67-25.8179.500000113.1I14 V18 I55 G56 A57 Y62 M63I14-A59 HydrophobicContact CG2-CB 4.21Å; V18-A59 HydrophobicContact CG2-CB 4.14Å; I55-A59 WeakPolarHBondContact O-CB 3.48Å; I55-A59 PolarHBondContact O-N 2.93Å; G56-A59 PolarHBondContact O-N 2.83Å; A57-A59 VanDerWaalsContact C-N 3.34Å; A59-Y62 WeakPolarHBondContact O-CE1 3.36Å; A59-M63 WeakPolarHBondContact O-CE 3.35Å
60A98.5Very high98.5Very high0 Ų032.6 Ų32.60%018%0.179CC..Hα-helixtrans-102.8-27-179.100000114.4G11 G56 A57 Y58 Y62 M63 S64 A66 L68G11-A60 WeakPolarHBondContact O-CB 3.5Å; G56-A60 PolarHBondContact O-N 3.41Å; G56-A60 VanDerWaalsContact O-N 3.08Å; A57-A60 PolarHBondContact O-N 3.1Å; Y58-A60 VanDerWaalsContact C-N 3.25Å; Y58-A60 PolarHBondContact O-N 3.28Å; A60-Y62 PolarHBondContact O-N 2.96Å; A60-M63 WeakPolarHBondContact O-CA 3.47Å; A60-M63 PolarHBondContact O-N 2.6Å; A60-S64 PolarHBondContact O-N 2.9Å; A60-A66 HydrophobicContact CB-CB 3.85Å; A60-L68 HydrophobicContact CB-CD2 3.94Å
61G97.2Very high98.5Very high41 Ų4132.3 Ų32.342%0.42318%0.177SC..THydrogen-bonded Turntrans-64.9-16.7-163.900000116.1A57A57-G61 WeakPolarHBondContact O-CA 3.38Å; A57-G61 PolarHBondContact O-N 2.69Å
62Y96.3Very high98.5Very high162 Ų16230 Ų3064%0.63516%0.157SC*.THydrogen-bonded Turntrans-87-8.9172.370.9-88.3000113.2A59 A60A59-Y62 WeakPolarHBondContact O-CE1 3.36Å; A60-Y62 PolarHBondContact O-N 2.96Å
63M98.2Very high98.5Very high15 Ų1530 Ų307%0.07416%0.157CC..THydrogen-bonded Turntrans-114.2-39.6-178.6-65.7-178.7-76.200112.8M1 T3 T7 Q8 I10 I14 A59 A60M1-M63 VanDerWaalsContact CE-O 3.31Å; M1-M63 WeakPolarHBondContact CE-O 3.37Å; T3-M63 WeakPolarHBondContact CB-O 3.19Å; T3-M63 PolarHBondContact OG1-O 3.27Å; T7-M63 HydrophobicContact CG2-CB 3.98Å; T7-M63 HydrophobicContact CG2-CG 4.15Å; Q8-M63 WeakPolarHBondContact CA-O 3.3Å; Q8-M63 VanDerWaalsContact CG-O 3.3Å; Q8-M63 WeakPolarHBondContact CG-O 3.28Å; I10-M63 HydrophobicContact CG2-SD 4.05Å; I14-M63 HydrophobicContact CB-CE 4.25Å; I14-M63 HydrophobicContact CD1-CE 3.73Å; I14-M63 HydrophobicContact CD1-SD 4.25Å; I14-M63 HydrophobicContact CG2-CE 4.38Å; A59-M63 WeakPolarHBondContact O-CE 3.35Å; A60-M63 WeakPolarHBondContact O-CA 3.47Å; A60-M63 PolarHBondContact O-N 2.6Å
64S98.3Very high98.5Very high2 Ų230.5 Ų30.51%0.01416%0.158CC..SBendtrans-133.9179.7-178.175.50000112.6Q8 E12 A60 A66Q8-S64 VanDerWaalsContact O-CB 3.27Å; Q8-S64 WeakPolarHBondContact O-CB 3.2Å; E12-S64 WeakPolarHBondContact OE1-CB 3.43Å; E12-S64 PolarHBondContact OE1-OG 3.31Å; A60-S64 PolarHBondContact O-N 2.9Å; S64-A66 PolarHBondContact O-N 3.01Å; S64-A66 PolarHBondContact OG-N 3.42Å
65F97.6Very high98.5Very high90 Ų9029.6 Ų29.640%0.39515%0.153SC..  trans-70.2-0.6168.4-69.2-70000113.8M1 H67 I82 Y90M1-F65 HydrophobicContact CB-CD1 4.32Å; M1-F65 HydrophobicContact CB-CD2 4.32Å; M1-F65 HydrophobicContact CB-CE1 3.69Å; M1-F65 HydrophobicContact CB-CE2 3.67Å; M1-F65 HydrophobicContact CB-CZ 3.34Å; M1-F65 HydrophobicContact CG-CZ 4.48Å; F65-H67 PolarHBondContact O-N 2.94Å; F65-I82 HydrophobicContact CD2-CD1 3.88Å; F65-I82 HydrophobicContact CD2-CG1 4.18Å; F65-I82 HydrophobicContact CE2-CD1 4.29Å; F65-I82 HydrophobicContact CE2-CG1 4.11Å; F65-Y90 HydrophobicContact CB-CE1 4.37Å; F65-Y90 WeakPolarHBondContact CD2-OH 3.3Å; F65-Y90 PolarHBondContact N-OH 2.93Å
66A98.3Very high98.5Very high23 Ų2326.4 Ų26.419%0.1914%0.137CC..  trans5250.2-179.700000113E12 A57 A60 S64E12-A66 VanDerWaalsContact OE1-CA 3.29Å; E12-A66 WeakPolarHBondContact OE1-CA 3.24Å; E12-A66 PolarHBondContact OE1-N 3.27Å; A57-A66 HydrophobicContact CB-CB 4.29Å; A60-A66 HydrophobicContact CB-CB 3.85Å; S64-A66 PolarHBondContact O-N 3.01Å; S64-A66 PolarHBondContact OG-N 3.42Å
67H98.7Very high98.4Very high24 Ų2426.6 Ų26.611%0.11114%0.138CC..  trans-70.2-44.1177-71.8174.1000111.1E12 F65 N69 V72 T73 Y90E12-H67 PolarHBondContact OE1-N 2.93Å; E12-H67 PolarHBondContact OE2-N 3.35Å; F65-H67 PolarHBondContact O-N 2.94Å; H67-N69 VanDerWaalsContact O-CB 3.24Å; H67-N69 WeakPolarHBondContact O-CB 3.31Å; H67-N69 PolarHBondContact O-N 3Å; H67-V72 HydrophobicContact CB-CB 4.48Å; H67-V72 HydrophobicContact CB-CG1 4.14Å; H67-T73 WeakPolarHBondContact CB-OG1 3.33Å; H67-T73 WeakPolarHBondContact ND1-CA 3.39Å; H67-T73 PolarHBondContact ND1-OG1 2.73Å; H67-T73 VanDerWaalsContact ND1-OG1 3.1Å; H67-Y90 HydrophobicContact CB-CD1 4.24Å; H67-Y90 HydrophobicContact CB-CE1 4.47Å; H67-Y90 AromaticContact ND1-CD1 3.65Å; H67-Y90 AromaticContact ND1-CE1 3.79Å
68L98.9Very high98.4Very high3 Ų327.9 Ų27.92%0.01614%0.143CC..  trans53.619.9176.9-41.2-175.6000113.1E12 T16 L19 G56 A60 N190E12-L68 PolarHBondContact OE2-N 3.47Å; T16-L68 WeakPolarHBondContact OG1-CA 3.34Å; L19-L68 HydrophobicContact CD1-CB 3.92Å; L19-L68 HydrophobicContact CD1-CD1 4.31Å; G56-L68 VanDerWaalsContact C-CD1 3.45Å; A60-L68 HydrophobicContact CB-CD2 3.94Å; L68-N190 PolarHBondContact O-ND2 3.21Å
69N98.9Very high98.4Very high7 Ų724.1 Ų24.14%0.03713%0.131CC..SBendtrans-161.6119.7-165.5-177-24.2000110.6H67 A71 V72 T73 Q94 I189 N190 P191H67-N69 VanDerWaalsContact O-CB 3.24Å; H67-N69 WeakPolarHBondContact O-CB 3.31Å; H67-N69 PolarHBondContact O-N 3Å; N69-A71 PolarHBondContact O-N 2.93Å; N69-A71 WeakPolarHBondContact OD1-CA 3.45Å; N69-A71 WeakPolarHBondContact OD1-CB 3.2Å; N69-A71 PolarHBondContact OD1-N 3.26Å; N69-V72 HydrophobicContact CB-CB 3.91Å; N69-V72 HydrophobicContact CB-CG2 3.75Å; N69-V72 PolarHBondContact O-N 3.1Å; N69-V72 PolarHBondContact OD1-N 3.21Å; N69-T73 PolarHBondContact O-N 2.94Å; N69-T73 PolarHBondContact O-OG1 3.07Å; N69-Q94 VanDerWaalsContact N-CD 3.32Å; N69-I189 PolarHBondContact ND2-O 3.48Å; N69-N190 WeakPolarHBondContact CA-OD1 3.24Å; N69-N190 HydrophobicContact CB-CB 4.29Å; N69-N190 WeakPolarHBondContact CB-ND2 3.39Å; N69-N190 WeakPolarHBondContact ND2-CA 3.36Å; N69-N190 WeakPolarHBondContact ND2-CB 3.37Å; N69-N190 WeakPolarHBondContact OD1-CA 3.39Å; N69-P191 WeakPolarHBondContact OD1-CD 3.45Å
70P98.9Very high98.3Very high6 Ų626 Ų264%0.03915%0.153CC..Hα-helixtrans-59.8-39.3177-31.938.7000114.2T73 I74 I91 N190 P191 A192P70-T73 PolarHBondContact O-N 3.14Å; P70-I74 WeakPolarHBondContact O-CG1 3.43Å; P70-I74 PolarHBondContact O-N 3.34Å; P70-I91 HydrophobicContact CB-CD1 4.13Å; P70-I91 HydrophobicContact CB-CG1 3.82Å; P70-I91 HydrophobicContact CB-CG2 4.36Å; P70-I91 HydrophobicContact CG-CG1 4.21Å; P70-I91 HydrophobicContact CG-CG2 4.18Å; P70-N190 WeakPolarHBondContact CD-OD1 3.35Å; P70-P191 HydrophobicContact CB-CB 4.12Å; P70-P191 HydrophobicContact CB-CG 4.07Å; P70-P191 HydrophobicContact CG-CB 4.06Å; P70-P191 HydrophobicContact CG-CG 4.47Å; P70-A192 VanDerWaalsContact CD-CB 3.47Å; P70-A192 HydrophobicContact CG-CB 3.87Å
71A98.9Very high98.2Very high0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-68.6-37.9179.600000112N69 G75 T146 P191 P224N69-A71 PolarHBondContact O-N 2.93Å; N69-A71 WeakPolarHBondContact OD1-CA 3.45Å; N69-A71 WeakPolarHBondContact OD1-CB 3.2Å; N69-A71 PolarHBondContact OD1-N 3.26Å; A71-G75 PolarHBondContact O-N 3.24Å; A71-T146 HydrophobicContact CB-CG2 3.79Å; A71-P191 HydrophobicContact CB-CG 4.4Å; A71-P224 HydrophobicContact CB-CB 3.84Å; A71-P224 WeakPolarHBondContact CB-O 3.38Å
72V98.9Very high98.2Very high6 Ų630.1 Ų30.14%0.03616%0.16CC..Hα-helixtrans-64.5-44.5171.8174.40000109.9H67 N69 I74 G75 M76 L149 V150 L153H67-V72 HydrophobicContact CB-CB 4.48Å; H67-V72 HydrophobicContact CB-CG1 4.14Å; N69-V72 HydrophobicContact CB-CB 3.91Å; N69-V72 HydrophobicContact CB-CG2 3.75Å; N69-V72 PolarHBondContact O-N 3.1Å; N69-V72 PolarHBondContact OD1-N 3.21Å; V72-I74 PolarHBondContact O-N 3.01Å; V72-G75 PolarHBondContact O-N 3.44Å; V72-M76 HydrophobicContact CG1-CE 4.22Å; V72-M76 HydrophobicContact CG1-CG 3.94Å; V72-M76 VanDerWaalsContact O-CB 3.3Å; V72-M76 WeakPolarHBondContact O-CB 3.27Å; V72-M76 WeakPolarHBondContact O-CG 3.46Å; V72-M76 PolarHBondContact O-N 3.29Å; V72-L149 HydrophobicContact CG2-CD2 3.98Å; V72-L149 HydrophobicContact CG2-CG 4.29Å; V72-V150 HydrophobicContact CG2-CG2 4.17Å; V72-L153 HydrophobicContact CB-CD1 4.43Å; V72-L153 HydrophobicContact CG1-CD1 3.79Å; V72-L153 HydrophobicContact CG2-CD1 3.69Å
73T98.9Very high98.3Very high0 Ų024 Ų240%015%0.146CC..Hα-helixtrans-59.1-46.4179.5-57.20000112.1H67 N69 P70 A77 V87 Y90 Q94H67-T73 WeakPolarHBondContact CB-OG1 3.33Å; H67-T73 WeakPolarHBondContact ND1-CA 3.39Å; H67-T73 PolarHBondContact ND1-OG1 2.73Å; H67-T73 VanDerWaalsContact ND1-OG1 3.1Å; N69-T73 PolarHBondContact O-N 2.94Å; N69-T73 PolarHBondContact O-OG1 3.07Å; P70-T73 PolarHBondContact O-N 3.14Å; T73-A77 WeakPolarHBondContact O-CB 3.49Å; T73-A77 PolarHBondContact O-N 2.97Å; T73-V87 HydrophobicContact CG2-CB 4.29Å; T73-V87 HydrophobicContact CG2-CG1 4.23Å; T73-V87 HydrophobicContact CG2-CG2 4.21Å; T73-Y90 HydrophobicContact CG2-CD1 4.21Å; T73-Y90 HydrophobicContact CG2-CG 4.29Å; T73-Q94 PolarHBondContact OG1-NE2 3.22Å
74I98.9Very high98.3Very high26 Ų2630.8 Ų30.813%0.13317%0.171CC..Hα-helixtrans-65-46.8176.8-67.7164.6000110.9P70 V72 M76 A77 I78 V87 I91 I225 I229P70-I74 WeakPolarHBondContact O-CG1 3.43Å; P70-I74 PolarHBondContact O-N 3.34Å; V72-I74 PolarHBondContact O-N 3.01Å; I74-M76 VanDerWaalsContact C-N 3.35Å; I74-M76 PolarHBondContact O-N 3.49Å; I74-A77 PolarHBondContact O-N 2.79Å; I74-I78 HydrophobicContact CG2-CD1 3.99Å; I74-I78 WeakPolarHBondContact O-CG1 3.49Å; I74-I78 PolarHBondContact O-N 3.46Å; I74-V87 HydrophobicContact CG1-CG1 4.07Å; I74-I91 HydrophobicContact CD1-CD1 4.26Å; I74-I91 HydrophobicContact CG1-CD1 4.33Å; I74-I225 HydrophobicContact CD1-CD1 4.34Å; I74-I225 HydrophobicContact CD1-CG1 4.12Å; I74-I225 HydrophobicContact CD1-CG2 4.27Å; I74-I229 HydrophobicContact CG2-CD1 4.38Å; I74-I229 HydrophobicContact CG2-CG1 3.96Å
75G98.8Very high98.3Very high0 Ų035.9 Ų35.90%020%0.198CC..Hα-helixtrans-60.3-42.9178.500000112.7A71 V72 I78 A79 A232A71-G75 PolarHBondContact O-N 3.24Å; V72-G75 PolarHBondContact O-N 3.44Å; G75-I78 PolarHBondContact O-N 3.3Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.95Å; G75-A232 VanDerWaalsContact O-CB 3.26Å; G75-A232 WeakPolarHBondContact O-CB 3.49Å
76M98.7Very high98.3Very high20 Ų2032.2 Ų32.210%0.09918%0.182CC..Hα-helixtrans-66.6-35.7176-69.1-59.3175.300112.2V72 I74 A79 G80 K81 I82 L153 L154V72-M76 HydrophobicContact CG1-CE 4.22Å; V72-M76 HydrophobicContact CG1-CG 3.94Å; V72-M76 VanDerWaalsContact O-CB 3.3Å; V72-M76 WeakPolarHBondContact O-CB 3.27Å; V72-M76 WeakPolarHBondContact O-CG 3.46Å; V72-M76 PolarHBondContact O-N 3.29Å; I74-M76 VanDerWaalsContact C-N 3.35Å; I74-M76 PolarHBondContact O-N 3.49Å; M76-A79 CarbonylContact O-C 3.56Å; M76-A79 PolarHBondContact O-N 3.31Å; M76-G80 PolarHBondContact O-N 3.44Å; M76-K81 HydrophobicContact CB-CB 4.16Å; M76-K81 PolarHBondContact O-N 2.97Å; M76-K81 HydrophobicContact SD-CB 4.04Å; M76-K81 HydrophobicContact SD-CG 4.08Å; M76-I82 HydrophobicContact CB-CG2 4.05Å; M76-L153 HydrophobicContact CE-CB 3.5Å; M76-L153 VanDerWaalsContact CE-CB 3.5Å; M76-L153 HydrophobicContact CE-CD1 4.27Å; M76-L154 HydrophobicContact CE-CD2 4.23Å; M76-L154 HydrophobicContact CE-CG 4.37Å; M76-L154 HydrophobicContact SD-CD2 3.63Å; M76-L154 HydrophobicContact SD-CG 4.33Å
77A98.7Very high98.3Very high3 Ų331.7 Ų31.73%0.02518%0.177CC..Hα-helixtrans-67.2-41.617600000111.6T73 I74 A79 G80 I82 W84 V87T73-A77 WeakPolarHBondContact O-CB 3.49Å; T73-A77 PolarHBondContact O-N 2.97Å; I74-A77 PolarHBondContact O-N 2.79Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 3Å; A77-G80 PolarHBondContact O-N 3.15Å; A77-G80 VanDerWaalsContact O-N 3.15Å; A77-I82 HydrophobicContact CB-CG2 3.79Å; A77-W84 HydrophobicContact CB-CD2 3.99Å; A77-W84 HydrophobicContact CB-CE3 4.14Å; A77-W84 HydrophobicContact CB-CH2 4.25Å; A77-W84 HydrophobicContact CB-CZ2 4.09Å; A77-W84 HydrophobicContact CB-CZ3 4.27Å; A77-V87 HydrophobicContact CB-CG2 3.53Å
78I98.6Very high98.3Very high38 Ų3835.1 Ų35.120%0.19520%0.199CC..Hα-helixtrans-60.8-44.6173.4-70.8169.4000110.8I74 G75 G80 W84 I229 A232 L233 M236I74-I78 HydrophobicContact CG2-CD1 3.99Å; I74-I78 WeakPolarHBondContact O-CG1 3.49Å; I74-I78 PolarHBondContact O-N 3.46Å; G75-I78 PolarHBondContact O-N 3.3Å; I78-G80 PolarHBondContact O-N 3.04Å; I78-G80 VanDerWaalsContact O-N 3.16Å; I78-W84 HydrophobicContact CG1-CH2 3.81Å; I78-W84 HydrophobicContact CG1-CZ2 3.66Å; I78-I229 HydrophobicContact CD1-CB 4.12Å; I78-I229 HydrophobicContact CD1-CG1 3.6Å; I78-I229 HydrophobicContact CD1-CG2 4.03Å; I78-A232 HydrophobicContact CB-CB 4.07Å; I78-A232 HydrophobicContact CG2-CB 3.81Å; I78-L233 HydrophobicContact CG2-CD2 4.06Å; I78-L233 HydrophobicContact CG2-CG 4.44Å; I78-M236 HydrophobicContact CG2-CE 3.53Å
79A98Very high98.3Very high15 Ų1536.4 Ų36.412%0.12421%0.207CC..THydrogen-bonded Turntrans-74.75.9177.900000114.4G75 M76 A77 K81 L154 A232G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.95Å; M76-A79 CarbonylContact O-C 3.56Å; M76-A79 PolarHBondContact O-N 3.31Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 3Å; A79-K81 VanDerWaalsContact C-N 3.26Å; A79-K81 HydrophobicContact CB-CG 4.12Å; A79-K81 PolarHBondContact O-N 3.41Å; A79-L154 HydrophobicContact CB-CD1 4.21Å; A79-L154 HydrophobicContact CB-CD2 3.54Å; A79-A232 HydrophobicContact CB-CB 4.37Å
80G97.1Very high98.3Very high64 Ų6436 Ų3666%0.6621%0.206SC*.THydrogen-bonded Turntrans67.321.617900000114.6M76 A77 I78M76-G80 PolarHBondContact O-N 3.44Å; A77-G80 PolarHBondContact O-N 3.15Å; A77-G80 VanDerWaalsContact O-N 3.15Å; I78-G80 PolarHBondContact O-N 3.04Å; I78-G80 VanDerWaalsContact O-N 3.16Å
81K96.4Very high98.3Very high115 Ų11537.8 Ų37.850%0.521%0.214SC..SBendtrans-91.5-14.6-179.7-54.8-54.6-179-178.10113.3M76 A79 L154M76-K81 HydrophobicContact CB-CB 4.16Å; M76-K81 PolarHBondContact O-N 2.97Å; M76-K81 HydrophobicContact SD-CB 4.04Å; M76-K81 HydrophobicContact SD-CG 4.08Å; A79-K81 VanDerWaalsContact C-N 3.26Å; A79-K81 HydrophobicContact CB-CG 4.12Å; A79-K81 PolarHBondContact O-N 3.41Å; K81-L154 HydrophobicContact CG-CD2 4.12Å
82I97.1Very high98.3Very high14 Ų1442.8 Ų42.87%0.07224%0.24CC..SBendtrans-144150171.6-166.1173.3000109.6F65 M76 A77 M86 Y90F65-I82 HydrophobicContact CD2-CD1 3.88Å; F65-I82 HydrophobicContact CD2-CG1 4.18Å; F65-I82 HydrophobicContact CE2-CD1 4.29Å; F65-I82 HydrophobicContact CE2-CG1 4.11Å; M76-I82 HydrophobicContact CB-CG2 4.05Å; A77-I82 HydrophobicContact CB-CG2 3.79Å; I82-M86 HydrophobicContact CD1-CB 3.65Å; I82-M86 HydrophobicContact CD1-CG 4.31Å; I82-M86 HydrophobicContact CG1-CB 3.79Å; I82-M86 HydrophobicContact CG1-CG 4.12Å; I82-Y90 HydrophobicContact CD1-CD1 4.06Å; I82-Y90 HydrophobicContact CD1-CD2 4.44Å; I82-Y90 HydrophobicContact CD1-CE1 3.71Å; I82-Y90 HydrophobicContact CD1-CE2 4.14Å; I82-Y90 HydrophobicContact CD1-CG 4.41Å
83G97.4Very high98.3Very high34 Ų3442.5 Ų42.535%0.35124%0.239SC..  trans-67.8145.4174.400000112.7D85 M86G83-D85 VanDerWaalsContact C-OD1 3.26Å; G83-D85 WeakPolarHBondContact CA-OD1 3.36Å; G83-D85 PolarHBondContact O-N 3.42Å; G83-M86 WeakPolarHBondContact O-CB 3.47Å; G83-M86 PolarHBondContact O-N 3.02Å; G83-M86 VanDerWaalsContact O-N 3.08Å
84W98.3Very high98.3Very high157 Ų15742.5 Ų42.560%0.59524%0.239SC*.G310 helixtrans-64.3-26178.1-8199.1000113.4A77 I78 M86 V87A77-W84 HydrophobicContact CB-CD2 3.99Å; A77-W84 HydrophobicContact CB-CE3 4.14Å; A77-W84 HydrophobicContact CB-CH2 4.25Å; A77-W84 HydrophobicContact CB-CZ2 4.09Å; A77-W84 HydrophobicContact CB-CZ3 4.27Å; I78-W84 HydrophobicContact CG1-CH2 3.81Å; I78-W84 HydrophobicContact CG1-CZ2 3.66Å; W84-M86 PolarHBondContact O-N 3.37Å; W84-V87 HydrophobicContact CD2-CG2 4.49Å; W84-V87 HydrophobicContact CE3-CG2 3.84Å; W84-V87 HydrophobicContact CZ3-CG2 4.31Å; W84-V87 PolarHBondContact O-N 3.01Å
85D98.1Very high98.3Very high108 Ų10842.7 Ų42.758%0.57824%0.239SC*.G310 helixtrans-62.5-23.2172.961.6-50.3000113.1G83 P89G83-D85 VanDerWaalsContact C-OD1 3.26Å; G83-D85 WeakPolarHBondContact CA-OD1 3.36Å; G83-D85 PolarHBondContact O-N 3.42Å; D85-P89 VanDerWaalsContact O-CD 3.3Å; D85-P89 WeakPolarHBondContact O-CD 3.33Å; D85-P89 WeakPolarHBondContact O-CG 3.45Å
86M98.1Very high98.3Very high14 Ų1446.8 Ų46.87%0.06926%0.26CS..G310 helixtrans-88.2-16.9179-60.6-61.3-56.400113.6M5 Q8 I82 G83 W84 P89 Y90M5-M86 HydrophobicContact CB-CE 4.11Å; M5-M86 HydrophobicContact CB-SD 4.03Å; M5-M86 HydrophobicContact CE-SD 3.51Å; M5-M86 VanDerWaalsContact CE-SD 3.51Å; M5-M86 HydrophobicContact CG-CE 3.76Å; M5-M86 HydrophobicContact CG-SD 3.76Å; M5-M86 HydrophobicContact SD-SD 4.44Å; Q8-M86 HydrophobicContact CB-CE 4.09Å; I82-M86 HydrophobicContact CD1-CB 3.65Å; I82-M86 HydrophobicContact CD1-CG 4.31Å; I82-M86 HydrophobicContact CG1-CB 3.79Å; I82-M86 HydrophobicContact CG1-CG 4.12Å; G83-M86 WeakPolarHBondContact O-CB 3.47Å; G83-M86 PolarHBondContact O-N 3.02Å; G83-M86 VanDerWaalsContact O-N 3.08Å; W84-M86 PolarHBondContact O-N 3.37Å; M86-P89 WeakPolarHBondContact O-CD 3.45Å; M86-Y90 HydrophobicContact CB-CD2 4.23Å; M86-Y90 HydrophobicContact CB-CE2 4.35Å; M86-Y90 HydrophobicContact CE-CD2 3.81Å; M86-Y90 HydrophobicContact CE-CE2 3.29Å; M86-Y90 VanDerWaalsContact O-CB 3.31Å; M86-Y90 WeakPolarHBondContact O-CB 3.27Å; M86-Y90 WeakPolarHBondContact O-CD2 3.5Å; M86-Y90 PolarHBondContact O-N 3.15Å
87V98.7Very high98.3Very high12 Ų1245.8 Ų45.87%0.07326%0.255CS..Hα-helixtrans-61.8-53.6-170.61740000111.8T73 I74 A77 W84 Y90 I91T73-V87 HydrophobicContact CG2-CB 4.29Å; T73-V87 HydrophobicContact CG2-CG1 4.23Å; T73-V87 HydrophobicContact CG2-CG2 4.21Å; I74-V87 HydrophobicContact CG1-CG1 4.07Å; A77-V87 HydrophobicContact CB-CG2 3.53Å; W84-V87 HydrophobicContact CD2-CG2 4.49Å; W84-V87 HydrophobicContact CE3-CG2 3.84Å; W84-V87 HydrophobicContact CZ3-CG2 4.31Å; W84-V87 PolarHBondContact O-N 3.01Å; V87-Y90 PolarHBondContact O-N 3.12Å; V87-I91 HydrophobicContact CG1-CD1 3.76Å; V87-I91 VanDerWaalsContact O-CG1 3.24Å; V87-I91 WeakPolarHBondContact O-CG1 3.23Å; V87-I91 PolarHBondContact O-N 2.65Å
88V98.7Very high98.3Very high96 Ų9645.7 Ų45.758%0.58225%0.254SS*.Hα-helixtrans-64.7-47.8179.9174.70000111.6Y90 I91 L92V88-Y90 VanDerWaalsContact C-N 3.33Å; V88-Y90 PolarHBondContact O-N 3.47Å; V88-I91 PolarHBondContact O-N 3.36Å; V88-L92 HydrophobicContact CG1-CD1 4.02Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CG 3.24Å; V88-L92 PolarHBondContact O-N 2.82Å
89P98.7Very high98.4Very high29 Ų2946 Ų4619%0.18826%0.256CS..Hα-helixtrans-54-44.3174.2-28.634.4000114.1M5 V9 D85 M86 L92 G93M5-P89 HydrophobicContact CG-CB 4.44Å; M5-P89 HydrophobicContact SD-CB 4.44Å; M5-P89 HydrophobicContact SD-CG 4Å; V9-P89 HydrophobicContact CG2-CB 3.59Å; D85-P89 VanDerWaalsContact O-CD 3.3Å; D85-P89 WeakPolarHBondContact O-CD 3.33Å; D85-P89 WeakPolarHBondContact O-CG 3.45Å; M86-P89 WeakPolarHBondContact O-CD 3.45Å; P89-L92 PolarHBondContact O-N 3.14Å; P89-G93 PolarHBondContact O-N 3.27Å
90Y98.8Very high98.4Very high0 Ų048.4 Ų48.40%027%0.266CS..Hα-helixtrans-61.9-50.2177.3-92.4-131.9000111.3Q8 E12 F65 H67 T73 I82 M86 V87 V88 L92 G93 Q94Q8-Y90 HydrophobicContact CB-CE2 3.69Å; Q8-Y90 PolarHBondContact OE1-OH 2.91Å; E12-Y90 HydrophobicContact CG-CD1 3.54Å; E12-Y90 HydrophobicContact CG-CD2 4.13Å; E12-Y90 HydrophobicContact CG-CE1 3.7Å; E12-Y90 HydrophobicContact CG-CE2 4.25Å; E12-Y90 HydrophobicContact CG-CG 3.77Å; F65-Y90 HydrophobicContact CB-CE1 4.37Å; F65-Y90 WeakPolarHBondContact CD2-OH 3.3Å; F65-Y90 PolarHBondContact N-OH 2.93Å; H67-Y90 HydrophobicContact CB-CD1 4.24Å; H67-Y90 HydrophobicContact CB-CE1 4.47Å; H67-Y90 AromaticContact ND1-CD1 3.65Å; H67-Y90 AromaticContact ND1-CE1 3.79Å; T73-Y90 HydrophobicContact CG2-CD1 4.21Å; T73-Y90 HydrophobicContact CG2-CG 4.29Å; I82-Y90 HydrophobicContact CD1-CD1 4.06Å; I82-Y90 HydrophobicContact CD1-CD2 4.44Å; I82-Y90 HydrophobicContact CD1-CE1 3.71Å; I82-Y90 HydrophobicContact CD1-CE2 4.14Å; I82-Y90 HydrophobicContact CD1-CG 4.41Å; M86-Y90 HydrophobicContact CB-CD2 4.23Å; M86-Y90 HydrophobicContact CB-CE2 4.35Å; M86-Y90 HydrophobicContact CE-CD2 3.81Å; M86-Y90 HydrophobicContact CE-CE2 3.29Å; M86-Y90 VanDerWaalsContact O-CB 3.31Å; M86-Y90 WeakPolarHBondContact O-CB 3.27Å; M86-Y90 WeakPolarHBondContact O-CD2 3.5Å; M86-Y90 PolarHBondContact O-N 3.15Å; V87-Y90 PolarHBondContact O-N 3.12Å; V88-Y90 VanDerWaalsContact C-N 3.33Å; V88-Y90 PolarHBondContact O-N 3.47Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.12Å; Y90-G93 PolarHBondContact O-N 2.72Å; Y90-G93 VanDerWaalsContact O-N 3.16Å; Y90-Q94 WeakPolarHBondContact O-CB 3.43Å; Y90-Q94 VanDerWaalsContact O-CD 3.32Å; Y90-Q94 WeakPolarHBondContact O-CG 3.31Å; Y90-Q94 PolarHBondContact O-N 2.93Å
91I98.9Very high98.5Very high43 Ų4345.4 Ų45.422%0.22124%0.235CC..Hα-helixtrans-59.2-43.3-179.5-68.5172.7000110.8P70 I74 V87 V88 Q94 M95P70-I91 HydrophobicContact CB-CD1 4.13Å; P70-I91 HydrophobicContact CB-CG1 3.82Å; P70-I91 HydrophobicContact CB-CG2 4.36Å; P70-I91 HydrophobicContact CG-CG1 4.21Å; P70-I91 HydrophobicContact CG-CG2 4.18Å; I74-I91 HydrophobicContact CD1-CD1 4.26Å; I74-I91 HydrophobicContact CG1-CD1 4.33Å; V87-I91 HydrophobicContact CG1-CD1 3.76Å; V87-I91 VanDerWaalsContact O-CG1 3.24Å; V87-I91 WeakPolarHBondContact O-CG1 3.23Å; V87-I91 PolarHBondContact O-N 2.65Å; V88-I91 PolarHBondContact O-N 3.36Å; I91-Q94 PolarHBondContact O-N 3Å; I91-M95 HydrophobicContact CG2-CG 4.41Å; I91-M95 WeakPolarHBondContact O-CB 3.45Å; I91-M95 VanDerWaalsContact O-CG 3.23Å; I91-M95 WeakPolarHBondContact O-CG 3.42Å; I91-M95 PolarHBondContact O-N 2.99Å
92L98.8Very high98.6Very high105 Ų10539.9 Ų39.955%0.5521%0.211SC..Hα-helixtrans-62.6-45.3176.5-69176.6000111.8V88 P89 Y90 Q94 M95 I96V88-L92 HydrophobicContact CG1-CD1 4.02Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CG 3.24Å; V88-L92 PolarHBondContact O-N 2.82Å; P89-L92 PolarHBondContact O-N 3.14Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.12Å; L92-Q94 PolarHBondContact O-N 2.89Å; L92-M95 PolarHBondContact O-N 3.21Å; L92-I96 VanDerWaalsContact O-CG1 3.31Å; L92-I96 WeakPolarHBondContact O-CG1 3.47Å; L92-I96 PolarHBondContact O-N 3.46Å
93G98.9Very high98.7Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-59.8-45.2175.800000112.4I13 P89 Y90 M95 I96 G97I13-G93 WeakPolarHBondContact CA-O 3.49Å; I13-G93 VanDerWaalsContact CG1-O 3.26Å; I13-G93 WeakPolarHBondContact CG1-O 3.29Å; P89-G93 PolarHBondContact O-N 3.27Å; Y90-G93 PolarHBondContact O-N 2.72Å; Y90-G93 VanDerWaalsContact O-N 3.16Å; G93-M95 PolarHBondContact O-N 2.9Å; G93-I96 PolarHBondContact O-N 3.26Å; G93-G97 PolarHBondContact O-N 3.47Å
94Q98.9Very high98.8Very high0 Ų042.4 Ų42.40%022%0.217CC..Hα-helixtrans-60.1-45.8176.9-67.6157.82.500111.4E12 T16 N69 T73 Y90 I91 L92 I96 G97 A98 A192E12-Q94 HydrophobicContact CB-CG 4.12Å; E12-Q94 WeakPolarHBondContact OE2-CG 3.45Å; E12-Q94 PolarHBondContact OE2-NE2 3.04Å; T16-Q94 HydrophobicContact CG2-CB 4.35Å; T16-Q94 VanDerWaalsContact CG2-O 3.25Å; T16-Q94 WeakPolarHBondContact CG2-O 3.33Å; T16-Q94 WeakPolarHBondContact OG1-CA 3.45Å; N69-Q94 VanDerWaalsContact N-CD 3.32Å; T73-Q94 PolarHBondContact OG1-NE2 3.22Å; Y90-Q94 WeakPolarHBondContact O-CB 3.43Å; Y90-Q94 VanDerWaalsContact O-CD 3.32Å; Y90-Q94 WeakPolarHBondContact O-CG 3.31Å; Y90-Q94 PolarHBondContact O-N 2.93Å; I91-Q94 PolarHBondContact O-N 3Å; L92-Q94 PolarHBondContact O-N 2.89Å; Q94-I96 PolarHBondContact O-N 3.47Å; Q94-G97 PolarHBondContact O-N 2.81Å; Q94-A98 VanDerWaalsContact O-CB 3.24Å; Q94-A98 WeakPolarHBondContact O-CB 3.47Å; Q94-A98 PolarHBondContact O-N 3.21Å; Q94-A192 HydrophobicContact CB-CB 3.88Å
95M98.9Very high98.8Very high30 Ų3035 Ų3515%0.14819%0.189CC..Hα-helixtrans-62.9-42.5178-71.2-57.5-57.100112.6I91 L92 G93 A98 I99 A192 L195 I199I91-M95 HydrophobicContact CG2-CG 4.41Å; I91-M95 WeakPolarHBondContact O-CB 3.45Å; I91-M95 VanDerWaalsContact O-CG 3.23Å; I91-M95 WeakPolarHBondContact O-CG 3.42Å; I91-M95 PolarHBondContact O-N 2.99Å; L92-M95 PolarHBondContact O-N 3.21Å; G93-M95 PolarHBondContact O-N 2.9Å; M95-A98 PolarHBondContact O-N 3.25Å; M95-I99 WeakPolarHBondContact O-CG1 3.31Å; M95-I99 PolarHBondContact O-N 2.84Å; M95-A192 HydrophobicContact SD-CB 4.07Å; M95-L195 HydrophobicContact CE-CB 3.92Å; M95-L195 HydrophobicContact CE-CD2 3.89Å; M95-L195 HydrophobicContact CE-CG 3.7Å; M95-L195 HydrophobicContact SD-CB 4.39Å; M95-L195 HydrophobicContact SD-CD2 4.43Å; M95-I199 HydrophobicContact CE-CD1 3.99Å
96I98.9Very high98.8Very high85 Ų8531 Ų3144%0.43617%0.166SC..Hα-helixtrans-62.3-50.6175.6-69.2164.5000110.1I13 L92 G93 Q94 A98 I99 I100I13-I96 HydrophobicContact CD1-CG2 4.38Å; I13-I96 HydrophobicContact CG1-CB 4.3Å; I13-I96 HydrophobicContact CG1-CG2 4.27Å; I13-I96 HydrophobicContact CG2-CG2 4.27Å; L92-I96 VanDerWaalsContact O-CG1 3.31Å; L92-I96 WeakPolarHBondContact O-CG1 3.47Å; L92-I96 PolarHBondContact O-N 3.46Å; G93-I96 PolarHBondContact O-N 3.26Å; Q94-I96 PolarHBondContact O-N 3.47Å; I96-A98 VanDerWaalsContact C-N 3.31Å; I96-A98 PolarHBondContact O-N 2.91Å; I96-I99 PolarHBondContact O-N 3.46Å; I96-I100 HydrophobicContact CG2-CD1 3.76Å; I96-I100 HydrophobicContact CG2-CG1 4.5Å; I96-I100 VanDerWaalsContact O-CG1 3.31Å; I96-I100 WeakPolarHBondContact O-CG1 3.36Å; I96-I100 PolarHBondContact O-N 3.05Å
97G99Very high98.9Very high0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-56.1-46.2177.700000111.9I13 M17 G93 Q94 I99 I100 G101I13-G97 VanDerWaalsContact O-CA 3.24Å; I13-G97 WeakPolarHBondContact O-CA 3.36Å; M17-G97 WeakPolarHBondContact CA-O 3.15Å; M17-G97 WeakPolarHBondContact CB-O 3.37Å; G93-G97 PolarHBondContact O-N 3.47Å; Q94-G97 PolarHBondContact O-N 2.81Å; G97-I99 PolarHBondContact O-N 2.8Å; G97-I100 PolarHBondContact O-N 2.87Å; G97-G101 PolarHBondContact O-N 3.28Å
98A99Very high98.9Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-62.2-42.2179.500000113T16 V20 Q94 M95 I96 G101 A102 A192T16-A98 HydrophobicContact CG2-CB 3.83Å; V20-A98 WeakPolarHBondContact CG1-O 3.13Å; V20-A98 HydrophobicContact CG2-CB 3.87Å; Q94-A98 VanDerWaalsContact O-CB 3.24Å; Q94-A98 WeakPolarHBondContact O-CB 3.47Å; Q94-A98 PolarHBondContact O-N 3.21Å; M95-A98 PolarHBondContact O-N 3.25Å; I96-A98 VanDerWaalsContact C-N 3.31Å; I96-A98 PolarHBondContact O-N 2.91Å; A98-G101 PolarHBondContact O-N 3.3Å; A98-A102 WeakPolarHBondContact O-CB 3.5Å; A98-A102 PolarHBondContact O-N 2.93Å; A98-A192 HydrophobicContact CB-CB 4.43Å; A98-A192 WeakPolarHBondContact CB-O 3.28Å
99I99Very high98.9Very high44 Ų4438 Ų3823%0.22619%0.193CC..Hα-helixtrans-62.7-44.9174.5-69.5164.9000110.6M95 I96 G97 A102 V103 G196 I199 F203M95-I99 WeakPolarHBondContact O-CG1 3.31Å; M95-I99 PolarHBondContact O-N 2.84Å; I96-I99 PolarHBondContact O-N 3.46Å; G97-I99 PolarHBondContact O-N 2.8Å; I99-A102 PolarHBondContact O-N 2.9Å; I99-V103 HydrophobicContact CG2-CG2 4.47Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.15Å; I99-V103 PolarHBondContact O-N 3.31Å; I99-G196 WeakPolarHBondContact CG1-O 3.16Å; I99-I199 HydrophobicContact CD1-CG2 4.2Å; I99-F203 HydrophobicContact CG2-CE1 4.03Å; I99-F203 HydrophobicContact CG2-CZ 3.94Å
100I98.9Very high98.9Very high67 Ų6743.4 Ų43.434%0.34421%0.21SC..Hα-helixtrans-61.4-46.9178.5-64165.7000110.5I13 M17 I96 G97 A102 V103 L104I13-I100 HydrophobicContact CG2-CD1 4.33Å; M17-I100 HydrophobicContact CG-CB 4.2Å; M17-I100 HydrophobicContact CG-CG2 3.8Å; M17-I100 HydrophobicContact SD-CG2 3.64Å; I96-I100 HydrophobicContact CG2-CD1 3.76Å; I96-I100 HydrophobicContact CG2-CG1 4.5Å; I96-I100 VanDerWaalsContact O-CG1 3.31Å; I96-I100 WeakPolarHBondContact O-CG1 3.36Å; I96-I100 PolarHBondContact O-N 3.05Å; G97-I100 PolarHBondContact O-N 2.87Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 2.91Å; I100-V103 PolarHBondContact O-N 2.63Å; I100-L104 HydrophobicContact CG2-CD1 4.14Å; I100-L104 HydrophobicContact CG2-CG 4.46Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 3.46Å
101G99Very high98.8Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-56.7-45.8177.600000112.1G97 A98 V103 L104 V105G97-G101 PolarHBondContact O-N 3.28Å; A98-G101 PolarHBondContact O-N 3.3Å; G101-V103 PolarHBondContact O-N 3.29Å; G101-L104 WeakPolarHBondContact O-CB 3.42Å; G101-L104 PolarHBondContact O-N 2.89Å; G101-V105 WeakPolarHBondContact O-CG2 3.38Å; G101-V105 PolarHBondContact O-N 2.82Å
102A99Very high98.8Very high0 Ų047.8 Ų47.80%024%0.237CC..Hα-helixtrans-63.6-39.9177.300000113.2V20 A98 I99 I100 L104 V105 Y106 F126 P197 A200V20-A102 HydrophobicContact CG1-CB 4.2Å; A98-A102 WeakPolarHBondContact O-CB 3.5Å; A98-A102 PolarHBondContact O-N 2.93Å; I99-A102 PolarHBondContact O-N 2.9Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 2.91Å; A102-L104 VanDerWaalsContact C-N 3.31Å; A102-L104 PolarHBondContact O-N 3.29Å; A102-V105 PolarHBondContact O-N 2.94Å; A102-Y106 PolarHBondContact O-N 3.33Å; A102-F126 HydrophobicContact CB-CD1 3.9Å; A102-F126 HydrophobicContact CB-CE1 4.06Å; A102-P197 HydrophobicContact CB-CB 3.8Å; A102-P197 HydrophobicContact CB-CG 4.12Å; A102-A200 HydrophobicContact CB-CB 3.61Å
103V98.9Very high98.8Very high37 Ų3742.8 Ų42.822%0.22421%0.211CC..Hα-helixtrans-62.4-40.3173.91720000110.9I99 I100 G101 Y106 I107 F203 L204I99-V103 HydrophobicContact CG2-CG2 4.47Å; I99-V103 VanDerWaalsContact O-CG2 3.29Å; I99-V103 WeakPolarHBondContact O-CG2 3.15Å; I99-V103 PolarHBondContact O-N 3.31Å; I100-V103 PolarHBondContact O-N 2.63Å; G101-V103 PolarHBondContact O-N 3.29Å; V103-Y106 WeakPolarHBondContact O-CB 3.49Å; V103-Y106 PolarHBondContact O-N 3.47Å; V103-I107 HydrophobicContact CG1-CD1 3.98Å; V103-I107 WeakPolarHBondContact O-CG1 3.42Å; V103-I107 PolarHBondContact O-N 2.82Å; V103-F203 HydrophobicContact CG2-CE2 4.28Å; V103-F203 HydrophobicContact CG2-CZ 4.03Å; V103-L204 HydrophobicContact CG2-CD1 4.26Å; V103-L204 HydrophobicContact CG2-CD2 4.23Å
104L98.9Very high98.8Very high64 Ų6449.2 Ų49.234%0.33524%0.239SC..Hα-helixtrans-66.1-38.5176.7-68.6173.5000112.1M17 L21 I100 G101 A102 I107 H108M17-L104 HydrophobicContact CG-CD1 4.22Å; M17-L104 HydrophobicContact SD-CD1 4.13Å; L21-L104 HydrophobicContact CD1-CB 3.71Å; L21-L104 HydrophobicContact CD2-CB 4.49Å; L21-L104 HydrophobicContact CD2-CD1 4.12Å; I100-L104 HydrophobicContact CG2-CD1 4.14Å; I100-L104 HydrophobicContact CG2-CG 4.46Å; I100-L104 WeakPolarHBondContact O-CG 3.39Å; I100-L104 PolarHBondContact O-N 3.46Å; G101-L104 WeakPolarHBondContact O-CB 3.42Å; G101-L104 PolarHBondContact O-N 2.89Å; A102-L104 VanDerWaalsContact C-N 3.31Å; A102-L104 PolarHBondContact O-N 3.29Å; L104-I107 PolarHBondContact O-N 2.84Å; L104-H108 VanDerWaalsContact O-CB 3.32Å; L104-H108 WeakPolarHBondContact O-CB 3.39Å; L104-H108 PolarHBondContact O-N 3.32Å
105V98.9Very high98.8Very high1 Ų152.8 Ų52.81%0.00626%0.256CS..Hα-helixtrans-60.9-45.3171.9172.80000110.9L21 D24 A28 G101 A102 I107 H108 Y109 V125L21-V105 HydrophobicContact CD1-CG2 3.89Å; L21-V105 WeakPolarHBondContact O-CG2 3.45Å; D24-V105 HydrophobicContact CB-CG1 4.45Å; D24-V105 HydrophobicContact CB-CG2 4.01Å; A28-V105 HydrophobicContact CB-CG1 3.95Å; G101-V105 WeakPolarHBondContact O-CG2 3.38Å; G101-V105 PolarHBondContact O-N 2.82Å; A102-V105 PolarHBondContact O-N 2.94Å; V105-I107 PolarHBondContact O-N 3.49Å; V105-H108 PolarHBondContact O-N 3.16Å; V105-Y109 HydrophobicContact CG1-CD2 4.09Å; V105-Y109 PolarHBondContact O-N 3.36Å; V105-V125 HydrophobicContact CG1-CG1 3.9Å
106Y98.9Very high98.7Very high24 Ų2451.5 Ų51.59%0.09425%0.249CC..Hα-helixtrans-55.2-48.7174.5165.1-104.7000112.5A102 V103 Y110 W113 L204 I206A102-Y106 PolarHBondContact O-N 3.33Å; V103-Y106 WeakPolarHBondContact O-CB 3.49Å; V103-Y106 PolarHBondContact O-N 3.47Å; Y106-Y110 HydrophobicContact CE1-CD2 4.49Å; Y106-Y110 HydrophobicContact CE2-CD2 4.41Å; Y106-Y110 PolarHBondContact O-N 3.38Å; Y106-Y110 WeakPolarHBondContact OH-CE2 3.27Å; Y106-W113 AromaticContact CD2-CD1 3.81Å; Y106-W113 AromaticContact CD2-CE2 3.99Å; Y106-W113 AromaticContact CD2-NE1 3.44Å; Y106-W113 AromaticContact CE2-CD1 3.9Å; Y106-W113 PolarHBondContact O-NE1 3.33Å; Y106-L204 HydrophobicContact CD1-CD1 4.33Å; Y106-L204 HydrophobicContact CD1-CD2 3.77Å; Y106-L204 HydrophobicContact CE1-CD2 4.12Å; Y106-L204 HydrophobicContact CG-CD1 3.99Å; Y106-L204 HydrophobicContact CG-CD2 4.23Å; Y106-I206 HydrophobicContact CD2-CD1 4.48Å; Y106-I206 HydrophobicContact CD2-CG1 3.67Å; Y106-I206 HydrophobicContact CE2-CB 4.42Å; Y106-I206 HydrophobicContact CE2-CG1 3.82Å
107I98.8Very high98.7Very high100 Ų10053.7 Ų53.751%0.51326%0.256SS..Hα-helixtrans-64.1-45.3178.8-67.4166.6000110.8V103 L104 V105 Y109 Y110V103-I107 HydrophobicContact CG1-CD1 3.98Å; V103-I107 WeakPolarHBondContact O-CG1 3.42Å; V103-I107 PolarHBondContact O-N 2.82Å; L104-I107 PolarHBondContact O-N 2.84Å; V105-I107 PolarHBondContact O-N 3.49Å; I107-Y109 VanDerWaalsContact C-N 3.32Å; I107-Y109 PolarHBondContact O-N 3.5Å; I107-Y110 VanDerWaalsContact O-CB 3.32Å; I107-Y110 WeakPolarHBondContact O-CB 3.49Å; I107-Y110 PolarHBondContact O-N 2.89Å
108H98.8Very high98.7Very high136 Ų13657.7 Ų57.763%0.6328%0.277SS*.Hα-helixtrans-61.9-39.3-177-175.368.9000112.5L104 V105L104-H108 VanDerWaalsContact O-CB 3.32Å; L104-H108 WeakPolarHBondContact O-CB 3.39Å; L104-H108 PolarHBondContact O-N 3.32Å; V105-H108 PolarHBondContact O-N 3.16Å
109Y98.7Very high98.6Very high33 Ų3363 Ų6313%0.12930%0.302CS..THydrogen-bonded Turntrans-96.217.4179.5-73.9-82.2000114G25 A28 G29 L32 T35 V105 I107 P111 H112 W113G25-Y109 PolarHBondContact O-OH 3.47Å; G25-Y109 VanDerWaalsContact O-OH 3.13Å; A28-Y109 HydrophobicContact CB-CD1 4.36Å; A28-Y109 HydrophobicContact CB-CD2 3.46Å; A28-Y109 VanDerWaalsContact CB-CD2 3.46Å; A28-Y109 HydrophobicContact CB-CE1 4.3Å; A28-Y109 HydrophobicContact CB-CE2 3.35Å; A28-Y109 HydrophobicContact CB-CG 3.98Å; G29-Y109 WeakPolarHBondContact CA-OH 3.21Å; G29-Y109 PolarHBondContact N-OH 3Å; L32-Y109 HydrophobicContact CD1-CD1 3.99Å; L32-Y109 HydrophobicContact CD1-CG 3.9Å; T35-Y109 HydrophobicContact CG2-CD1 4.07Å; T35-Y109 HydrophobicContact CG2-CE1 3.83Å; V105-Y109 HydrophobicContact CG1-CD2 4.09Å; V105-Y109 PolarHBondContact O-N 3.36Å; I107-Y109 VanDerWaalsContact C-N 3.32Å; I107-Y109 PolarHBondContact O-N 3.5Å; Y109-P111 VanDerWaalsContact C-CD 3.49Å; Y109-H112 HydrophobicContact CD1-CB 4.46Å; Y109-H112 AromaticContact CD1-CD2 3.88Å; Y109-H112 WeakPolarHBondContact O-CB 3.21Å; Y109-H112 PolarHBondContact O-N 3.12Å; Y109-W113 PolarHBondContact O-NE1 3.47Å
110Y98.5Very high98.6Very high143 Ų14364.2 Ų64.256%0.56132%0.319SS*.Hα-helixtrans-44.4-47.3-168.8-178.2-102.7000115.5Y106 I107 H112 W113Y106-Y110 HydrophobicContact CE1-CD2 4.49Å; Y106-Y110 HydrophobicContact CE2-CD2 4.41Å; Y106-Y110 PolarHBondContact O-N 3.38Å; Y106-Y110 WeakPolarHBondContact OH-CE2 3.27Å; I107-Y110 VanDerWaalsContact O-CB 3.32Å; I107-Y110 WeakPolarHBondContact O-CB 3.49Å; I107-Y110 PolarHBondContact O-N 2.89Å; Y110-H112 PolarHBondContact O-N 2.93Å; Y110-W113 VanDerWaalsContact O-CD1 3.31Å
111P98.1Very high98.6Very high86 Ų8663 Ų6356%0.55831%0.314SS*.Hα-helixtrans-70-28.9179.2-18.833.7000114.2Y109 W113Y109-P111 VanDerWaalsContact C-CD 3.49Å; P111-W113 VanDerWaalsContact C-N 3.35Å; P111-W113 PolarHBondContact O-N 3.43Å
112H98.7Very high98.5Very high48 Ų4863 Ų6322%0.22231%0.314CS..Hα-helixtrans-74.2-23.9-172.2-64.1-85.1000113.2L32 R33 K34 Y109 Y110 K114 E115 T116L32-H112 HydrophobicContact CB-CB 4.15Å; L32-H112 HydrophobicContact CD1-CB 4.08Å; R33-H112 PolarHBondContact O-ND1 2.91Å; K34-H112 PolarHBondContact O-CE1 3.38Å; Y109-H112 HydrophobicContact CD1-CB 4.46Å; Y109-H112 AromaticContact CD1-CD2 3.88Å; Y109-H112 WeakPolarHBondContact O-CB 3.21Å; Y109-H112 PolarHBondContact O-N 3.12Å; Y110-H112 PolarHBondContact O-N 2.93Å; H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 3Å; H112-E115 PolarHBondContact O-N 2.92Å; H112-T116 PolarHBondContact O-N 3.25Å; H112-T116 VanDerWaalsContact O-N 3.16Å; H112-T116 PolarHBondContact O-OG1 2.94Å; H112-T116 VanDerWaalsContact O-OG1 3.08Å
113W98.6Very high98.5Very high0 Ų064 Ų640%032%0.32CS..Hα-helixtrans-61.5-38.8176.7-56.1117.3000112.3L32 Y106 Y109 Y110 P111 E115 T116 I122 V125 F126 I206 P207 N208L32-W113 HydrophobicContact CD1-CD2 4.2Å; L32-W113 HydrophobicContact CD1-CE3 3.93Å; L32-W113 HydrophobicContact CD1-CH2 3.79Å; L32-W113 HydrophobicContact CD1-CZ2 4.03Å; L32-W113 HydrophobicContact CD1-CZ3 3.75Å; L32-W113 HydrophobicContact CD2-CE3 3.74Å; L32-W113 HydrophobicContact CD2-CH2 4.38Å; L32-W113 HydrophobicContact CD2-CZ3 3.58Å; L32-W113 HydrophobicContact CG-CZ3 4.24Å; Y106-W113 AromaticContact CD2-CD1 3.81Å; Y106-W113 AromaticContact CD2-CE2 3.99Å; Y106-W113 AromaticContact CD2-NE1 3.44Å; Y106-W113 AromaticContact CE2-CD1 3.9Å; Y106-W113 PolarHBondContact O-NE1 3.33Å; Y109-W113 PolarHBondContact O-NE1 3.47Å; Y110-W113 VanDerWaalsContact O-CD1 3.31Å; P111-W113 VanDerWaalsContact C-N 3.35Å; P111-W113 PolarHBondContact O-N 3.43Å; W113-E115 VanDerWaalsContact C-N 3.27Å; W113-E115 PolarHBondContact O-N 3.27Å; W113-T116 PolarHBondContact O-N 3.06Å; W113-T116 VanDerWaalsContact O-O 3.1Å; W113-I122 HydrophobicContact CE3-CG1 4.5Å; W113-I122 HydrophobicContact CE3-CG2 4.25Å; W113-I122 HydrophobicContact CZ3-CG2 4.17Å; W113-V125 HydrophobicContact CH2-CB 4.16Å; W113-V125 HydrophobicContact CH2-CG1 3.85Å; W113-V125 HydrophobicContact CH2-CG2 4.26Å; W113-V125 HydrophobicContact CZ3-CB 4.4Å; W113-V125 HydrophobicContact CZ3-CG2 4.23Å; W113-F126 AromaticContact CH2-CE2 3.46Å; W113-F126 HydrophobicContact CH2-CE2 3.46Å; W113-F126 VanDerWaalsContact CH2-CE2 3.46Å; W113-F126 AromaticContact CH2-CZ 3.77Å; W113-F126 HydrophobicContact CH2-CZ 3.77Å; W113-F126 HydrophobicContact CZ2-CE2 4.24Å; W113-F126 HydrophobicContact CZ2-CZ 4.1Å; W113-F126 AromaticContact CZ3-CE2 3.81Å; W113-F126 HydrophobicContact CZ3-CE2 3.81Å; W113-F126 HydrophobicContact CZ3-CZ 4.47Å; W113-I206 HydrophobicContact CB-CG2 3.91Å; W113-I206 HydrophobicContact CD2-CG2 3.75Å; W113-I206 HydrophobicContact CE3-CG2 3.64Å; W113-I206 HydrophobicContact CG-CG2 3.85Å; W113-I206 HydrophobicContact CZ3-CG2 4.39Å; W113-P207 HydrophobicContact CB-CB 4.4Å; W113-P207 HydrophobicContact CB-CG 4.15Å; W113-N208 PolarHBondContact O-ND2 2.93Å
114K98.3Very high98.5Very high136 Ų13663.7 Ų63.759%0.59132%0.324SS*.Hα-helixtrans-65.9-33.1179.2-173.6176.4177.5-178.50112H112 K117 P207 N208H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 3Å; K114-K117 WeakPolarHBondContact O-CE 3.23Å; K114-K117 PolarHBondContact O-NZ 3.03Å; K114-P207 HydrophobicContact CB-CB 4.38Å; K114-N208 PolarHBondContact O-ND2 3.25Å; K114-N208 VanDerWaalsContact O-ND2 3.12Å
115E98.5Very high98.5Very high75 Ų7560.7 Ų60.735%0.3531%0.308SS..Hα-helixtrans-80.9-23.4-177-55.7-58.2126.700112.6R33 K34 H112 W113R33-E115 HydrophobicContact CB-CB 4.17Å; K34-E115 HydrophobicContact CD-CB 4.31Å; K34-E115 HydrophobicContact CD-CG 4.03Å; K34-E115 VanDerWaalsContact CE-OE2 3.3Å; K34-E115 WeakPolarHBondContact CE-OE2 3.3Å; K34-E115 IonicContact NZ-OE2 2.86Å; K34-E115 PolarHBondContact NZ-OE2 3.22Å; H112-E115 PolarHBondContact O-N 2.92Å; W113-E115 VanDerWaalsContact C-N 3.27Å; W113-E115 PolarHBondContact O-N 3.27Å
116T98.5Very high98.5Very high2 Ų260.6 Ų60.61%0.01231%0.308CS..  trans-89.9117.5177.3-52.10000109.8L32 R33 H112 W113 T121 I122 N208L32-T116 HydrophobicContact CD2-CG2 4.03Å; R33-T116 HydrophobicContact CG-CG2 4.47Å; R33-T116 PolarHBondContact N-OG1 3.34Å; H112-T116 PolarHBondContact O-N 3.25Å; H112-T116 VanDerWaalsContact O-N 3.16Å; H112-T116 PolarHBondContact O-OG1 2.94Å; H112-T116 VanDerWaalsContact O-OG1 3.08Å; W113-T116 PolarHBondContact O-N 3.06Å; W113-T116 VanDerWaalsContact O-O 3.1Å; T116-T121 HydrophobicContact CG2-CG2 3.81Å; T116-I122 HydrophobicContact CG2-CG1 3.96Å; T116-N208 PolarHBondContact O-ND2 2.91Å
117K98.2Very high98.5Very high131 Ų13159.6 Ų59.657%0.5730%0.304SS*.  trans-100.1-21.4-176.8-58.4-49.4-168.1-174.10114.3K114 Q119 N208K114-K117 WeakPolarHBondContact O-CE 3.23Å; K114-K117 PolarHBondContact O-NZ 3.03Å; K117-Q119 PolarHBondContact O-N 3.4Å; K117-N208 HydrophobicContact CD-CB 4.48Å; K117-N208 WeakPolarHBondContact CD-OD1 3.2Å; K117-N208 PolarHBondContact NZ-ND2 3.48Å; K117-N208 PolarHBondContact NZ-OD1 3.48Å
118D98.2Very high98.5Very high85 Ų8555.1 Ų55.146%0.45528%0.281SS..  trans-76.1118.5-179.2178.654.8000110.9A120 T121 I122D118-A120 VanDerWaalsContact C-N 3.34Å; D118-A120 PolarHBondContact O-N 3.34Å; D118-T121 PolarHBondContact O-N 2.89Å; D118-T121 WeakPolarHBondContact OD2-CB 3.46Å; D118-T121 PolarHBondContact OD2-N 3.41Å; D118-T121 PolarHBondContact OD2-OG1 2.93Å; D118-I122 PolarHBondContact O-N 2.94Å
119Q98.3Very high98.4Very high111 Ų11150.2 Ų50.252%0.51927%0.268SS..Hα-helixtrans-67.1-36.5-175.8-67.1-174.8-13.800112.2K117 I122 L123 N208 G210K117-Q119 PolarHBondContact O-N 3.4Å; Q119-I122 PolarHBondContact O-N 3.15Å; Q119-L123 PolarHBondContact O-N 2.97Å; Q119-N208 WeakPolarHBondContact CG-O 3.43Å; Q119-G210 VanDerWaalsContact CD-CA 3.44Å
120A97.8Very high98.3Very high70 Ų7050.2 Ų50.258%0.57927%0.272SS*.Hα-helixtrans-66.6-41.3179.400000111.1D118 I122 L123 G124D118-A120 VanDerWaalsContact C-N 3.34Å; D118-A120 PolarHBondContact O-N 3.34Å; A120-I122 PolarHBondContact O-N 3.22Å; A120-L123 PolarHBondContact O-N 2.58Å; A120-G124 PolarHBondContact O-N 3.06Å
121T98.1Very high98.3Very high41 Ų4147 Ų4725%0.25228%0.275SS..Hα-helixtrans-59.1-44.9173.1-64.20000111.6S31 T116 D118 G124 V125S31-T121 WeakPolarHBondContact O-CG2 3.47Å; T116-T121 HydrophobicContact CG2-CG2 3.81Å; D118-T121 PolarHBondContact O-N 2.89Å; D118-T121 WeakPolarHBondContact OD2-CB 3.46Å; D118-T121 PolarHBondContact OD2-N 3.41Å; D118-T121 PolarHBondContact OD2-OG1 2.93Å; T121-G124 PolarHBondContact O-N 3.17Å; T121-V125 PolarHBondContact O-N 3.25Å
122I98.7Very high98.3Very high0 Ų049.5 Ų49.50%028%0.282CS..Hα-helixtrans-63-49.2177.7-68.1169.8000110.9W113 T116 D118 Q119 A120 G124 V125 F126 I206 P207 N208 K209W113-I122 HydrophobicContact CE3-CG1 4.5Å; W113-I122 HydrophobicContact CE3-CG2 4.25Å; W113-I122 HydrophobicContact CZ3-CG2 4.17Å; T116-I122 HydrophobicContact CG2-CG1 3.96Å; D118-I122 PolarHBondContact O-N 2.94Å; Q119-I122 PolarHBondContact O-N 3.15Å; A120-I122 PolarHBondContact O-N 3.22Å; I122-G124 VanDerWaalsContact C-N 3.27Å; I122-G124 PolarHBondContact O-N 3.16Å; I122-V125 PolarHBondContact O-N 3.48Å; I122-F126 WeakPolarHBondContact O-CD2 3.38Å; I122-I206 HydrophobicContact CG2-CG2 3.84Å; I122-P207 WeakPolarHBondContact CD1-O 3.26Å; I122-N208 HydrophobicContact CD1-CB 3.93Å; I122-K209 HydrophobicContact CG2-CB 4.28Å
123L98.7Very high98.3Very high22 Ų2254 Ų5412%0.11530%0.297CS..Hα-helixtrans-60.3-40.4177.4175.259.9000111.2Q119 A120 V125 F126 A127 D213Q119-L123 PolarHBondContact O-N 2.97Å; A120-L123 PolarHBondContact O-N 2.58Å; L123-V125 PolarHBondContact O-N 3.44Å; L123-V125 VanDerWaalsContact O-N 3.13Å; L123-F126 PolarHBondContact O-N 3Å; L123-A127 HydrophobicContact CD1-CB 3.89Å; L123-A127 PolarHBondContact O-N 3.38Å; L123-D213 HydrophobicContact CD2-CB 3.84Å
124G98.5Very high98.3Very high30 Ų3056.8 Ų56.831%0.30932%0.316SS..Hα-helixtrans-60.2-20.8-178.800000114.6V27 A120 T121 I122 A127V27-G124 WeakPolarHBondContact CG1-O 3.18Å; A120-G124 PolarHBondContact O-N 3.06Å; T121-G124 PolarHBondContact O-N 3.17Å; I122-G124 VanDerWaalsContact C-N 3.27Å; I122-G124 PolarHBondContact O-N 3.16Å; G124-A127 WeakPolarHBondContact CA-O 3.45Å
125V98.8Very high98.3Very high0 Ų054.3 Ų54.30%031%0.309CS..Hα-helixtrans-67.4-37.8171.1176.10000111.8D24 V27 A28 L32 V105 W113 T121 I122 L123D24-V125 HydrophobicContact CB-CG1 4.47Å; D24-V125 VanDerWaalsContact CB-O 3.24Å; D24-V125 WeakPolarHBondContact CB-O 3.44Å; V27-V125 HydrophobicContact CG1-CG2 4.46Å; A28-V125 HydrophobicContact CB-CG1 3.64Å; A28-V125 HydrophobicContact CB-CG2 4.2Å; L32-V125 HydrophobicContact CD2-CG2 4.06Å; L32-V125 HydrophobicContact CG-CG2 4.22Å; V105-V125 HydrophobicContact CG1-CG1 3.9Å; W113-V125 HydrophobicContact CH2-CB 4.16Å; W113-V125 HydrophobicContact CH2-CG1 3.85Å; W113-V125 HydrophobicContact CH2-CG2 4.26Å; W113-V125 HydrophobicContact CZ3-CB 4.4Å; W113-V125 HydrophobicContact CZ3-CG2 4.23Å; T121-V125 PolarHBondContact O-N 3.25Å; I122-V125 PolarHBondContact O-N 3.48Å; L123-V125 PolarHBondContact O-N 3.44Å; L123-V125 VanDerWaalsContact O-N 3.13Å
126F98.9Very high98.3Very high0 Ų052.9 Ų52.90%032%0.315CS..Hα-helixtrans-95.1-46.1-174.3-65.4-93.8000111A102 W113 I122 L123 P197 H201 L204 I206A102-F126 HydrophobicContact CB-CD1 3.9Å; A102-F126 HydrophobicContact CB-CE1 4.06Å; W113-F126 AromaticContact CH2-CE2 3.46Å; W113-F126 HydrophobicContact CH2-CE2 3.46Å; W113-F126 VanDerWaalsContact CH2-CE2 3.46Å; W113-F126 AromaticContact CH2-CZ 3.77Å; W113-F126 HydrophobicContact CH2-CZ 3.77Å; W113-F126 HydrophobicContact CZ2-CE2 4.24Å; W113-F126 HydrophobicContact CZ2-CZ 4.1Å; W113-F126 AromaticContact CZ3-CE2 3.81Å; W113-F126 HydrophobicContact CZ3-CE2 3.81Å; W113-F126 HydrophobicContact CZ3-CZ 4.47Å; I122-F126 WeakPolarHBondContact O-CD2 3.38Å; L123-F126 PolarHBondContact O-N 3Å; F126-P197 HydrophobicContact CB-CB 3.89Å; F126-P197 HydrophobicContact CD1-CB 4.23Å; F126-P197 WeakPolarHBondContact O-CB 3.31Å; F126-H201 HydrophobicContact CB-CB 3.96Å; F126-H201 HydrophobicContact CD1-CB 4.21Å; F126-H201 HydrophobicContact CD2-CB 4.14Å; F126-H201 AromaticContact CD2-CD2 3.85Å; F126-H201 HydrophobicContact CG-CB 3.83Å; F126-L204 HydrophobicContact CE1-CD1 4.07Å; F126-L204 HydrophobicContact CZ-CD1 4.45Å; F126-I206 HydrophobicContact CD2-CD1 4.38Å; F126-I206 HydrophobicContact CE1-CD1 4.39Å; F126-I206 HydrophobicContact CE2-CD1 3.51Å; F126-I206 HydrophobicContact CZ-CD1 3.53Å
127A98.7Very high98.3Very high2 Ų255 Ų552%0.01733%0.332CS..SBendtrans-129.6146.6-167.700000111.1L123 G124 R198L123-A127 HydrophobicContact CD1-CB 3.89Å; L123-A127 PolarHBondContact O-N 3.38Å; G124-A127 WeakPolarHBondContact CA-O 3.45Å; A127-R198 HydrophobicContact CB-CB 3.81Å; A127-R198 HydrophobicContact CB-CG 4.06Å; A127-R198 VanDerWaalsContact CB-NH2 3.33Å
128T98.3Very high98.3Very high6 Ų649 Ų494%0.03731%0.307CS..  trans-69.6157.4174.765.50000111.1T185 A188 D194 R198T128-T185 WeakPolarHBondContact CB-O 3.04Å; T128-A188 HydrophobicContact CG2-CB 3.66Å; T128-D194 WeakPolarHBondContact CB-OD2 3.31Å; T128-D194 PolarHBondContact N-OD2 3.01Å; T128-D194 PolarHBondContact OG1-OD2 3.37Å; T128-R198 PolarHBondContact O-NH2 3.4Å
129G96.9Very high98.3Very high34 Ų3447.4 Ų47.435%0.35130%0.298SS..  trans-157.7154.9-175.600000110.8T185G129-T185 PolarHBondContact N-O 2.97Å; G129-T185 CarbonylContact O-C 3.57Å; G129-T185 VanDerWaalsContact O-C 3.23Å; G129-T185 WeakPolarHBondContact O-CA 3.13Å
130P97.8Very high98.3Very high32 Ų3246.8 Ų46.821%0.20830%0.297CS..  trans-79137-175.132.8-32.7000111.1I132 R133 N138 Y216P130-I132 VanDerWaalsContact C-N 3.32Å; P130-R133 HydrophobicContact CG-CB 3.96Å; P130-R133 HydrophobicContact CG-CG 4.12Å; P130-N138 WeakPolarHBondContact CB-OD1 3.49Å; P130-Y216 HydrophobicContact CB-CD2 4.49Å; P130-Y216 HydrophobicContact CB-CE2 3.67Å; P130-Y216 HydrophobicContact CG-CD2 3.82Å; P130-Y216 HydrophobicContact CG-CE2 3.48Å; P130-Y216 VanDerWaalsContact CG-CE2 3.48Å
131A97.5Very high98.4Very high76 Ų7645 Ų4563%0.62828%0.28SS*.SBendtrans-66.3-38167.500000111.2T184A131-T184 PolarHBondContact N-O 2.87Å
132I98.3Very high98.4Very high139 Ų13943.1 Ų43.171%0.71327%0.268SS*.SBendtrans-129.7119.5168.1-61.2175000107.3P130 S134 N138P130-I132 VanDerWaalsContact C-N 3.32Å; I132-S134 PolarHBondContact O-N 2.86Å; I132-S134 VanDerWaalsContact O-N 3.12Å; I132-N138 PolarHBondContact O-ND2 3.35Å; I132-N138 VanDerWaalsContact O-ND2 3.12Å; I132-N138 PolarHBondContact O-OD1 3.32Å
133R98.2Very high98.4Very high142 Ų14244.7 Ų44.754%0.53628%0.276SS..  trans-70.4108.6-178-167.6173.2-164.3143.19.9110.3P130 D213P130-R133 HydrophobicContact CG-CB 3.96Å; P130-R133 HydrophobicContact CG-CG 4.12Å; R133-D213 IonicContact CZ-OD1 3.57Å; R133-D213 IonicContact CZ-OD2 3.9Å; R133-D213 IonicContact NH1-OD1 2.82Å; R133-D213 PolarHBondContact NH1-OD1 3.47Å; R133-D213 IonicContact NH1-OD2 2.89Å; R133-D213 IonicContact NH2-OD1 2.9Å; R133-D213 PolarHBondContact NH2-OD1 3.08Å; R133-D213 IonicContact NH2-OD2 3.69Å
134S98.4Very high98.4Very high58 Ų5847.6 Ų47.641%0.40629%0.291SS..  trans-150.891.8173174.60000107.3I132 G136 A137 N138I132-S134 PolarHBondContact O-N 2.86Å; I132-S134 VanDerWaalsContact O-N 3.12Å; S134-G136 PolarHBondContact O-N 3.36Å; S134-G136 VanDerWaalsContact O-N 3.09Å; S134-A137 PolarHBondContact O-N 2.64Å; S134-A137 WeakPolarHBondContact OG-CB 3.41Å; S134-N138 PolarHBondContact N-OD1 3.25Å; S134-N138 WeakPolarHBondContact O-CB 3.47Å; S134-N138 PolarHBondContact O-N 2.89Å; S134-N138 PolarHBondContact O-OD1 2.82Å
135L98.4Very high98.5Very high85 Ų8546.3 Ų46.345%0.44528%0.278SS..Hα-helixtrans-53.1-40-167.5-63.2-179.5000112.9L139 Y216 V219L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 PolarHBondContact O-N 2.86Å; L135-Y216 HydrophobicContact CD2-CD2 3.77Å; L135-Y216 HydrophobicContact CD2-CE2 4.3Å; L135-V219 HydrophobicContact CD2-CG2 4.03Å
136G98.5Very high98.5Very high45 Ų4546.3 Ų46.346%0.46428%0.278SS..Hα-helixtrans-65.6-46.4176.200000113.2S134 L139 I140S134-G136 PolarHBondContact O-N 3.36Å; S134-G136 VanDerWaalsContact O-N 3.09Å; G136-L139 PolarHBondContact O-N 3.36Å; G136-I140 WeakPolarHBondContact O-CG1 3.32Å; G136-I140 PolarHBondContact O-N 2.91Å; G136-I140 VanDerWaalsContact O-N 3.08Å
137A98.6Very high98.5Very high46 Ų4648.7 Ų48.738%0.3829%0.288SS..Hα-helixtrans-68.7-40.7178.200000111.8S134 L139 I140 S141S134-A137 PolarHBondContact O-N 2.64Å; S134-A137 WeakPolarHBondContact OG-CB 3.41Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 3.3Å; A137-I140 PolarHBondContact O-N 3.41Å; A137-S141 PolarHBondContact O-N 2.93Å; A137-S141 PolarHBondContact O-OG 3.07Å
138N98.7Very high98.5Very high6 Ų652.4 Ų52.43%0.03231%0.306CS..Hα-helixtrans-64.9-38.4177.5-54.5140.8000111.3P130 I132 S134 S141 E142 T185 Y216 V219P130-N138 WeakPolarHBondContact CB-OD1 3.49Å; I132-N138 PolarHBondContact O-ND2 3.35Å; I132-N138 VanDerWaalsContact O-ND2 3.12Å; I132-N138 PolarHBondContact O-OD1 3.32Å; S134-N138 PolarHBondContact N-OD1 3.25Å; S134-N138 WeakPolarHBondContact O-CB 3.47Å; S134-N138 PolarHBondContact O-N 2.89Å; S134-N138 PolarHBondContact O-OD1 2.82Å; N138-S141 WeakPolarHBondContact O-CB 3.3Å; N138-S141 PolarHBondContact O-N 2.66Å; N138-E142 PolarHBondContact O-N 2.76Å; N138-E142 VanDerWaalsContact O-N 3.11Å; N138-T185 HydrophobicContact CB-CG2 3.89Å; N138-Y216 HydrophobicContact CB-CE2 3.96Å; N138-Y216 WeakPolarHBondContact CB-OH 3.39Å; N138-V219 HydrophobicContact CB-CG1 3.93Å
139L98.8Very high98.5Very high51 Ų5152.3 Ų52.327%0.26731%0.306SS..Hα-helixtrans-60.3-47.2171.9-177.871.8000111.3L135 G136 A137 S141 E142 I143 A222L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 PolarHBondContact O-N 2.86Å; G136-L139 PolarHBondContact O-N 3.36Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 3.3Å; L139-S141 VanDerWaalsContact C-N 3.32Å; L139-S141 PolarHBondContact O-N 2.92Å; L139-E142 PolarHBondContact O-N 3.35Å; L139-I143 HydrophobicContact CG-CD1 4.01Å; L139-I143 VanDerWaalsContact O-CG1 3.28Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 2.86Å; L139-A222 HydrophobicContact CD1-CB 4.11Å
140I98.8Very high98.6Very high98 Ų9850.7 Ų50.750%0.50329%0.289SS..Hα-helixtrans-60.2-42.6176.8-68.4165.1000110.9G136 A137 E142 I143 I144G136-I140 WeakPolarHBondContact O-CG1 3.32Å; G136-I140 PolarHBondContact O-N 2.91Å; G136-I140 VanDerWaalsContact O-N 3.08Å; A137-I140 PolarHBondContact O-N 3.41Å; I140-E142 PolarHBondContact O-N 3.27Å; I140-I143 PolarHBondContact O-N 3.35Å; I140-I144 HydrophobicContact CG2-CD1 3.74Å; I140-I144 HydrophobicContact CG2-CG1 4.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.35Å
141S98.7Very high98.6Very high31 Ų3151.7 Ų51.722%0.21729%0.29CS..Hα-helixtrans-56.6-48.1176-67.30000112.2A137 N138 L139 I144 G145 T184A137-S141 PolarHBondContact O-N 2.93Å; A137-S141 PolarHBondContact O-OG 3.07Å; N138-S141 WeakPolarHBondContact O-CB 3.3Å; N138-S141 PolarHBondContact O-N 2.66Å; L139-S141 VanDerWaalsContact C-N 3.32Å; L139-S141 PolarHBondContact O-N 2.92Å; S141-I144 PolarHBondContact O-N 3.46Å; S141-G145 PolarHBondContact O-N 3.44Å; S141-T184 WeakPolarHBondContact CB-OG1 3.47Å; S141-T184 PolarHBondContact OG-OG1 3.44Å; S141-T184 VanDerWaalsContact OG-OG1 3.13Å
142E98.8Very high98.7Very high2 Ų248.9 Ų48.91%0.00927%0.267CS..Hα-helixtrans-67.6-35.1178.4-70.8-63147.300112.4N138 L139 I140 T146 T185 A188 I189 V219 P224N138-E142 PolarHBondContact O-N 2.76Å; N138-E142 VanDerWaalsContact O-N 3.11Å; L139-E142 PolarHBondContact O-N 3.35Å; I140-E142 PolarHBondContact O-N 3.27Å; E142-T146 PolarHBondContact O-N 3.12Å; E142-T146 PolarHBondContact O-OG1 2.85Å; E142-T185 WeakPolarHBondContact OE1-CB 3.28Å; E142-T185 PolarHBondContact OE1-OG1 3.21Å; E142-A188 PolarHBondContact OE1-N 2.87Å; E142-A188 WeakPolarHBondContact OE2-CB 3.22Å; E142-A188 PolarHBondContact OE2-N 2.87Å; E142-I189 PolarHBondContact OE2-N 3.08Å; E142-V219 HydrophobicContact CG-CG1 4.08Å; E142-P224 HydrophobicContact CB-CG 4.32Å
143I98.9Very high98.7Very high33 Ų3343.5 Ų43.517%0.16924%0.239CC..Hα-helixtrans-59.9-49.8172.8-70.7169.2000110.4L139 I140 F147 G223 I226 G227 L230L139-I143 HydrophobicContact CG-CD1 4.01Å; L139-I143 VanDerWaalsContact O-CG1 3.28Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 2.86Å; I140-I143 PolarHBondContact O-N 3.35Å; I143-F147 WeakPolarHBondContact O-CB 3.32Å; I143-F147 PolarHBondContact O-N 3.39Å; I143-G223 WeakPolarHBondContact CG1-O 3.29Å; I143-I226 HydrophobicContact CD1-CB 4.25Å; I143-I226 HydrophobicContact CD1-CD1 4.43Å; I143-I226 HydrophobicContact CD1-CG2 3.79Å; I143-I226 HydrophobicContact CG1-CB 4.07Å; I143-I226 HydrophobicContact CG1-CG2 3.95Å; I143-I226 HydrophobicContact CG2-CG2 4.41Å; I143-G227 WeakPolarHBondContact O-CA 3.35Å; I143-L230 HydrophobicContact CG2-CD1 4.14Å
144I98.9Very high98.7Very high84 Ų8437 Ų3743%0.43122%0.215SC..Hα-helixtrans-63.7-46.9-179.2-65.6167.5000110.3I140 S141 T146 F147 M148 L181I140-I144 HydrophobicContact CG2-CD1 3.74Å; I140-I144 HydrophobicContact CG2-CG1 4.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.35Å; S141-I144 PolarHBondContact O-N 3.46Å; I144-T146 PolarHBondContact O-N 2.79Å; I144-F147 PolarHBondContact O-N 3.4Å; I144-M148 WeakPolarHBondContact O-CG 3.3Å; I144-M148 PolarHBondContact O-N 3.27Å; I144-L181 HydrophobicContact CG2-CD1 4.12Å
145G98.8Very high98.6Very high2 Ų235.9 Ų35.92%0.02121%0.209CC..Hα-helixtrans-58.3-49179.200000112.7S141 M148 L149S141-G145 PolarHBondContact O-N 3.44Å; G145-M148 PolarHBondContact O-N 3.04Å; G145-L149 PolarHBondContact O-N 3.32Å; G145-L149 VanDerWaalsContact O-N 3.08Å
146T98.9Very high98.5Very high0 Ų034.1 Ų34.10%020%0.198CC..Hα-helixtrans-76.4-29.8-179.9-560000113.5A71 E142 I144 M148 L149 V150 I189 P224A71-T146 HydrophobicContact CB-CG2 3.79Å; E142-T146 PolarHBondContact O-N 3.12Å; E142-T146 PolarHBondContact O-OG1 2.85Å; I144-T146 PolarHBondContact O-N 2.79Å; T146-M148 VanDerWaalsContact C-N 3.3Å; T146-M148 PolarHBondContact O-N 2.85Å; T146-L149 WeakPolarHBondContact O-CB 3.41Å; T146-L149 PolarHBondContact O-N 3.38Å; T146-V150 HydrophobicContact CG2-CG2 4.13Å; T146-V150 PolarHBondContact O-N 3.46Å; T146-I189 WeakPolarHBondContact OG1-CA 3.32Å; T146-I189 WeakPolarHBondContact OG1-CB 3.3Å; T146-I189 PolarHBondContact OG1-O 3.42Å; T146-P224 HydrophobicContact CG2-CB 3.98Å; T146-P224 WeakPolarHBondContact CG2-O 3.19Å; T146-P224 VanDerWaalsContact OG1-CA 3.23Å; T146-P224 WeakPolarHBondContact OG1-CA 3.39Å; T146-P224 VanDerWaalsContact OG1-CB 3.27Å; T146-P224 WeakPolarHBondContact OG1-CB 3.2Å
147F98.9Very high98.2Very high50 Ų5035 Ų3522%0.21921%0.208CC..Hα-helixtrans-56-50.6169.3173.1-82.3000110I143 I144 L149 V150 F151 G227 L230 A231 L234I143-F147 WeakPolarHBondContact O-CB 3.32Å; I143-F147 PolarHBondContact O-N 3.39Å; I144-F147 PolarHBondContact O-N 3.4Å; F147-L149 VanDerWaalsContact C-N 3.3Å; F147-L149 PolarHBondContact O-N 3.32Å; F147-V150 PolarHBondContact O-N 3.46Å; F147-F151 HydrophobicContact CE1-CB 4.33Å; F147-F151 HydrophobicContact CE1-CG 4.45Å; F147-F151 HydrophobicContact CZ-CD2 4.28Å; F147-F151 WeakPolarHBondContact O-CB 3.43Å; F147-F151 PolarHBondContact O-N 3.37Å; F147-G227 WeakPolarHBondContact CA-O 3.42Å; F147-L230 HydrophobicContact CD2-CB 4.04Å; F147-A231 HydrophobicContact CB-CB 4.47Å; F147-A231 HydrophobicContact CD2-CB 3.69Å; F147-A231 HydrophobicContact CE2-CB 4.07Å; F147-A231 HydrophobicContact CG-CB 4.09Å; F147-A231 WeakPolarHBondContact O-CB 3.46Å; F147-L234 HydrophobicContact CE2-CD2 4.05Å; F147-L234 HydrophobicContact CZ-CD2 3.61Å
148M98.8Very high98Very high81 Ų8138 Ų3840%0.39922%0.215SC..Hα-helixtrans-60.9-40.5178.3-69.9-50.2-50.900112.2I144 G145 T146 A152 I177 L181I144-M148 WeakPolarHBondContact O-CG 3.3Å; I144-M148 PolarHBondContact O-N 3.27Å; G145-M148 PolarHBondContact O-N 3.04Å; T146-M148 VanDerWaalsContact C-N 3.3Å; T146-M148 PolarHBondContact O-N 2.85Å; M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 3.25Å; M148-I177 HydrophobicContact CB-CD1 4.4Å; M148-L181 HydrophobicContact CG-CD1 4.39Å
149L98.9Very high97.6Very high4 Ų441 Ų412%0.02124%0.236CC..Hα-helixtrans-57.7-59.9174.9174.460.4000111.6V72 G145 T146 F147 F151 A152 L153 L173 I174 I177 I189V72-L149 HydrophobicContact CG2-CD2 3.98Å; V72-L149 HydrophobicContact CG2-CG 4.29Å; G145-L149 PolarHBondContact O-N 3.32Å; G145-L149 VanDerWaalsContact O-N 3.08Å; T146-L149 WeakPolarHBondContact O-CB 3.41Å; T146-L149 PolarHBondContact O-N 3.38Å; F147-L149 VanDerWaalsContact C-N 3.3Å; F147-L149 PolarHBondContact O-N 3.32Å; L149-F151 PolarHBondContact O-N 3.49Å; L149-A152 PolarHBondContact O-N 3.27Å; L149-L153 HydrophobicContact CD1-CD1 3.88Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.12Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.19Å; L149-L153 PolarHBondContact O-N 2.94Å; L149-L173 HydrophobicContact CD1-CD2 3.73Å; L149-L173 HydrophobicContact CD1-CG 4.22Å; L149-I174 HydrophobicContact CD1-CD1 3.77Å; L149-I177 HydrophobicContact CB-CD1 3.9Å; L149-I189 HydrophobicContact CD2-CB 4.36Å; L149-I189 HydrophobicContact CD2-CD1 4.18Å; L149-I189 HydrophobicContact CD2-CG1 4.28Å
150V98.9Very high97.3Very high0 Ų048.8 Ų48.80%027%0.268CS..Hα-helixtrans-68.5-37.8-173.3172.90000111.5V72 T146 F147 L153 L154 A231V72-V150 HydrophobicContact CG2-CG2 4.17Å; T146-V150 HydrophobicContact CG2-CG2 4.13Å; T146-V150 PolarHBondContact O-N 3.46Å; F147-V150 PolarHBondContact O-N 3.46Å; V150-L153 PolarHBondContact O-N 3.22Å; V150-L154 HydrophobicContact CG1-CD1 4.06Å; V150-L154 HydrophobicContact CG1-CG 4.5Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.1Å; V150-A231 HydrophobicContact CB-CB 3.84Å; V150-A231 HydrophobicContact CG1-CB 3.93Å
151F98.7Very high96.9Very high52 Ų5247.7 Ų47.723%0.22826%0.26CS..Hα-helixtrans-61.7-46.7176.5-172.9-90.2000111.4F147 L149 L154 A155 A231 L234 F235 L238F147-F151 HydrophobicContact CE1-CB 4.33Å; F147-F151 HydrophobicContact CE1-CG 4.45Å; F147-F151 HydrophobicContact CZ-CD2 4.28Å; F147-F151 WeakPolarHBondContact O-CB 3.43Å; F147-F151 PolarHBondContact O-N 3.37Å; L149-F151 PolarHBondContact O-N 3.49Å; F151-L154 PolarHBondContact O-N 2.92Å; F151-A155 WeakPolarHBondContact O-CB 3.48Å; F151-A155 PolarHBondContact O-N 3.02Å; F151-A231 HydrophobicContact CB-CB 3.95Å; F151-L234 HydrophobicContact CD2-CD2 4.48Å; F151-L234 HydrophobicContact CE2-CD2 4.13Å; F151-L234 HydrophobicContact CE2-CG 4.46Å; F151-F235 HydrophobicContact CD2-CB 4.45Å; F151-F235 HydrophobicContact CD2-CD2 4.2Å; F151-F235 HydrophobicContact CE2-CB 4.47Å; F151-F235 AromaticContact CE2-CD2 3.97Å; F151-F235 HydrophobicContact CE2-CD2 3.97Å; F151-F235 HydrophobicContact CZ-CD2 4.38Å; F151-L238 HydrophobicContact CE2-CD1 3.75Å; F151-L238 HydrophobicContact CZ-CD1 3.81Å
152A98.4Very high96.6Very high17 Ų1748.2 Ų48.214%0.1427%0.27CS..Hα-helixtrans-65.9-38.5177.800000112.3M148 L149 L154 A155 F156 L173M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 3.25Å; L149-A152 PolarHBondContact O-N 3.27Å; A152-L154 VanDerWaalsContact C-N 3.34Å; A152-L154 PolarHBondContact O-N 3.32Å; A152-A155 PolarHBondContact O-N 3.02Å; A152-F156 WeakPolarHBondContact O-CD1 3.45Å; A152-F156 WeakPolarHBondContact O-CG 3.25Å; A152-F156 PolarHBondContact O-N 3.33Å; A152-L173 HydrophobicContact CB-CD1 3.65Å; A152-L173 HydrophobicContact CB-CD2 3.59Å; A152-L173 HydrophobicContact CB-CG 4.27Å
153L98.5Very high96.2Very high26 Ų2656.1 Ų56.114%0.13631%0.313CS..Hα-helixtrans-62.3-40.3174.8-69.6175.3000112.3V72 M76 L149 V150 F156 G157 V170 L173V72-L153 HydrophobicContact CB-CD1 4.43Å; V72-L153 HydrophobicContact CG1-CD1 3.79Å; V72-L153 HydrophobicContact CG2-CD1 3.69Å; M76-L153 HydrophobicContact CE-CB 3.5Å; M76-L153 VanDerWaalsContact CE-CB 3.5Å; M76-L153 HydrophobicContact CE-CD1 4.27Å; L149-L153 HydrophobicContact CD1-CD1 3.88Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.12Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.19Å; L149-L153 PolarHBondContact O-N 2.94Å; V150-L153 PolarHBondContact O-N 3.22Å; L153-F156 HydrophobicContact CD2-CD2 4.31Å; L153-F156 PolarHBondContact O-N 3.12Å; L153-G157 PolarHBondContact O-N 3.2Å; L153-G157 VanDerWaalsContact O-N 3.15Å; L153-V170 HydrophobicContact CD2-CB 4.47Å; L153-V170 HydrophobicContact CD2-CG1 4.11Å; L153-V170 HydrophobicContact CD2-CG2 3.65Å; L153-L173 HydrophobicContact CD2-CD2 4.21Å; L153-L173 HydrophobicContact CG-CD2 4.2Å
154L98.1Very high95.8Very high5 Ų556.7 Ų56.73%0.02633%0.327CS..Hα-helixtrans-65.8-41.1174.2-71.1168.7000111.6M76 A79 K81 V150 F151 A152 G157 A232 F235M76-L154 HydrophobicContact CE-CD2 4.23Å; M76-L154 HydrophobicContact CE-CG 4.37Å; M76-L154 HydrophobicContact SD-CD2 3.63Å; M76-L154 HydrophobicContact SD-CG 4.33Å; A79-L154 HydrophobicContact CB-CD1 4.21Å; A79-L154 HydrophobicContact CB-CD2 3.54Å; K81-L154 HydrophobicContact CG-CD2 4.12Å; V150-L154 HydrophobicContact CG1-CD1 4.06Å; V150-L154 HydrophobicContact CG1-CG 4.5Å; V150-L154 WeakPolarHBondContact O-CG 3.4Å; V150-L154 PolarHBondContact O-N 3.1Å; F151-L154 PolarHBondContact O-N 2.92Å; A152-L154 VanDerWaalsContact C-N 3.34Å; A152-L154 PolarHBondContact O-N 3.32Å; L154-G157 WeakPolarHBondContact O-CA 3.22Å; L154-G157 PolarHBondContact O-N 3.48Å; L154-G157 VanDerWaalsContact O-N 3.12Å; L154-A232 HydrophobicContact CD1-CB 4.2Å; L154-F235 HydrophobicContact CB-CB 4.49Å; L154-F235 HydrophobicContact CB-CD1 3.84Å; L154-F235 HydrophobicContact CB-CD2 3.68Å; L154-F235 HydrophobicContact CB-CE1 3.91Å; L154-F235 HydrophobicContact CB-CE2 3.75Å; L154-F235 HydrophobicContact CB-CG 3.73Å; L154-F235 HydrophobicContact CB-CZ 3.86Å; L154-F235 HydrophobicContact CD1-CB 3.74Å; L154-F235 HydrophobicContact CD1-CD1 4.12Å; L154-F235 HydrophobicContact CD1-CD2 4.45Å; L154-F235 HydrophobicContact CD1-CG 3.85Å; L154-F235 HydrophobicContact CG-CD1 4.4Å; L154-F235 HydrophobicContact CG-CG 4.37Å; L154-F235 WeakPolarHBondContact O-CZ 3.41Å
155A96.9Very high95.7Very high35 Ų3557 Ų5729%0.28933%0.329SS..Hα-helixtrans-64.8-37.617500000112.7F151 A152 G157 M158 S159 F235F151-A155 WeakPolarHBondContact O-CB 3.48Å; F151-A155 PolarHBondContact O-N 3.02Å; A152-A155 PolarHBondContact O-N 3.02Å; A155-G157 PolarHBondContact O-N 2.96Å; A155-M158 WeakPolarHBondContact O-CB 3.18Å; A155-M158 PolarHBondContact O-N 3.46Å; A155-S159 PolarHBondContact O-N 2.89Å; A155-S159 PolarHBondContact O-OG 3.17Å; A155-F235 HydrophobicContact CB-CE2 4.18Å
156F96.4Very high95.5Very high49 Ų4960.4 Ų60.422%0.21535%0.346CS..Hα-helixtrans-60.3-36.1171.7-68.9-10.4000111.4A152 L153 M158 S159 F161 A169 V170 L173A152-F156 WeakPolarHBondContact O-CD1 3.45Å; A152-F156 WeakPolarHBondContact O-CG 3.25Å; A152-F156 PolarHBondContact O-N 3.33Å; L153-F156 HydrophobicContact CD2-CD2 4.31Å; L153-F156 PolarHBondContact O-N 3.12Å; F156-M158 PolarHBondContact O-N 2.89Å; F156-S159 WeakPolarHBondContact O-CB 3.2Å; F156-S159 PolarHBondContact O-N 3.29Å; F156-F161 HydrophobicContact CB-CE2 3.87Å; F156-F161 HydrophobicContact CB-CZ 4.3Å; F156-F161 HydrophobicContact CD1-CE2 4.43Å; F156-F161 HydrophobicContact CD1-CZ 4.08Å; F156-F161 HydrophobicContact CG-CE2 4.21Å; F156-F161 HydrophobicContact CG-CZ 4.12Å; F156-A169 HydrophobicContact CD2-CB 4.46Å; F156-A169 HydrophobicContact CE2-CB 4.02Å; F156-A169 HydrophobicContact CZ-CB 4.24Å; F156-V170 HydrophobicContact CD2-CG2 4.4Å; F156-L173 HydrophobicContact CE2-CB 4.3Å; F156-L173 HydrophobicContact CE2-CD2 4.05Å; F156-L173 HydrophobicContact CZ-CB 4.41Å; F156-L173 HydrophobicContact CZ-CD2 4.47Å
157G92.9Very high95.5Very high64 Ų6461.5 Ų61.566%0.6635%0.354SS*.THydrogen-bonded Turntrans-62.1-17173.500000114.9L153 L154 A155L153-G157 PolarHBondContact O-N 3.2Å; L153-G157 VanDerWaalsContact O-N 3.15Å; L154-G157 WeakPolarHBondContact O-CA 3.22Å; L154-G157 PolarHBondContact O-N 3.48Å; L154-G157 VanDerWaalsContact O-N 3.12Å; A155-G157 PolarHBondContact O-N 2.96Å
158M93.1Very high95.4Very high107 Ų10762.6 Ų62.653%0.52736%0.361SS..THydrogen-bonded Turntrans-93.4-11.4173.6-59-57.4-66.900113A155 F156 F235 M240A155-M158 WeakPolarHBondContact O-CB 3.18Å; A155-M158 PolarHBondContact O-N 3.46Å; F156-M158 PolarHBondContact O-N 2.89Å; M158-F235 HydrophobicContact CG-CE1 4.42Å; M158-F235 HydrophobicContact CG-CZ 3.74Å; M158-M240 HydrophobicContact CE-SD 3.87Å; M158-M240 HydrophobicContact CG-SD 4.49Å; M158-M240 HydrophobicContact SD-SD 4.01Å
159S91.4Very high95.4Very high69 Ų6959.5 Ų59.548%0.48335%0.348SS..SBendtrans-92.5149.9-178.5-60.30000111.1A155 F156A155-S159 PolarHBondContact O-N 2.89Å; A155-S159 PolarHBondContact O-OG 3.17Å; F156-S159 WeakPolarHBondContact O-CB 3.2Å; F156-S159 PolarHBondContact O-N 3.29Å
160K92.3Very high95.4Very high216 Ų21660.4 Ų60.494%0.93935%0.354SS*.  trans-92.9107.4170.1-67.9-176.7-179.9179.90109.4
161F90.2Very high95.4Very high75 Ų7560.5 Ų60.533%0.32936%0.355SS..PPolyproline II helixtrans-89.6151.5172.2-74.3-87.1000111F156 L165 N166 A169F156-F161 HydrophobicContact CB-CE2 3.87Å; F156-F161 HydrophobicContact CB-CZ 4.3Å; F156-F161 HydrophobicContact CD1-CE2 4.43Å; F156-F161 HydrophobicContact CD1-CZ 4.08Å; F156-F161 HydrophobicContact CG-CE2 4.21Å; F156-F161 HydrophobicContact CG-CZ 4.12Å; F161-L165 HydrophobicContact CD1-CB 4.4Å; F161-N166 HydrophobicContact CG-CB 4.48Å; F161-A169 HydrophobicContact CE1-CB 3.73Å; F161-A169 HydrophobicContact CZ-CB 3.99Å
162G93Very high95.4Very high42 Ų4262.9 Ų62.943%0.43337%0.369SS..PPolyproline II helixtrans-65.3151.5160.700000110.6G164 L165G162-G164 PolarHBondContact O-N 3.38Å; G162-L165 WeakPolarHBondContact O-CB 3.47Å; G162-L165 PolarHBondContact O-N 3.01Å
163D89.3Confident95.4Very high168 Ų16862.9 Ų62.990%0.89837%0.367SS*.THydrogen-bonded Turntrans-53.1131.6-176.1-69-15.9000111.7L165D163-L165 PolarHBondContact O-N 3.45Å
164G91.1Very high95.4Very high45 Ų4562.2 Ų62.246%0.46436%0.363SS..THydrogen-bonded Turntrans73.6-0.9178.700000115.7Y58 G162Y58-G164 VanDerWaalsContact CE1-O 3.29Å; Y58-G164 WeakPolarHBondContact CE1-O 3.43Å; Y58-G164 VanDerWaalsContact CZ-O 3.31Å; Y58-G164 PolarHBondContact OH-O 3.24Å; G162-G164 PolarHBondContact O-N 3.38Å
165L96.2Very high95.4Very high91 Ų9163.8 Ų63.848%0.47637%0.371SS..  trans-82.8-20-179-62.6-178.3000114.4F161 G162 D163 I168 A169F161-L165 HydrophobicContact CD1-CB 4.4Å; G162-L165 WeakPolarHBondContact O-CB 3.47Å; G162-L165 PolarHBondContact O-N 3.01Å; D163-L165 PolarHBondContact O-N 3.45Å; L165-I168 HydrophobicContact CD2-CD1 4.34Å; L165-I168 WeakPolarHBondContact O-CB 3.13Å; L165-I168 PolarHBondContact O-N 2.8Å; L165-I168 VanDerWaalsContact O-N 3.15Å; L165-A169 PolarHBondContact O-N 3.44Å
166N95.2Very high95.5Very high72 Ų7265.5 Ų65.539%0.38538%0.378SS..Hα-helixtrans-57.3-47.7-175.8-173.71000113.1F161 I168 A169 V170F161-N166 HydrophobicContact CG-CB 4.48Å; N166-I168 PolarHBondContact O-N 2.89Å; N166-I168 VanDerWaalsContact O-N 3.14Å; N166-A169 WeakPolarHBondContact O-CB 3.24Å; N166-A169 PolarHBondContact O-N 2.94Å; N166-V170 WeakPolarHBondContact O-CG2 3.42Å; N166-V170 PolarHBondContact O-N 3.48Å
167P97.7Very high95.6Very high24 Ų2463.5 Ų63.516%0.15637%0.37CS..Hα-helixtrans-54.9-34.3176.3-30.439.3000114.7T54 A57 Y58 V170 G171T54-P167 HydrophobicContact CG2-CB 4.47Å; T54-P167 PolarHBondContact OG1-O 2.96Å; A57-P167 HydrophobicContact CB-CB 3.93Å; A57-P167 HydrophobicContact CB-CG 4.34Å; Y58-P167 HydrophobicContact CD1-CB 4.07Å; Y58-P167 HydrophobicContact CD1-CG 3.81Å; Y58-P167 HydrophobicContact CD2-CB 4.07Å; Y58-P167 HydrophobicContact CE1-CB 3.87Å; Y58-P167 HydrophobicContact CE1-CG 3.63Å; Y58-P167 HydrophobicContact CE2-CB 3.9Å; Y58-P167 HydrophobicContact CG-CB 4.15Å; Y58-P167 HydrophobicContact CG-CG 4.34Å; P167-V170 PolarHBondContact O-N 3.31Å; P167-G171 PolarHBondContact O-N 3.3Å
168I98.2Very high95.9Very high72 Ų7260.5 Ų60.537%0.36934%0.338SS..Hα-helixtrans-68.8-43176.9-63.8166.5000110.5T54 Y58 L165 N166 V170 G171 I172T54-I168 HydrophobicContact CG2-CG1 3.97Å; Y58-I168 HydrophobicContact CE2-CG1 4.2Å; Y58-I168 WeakPolarHBondContact OH-CD1 3.19Å; Y58-I168 WeakPolarHBondContact OH-CG1 3.21Å; L165-I168 HydrophobicContact CD2-CD1 4.34Å; L165-I168 WeakPolarHBondContact O-CB 3.13Å; L165-I168 PolarHBondContact O-N 2.8Å; L165-I168 VanDerWaalsContact O-N 3.15Å; N166-I168 PolarHBondContact O-N 2.89Å; N166-I168 VanDerWaalsContact O-N 3.14Å; I168-V170 VanDerWaalsContact C-N 3.27Å; I168-V170 PolarHBondContact O-N 3.36Å; I168-G171 PolarHBondContact O-N 3.41Å; I168-G171 VanDerWaalsContact O-N 3.15Å; I168-I172 HydrophobicContact CG2-CD1 4.09Å; I168-I172 WeakPolarHBondContact O-CG1 3.21Å; I168-I172 PolarHBondContact O-N 2.85Å
169A98.2Very high96.2Very high17 Ų1759.3 Ų59.314%0.1433%0.334CS..Hα-helixtrans-60.8-39.3175.900000111.5F156 F161 L165 N166 I172 L173F156-A169 HydrophobicContact CD2-CB 4.46Å; F156-A169 HydrophobicContact CE2-CB 4.02Å; F156-A169 HydrophobicContact CZ-CB 4.24Å; F161-A169 HydrophobicContact CE1-CB 3.73Å; F161-A169 HydrophobicContact CZ-CB 3.99Å; L165-A169 PolarHBondContact O-N 3.44Å; N166-A169 WeakPolarHBondContact O-CB 3.24Å; N166-A169 PolarHBondContact O-N 2.94Å; A169-I172 PolarHBondContact O-N 3.43Å; A169-L173 PolarHBondContact O-N 3.39Å
170V98.5Very high96.5Very high22 Ų2260.1 Ų60.113%0.13334%0.339CS..Hα-helixtrans-62.6-44.8172.5-179.50000111.1V53 L153 F156 N166 P167 I168 I172 L173 I174V53-V170 HydrophobicContact CG1-CG1 3.79Å; L153-V170 HydrophobicContact CD2-CB 4.47Å; L153-V170 HydrophobicContact CD2-CG1 4.11Å; L153-V170 HydrophobicContact CD2-CG2 3.65Å; F156-V170 HydrophobicContact CD2-CG2 4.4Å; N166-V170 WeakPolarHBondContact O-CG2 3.42Å; N166-V170 PolarHBondContact O-N 3.48Å; P167-V170 PolarHBondContact O-N 3.31Å; I168-V170 VanDerWaalsContact C-N 3.27Å; I168-V170 PolarHBondContact O-N 3.36Å; V170-I172 VanDerWaalsContact C-N 3.33Å; V170-I172 PolarHBondContact O-N 2.85Å; V170-L173 WeakPolarHBondContact O-CB 3.48Å; V170-L173 PolarHBondContact O-N 3.49Å; V170-L173 VanDerWaalsContact O-N 3.15Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.42Å
171G98.7Very high96.8Very high3 Ų352.9 Ų52.93%0.03131%0.311CS..Hα-helixtrans-60.7-39.5175.500000113.9G50 T54 P167 I168 L173 I174 L175G50-G171 VanDerWaalsContact CA-O 3.32Å; G50-G171 WeakPolarHBondContact CA-O 3.41Å; G50-G171 VanDerWaalsContact O-CA 3.22Å; G50-G171 WeakPolarHBondContact O-CA 3.24Å; T54-G171 VanDerWaalsContact OG1-CA 3.3Å; T54-G171 WeakPolarHBondContact OG1-CA 3.22Å; P167-G171 PolarHBondContact O-N 3.3Å; I168-G171 PolarHBondContact O-N 3.41Å; I168-G171 VanDerWaalsContact O-N 3.15Å; G171-L173 VanDerWaalsContact C-N 3.33Å; G171-I174 PolarHBondContact O-N 3.29Å; G171-L175 WeakPolarHBondContact O-CB 3.36Å; G171-L175 PolarHBondContact O-N 3.13Å
172I98.6Very high97.2Very high102 Ų10249.3 Ų49.352%0.52330%0.295SS..Hα-helixtrans-63.9-39.8174.2-67.7168.2000110.8I168 A169 V170 L175 V176I168-I172 HydrophobicContact CG2-CD1 4.09Å; I168-I172 WeakPolarHBondContact O-CG1 3.21Å; I168-I172 PolarHBondContact O-N 2.85Å; A169-I172 PolarHBondContact O-N 3.43Å; V170-I172 VanDerWaalsContact C-N 3.33Å; V170-I172 PolarHBondContact O-N 2.85Å; I172-L175 WeakPolarHBondContact O-CB 3.33Å; I172-L175 PolarHBondContact O-N 3.35Å; I172-V176 PolarHBondContact O-N 2.85Å
173L98.8Very high97.4Very high16 Ų1650 Ų508%0.08430%0.302CS..Hα-helixtrans-60.2-44.7174.5173.762.6000111.6L149 A152 L153 F156 A169 V170 G171 V176 I177L149-L173 HydrophobicContact CD1-CD2 3.73Å; L149-L173 HydrophobicContact CD1-CG 4.22Å; A152-L173 HydrophobicContact CB-CD1 3.65Å; A152-L173 HydrophobicContact CB-CD2 3.59Å; A152-L173 HydrophobicContact CB-CG 4.27Å; L153-L173 HydrophobicContact CD2-CD2 4.21Å; L153-L173 HydrophobicContact CG-CD2 4.2Å; F156-L173 HydrophobicContact CE2-CB 4.3Å; F156-L173 HydrophobicContact CE2-CD2 4.05Å; F156-L173 HydrophobicContact CZ-CB 4.41Å; F156-L173 HydrophobicContact CZ-CD2 4.47Å; A169-L173 PolarHBondContact O-N 3.39Å; V170-L173 WeakPolarHBondContact O-CB 3.48Å; V170-L173 PolarHBondContact O-N 3.49Å; V170-L173 VanDerWaalsContact O-N 3.15Å; G171-L173 VanDerWaalsContact C-N 3.33Å; L173-V176 WeakPolarHBondContact O-CG1 3.31Å; L173-V176 PolarHBondContact O-N 2.83Å; L173-I177 HydrophobicContact CD1-CD1 3.77Å; L173-I177 HydrophobicContact CD1-CG1 4.23Å; L173-I177 HydrophobicContact CG-CD1 4Å; L173-I177 VanDerWaalsContact O-CG1 3.27Å; L173-I177 WeakPolarHBondContact O-CG1 3.26Å; L173-I177 PolarHBondContact O-N 2.83Å
174I98.8Very high97.8Very high13 Ų1345 Ų457%0.06728%0.278CS..Hα-helixtrans-64.4-43.9176.7-61-65.5000111.2W49 V53 L149 V170 G171 I177 G178 Y187 I189W49-I174 HydrophobicContact CB-CG2 4.34Å; V53-I174 HydrophobicContact CB-CG1 3.98Å; V53-I174 HydrophobicContact CG1-CG1 3.92Å; V53-I174 HydrophobicContact CG2-CB 4.39Å; V53-I174 HydrophobicContact CG2-CD1 4.42Å; V53-I174 HydrophobicContact CG2-CG1 3.87Å; V53-I174 HydrophobicContact CG2-CG2 4.05Å; L149-I174 HydrophobicContact CD1-CD1 3.77Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.42Å; G171-I174 PolarHBondContact O-N 3.29Å; I174-I177 PolarHBondContact O-N 3.31Å; I174-G178 PolarHBondContact O-N 3.03Å; I174-Y187 HydrophobicContact CG2-CE2 4.46Å; I174-I189 HydrophobicContact CD1-CD1 3.85Å
175L98.7Very high98.1Very high37 Ų3743 Ų4319%0.19426%0.256CS..Hα-helixtrans-56.8-50.9175.7169.560.3000111.5L47 G171 I172 I177 G178 L179L47-L175 HydrophobicContact CD2-CD1 3.79Å; L47-L175 HydrophobicContact CD2-CD2 3.76Å; L47-L175 HydrophobicContact CD2-CG 4.44Å; L47-L175 HydrophobicContact CG-CD1 4.16Å; G171-L175 WeakPolarHBondContact O-CB 3.36Å; G171-L175 PolarHBondContact O-N 3.13Å; I172-L175 WeakPolarHBondContact O-CB 3.33Å; I172-L175 PolarHBondContact O-N 3.35Å; L175-I177 PolarHBondContact O-N 3.45Å; L175-G178 PolarHBondContact O-N 3.4Å; L175-L179 HydrophobicContact CD1-CD1 3.66Å; L175-L179 HydrophobicContact CD1-CG 3.96Å; L175-L179 HydrophobicContact CG-CD1 3.99Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 3.12Å
176V98.6Very high98.2Very high72 Ų7239.6 Ų39.644%0.43624%0.243SC..Hα-helixtrans-69.4-34.6-175.878.70000112I172 L173 S180I172-V176 PolarHBondContact O-N 2.85Å; L173-V176 WeakPolarHBondContact O-CG1 3.31Å; L173-V176 PolarHBondContact O-N 2.83Å; V176-S180 WeakPolarHBondContact O-CB 3.2Å; V176-S180 PolarHBondContact O-N 2.92Å; V176-S180 PolarHBondContact O-OG 3.46Å
177I98.8Very high98.3Very high7 Ų736.5 Ų36.54%0.03623%0.226CC..Hα-helixtrans-63.9-45.9171.8-68.9168.4000110.2M148 L149 L173 I174 L175 L179 S180 L181 G182 I189M148-I177 HydrophobicContact CB-CD1 4.4Å; L149-I177 HydrophobicContact CB-CD1 3.9Å; L173-I177 HydrophobicContact CD1-CD1 3.77Å; L173-I177 HydrophobicContact CD1-CG1 4.23Å; L173-I177 HydrophobicContact CG-CD1 4Å; L173-I177 VanDerWaalsContact O-CG1 3.27Å; L173-I177 WeakPolarHBondContact O-CG1 3.26Å; L173-I177 PolarHBondContact O-N 2.83Å; I174-I177 PolarHBondContact O-N 3.31Å; L175-I177 PolarHBondContact O-N 3.45Å; I177-L179 PolarHBondContact O-N 2.85Å; I177-S180 PolarHBondContact O-N 3.44Å; I177-L181 HydrophobicContact CG2-CB 4.4Å; I177-L181 HydrophobicContact CG2-CD1 4.4Å; I177-L181 WeakPolarHBondContact O-CA 3.4Å; I177-L181 WeakPolarHBondContact O-CB 3.31Å; I177-L181 PolarHBondContact O-N 3.04Å; I177-G182 PolarHBondContact O-N 3.46Å; I177-I189 HydrophobicContact CB-CD1 4.5Å; I177-I189 HydrophobicContact CD1-CD1 4.34Å; I177-I189 HydrophobicContact CG2-CD1 3.92Å; I177-I189 HydrophobicContact CG2-CG2 4.26Å
178G98.6Very high98.4Very high0 Ų035.5 Ų35.50%022%0.22CC..Hα-helixtrans-61-42.617800000112.9W42 T46 I174 L175 G182W42-G178 PolarHBondContact NE1-O 2.95Å; T46-G178 VanDerWaalsContact CG2-C 3.47Å; I174-G178 PolarHBondContact O-N 3.03Å; L175-G178 PolarHBondContact O-N 3.4Å; G178-G182 WeakPolarHBondContact O-CA 3.3Å; G178-G182 PolarHBondContact O-N 2.79Å
179L98.5Very high98.4Very high83 Ų8332.4 Ų32.444%0.43520%0.204SC..Hα-helixtrans-67.4-37.9176.9-73.3172.7000112.9I43 T46 L175 I177I43-L179 HydrophobicContact CD1-CD2 3.81Å; T46-L179 HydrophobicContact CG2-CD2 4.22Å; T46-L179 HydrophobicContact CG2-CG 4.36Å; T46-L179 VanDerWaalsContact OG1-CD2 3.31Å; T46-L179 WeakPolarHBondContact OG1-CD2 3.46Å; L175-L179 HydrophobicContact CD1-CD1 3.66Å; L175-L179 HydrophobicContact CD1-CG 3.96Å; L175-L179 HydrophobicContact CG-CD1 3.99Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 3.12Å; I177-L179 PolarHBondContact O-N 2.85Å
180S98.5Very high98.5Very high85 Ų8532.1 Ų32.159%0.59420%0.2SC*.Hα-helixtrans-93.2-37.9-170.5-50.80000113.5V176 I177V176-S180 WeakPolarHBondContact O-CB 3.2Å; V176-S180 PolarHBondContact O-N 2.92Å; V176-S180 PolarHBondContact O-OG 3.46Å; I177-S180 PolarHBondContact O-N 3.44Å
181L98.5Very high98.5Very high65 Ų6531.3 Ų31.334%0.3420%0.195SC..Hα-helixtrans-121.7-11.5-168.4-57.3177.4000113I144 M148 I177I144-L181 HydrophobicContact CG2-CD1 4.12Å; M148-L181 HydrophobicContact CG-CD1 4.39Å; I177-L181 HydrophobicContact CG2-CB 4.4Å; I177-L181 HydrophobicContact CG2-CD1 4.4Å; I177-L181 WeakPolarHBondContact O-CA 3.4Å; I177-L181 WeakPolarHBondContact O-CB 3.31Å; I177-L181 PolarHBondContact O-N 3.04Å
182G98.1Very high98.5Very high0 Ų031.2 Ų31.20%019%0.194CC..G310 helixtrans-80.9-17.7-169.800000116.7W42 I177 G178 T184 T185 G186 Y187W42-G182 VanDerWaalsContact CZ2-C 3.47Å; I177-G182 PolarHBondContact O-N 3.46Å; G178-G182 WeakPolarHBondContact O-CA 3.3Å; G178-G182 PolarHBondContact O-N 2.79Å; G182-T184 PolarHBondContact O-N 3.44Å; G182-T185 PolarHBondContact O-N 3.35Å; G182-G186 WeakPolarHBondContact O-CA 3.37Å; G182-G186 PolarHBondContact O-N 3.39Å; G182-Y187 VanDerWaalsContact CA-CD1 3.47Å
183G97.3Very high98.5Very high56 Ų5627 Ų2758%0.57717%0.171SC*.G310 helixtrans-62.9-16.2-175.500000115.4
184T97.9Very high98.5Very high63 Ų6326.2 Ų26.239%0.38717%0.167SC..G310 helixtrans-89.6-33-177.956.60000114.4A131 S141 G182A131-T184 PolarHBondContact N-O 2.87Å; S141-T184 WeakPolarHBondContact CB-OG1 3.47Å; S141-T184 PolarHBondContact OG-OG1 3.44Å; S141-T184 VanDerWaalsContact OG-OG1 3.13Å; G182-T184 PolarHBondContact O-N 3.44Å
185T98.2Very high98.5Very high2 Ų227.7 Ų27.71%0.01218%0.175CC..THydrogen-bonded Turntrans-135.1-8.7-169.357.60000113.9T128 G129 N138 E142 G182 Y187T128-T185 WeakPolarHBondContact CB-O 3.04Å; G129-T185 PolarHBondContact N-O 2.97Å; G129-T185 CarbonylContact O-C 3.57Å; G129-T185 VanDerWaalsContact O-C 3.23Å; G129-T185 WeakPolarHBondContact O-CA 3.13Å; N138-T185 HydrophobicContact CB-CG2 3.89Å; E142-T185 WeakPolarHBondContact OE1-CB 3.28Å; E142-T185 PolarHBondContact OE1-OG1 3.21Å; G182-T185 PolarHBondContact O-N 3.35Å; T185-Y187 PolarHBondContact OG1-N 3.22Å
186G98.1Very high98.5Very high20 Ų2025.9 Ų25.921%0.20617%0.166CC..  trans84.610.4-167.700000114.3G182 A188G182-G186 WeakPolarHBondContact O-CA 3.37Å; G182-G186 PolarHBondContact O-N 3.39Å; G186-A188 PolarHBondContact O-N 3.47Å
187Y98.1Very high98.5Very high8 Ų822.5 Ų22.53%0.03115%0.145CC..  trans39.469.5178.961.6-64.5000112.7W42 T46 W49 I174 G182 T185 I189W42-Y187 AromaticContact CH2-CD1 3.69Å; W42-Y187 HydrophobicContact CH2-CD1 3.69Å; W42-Y187 AromaticContact CH2-CE1 3.42Å; W42-Y187 HydrophobicContact CH2-CE1 3.42Å; W42-Y187 VanDerWaalsContact CH2-CE1 3.42Å; W42-Y187 AromaticContact CZ2-CD1 3.59Å; W42-Y187 HydrophobicContact CZ2-CD1 3.59Å; W42-Y187 AromaticContact CZ2-CE1 3.38Å; W42-Y187 HydrophobicContact CZ2-CE1 3.38Å; W42-Y187 HydrophobicContact CZ3-CE1 4.48Å; T46-Y187 HydrophobicContact CG2-CE1 4.34Å; W49-Y187 HydrophobicContact CB-CE2 4.35Å; W49-Y187 WeakPolarHBondContact CB-OH 3.43Å; W49-Y187 HydrophobicContact CG-CE2 4.47Å; W49-Y187 VanDerWaalsContact CG-OH 3.29Å; I174-Y187 HydrophobicContact CG2-CE2 4.46Å; G182-Y187 VanDerWaalsContact CA-CD1 3.47Å; T185-Y187 PolarHBondContact OG1-N 3.22Å; Y187-I189 VanDerWaalsContact C-N 3.31Å; Y187-I189 HydrophobicContact CD2-CD1 4.29Å; Y187-I189 PolarHBondContact O-N 2.88Å
188A98.6Very high98.5Very high2 Ų222.2 Ų22.22%0.01714%0.144CC..  trans-58.8-51.8177.400000109.5T128 E142 G186 N190 D194 P220T128-A188 HydrophobicContact CG2-CB 3.66Å; E142-A188 PolarHBondContact OE1-N 2.87Å; E142-A188 WeakPolarHBondContact OE2-CB 3.22Å; E142-A188 PolarHBondContact OE2-N 2.87Å; G186-A188 PolarHBondContact O-N 3.47Å; A188-N190 WeakPolarHBondContact O-CA 3.38Å; A188-N190 VanDerWaalsContact O-CB 3.27Å; A188-N190 WeakPolarHBondContact O-CB 3.07Å; A188-N190 PolarHBondContact O-N 3.21Å; A188-D194 HydrophobicContact CB-CB 4.31Å; A188-P220 HydrophobicContact CB-CB 3.41Å; A188-P220 VanDerWaalsContact CB-CB 3.41Å
189I98.7Very high98.5Very high8 Ų824.9 Ų24.94%0.04116%0.158CC..  trans46.110.9-179.866176.4000115.5N69 E142 T146 L149 I174 I177 Y187N69-I189 PolarHBondContact ND2-O 3.48Å; E142-I189 PolarHBondContact OE2-N 3.08Å; T146-I189 WeakPolarHBondContact OG1-CA 3.32Å; T146-I189 WeakPolarHBondContact OG1-CB 3.3Å; T146-I189 PolarHBondContact OG1-O 3.42Å; L149-I189 HydrophobicContact CD2-CB 4.36Å; L149-I189 HydrophobicContact CD2-CD1 4.18Å; L149-I189 HydrophobicContact CD2-CG1 4.28Å; I174-I189 HydrophobicContact CD1-CD1 3.85Å; I177-I189 HydrophobicContact CB-CD1 4.5Å; I177-I189 HydrophobicContact CD1-CD1 4.34Å; I177-I189 HydrophobicContact CG2-CD1 3.92Å; I177-I189 HydrophobicContact CG2-CG2 4.26Å; Y187-I189 VanDerWaalsContact C-N 3.31Å; Y187-I189 HydrophobicContact CD2-CD1 4.29Å; Y187-I189 PolarHBondContact O-N 2.88Å
190N98.9Very high98.5Very high10 Ų1021 Ų215%0.05314%0.137CC..SBendtrans-163.4108.7-165.3178.7-14.4000108.6L68 N69 P70 A188 A192 R193 D194L68-N190 PolarHBondContact O-ND2 3.21Å; N69-N190 WeakPolarHBondContact CA-OD1 3.24Å; N69-N190 HydrophobicContact CB-CB 4.29Å; N69-N190 WeakPolarHBondContact CB-ND2 3.39Å; N69-N190 WeakPolarHBondContact ND2-CA 3.36Å; N69-N190 WeakPolarHBondContact ND2-CB 3.37Å; N69-N190 WeakPolarHBondContact OD1-CA 3.39Å; P70-N190 WeakPolarHBondContact CD-OD1 3.35Å; A188-N190 WeakPolarHBondContact O-CA 3.38Å; A188-N190 VanDerWaalsContact O-CB 3.27Å; A188-N190 WeakPolarHBondContact O-CB 3.07Å; A188-N190 PolarHBondContact O-N 3.21Å; N190-A192 VanDerWaalsContact C-N 3.29Å; N190-A192 PolarHBondContact O-N 3.24Å; N190-A192 WeakPolarHBondContact OD1-CB 3.43Å; N190-A192 PolarHBondContact OD1-N 2.77Å; N190-R193 HydrophobicContact CB-CB 3.69Å; N190-R193 PolarHBondContact O-N 3.36Å; N190-R193 PolarHBondContact OD1-N 3.26Å; N190-D194 PolarHBondContact O-N 2.86Å
191P98.9Very high98.6Very high6 Ų616.9 Ų16.94%0.03911%0.109CC..Hα-helixtrans-60.9-33.1179.2-26.235.8000114N69 P70 A71 D194 L195 I221 P224 I225N69-P191 WeakPolarHBondContact OD1-CD 3.45Å; P70-P191 HydrophobicContact CB-CB 4.12Å; P70-P191 HydrophobicContact CB-CG 4.07Å; P70-P191 HydrophobicContact CG-CB 4.06Å; P70-P191 HydrophobicContact CG-CG 4.47Å; A71-P191 HydrophobicContact CB-CG 4.4Å; P191-D194 PolarHBondContact O-N 3.09Å; P191-L195 WeakPolarHBondContact O-CB 3.18Å; P191-L195 PolarHBondContact O-N 2.91Å; P191-I221 HydrophobicContact CB-CG1 4.48Å; P191-P224 HydrophobicContact CG-CB 4.06Å; P191-I225 HydrophobicContact CG-CG1 4.15Å
192A98.9Very high98.6Very high0 Ų015.7 Ų15.70%011%0.108CC..Hα-helixtrans-72.3-35179.200000112.4T16 P70 Q94 M95 A98 N190 D194 G196 P197T16-A192 HydrophobicContact CG2-CB 4.3Å; P70-A192 VanDerWaalsContact CD-CB 3.47Å; P70-A192 HydrophobicContact CG-CB 3.87Å; Q94-A192 HydrophobicContact CB-CB 3.88Å; M95-A192 HydrophobicContact SD-CB 4.07Å; A98-A192 HydrophobicContact CB-CB 4.43Å; A98-A192 WeakPolarHBondContact CB-O 3.28Å; N190-A192 VanDerWaalsContact C-N 3.29Å; N190-A192 PolarHBondContact O-N 3.24Å; N190-A192 WeakPolarHBondContact OD1-CB 3.43Å; N190-A192 PolarHBondContact OD1-N 2.77Å; A192-D194 PolarHBondContact O-N 2.75Å; A192-G196 PolarHBondContact O-N 3.29Å; A192-P197 WeakPolarHBondContact O-CD 3.47Å
193R98.7Very high98.6Very high13 Ų1321.2 Ų21.25%0.04913%0.132CC..Hα-helixtrans-64.8-21.1175.2174.2-93.5178.9-83.13.8113.3L19 D24 W49 N190L19-R193 HydrophobicContact CD2-CB 4.41Å; L19-R193 HydrophobicContact CD2-CG 4.47Å; D24-R193 IonicContact OD1-NH1 3.28Å; D24-R193 PolarHBondContact OD1-NH1 3.42Å; W49-R193 HydrophobicContact CH2-CG 3.46Å; W49-R193 VanDerWaalsContact CH2-CG 3.46Å; W49-R193 HydrophobicContact CZ2-CG 4.32Å; W49-R193 HydrophobicContact CZ3-CG 3.59Å; N190-R193 HydrophobicContact CB-CB 3.69Å; N190-R193 PolarHBondContact O-N 3.36Å; N190-R193 PolarHBondContact OD1-N 3.26Å
194D98.8Very high98.6Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-105.3-58.2176.4-174.5-83.5000112.2T128 A188 N190 P191 A192 G196 P197 R198 P220T128-D194 WeakPolarHBondContact CB-OD2 3.31Å; T128-D194 PolarHBondContact N-OD2 3.01Å; T128-D194 PolarHBondContact OG1-OD2 3.37Å; A188-D194 HydrophobicContact CB-CB 4.31Å; N190-D194 PolarHBondContact O-N 2.86Å; P191-D194 PolarHBondContact O-N 3.09Å; A192-D194 PolarHBondContact O-N 2.75Å; D194-G196 PolarHBondContact O-N 3.23Å; D194-P197 WeakPolarHBondContact O-CD 3.49Å; D194-R198 VanDerWaalsContact CG-NH2 3.28Å; D194-R198 WeakPolarHBondContact O-CB 3.43Å; D194-R198 PolarHBondContact O-N 2.58Å; D194-R198 IonicContact OD1-CZ 3.27Å; D194-R198 VanDerWaalsContact OD1-CZ 3.28Å; D194-R198 IonicContact OD1-NE 3.32Å; D194-R198 PolarHBondContact OD1-NE 2.86Å; D194-R198 IonicContact OD1-NH2 3.62Å; D194-R198 PolarHBondContact OD1-NH2 3.2Å; D194-R198 IonicContact OD2-CZ 3.55Å; D194-R198 IonicContact OD2-NH2 2.69Å; D194-R198 PolarHBondContact OD2-NH2 3.5Å; D194-P220 HydrophobicContact CB-CB 3.83Å; D194-P220 HydrophobicContact CB-CG 4.05Å; D194-P220 VanDerWaalsContact OD1-CG 3.31Å; D194-P220 WeakPolarHBondContact OD1-CG 3.47Å
195L98.9Very high98.7Very high44 Ų4420.7 Ų20.723%0.2312%0.119CC..Hα-helixtrans-66.5-39.5-169.7-177.359.6000112M95 P191 R198 I199 W214 I221M95-L195 HydrophobicContact CE-CB 3.92Å; M95-L195 HydrophobicContact CE-CD2 3.89Å; M95-L195 HydrophobicContact CE-CG 3.7Å; M95-L195 HydrophobicContact SD-CB 4.39Å; M95-L195 HydrophobicContact SD-CD2 4.43Å; P191-L195 WeakPolarHBondContact O-CB 3.18Å; P191-L195 PolarHBondContact O-N 2.91Å; L195-R198 PolarHBondContact O-N 2.78Å; L195-I199 HydrophobicContact CD1-CD1 4.11Å; L195-I199 HydrophobicContact CD1-CG1 4.24Å; L195-I199 HydrophobicContact CG-CD1 3.96Å; L195-I199 WeakPolarHBondContact O-CB 3.37Å; L195-I199 WeakPolarHBondContact O-CD1 3.47Å; L195-I199 WeakPolarHBondContact O-CG1 3.22Å; L195-I199 PolarHBondContact O-N 3.48Å; L195-W214 HydrophobicContact CD1-CZ3 4.16Å; L195-I221 HydrophobicContact CB-CD1 4.41Å; L195-I221 HydrophobicContact CB-CG1 4.49Å; L195-I221 HydrophobicContact CD1-CD1 4.09Å; L195-I221 HydrophobicContact CD2-CD1 3.88Å; L195-I221 HydrophobicContact CD2-CG1 4.49Å; L195-I221 HydrophobicContact CG-CD1 4.34Å
196G98.8Very high98.7Very high0 Ų020.9 Ų20.90%012%0.12CC..Hα-helixtrans-60.8-58178.600000111.6I99 A192 D194 R198 I199 A200I99-G196 WeakPolarHBondContact CG1-O 3.16Å; A192-G196 PolarHBondContact O-N 3.29Å; D194-G196 PolarHBondContact O-N 3.23Å; G196-R198 VanDerWaalsContact C-N 3.32Å; G196-R198 PolarHBondContact O-N 3.42Å; G196-I199 WeakPolarHBondContact O-CB 3.43Å; G196-I199 PolarHBondContact O-N 2.99Å; G196-A200 PolarHBondContact O-N 3Å
197P98.9Very high98.7Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-62-34.2175.1-28.639.2000113.8V20 D24 A102 F126 A192 D194 I199 A200 H201V20-P197 HydrophobicContact CG1-CG 3.72Å; V20-P197 HydrophobicContact CG2-CG 4.23Å; D24-P197 WeakPolarHBondContact OD2-CB 3.42Å; D24-P197 WeakPolarHBondContact OD2-CG 3.11Å; A102-P197 HydrophobicContact CB-CB 3.8Å; A102-P197 HydrophobicContact CB-CG 4.12Å; F126-P197 HydrophobicContact CB-CB 3.89Å; F126-P197 HydrophobicContact CD1-CB 4.23Å; F126-P197 WeakPolarHBondContact O-CB 3.31Å; A192-P197 WeakPolarHBondContact O-CD 3.47Å; D194-P197 WeakPolarHBondContact O-CD 3.49Å; P197-I199 VanDerWaalsContact C-N 3.33Å; P197-I199 PolarHBondContact O-N 3.13Å; P197-A200 CarbonylContact O-C 3.23Å; P197-A200 WeakPolarHBondContact O-CA 3.3Å; P197-A200 WeakPolarHBondContact O-CB 3.38Å; P197-A200 PolarHBondContact O-N 2.9Å; P197-A200 VanDerWaalsContact O-N 3.12Å; P197-H201 PolarHBondContact O-N 3.4Å
198R98.8Very high98.7Very high1 Ų124.4 Ų24.40%0.00414%0.137CC..Hα-helixtrans-62.6-39.6174.9-170.9-177.3-61.9-84.1-0.3112.1A127 T128 D194 L195 G196 A202 S212 W214A127-R198 HydrophobicContact CB-CB 3.81Å; A127-R198 HydrophobicContact CB-CG 4.06Å; A127-R198 VanDerWaalsContact CB-NH2 3.33Å; T128-R198 PolarHBondContact O-NH2 3.4Å; D194-R198 VanDerWaalsContact CG-NH2 3.28Å; D194-R198 WeakPolarHBondContact O-CB 3.43Å; D194-R198 PolarHBondContact O-N 2.58Å; D194-R198 IonicContact OD1-CZ 3.27Å; D194-R198 VanDerWaalsContact OD1-CZ 3.28Å; D194-R198 IonicContact OD1-NE 3.32Å; D194-R198 PolarHBondContact OD1-NE 2.86Å; D194-R198 IonicContact OD1-NH2 3.62Å; D194-R198 PolarHBondContact OD1-NH2 3.2Å; D194-R198 IonicContact OD2-CZ 3.55Å; D194-R198 IonicContact OD2-NH2 2.69Å; D194-R198 PolarHBondContact OD2-NH2 3.5Å; L195-R198 PolarHBondContact O-N 2.78Å; G196-R198 VanDerWaalsContact C-N 3.32Å; G196-R198 PolarHBondContact O-N 3.42Å; R198-A202 PolarHBondContact O-N 2.8Å; R198-A202 VanDerWaalsContact O-N 3.1Å; R198-S212 WeakPolarHBondContact CD-O 3.45Å; R198-S212 PolarHBondContact NH1-O 3.06Å; R198-W214 HydrophobicContact CG-CE3 4.37Å; R198-W214 HydrophobicContact CG-CH2 4.08Å; R198-W214 HydrophobicContact CG-CZ3 3.9Å
199I98.9Very high98.6Very high57 Ų5727.4 Ų27.429%0.29215%0.149SC..Hα-helixtrans-63.1-45.4171.1-70163.7000109.8M95 I99 L195 G196 P197 H201 A202 F203 W214M95-I199 HydrophobicContact CE-CD1 3.99Å; I99-I199 HydrophobicContact CD1-CG2 4.2Å; L195-I199 HydrophobicContact CD1-CD1 4.11Å; L195-I199 HydrophobicContact CD1-CG1 4.24Å; L195-I199 HydrophobicContact CG-CD1 3.96Å; L195-I199 WeakPolarHBondContact O-CB 3.37Å; L195-I199 WeakPolarHBondContact O-CD1 3.47Å; L195-I199 WeakPolarHBondContact O-CG1 3.22Å; L195-I199 PolarHBondContact O-N 3.48Å; G196-I199 WeakPolarHBondContact O-CB 3.43Å; G196-I199 PolarHBondContact O-N 2.99Å; P197-I199 VanDerWaalsContact C-N 3.33Å; P197-I199 PolarHBondContact O-N 3.13Å; I199-H201 PolarHBondContact O-N 3.29Å; I199-A202 VanDerWaalsContact O-CB 3.29Å; I199-A202 WeakPolarHBondContact O-CB 3.44Å; I199-A202 PolarHBondContact O-N 3.32Å; I199-A202 VanDerWaalsContact O-N 3.08Å; I199-F203 HydrophobicContact CG2-CD1 4.1Å; I199-F203 HydrophobicContact CG2-CE1 4.14Å; I199-F203 WeakPolarHBondContact O-CD1 3.42Å; I199-F203 PolarHBondContact O-N 3.34Å; I199-W214 HydrophobicContact CG1-CH2 4.03Å
200A98.9Very high98.5Very high0 Ų027.8 Ų27.80%016%0.156CC..Hα-helixtrans-57.8-48.7175.800000112.4A102 G196 P197 A202 F203 L204A102-A200 HydrophobicContact CB-CB 3.61Å; G196-A200 PolarHBondContact O-N 3Å; P197-A200 CarbonylContact O-C 3.23Å; P197-A200 WeakPolarHBondContact O-CA 3.3Å; P197-A200 WeakPolarHBondContact O-CB 3.38Å; P197-A200 PolarHBondContact O-N 2.9Å; P197-A200 VanDerWaalsContact O-N 3.12Å; A200-A202 PolarHBondContact O-N 2.99Å; A200-F203 VanDerWaalsContact CA-CE1 3.42Å; A200-F203 HydrophobicContact CB-CE1 4.17Å; A200-F203 HydrophobicContact CB-CZ 4.16Å; A200-F203 PolarHBondContact O-N 3.4Å; A200-L204 HydrophobicContact CB-CD1 3.98Å; A200-L204 VanDerWaalsContact O-CB 3.22Å; A200-L204 WeakPolarHBondContact O-CB 3.15Å; A200-L204 WeakPolarHBondContact O-CD1 3.11Å; A200-L204 WeakPolarHBondContact O-CG 3.29Å; A200-L204 PolarHBondContact O-N 3.18Å
201H98.8Very high98.5Very high0 Ų030.3 Ų30.30%018%0.184CC..Hα-helixtrans-53.5-39.2173.6175.5-89.4000112.3F126 P197 I199 K209 S212F126-H201 HydrophobicContact CB-CB 3.96Å; F126-H201 HydrophobicContact CD1-CB 4.21Å; F126-H201 HydrophobicContact CD2-CB 4.14Å; F126-H201 AromaticContact CD2-CD2 3.85Å; F126-H201 HydrophobicContact CG-CB 3.83Å; P197-H201 PolarHBondContact O-N 3.4Å; I199-H201 PolarHBondContact O-N 3.29Å; H201-K209 PolarHBondContact O-NZ 2.99Å; H201-S212 PolarHBondContact ND1-OG 2.87Å
202A98.7Very high98.5Very high39 Ų3930.3 Ų30.332%0.32218%0.184SC..Hα-helixtrans-64.4-43.7-179.300000112.7R198 I199 A200 K209 S212 W214R198-A202 PolarHBondContact O-N 2.8Å; R198-A202 VanDerWaalsContact O-N 3.1Å; I199-A202 VanDerWaalsContact O-CB 3.29Å; I199-A202 WeakPolarHBondContact O-CB 3.44Å; I199-A202 PolarHBondContact O-N 3.32Å; I199-A202 VanDerWaalsContact O-N 3.08Å; A200-A202 PolarHBondContact O-N 2.99Å; A202-K209 PolarHBondContact O-NZ 2.98Å; A202-S212 WeakPolarHBondContact CA-OG 3.43Å; A202-S212 WeakPolarHBondContact CB-OG 3.21Å; A202-S212 PolarHBondContact N-OG 2.69Å; A202-W214 HydrophobicContact CB-CH2 4.43Å; A202-W214 HydrophobicContact CB-CZ2 3.64Å
203F98.5Very high98.5Very high117 Ų11732.6 Ų32.651%0.51320%0.196SC..Hα-helixtrans-93.2-23.9-177.372.1-109.9000114.5I99 V103 I199 A200I99-F203 HydrophobicContact CG2-CE1 4.03Å; I99-F203 HydrophobicContact CG2-CZ 3.94Å; V103-F203 HydrophobicContact CG2-CE2 4.28Å; V103-F203 HydrophobicContact CG2-CZ 4.03Å; I199-F203 HydrophobicContact CG2-CD1 4.1Å; I199-F203 HydrophobicContact CG2-CE1 4.14Å; I199-F203 WeakPolarHBondContact O-CD1 3.42Å; I199-F203 PolarHBondContact O-N 3.34Å; A200-F203 VanDerWaalsContact CA-CE1 3.42Å; A200-F203 HydrophobicContact CB-CE1 4.17Å; A200-F203 HydrophobicContact CB-CZ 4.16Å; A200-F203 PolarHBondContact O-N 3.4Å
204L98.7Very high98.4Very high11 Ų1138.4 Ų38.46%0.05822%0.218CC..SBendtrans-69.8138.6-176.8-76.3169.9000112V103 Y106 F126 A200 I206 K209V103-L204 HydrophobicContact CG2-CD1 4.26Å; V103-L204 HydrophobicContact CG2-CD2 4.23Å; Y106-L204 HydrophobicContact CD1-CD1 4.33Å; Y106-L204 HydrophobicContact CD1-CD2 3.77Å; Y106-L204 HydrophobicContact CE1-CD2 4.12Å; Y106-L204 HydrophobicContact CG-CD1 3.99Å; Y106-L204 HydrophobicContact CG-CD2 4.23Å; F126-L204 HydrophobicContact CE1-CD1 4.07Å; F126-L204 HydrophobicContact CZ-CD1 4.45Å; A200-L204 HydrophobicContact CB-CD1 3.98Å; A200-L204 VanDerWaalsContact O-CB 3.22Å; A200-L204 WeakPolarHBondContact O-CB 3.15Å; A200-L204 WeakPolarHBondContact O-CD1 3.11Å; A200-L204 WeakPolarHBondContact O-CG 3.29Å; A200-L204 PolarHBondContact O-N 3.18Å; L204-I206 HydrophobicContact CB-CD1 4.05Å; L204-I206 HydrophobicContact CB-CG1 3.8Å; L204-I206 PolarHBondContact O-N 3Å; L204-K209 WeakPolarHBondContact O-CD 3.43Å; L204-K209 WeakPolarHBondContact O-CE 3.35Å; L204-K209 PolarHBondContact O-NZ 3.27Å
205P98.2Very high98.4Very high96 Ų9641.2 Ų41.262%0.62325%0.247SC*.  trans-80.958.8-178.534.4-36.3000112.1P207P205-P207 WeakPolarHBondContact O-CD 3.29Å
206I98.6Very high98.4Very high6 Ų639.1 Ų39.13%0.03124%0.236CC..  trans-75.3122.8-176.6-53.1166.6000110Y106 W113 I122 F126 L204 K209Y106-I206 HydrophobicContact CD2-CD1 4.48Å; Y106-I206 HydrophobicContact CD2-CG1 3.67Å; Y106-I206 HydrophobicContact CE2-CB 4.42Å; Y106-I206 HydrophobicContact CE2-CG1 3.82Å; W113-I206 HydrophobicContact CB-CG2 3.91Å; W113-I206 HydrophobicContact CD2-CG2 3.75Å; W113-I206 HydrophobicContact CE3-CG2 3.64Å; W113-I206 HydrophobicContact CG-CG2 3.85Å; W113-I206 HydrophobicContact CZ3-CG2 4.39Å; I122-I206 HydrophobicContact CG2-CG2 3.84Å; F126-I206 HydrophobicContact CD2-CD1 4.38Å; F126-I206 HydrophobicContact CE1-CD1 4.39Å; F126-I206 HydrophobicContact CE2-CD1 3.51Å; F126-I206 HydrophobicContact CZ-CD1 3.53Å; L204-I206 HydrophobicContact CB-CD1 4.05Å; L204-I206 HydrophobicContact CB-CG1 3.8Å; L204-I206 PolarHBondContact O-N 3Å; I206-K209 HydrophobicContact CB-CB 3.98Å; I206-K209 HydrophobicContact CB-CD 4.01Å; I206-K209 HydrophobicContact CB-CG 4.42Å; I206-K209 HydrophobicContact CG2-CB 4.36Å; I206-K209 WeakPolarHBondContact O-CB 3.27Å; I206-K209 WeakPolarHBondContact O-CG 3.17Å; I206-K209 PolarHBondContact O-N 3.19Å
207P98Very high98.4Very high45 Ų4539.4 Ų39.429%0.29224%0.238SC..THydrogen-bonded Turntrans-54.1140.2173.3-2734000112.8W113 K114 I122 P205 K209W113-P207 HydrophobicContact CB-CB 4.4Å; W113-P207 HydrophobicContact CB-CG 4.15Å; K114-P207 HydrophobicContact CB-CB 4.38Å; I122-P207 WeakPolarHBondContact CD1-O 3.26Å; P205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-K209 PolarHBondContact O-N 3.11Å; P207-K209 VanDerWaalsContact O-N 3.11Å
208N98.1Very high98.3Very high57 Ų5745.2 Ų45.231%0.30527%0.268SS..THydrogen-bonded Turntrans60.310.1-179.9-36.2-73.9000115.3W113 K114 T116 K117 Q119 I122W113-N208 PolarHBondContact O-ND2 2.93Å; K114-N208 PolarHBondContact O-ND2 3.25Å; K114-N208 VanDerWaalsContact O-ND2 3.12Å; T116-N208 PolarHBondContact O-ND2 2.91Å; K117-N208 HydrophobicContact CD-CB 4.48Å; K117-N208 WeakPolarHBondContact CD-OD1 3.2Å; K117-N208 PolarHBondContact NZ-ND2 3.48Å; K117-N208 PolarHBondContact NZ-OD1 3.48Å; Q119-N208 WeakPolarHBondContact CG-O 3.43Å; I122-N208 HydrophobicContact CD1-CB 3.93Å
209K97.3Very high98.3Very high65 Ų6545.6 Ų45.628%0.28327%0.271SS..  trans-63.1140.3179.677.8179-164.5169.20112I122 H201 A202 L204 I206 P207I122-K209 HydrophobicContact CG2-CB 4.28Å; H201-K209 PolarHBondContact O-NZ 2.99Å; A202-K209 PolarHBondContact O-NZ 2.98Å; L204-K209 WeakPolarHBondContact O-CD 3.43Å; L204-K209 WeakPolarHBondContact O-CE 3.35Å; L204-K209 PolarHBondContact O-NZ 3.27Å; I206-K209 HydrophobicContact CB-CB 3.98Å; I206-K209 HydrophobicContact CB-CD 4.01Å; I206-K209 HydrophobicContact CB-CG 4.42Å; I206-K209 HydrophobicContact CG2-CB 4.36Å; I206-K209 WeakPolarHBondContact O-CB 3.27Å; I206-K209 WeakPolarHBondContact O-CG 3.17Å; I206-K209 PolarHBondContact O-N 3.19Å; P207-K209 PolarHBondContact O-N 3.11Å; P207-K209 VanDerWaalsContact O-N 3.11Å
210G97.3Very high98.3Very high17 Ų1742.9 Ų42.918%0.17526%0.257CS..  trans-86.8-159.1166.300000111.8Q119Q119-G210 VanDerWaalsContact CD-CA 3.44Å
211G98.1Very high98.3Very high62 Ų6244.7 Ų44.764%0.63927%0.267SS*.  trans-74.9163.5168.600000112.6D213G211-D213 VanDerWaalsContact C-N 3.28Å; G211-D213 PolarHBondContact O-N 3.45Å
212S98.6Very high98.3Very high6 Ų645.9 Ų45.94%0.04228%0.276CS..  trans-85.717.4-179.1-52.50000114.9R198 H201 A202 W214R198-S212 WeakPolarHBondContact CD-O 3.45Å; R198-S212 PolarHBondContact NH1-O 3.06Å; H201-S212 PolarHBondContact ND1-OG 2.87Å; A202-S212 WeakPolarHBondContact CA-OG 3.43Å; A202-S212 WeakPolarHBondContact CB-OG 3.21Å; A202-S212 PolarHBondContact N-OG 2.69Å; S212-W214 PolarHBondContact O-N 2.96Å
213D98.2Very high98.3Very high49 Ų4944 Ų4426%0.26226%0.261SS..  trans4254.3-176.4-164.616.4000114.6L123 R133 G211 G215 Y216 A217L123-D213 HydrophobicContact CD2-CB 3.84Å; R133-D213 IonicContact CZ-OD1 3.57Å; R133-D213 IonicContact CZ-OD2 3.9Å; R133-D213 IonicContact NH1-OD1 2.82Å; R133-D213 PolarHBondContact NH1-OD1 3.47Å; R133-D213 IonicContact NH1-OD2 2.89Å; R133-D213 IonicContact NH2-OD1 2.9Å; R133-D213 PolarHBondContact NH2-OD1 3.08Å; R133-D213 IonicContact NH2-OD2 3.69Å; G211-D213 VanDerWaalsContact C-N 3.28Å; G211-D213 PolarHBondContact O-N 3.45Å; D213-G215 PolarHBondContact O-N 2.92Å; D213-G215 VanDerWaalsContact O-N 3.12Å; D213-Y216 PolarHBondContact O-N 3.17Å; D213-Y216 WeakPolarHBondContact OD2-CB 3.19Å; D213-A217 PolarHBondContact O-N 3.27Å
214W98.4Very high98.3Very high135 Ų13538.5 Ų38.551%0.51124%0.237SC..THydrogen-bonded Turntrans-58.8-25.1179.7-63.1116.3000113.7L195 R198 I199 A202 S212 Y216 A217L195-W214 HydrophobicContact CD1-CZ3 4.16Å; R198-W214 HydrophobicContact CG-CE3 4.37Å; R198-W214 HydrophobicContact CG-CH2 4.08Å; R198-W214 HydrophobicContact CG-CZ3 3.9Å; I199-W214 HydrophobicContact CG1-CH2 4.03Å; A202-W214 HydrophobicContact CB-CH2 4.43Å; A202-W214 HydrophobicContact CB-CZ2 3.64Å; S212-W214 PolarHBondContact O-N 2.96Å; W214-Y216 PolarHBondContact O-N 3.02Å; W214-A217 HydrophobicContact CE3-CB 3.98Å; W214-A217 PolarHBondContact O-N 3.22Å
215G97.9Very high98.4Very high58 Ų5840.2 Ų40.260%0.59825%0.246SC*.THydrogen-bonded Turntrans-67.9-14.5173.600000114.1D213D213-G215 PolarHBondContact O-N 2.92Å; D213-G215 VanDerWaalsContact O-N 3.12Å
216Y98.4Very high98.4Very high1 Ų138.8 Ų38.80%0.00423%0.232CC..THydrogen-bonded Turntrans-102.3-22.9172-172.3-100.2000113P130 L135 N138 D213 W214 L218 V219 P220P130-Y216 HydrophobicContact CB-CD2 4.49Å; P130-Y216 HydrophobicContact CB-CE2 3.67Å; P130-Y216 HydrophobicContact CG-CD2 3.82Å; P130-Y216 HydrophobicContact CG-CE2 3.48Å; P130-Y216 VanDerWaalsContact CG-CE2 3.48Å; L135-Y216 HydrophobicContact CD2-CD2 3.77Å; L135-Y216 HydrophobicContact CD2-CE2 4.3Å; N138-Y216 HydrophobicContact CB-CE2 3.96Å; N138-Y216 WeakPolarHBondContact CB-OH 3.39Å; D213-Y216 PolarHBondContact O-N 3.17Å; D213-Y216 WeakPolarHBondContact OD2-CB 3.19Å; W214-Y216 PolarHBondContact O-N 3.02Å; Y216-L218 PolarHBondContact O-N 3.4Å; Y216-V219 HydrophobicContact CD2-CB 4.49Å; Y216-V219 HydrophobicContact CD2-CG2 4.2Å; Y216-V219 HydrophobicContact CE1-CB 4.27Å; Y216-V219 HydrophobicContact CE1-CG1 4.42Å; Y216-V219 HydrophobicContact CE2-CB 4.14Å; Y216-V219 HydrophobicContact CE2-CG1 4.23Å; Y216-V219 HydrophobicContact CE2-CG2 4.02Å; Y216-V219 WeakPolarHBondContact O-CB 3.36Å; Y216-V219 PolarHBondContact O-N 3.39Å; Y216-P220 WeakPolarHBondContact O-CD 3.39Å
217A98.4Very high98.4Very high6 Ų638.5 Ų38.55%0.0523%0.231CC..THydrogen-bonded Turntrans-55.4-23.1-169.600000115.6D213 W214 V219 P220 I221D213-A217 PolarHBondContact O-N 3.27Å; W214-A217 HydrophobicContact CE3-CB 3.98Å; W214-A217 PolarHBondContact O-N 3.22Å; A217-V219 VanDerWaalsContact C-N 3.33Å; A217-P220 WeakPolarHBondContact O-CD 3.36Å; A217-P220 WeakPolarHBondContact O-CG 3.23Å; A217-I221 WeakPolarHBondContact O-CD1 3.44Å; A217-I221 VanDerWaalsContact O-CG1 3.3Å; A217-I221 WeakPolarHBondContact O-CG1 3.45Å
218L98.4Very high98.4Very high121 Ų12136.4 Ų36.463%0.63422%0.217SC*.THydrogen-bonded Turntrans-70.5-28.3176.4-172.161000113Y216 I221 A222Y216-L218 PolarHBondContact O-N 3.4Å; L218-I221 PolarHBondContact O-N 3.35Å; L218-A222 HydrophobicContact CD1-CB 4.21Å; L218-A222 HydrophobicContact CG-CB 4.2Å; L218-A222 WeakPolarHBondContact O-CB 3.32Å; L218-A222 PolarHBondContact O-N 2.92Å
219V98.8Very high98.5Very high10 Ų1036.2 Ų36.26%0.06122%0.215CC..Hα-helixtrans-59.5-55.7179.9172.40000112L135 N138 E142 Y216 A217 I221 G223 P224L135-V219 HydrophobicContact CD2-CG2 4.03Å; N138-V219 HydrophobicContact CB-CG1 3.93Å; E142-V219 HydrophobicContact CG-CG1 4.08Å; Y216-V219 HydrophobicContact CD2-CB 4.49Å; Y216-V219 HydrophobicContact CD2-CG2 4.2Å; Y216-V219 HydrophobicContact CE1-CB 4.27Å; Y216-V219 HydrophobicContact CE1-CG1 4.42Å; Y216-V219 HydrophobicContact CE2-CB 4.14Å; Y216-V219 HydrophobicContact CE2-CG1 4.23Å; Y216-V219 HydrophobicContact CE2-CG2 4.02Å; Y216-V219 WeakPolarHBondContact O-CB 3.36Å; Y216-V219 PolarHBondContact O-N 3.39Å; A217-V219 VanDerWaalsContact C-N 3.33Å; V219-I221 PolarHBondContact O-N 2.58Å; V219-I221 VanDerWaalsContact O-N 3.09Å; V219-G223 PolarHBondContact O-N 3.08Å; V219-P224 WeakPolarHBondContact O-CD 3.44Å
220P98.6Very high98.6Very high0 Ų037.2 Ų37.20%022%0.223CC..Hα-helixtrans-72.84.5177.731.4-38.2000114.2A188 D194 Y216 A217 P224A188-P220 HydrophobicContact CB-CB 3.41Å; A188-P220 VanDerWaalsContact CB-CB 3.41Å; D194-P220 HydrophobicContact CB-CB 3.83Å; D194-P220 HydrophobicContact CB-CG 4.05Å; D194-P220 VanDerWaalsContact OD1-CG 3.31Å; D194-P220 WeakPolarHBondContact OD1-CG 3.47Å; Y216-P220 WeakPolarHBondContact O-CD 3.39Å; A217-P220 WeakPolarHBondContact O-CD 3.36Å; A217-P220 WeakPolarHBondContact O-CG 3.23Å; P220-P224 VanDerWaalsContact C-CD 3.49Å; P220-P224 WeakPolarHBondContact O-CD 3.37Å; P220-P224 VanDerWaalsContact O-CG 3.31Å; P220-P224 WeakPolarHBondContact O-CG 3.43Å
221I98.8Very high98.6Very high38 Ų3836.4 Ų36.420%0.19522%0.215CC..Hα-helixtrans-104.9-60172.2-61.1167000109.9P191 L195 A217 L218 V219 I225P191-I221 HydrophobicContact CB-CG1 4.48Å; L195-I221 HydrophobicContact CB-CD1 4.41Å; L195-I221 HydrophobicContact CB-CG1 4.49Å; L195-I221 HydrophobicContact CD1-CD1 4.09Å; L195-I221 HydrophobicContact CD2-CD1 3.88Å; L195-I221 HydrophobicContact CD2-CG1 4.49Å; L195-I221 HydrophobicContact CG-CD1 4.34Å; A217-I221 WeakPolarHBondContact O-CD1 3.44Å; A217-I221 VanDerWaalsContact O-CG1 3.3Å; A217-I221 WeakPolarHBondContact O-CG1 3.45Å; L218-I221 PolarHBondContact O-N 3.35Å; V219-I221 PolarHBondContact O-N 2.58Å; V219-I221 VanDerWaalsContact O-N 3.09Å; I221-I225 HydrophobicContact CG2-CD1 4Å; I221-I225 WeakPolarHBondContact O-CD1 3.48Å; I221-I225 VanDerWaalsContact O-CG1 3.26Å; I221-I225 WeakPolarHBondContact O-CG1 3.4Å; I221-I225 PolarHBondContact O-N 2.95Å
222A98.8Very high98.7Very high25 Ų2533.4 Ų33.421%0.20718%0.184CC..Hα-helixtrans-67.8-42.8-175.800000111.6L139 L218 I225 I226L139-A222 HydrophobicContact CD1-CB 4.11Å; L218-A222 HydrophobicContact CD1-CB 4.21Å; L218-A222 HydrophobicContact CG-CB 4.2Å; L218-A222 WeakPolarHBondContact O-CB 3.32Å; L218-A222 PolarHBondContact O-N 2.92Å; A222-I225 PolarHBondContact O-N 3.39Å; A222-I226 HydrophobicContact CB-CD1 4.49Å; A222-I226 WeakPolarHBondContact O-CB 3.48Å; A222-I226 WeakPolarHBondContact O-CD1 3.35Å; A222-I226 WeakPolarHBondContact O-CG1 3.46Å; A222-I226 PolarHBondContact O-N 2.89Å
223G98.8Very high98.7Very high0 Ų037.1 Ų37.10%020%0.203CC..Hα-helixtrans-57.5-54.3179.900000111.8I143 V219 I225 I226 G227I143-G223 WeakPolarHBondContact CG1-O 3.29Å; V219-G223 PolarHBondContact O-N 3.08Å; G223-I225 PolarHBondContact O-N 2.96Å; G223-I226 PolarHBondContact O-N 2.93Å; G223-G227 PolarHBondContact O-N 3.38Å
224P98.9Very high98.7Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-61.4-42.3177.8-31.441.7000114.3A71 E142 T146 P191 V219 P220 I226 G227 G228A71-P224 HydrophobicContact CB-CB 3.84Å; A71-P224 WeakPolarHBondContact CB-O 3.38Å; E142-P224 HydrophobicContact CB-CG 4.32Å; T146-P224 HydrophobicContact CG2-CB 3.98Å; T146-P224 WeakPolarHBondContact CG2-O 3.19Å; T146-P224 VanDerWaalsContact OG1-CA 3.23Å; T146-P224 WeakPolarHBondContact OG1-CA 3.39Å; T146-P224 VanDerWaalsContact OG1-CB 3.27Å; T146-P224 WeakPolarHBondContact OG1-CB 3.2Å; P191-P224 HydrophobicContact CG-CB 4.06Å; V219-P224 WeakPolarHBondContact O-CD 3.44Å; P220-P224 VanDerWaalsContact C-CD 3.49Å; P220-P224 WeakPolarHBondContact O-CD 3.37Å; P220-P224 VanDerWaalsContact O-CG 3.31Å; P220-P224 WeakPolarHBondContact O-CG 3.43Å; P224-I226 PolarHBondContact O-N 3.4Å; P224-G227 PolarHBondContact O-N 3.04Å; P224-G228 PolarHBondContact O-N 3.38Å
225I98.9Very high98.6Very high48 Ų4832.4 Ų32.425%0.24619%0.187CC..Hα-helixtrans-60.9-48.5177.7-69.3170.7000110.5I74 P191 I221 A222 G223 G228 I229I74-I225 HydrophobicContact CD1-CD1 4.34Å; I74-I225 HydrophobicContact CD1-CG1 4.12Å; I74-I225 HydrophobicContact CD1-CG2 4.27Å; P191-I225 HydrophobicContact CG-CG1 4.15Å; I221-I225 HydrophobicContact CG2-CD1 4Å; I221-I225 WeakPolarHBondContact O-CD1 3.48Å; I221-I225 VanDerWaalsContact O-CG1 3.26Å; I221-I225 WeakPolarHBondContact O-CG1 3.4Å; I221-I225 PolarHBondContact O-N 2.95Å; A222-I225 PolarHBondContact O-N 3.39Å; G223-I225 PolarHBondContact O-N 2.96Å; I225-G228 PolarHBondContact O-N 3.29Å; I225-I229 HydrophobicContact CG2-CD1 3.69Å; I225-I229 HydrophobicContact CG2-CG1 4.46Å; I225-I229 WeakPolarHBondContact O-CB 3.33Å; I225-I229 WeakPolarHBondContact O-CD1 3.27Å; I225-I229 WeakPolarHBondContact O-CG1 3.35Å; I225-I229 PolarHBondContact O-N 2.86Å
226I98.9Very high98.6Very high66 Ų6633.6 Ų33.634%0.33818%0.178SC..Hα-helixtrans-61.2-48.3178.2-67.6164.4000110.5I143 A222 G223 P224 G228 I229 L230I143-I226 HydrophobicContact CD1-CB 4.25Å; I143-I226 HydrophobicContact CD1-CD1 4.43Å; I143-I226 HydrophobicContact CD1-CG2 3.79Å; I143-I226 HydrophobicContact CG1-CB 4.07Å; I143-I226 HydrophobicContact CG1-CG2 3.95Å; I143-I226 HydrophobicContact CG2-CG2 4.41Å; A222-I226 HydrophobicContact CB-CD1 4.49Å; A222-I226 WeakPolarHBondContact O-CB 3.48Å; A222-I226 WeakPolarHBondContact O-CD1 3.35Å; A222-I226 WeakPolarHBondContact O-CG1 3.46Å; A222-I226 PolarHBondContact O-N 2.89Å; G223-I226 PolarHBondContact O-N 2.93Å; P224-I226 PolarHBondContact O-N 3.4Å; I226-G228 PolarHBondContact O-N 3.45Å; I226-I229 PolarHBondContact O-N 2.85Å; I226-L230 HydrophobicContact CG2-CD1 3.86Å; I226-L230 HydrophobicContact CG2-CG 4.31Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.32Å; I226-L230 PolarHBondContact O-N 3.23Å
227G98.9Very high98.5Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-58.5-44.8178.500000112.8I143 F147 G223 P224 L230 A231I143-G227 WeakPolarHBondContact O-CA 3.35Å; F147-G227 WeakPolarHBondContact CA-O 3.42Å; G223-G227 PolarHBondContact O-N 3.38Å; P224-G227 PolarHBondContact O-N 3.04Å; G227-L230 PolarHBondContact O-N 3.43Å; G227-A231 WeakPolarHBondContact O-CB 3.32Å; G227-A231 PolarHBondContact O-N 3.32Å
228G98.9Very high98.4Very high0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-64.5-40.8177.800000113.3P224 I225 I226 A232P224-G228 PolarHBondContact O-N 3.38Å; I225-G228 PolarHBondContact O-N 3.29Å; I226-G228 PolarHBondContact O-N 3.45Å; G228-A232 WeakPolarHBondContact O-CB 3.03Å; G228-A232 PolarHBondContact O-N 2.97Å
229I98.9Very high97.7Very high53 Ų5343.5 Ų43.527%0.27224%0.236SC..Hα-helixtrans-61.5-50.3174.3-68.9167.5000110.5I74 I78 I225 I226 A231 A232 L233I74-I229 HydrophobicContact CG2-CD1 4.38Å; I74-I229 HydrophobicContact CG2-CG1 3.96Å; I78-I229 HydrophobicContact CD1-CB 4.12Å; I78-I229 HydrophobicContact CD1-CG1 3.6Å; I78-I229 HydrophobicContact CD1-CG2 4.03Å; I225-I229 HydrophobicContact CG2-CD1 3.69Å; I225-I229 HydrophobicContact CG2-CG1 4.46Å; I225-I229 WeakPolarHBondContact O-CB 3.33Å; I225-I229 WeakPolarHBondContact O-CD1 3.27Å; I225-I229 WeakPolarHBondContact O-CG1 3.35Å; I225-I229 PolarHBondContact O-N 2.86Å; I226-I229 PolarHBondContact O-N 2.85Å; I229-A231 VanDerWaalsContact C-N 3.33Å; I229-A231 PolarHBondContact O-N 3.22Å; I229-A232 PolarHBondContact O-N 3.46Å; I229-L233 HydrophobicContact CG2-CD1 3.78Å; I229-L233 HydrophobicContact CG2-CG 4.27Å; I229-L233 WeakPolarHBondContact O-CG 3.37Å; I229-L233 PolarHBondContact O-N 3.47Å
230L98.9Very high96.5Very high86 Ų8651.4 Ų51.445%0.4527%0.274SS..Hα-helixtrans-61.4-40.9-178.6-69.7175000112.1I143 F147 I226 G227 L234I143-L230 HydrophobicContact CG2-CD1 4.14Å; F147-L230 HydrophobicContact CD2-CB 4.04Å; I226-L230 HydrophobicContact CG2-CD1 3.86Å; I226-L230 HydrophobicContact CG2-CG 4.31Å; I226-L230 VanDerWaalsContact O-CG 3.31Å; I226-L230 WeakPolarHBondContact O-CG 3.32Å; I226-L230 PolarHBondContact O-N 3.23Å; G227-L230 PolarHBondContact O-N 3.43Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 PolarHBondContact O-N 2.74Å
231A98.8Very high96.4Very high0 Ų054 Ų540%029%0.288CS..Hα-helixtrans-62.2-46.8175.700000112.2F147 V150 F151 G227 I229 L234 F235F147-A231 HydrophobicContact CB-CB 4.47Å; F147-A231 HydrophobicContact CD2-CB 3.69Å; F147-A231 HydrophobicContact CE2-CB 4.07Å; F147-A231 HydrophobicContact CG-CB 4.09Å; F147-A231 WeakPolarHBondContact O-CB 3.46Å; V150-A231 HydrophobicContact CB-CB 3.84Å; V150-A231 HydrophobicContact CG1-CB 3.93Å; F151-A231 HydrophobicContact CB-CB 3.95Å; G227-A231 WeakPolarHBondContact O-CB 3.32Å; G227-A231 PolarHBondContact O-N 3.32Å; I229-A231 VanDerWaalsContact C-N 3.33Å; I229-A231 PolarHBondContact O-N 3.22Å; A231-L234 PolarHBondContact O-N 3.25Å; A231-F235 VanDerWaalsContact O-CB 3.28Å; A231-F235 WeakPolarHBondContact O-CB 3.4Å; A231-F235 PolarHBondContact O-N 3.23Å
232A98.7Very high96.3Very high0 Ų054.8 Ų54.80%029%0.293CS..Hα-helixtrans-63.3-45.2178.600000112.2G75 I78 A79 L154 G228 I229 F235 M236G75-A232 VanDerWaalsContact O-CB 3.26Å; G75-A232 WeakPolarHBondContact O-CB 3.49Å; I78-A232 HydrophobicContact CB-CB 4.07Å; I78-A232 HydrophobicContact CG2-CB 3.81Å; A79-A232 HydrophobicContact CB-CB 4.37Å; L154-A232 HydrophobicContact CD1-CB 4.2Å; G228-A232 WeakPolarHBondContact O-CB 3.03Å; G228-A232 PolarHBondContact O-N 2.97Å; I229-A232 PolarHBondContact O-N 3.46Å; A232-F235 PolarHBondContact O-N 2.77Å; A232-M236 WeakPolarHBondContact O-CG 3.41Å; A232-M236 PolarHBondContact O-N 3.4Å; A232-M236 VanDerWaalsContact O-N 3.08Å
233L98.6Very high96.1Very high84 Ų8456.4 Ų56.444%0.4430%0.297SS..Hα-helixtrans-61.7-46.3177.7-70.4175.4000112.1I78 I229 F235 M236I78-L233 HydrophobicContact CG2-CD2 4.06Å; I78-L233 HydrophobicContact CG2-CG 4.44Å; I229-L233 HydrophobicContact CG2-CD1 3.78Å; I229-L233 HydrophobicContact CG2-CG 4.27Å; I229-L233 WeakPolarHBondContact O-CG 3.37Å; I229-L233 PolarHBondContact O-N 3.47Å; L233-F235 VanDerWaalsContact C-N 3.35Å; L233-M236 HydrophobicContact CD2-CE 3.76Å; L233-M236 PolarHBondContact O-N 2.69Å
234L98.4Very high96Very high67 Ų6759.8 Ų59.835%0.35132%0.315SS..Hα-helixtrans-61-46.6176.3178.965000110.8F147 F151 L230 A231 M236 I237 L238F147-L234 HydrophobicContact CE2-CD2 4.05Å; F147-L234 HydrophobicContact CZ-CD2 3.61Å; F151-L234 HydrophobicContact CD2-CD2 4.48Å; F151-L234 HydrophobicContact CE2-CD2 4.13Å; F151-L234 HydrophobicContact CE2-CG 4.46Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 PolarHBondContact O-N 2.74Å; A231-L234 PolarHBondContact O-N 3.25Å; L234-M236 VanDerWaalsContact C-N 3.27Å; L234-M236 PolarHBondContact O-N 3.18Å; L234-I237 HydrophobicContact CD1-CD1 4.24Å; L234-I237 HydrophobicContact CD1-CG1 4.32Å; L234-I237 WeakPolarHBondContact O-CG1 3.4Å; L234-I237 PolarHBondContact O-N 3.05Å; L234-I237 VanDerWaalsContact O-N 3.15Å; L234-L238 WeakPolarHBondContact O-CG 3.3Å; L234-L238 PolarHBondContact O-N 3.16Å
235F97.7Very high95.8Very high17 Ų1763.5 Ų63.58%0.07534%0.335CS..Hα-helixtrans-59.2-38.3-177.9-167.7-88.8000112.5F151 L154 A155 M158 A231 A232 L233 I237 L238 M240F151-F235 HydrophobicContact CD2-CB 4.45Å; F151-F235 HydrophobicContact CD2-CD2 4.2Å; F151-F235 HydrophobicContact CE2-CB 4.47Å; F151-F235 AromaticContact CE2-CD2 3.97Å; F151-F235 HydrophobicContact CE2-CD2 3.97Å; F151-F235 HydrophobicContact CZ-CD2 4.38Å; L154-F235 HydrophobicContact CB-CB 4.49Å; L154-F235 HydrophobicContact CB-CD1 3.84Å; L154-F235 HydrophobicContact CB-CD2 3.68Å; L154-F235 HydrophobicContact CB-CE1 3.91Å; L154-F235 HydrophobicContact CB-CE2 3.75Å; L154-F235 HydrophobicContact CB-CG 3.73Å; L154-F235 HydrophobicContact CB-CZ 3.86Å; L154-F235 HydrophobicContact CD1-CB 3.74Å; L154-F235 HydrophobicContact CD1-CD1 4.12Å; L154-F235 HydrophobicContact CD1-CD2 4.45Å; L154-F235 HydrophobicContact CD1-CG 3.85Å; L154-F235 HydrophobicContact CG-CD1 4.4Å; L154-F235 HydrophobicContact CG-CG 4.37Å; L154-F235 WeakPolarHBondContact O-CZ 3.41Å; A155-F235 HydrophobicContact CB-CE2 4.18Å; M158-F235 HydrophobicContact CG-CE1 4.42Å; M158-F235 HydrophobicContact CG-CZ 3.74Å; A231-F235 VanDerWaalsContact O-CB 3.28Å; A231-F235 WeakPolarHBondContact O-CB 3.4Å; A231-F235 PolarHBondContact O-N 3.23Å; A232-F235 PolarHBondContact O-N 2.77Å; L233-F235 VanDerWaalsContact C-N 3.35Å; F235-I237 VanDerWaalsContact C-N 3.29Å; F235-I237 PolarHBondContact O-N 3.12Å; F235-L238 PolarHBondContact O-N 3.46Å; F235-M240 HydrophobicContact CD1-SD 4.5Å; F235-M240 HydrophobicContact CE1-CE 4.48Å; F235-M240 HydrophobicContact CE1-SD 3.73Å; F235-M240 HydrophobicContact CZ-SD 4.11Å
236M96.5Very high95.6Very high84 Ų8464.5 Ų64.541%0.41434%0.341SS..Hα-helixtrans-68.8-21.4179.4-72.9-170.6-61.400114.8I78 A232 L233 L234I78-M236 HydrophobicContact CG2-CE 3.53Å; A232-M236 WeakPolarHBondContact O-CG 3.41Å; A232-M236 PolarHBondContact O-N 3.4Å; A232-M236 VanDerWaalsContact O-N 3.08Å; L233-M236 HydrophobicContact CD2-CE 3.76Å; L233-M236 PolarHBondContact O-N 2.69Å; L234-M236 VanDerWaalsContact C-N 3.27Å; L234-M236 PolarHBondContact O-N 3.18Å
237I96.8Very high95.3Very high136 Ų13664.4 Ų64.470%0.69734%0.341SS*.Hα-helixtrans-99.7-9.2-179.964.9165.5000113.2L234 F235L234-I237 HydrophobicContact CD1-CD1 4.24Å; L234-I237 HydrophobicContact CD1-CG1 4.32Å; L234-I237 WeakPolarHBondContact O-CG1 3.4Å; L234-I237 PolarHBondContact O-N 3.05Å; L234-I237 VanDerWaalsContact O-N 3.15Å; F235-I237 VanDerWaalsContact C-N 3.29Å; F235-I237 PolarHBondContact O-N 3.12Å
238L95.5Very high95.1Very high71 Ų7169.4 Ų69.437%0.37237%0.367SS..SBendtrans-68.4141.4175.4-72175.5000110F151 L234 F235 M240F151-L238 HydrophobicContact CE2-CD1 3.75Å; F151-L238 HydrophobicContact CZ-CD1 3.81Å; L234-L238 WeakPolarHBondContact O-CG 3.3Å; L234-L238 PolarHBondContact O-N 3.16Å; F235-L238 PolarHBondContact O-N 3.46Å; L238-M240 PolarHBondContact O-N 2.69Å
239P85.1Confident94.7Very high129 Ų12975.2 Ų75.284%0.83840%0.397SS*.  trans-63.7125.2172.827.7-32.5000108.8
240M73Confident94.4Very high175 Ų17577.2 Ų77.286%0.86241%0.409SS*.  trans-118.20176.3-66.8-168.2-73.800110.7M158 F235 L238M158-M240 HydrophobicContact CE-SD 3.87Å; M158-M240 HydrophobicContact CG-SD 4.49Å; M158-M240 HydrophobicContact SD-SD 4.01Å; F235-M240 HydrophobicContact CD1-SD 4.5Å; F235-M240 HydrophobicContact CE1-CE 4.48Å; F235-M240 HydrophobicContact CE1-SD 3.73Å; F235-M240 HydrophobicContact CZ-SD 4.11Å; L238-M240 PolarHBondContact O-N 2.69Å

Retrieved 240 of 240 residues in 225 ms (Link to these results)

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