A0A3Q0KQR4_SCHMA Loading...

Rhodopsin-like orphan GPCR,putative

AlphaFold DB , UniProt , Accession A0A3Q0KQR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 430 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
1M60.8Low66.8Low30 Ų3074 Ų7415%0.14841%0.405CS..  0-72.10-143.9-169.3-151.600115S3 E4 Y5 E82 T86M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.4Å; M1-E4 WeakPolarHBondContact CA-OE2 3.22Å; M1-E4 PolarHBondContact N-OE1 3.32Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 WeakPolarHBondContact O-CB 3.43Å; M1-E4 PolarHBondContact O-N 3.3Å; M1-E4 VanDerWaalsContact O-N 3.11Å; M1-Y5 HydrophobicContact CE-CE2 3.64Å; M1-Y5 HydrophobicContact CG-CD2 3.71Å; M1-Y5 HydrophobicContact CG-CE2 3.32Å; M1-Y5 WeakPolarHBondContact O-CD2 3.38Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.07Å; M1-Y5 HydrophobicContact SD-CE2 4.07Å; M1-E82 WeakPolarHBondContact CE-OE1 3.33Å; M1-E82 HydrophobicContact SD-CG 4.08Å; M1-T86 HydrophobicContact CB-CG2 4.4Å
2L63.7Low68.1Low29 Ų2968.9 Ų68.915%0.15238%0.379CS..Hα-helixtrans-60.2-45.4179.7-179.267.7000111.4E4 Y5 C6 A16 I20 W333L2-E4 PolarHBondContact O-N 2.84Å; L2-Y5 PolarHBondContact O-N 3.44Å; L2-C6 HydrophobicContact CD1-CB 3.82Å; L2-C6 HydrophobicContact CG-CB 4.36Å; L2-C6 CarbonylContact O-C 3.51Å; L2-C6 VanDerWaalsContact O-CA 3.3Å; L2-C6 WeakPolarHBondContact O-CA 3.43Å; L2-C6 WeakPolarHBondContact O-CB 3.37Å; L2-C6 PolarHBondContact O-N 3.47Å; L2-A16 HydrophobicContact CD1-CB 3.81Å; L2-A16 HydrophobicContact CD2-CB 4.45Å; L2-I20 HydrophobicContact CD2-CD1 3.76Å; L2-W333 HydrophobicContact CD1-CD2 3.93Å; L2-W333 HydrophobicContact CD1-CE3 3.73Å; L2-W333 HydrophobicContact CD1-CH2 4.03Å; L2-W333 HydrophobicContact CD1-CZ2 4.19Å; L2-W333 HydrophobicContact CD1-CZ3 3.79Å
3S57.6Low69.2Low70 Ų7065.2 Ų65.249%0.4936%0.357SS..Hα-helixtrans-63.6-21.1176.755.30000114.5M1M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.4Å
4E61.3Low70.3Confident112 Ų11272.6 Ų72.652%0.52338%0.379SS..Hα-helixtrans-82.7-41.1177-73.6145.8-138.400111.2M1 L2M1-E4 WeakPolarHBondContact CA-OE2 3.22Å; M1-E4 PolarHBondContact N-OE1 3.32Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 WeakPolarHBondContact O-CB 3.43Å; M1-E4 PolarHBondContact O-N 3.3Å; M1-E4 VanDerWaalsContact O-N 3.11Å; L2-E4 PolarHBondContact O-N 2.84Å
5Y65.8Low71.2Confident62 Ų6271.3 Ų71.324%0.24338%0.375CS..Hα-helixtrans-87.9-30.5-179.6-62.6-55.5000113.3M1 L2 T321 L329 W333M1-Y5 HydrophobicContact CE-CE2 3.64Å; M1-Y5 HydrophobicContact CG-CD2 3.71Å; M1-Y5 HydrophobicContact CG-CE2 3.32Å; M1-Y5 WeakPolarHBondContact O-CD2 3.38Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.07Å; M1-Y5 HydrophobicContact SD-CE2 4.07Å; L2-Y5 PolarHBondContact O-N 3.44Å; Y5-T321 HydrophobicContact CD1-CG2 3.31Å; Y5-T321 HydrophobicContact CE1-CG2 3.23Å; Y5-T321 HydrophobicContact CG-CG2 4.36Å; Y5-L329 WeakPolarHBondContact O-CB 3.49Å; Y5-W333 AromaticContact CD2-CD1 3.62Å; Y5-W333 AromaticContact CD2-NE1 3.91Å
6C70.4Confident72Confident0 Ų066.9 Ų66.90%035%0.351CS..SBendtrans-13286.2-179.3-175.10000107.6L2 H13 C330L2-C6 HydrophobicContact CD1-CB 3.82Å; L2-C6 HydrophobicContact CG-CB 4.36Å; L2-C6 CarbonylContact O-C 3.51Å; L2-C6 VanDerWaalsContact O-CA 3.3Å; L2-C6 WeakPolarHBondContact O-CA 3.43Å; L2-C6 WeakPolarHBondContact O-CB 3.37Å; L2-C6 PolarHBondContact O-N 3.47Å; C6-H13 PolarHBondContact O-CD2 2.76Å; C6-H13 VanDerWaalsContact O-CD2 3.27Å; C6-C330 VanDerWaalsContact CA-SG 3.54Å; C6-C330 HydrophobicContact CB-CB 3.86Å; C6-C330 WeakPolarHBondContact CB-SG 3.38Å; C6-C330 WeakPolarHBondContact SG-CB 2.96Å; C6-C330 CovalentContact SG-SG 2.02Å; C6-C330 PolarHBondContact SG-SG 3.22Å
7P69.2Low72.7Confident60 Ų6066.7 Ų66.739%0.3935%0.351SS..  trans-59.2146.7178.721.2-29.8000110.4N9 H10P7-N9 PolarHBondContact O-N 2.76Å; P7-H10 HydrophobicContact CG-CB 4.4Å; P7-H10 VanDerWaalsContact O-CB 3.26Å; P7-H10 WeakPolarHBondContact O-CB 2.85Å; P7-H10 PolarHBondContact O-N 3.47Å
8L67.2Low73.4Confident132 Ų13264.3 Ų64.369%0.69135%0.345SS*.THydrogen-bonded Turntrans-54.2-25.7-175.9-75.9158.7000113.8H10L8-H10 VanDerWaalsContact C-N 3.31Å
9N68Low74.1Confident165 Ų16562.7 Ų62.788%0.88234%0.335SS*.THydrogen-bonded Turntrans-84-1.1180-63.6-11.7000113.7P7P7-N9 PolarHBondContact O-N 2.76Å
10H73.9Confident74.7Confident61 Ų6160.9 Ų60.928%0.28232%0.324SS..SBendtrans-77.2135.4179.8-154.7-87.2000110.8P7 L8 S12 H13 D328 C330P7-H10 HydrophobicContact CG-CB 4.4Å; P7-H10 VanDerWaalsContact O-CB 3.26Å; P7-H10 WeakPolarHBondContact O-CB 2.85Å; P7-H10 PolarHBondContact O-N 3.47Å; L8-H10 VanDerWaalsContact C-N 3.31Å; H10-S12 PolarHBondContact O-N 3.12Å; H10-S12 VanDerWaalsContact O-N 3.08Å; H10-H13 WeakPolarHBondContact O-CB 3.47Å; H10-H13 PolarHBondContact O-N 2.87Å; H10-D328 VanDerWaalsContact CE1-CG 3.49Å; H10-D328 IonicContact CE1-OD1 3.82Å; H10-D328 PolarHBondContact CE1-OD1 3.32Å; H10-D328 VanDerWaalsContact CE1-OD1 3.3Å; H10-D328 IonicContact CE1-OD2 3.39Å; H10-D328 PolarHBondContact CE1-OD2 2.91Å; H10-D328 IonicContact ND1-OD1 3.3Å; H10-D328 IonicContact ND1-OD2 2.79Å; H10-C330 VanDerWaalsContact CG-SG 3.6Å; H10-C330 PolarHBondContact ND1-SG 3.25Å; H10-C330 VanDerWaalsContact ND1-SG 3.42Å
11S77.1Confident75.2Confident93 Ų9366.9 Ų66.965%0.6534%0.343SS*.THydrogen-bonded Turntrans-55.2-32.7-177.253.50000113Y14S11-Y14 WeakPolarHBondContact O-CD1 3.24Å; S11-Y14 WeakPolarHBondContact O-CE1 3.43Å
12S82.7Confident76.3Confident13 Ų1373.9 Ų73.99%0.09137%0.369CS..THydrogen-bonded Turntrans-914.8-176.9-55.80000114.9H10 Y14 V15 D328H10-S12 PolarHBondContact O-N 3.12Å; H10-S12 VanDerWaalsContact O-N 3.08Å; S12-Y14 PolarHBondContact O-N 2.85Å; S12-V15 WeakPolarHBondContact O-CB 3.38Å; S12-V15 PolarHBondContact O-N 3.29Å; S12-D328 VanDerWaalsContact CB-OD2 3.22Å; S12-D328 WeakPolarHBondContact CB-OD2 3.38Å; S12-D328 PolarHBondContact OG-OD2 3.25Å
13H81.8Confident77.4Confident20 Ų2074 Ų749%0.09337%0.368CS..Hα-helixtrans-60-32.6-178.8-170.2-73000112.9C6 H10 V15 A16 N17C6-H13 PolarHBondContact O-CD2 2.76Å; C6-H13 VanDerWaalsContact O-CD2 3.27Å; H10-H13 WeakPolarHBondContact O-CB 3.47Å; H10-H13 PolarHBondContact O-N 2.87Å; H13-V15 PolarHBondContact O-N 2.83Å; H13-A16 PolarHBondContact O-N 3.41Å; H13-N17 PolarHBondContact CE1-ND2 3.41Å; H13-N17 VanDerWaalsContact CE1-ND2 3.3Å; H13-N17 PolarHBondContact CE1-OD1 3.47Å; H13-N17 VanDerWaalsContact CE1-OD1 3.27Å; H13-N17 PolarHBondContact ND1-ND2 3.35Å; H13-N17 VanDerWaalsContact ND1-ND2 3.14Å; H13-N17 PolarHBondContact O-N 2.89Å
14Y84.7Confident78.8Confident170 Ų17070.7 Ų70.767%0.66735%0.345SS*.Hα-helixtrans-62.5-30.4176.174.5-89.2000112.6S11 S12 G18S11-Y14 WeakPolarHBondContact O-CD1 3.24Å; S11-Y14 WeakPolarHBondContact O-CE1 3.43Å; S12-Y14 PolarHBondContact O-N 2.85Å; Y14-G18 PolarHBondContact O-N 3.48Å
15V84.6Confident80Confident53 Ų5367.4 Ų67.432%0.32134%0.335SS..Hα-helixtrans-67.8-46.3177.6-177.70000110S12 H13 G18 F19S12-V15 WeakPolarHBondContact O-CB 3.38Å; S12-V15 PolarHBondContact O-N 3.29Å; H13-V15 PolarHBondContact O-N 2.83Å; V15-G18 PolarHBondContact O-N 3.32Å; V15-F19 WeakPolarHBondContact O-CB 3.23Å; V15-F19 PolarHBondContact O-N 3.11Å
16A83.5Confident81Confident0 Ų071.6 Ų71.60%035%0.35CS..Hα-helixtrans-62.7-44.7177.200000111.3L2 H13 G18 F19 I20 W333L2-A16 HydrophobicContact CD1-CB 3.81Å; L2-A16 HydrophobicContact CD2-CB 4.45Å; H13-A16 PolarHBondContact O-N 3.41Å; A16-G18 PolarHBondContact O-N 3.08Å; A16-F19 PolarHBondContact O-N 3.45Å; A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.42Å; A16-I20 PolarHBondContact O-N 3.2Å; A16-W333 HydrophobicContact CB-CE3 4.32Å; A16-W333 HydrophobicContact CB-CZ3 4.29Å
17N84.1Confident81.8Confident64 Ų6474 Ų7434%0.34236%0.359SS..Hα-helixtrans-59.5-46.5174.3-79.4-13.2000112H13 F19 I20 W21H13-N17 PolarHBondContact CE1-ND2 3.41Å; H13-N17 VanDerWaalsContact CE1-ND2 3.3Å; H13-N17 PolarHBondContact CE1-OD1 3.47Å; H13-N17 VanDerWaalsContact CE1-OD1 3.27Å; H13-N17 PolarHBondContact ND1-ND2 3.35Å; H13-N17 VanDerWaalsContact ND1-ND2 3.14Å; H13-N17 PolarHBondContact O-N 2.89Å; N17-F19 VanDerWaalsContact C-N 3.33Å; N17-F19 PolarHBondContact O-N 3.39Å; N17-I20 PolarHBondContact O-N 3.24Å; N17-W21 WeakPolarHBondContact O-CB 3.25Å; N17-W21 VanDerWaalsContact O-CD1 3.28Å; N17-W21 PolarHBondContact O-N 2.83Å
18G85.5Confident82.7Confident24 Ų2471.1 Ų71.125%0.24734%0.341CS..Hα-helixtrans-58.7-45.1176.300000111.6Y14 V15 A16 I20 W21 Y22Y14-G18 PolarHBondContact O-N 3.48Å; V15-G18 PolarHBondContact O-N 3.32Å; A16-G18 PolarHBondContact O-N 3.08Å; G18-I20 PolarHBondContact O-N 3.31Å; G18-W21 PolarHBondContact O-N 3.15Å; G18-Y22 WeakPolarHBondContact O-CB 3.25Å; G18-Y22 WeakPolarHBondContact O-CD2 3.34Å; G18-Y22 PolarHBondContact O-N 2.87Å
19F87.1Confident83.8Confident34 Ų3467.4 Ų67.415%0.14932%0.321CS..Hα-helixtrans-61.5-41.5176.5-178.4-110.2000112.6V15 A16 N17 F23 F24 T334 Q337 F338V15-F19 WeakPolarHBondContact O-CB 3.23Å; V15-F19 PolarHBondContact O-N 3.11Å; A16-F19 PolarHBondContact O-N 3.45Å; N17-F19 VanDerWaalsContact C-N 3.33Å; N17-F19 PolarHBondContact O-N 3.39Å; F19-F23 HydrophobicContact CD2-CB 3.77Å; F19-F23 HydrophobicContact CD2-CG 4.34Å; F19-F23 HydrophobicContact CE1-CD1 4.29Å; F19-F23 HydrophobicContact CE2-CB 3.54Å; F19-F23 AromaticContact CE2-CD1 3.94Å; F19-F23 HydrophobicContact CE2-CD1 3.94Å; F19-F23 HydrophobicContact CE2-CD2 4.14Å; F19-F23 AromaticContact CE2-CG 3.61Å; F19-F23 HydrophobicContact CE2-CG 3.61Å; F19-F23 HydrophobicContact CG-CB 4.34Å; F19-F23 HydrophobicContact CZ-CB 3.96Å; F19-F23 AromaticContact CZ-CD1 3.59Å; F19-F23 HydrophobicContact CZ-CD1 3.59Å; F19-F23 HydrophobicContact CZ-CE1 4.2Å; F19-F23 AromaticContact CZ-CG 3.79Å; F19-F23 HydrophobicContact CZ-CG 3.79Å; F19-F23 WeakPolarHBondContact O-CA 3.25Å; F19-F23 WeakPolarHBondContact O-CB 3.46Å; F19-F23 PolarHBondContact O-N 3.3Å; F19-F24 HydrophobicContact CD1-CD2 4.43Å; F19-F24 HydrophobicContact CD1-CE2 4.27Å; F19-F24 HydrophobicContact CE1-CD2 4.13Å; F19-F24 AromaticContact CE1-CE2 3.63Å; F19-F24 HydrophobicContact CE1-CE2 3.63Å; F19-F24 HydrophobicContact CZ-CE2 4.27Å; F19-T334 HydrophobicContact CB-CG2 3.81Å; F19-T334 HydrophobicContact CD1-CG2 3.71Å; F19-T334 HydrophobicContact CD2-CG2 4.03Å; F19-T334 HydrophobicContact CE1-CG2 4.23Å; F19-T334 HydrophobicContact CG-CG2 3.58Å; F19-Q337 HydrophobicContact CE1-CB 3.87Å; F19-F338 HydrophobicContact CE2-CB 4.26Å; F19-F338 HydrophobicContact CE2-CD2 4.17Å; F19-F338 HydrophobicContact CZ-CB 3.8Å; F19-F338 HydrophobicContact CZ-CD2 4.28Å
20I85.9Confident84.9Confident25 Ų2562.5 Ų62.513%0.12830%0.297CS..Iπ-helixtrans-64.2-47.9176.1-66.2165.9000110.9L2 A16 N17 G18 F24 S25 V83 I84 W333L2-I20 HydrophobicContact CD2-CD1 3.76Å; A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.42Å; A16-I20 PolarHBondContact O-N 3.2Å; N17-I20 PolarHBondContact O-N 3.24Å; G18-I20 PolarHBondContact O-N 3.31Å; I20-F24 WeakPolarHBondContact O-CB 3.32Å; I20-F24 PolarHBondContact O-N 3.05Å; I20-F24 VanDerWaalsContact O-N 3.13Å; I20-S25 PolarHBondContact O-N 2.98Å; I20-S25 VanDerWaalsContact O-N 3.11Å; I20-S25 PolarHBondContact O-OG 3.18Å; I20-S25 VanDerWaalsContact O-OG 3.11Å; I20-V83 HydrophobicContact CD1-CG1 4.32Å; I20-V83 HydrophobicContact CG1-CG1 3.9Å; I20-V83 HydrophobicContact CG2-CG1 4.25Å; I20-I84 HydrophobicContact CG2-CD1 3.58Å; I20-W333 HydrophobicContact CD1-CH2 3.8Å; I20-W333 HydrophobicContact CD1-CZ3 4.13Å; I20-W333 HydrophobicContact CG1-CH2 4Å; I20-W333 HydrophobicContact CG1-CZ3 4.22Å
21W83.7Confident85.7Confident187 Ų18760.2 Ų60.271%0.70829%0.288SS*.Iπ-helixtrans-64-42.6-179.7-87.6104000112.9N17 G18 S25N17-W21 WeakPolarHBondContact O-CB 3.25Å; N17-W21 VanDerWaalsContact O-CD1 3.28Å; N17-W21 PolarHBondContact O-N 2.83Å; G18-W21 PolarHBondContact O-N 3.15Å; W21-S25 WeakPolarHBondContact CA-OG 3.18Å; W21-S25 WeakPolarHBondContact O-CB 3.37Å; W21-S25 PolarHBondContact O-OG 3.46Å
22Y84.3Confident86.3Confident178 Ų17856 Ų5670%0.69826%0.258SS*.Iπ-helixtrans-82-58.4178.1-70-69.2000111.2G18 W26G18-Y22 WeakPolarHBondContact O-CB 3.25Å; G18-Y22 WeakPolarHBondContact O-CD2 3.34Å; G18-Y22 PolarHBondContact O-N 2.87Å; Y22-W26 PolarHBondContact O-NE1 2.94Å
23F87.7Confident86.8Confident32 Ų3259.7 Ų59.714%0.1428%0.276CS..Iπ-helixtrans-75.5-48.3-170-169.2-99.7000113.5F19 Y27 M28 F338 S341F19-F23 HydrophobicContact CD2-CB 3.77Å; F19-F23 HydrophobicContact CD2-CG 4.34Å; F19-F23 HydrophobicContact CE1-CD1 4.29Å; F19-F23 HydrophobicContact CE2-CB 3.54Å; F19-F23 AromaticContact CE2-CD1 3.94Å; F19-F23 HydrophobicContact CE2-CD1 3.94Å; F19-F23 HydrophobicContact CE2-CD2 4.14Å; F19-F23 AromaticContact CE2-CG 3.61Å; F19-F23 HydrophobicContact CE2-CG 3.61Å; F19-F23 HydrophobicContact CG-CB 4.34Å; F19-F23 HydrophobicContact CZ-CB 3.96Å; F19-F23 AromaticContact CZ-CD1 3.59Å; F19-F23 HydrophobicContact CZ-CD1 3.59Å; F19-F23 HydrophobicContact CZ-CE1 4.2Å; F19-F23 AromaticContact CZ-CG 3.79Å; F19-F23 HydrophobicContact CZ-CG 3.79Å; F19-F23 WeakPolarHBondContact O-CA 3.25Å; F19-F23 WeakPolarHBondContact O-CB 3.46Å; F19-F23 PolarHBondContact O-N 3.3Å; F23-Y27 AromaticContact CD2-CD1 3.92Å; F23-Y27 HydrophobicContact CD2-CD1 3.92Å; F23-Y27 HydrophobicContact CD2-CG 4.36Å; F23-Y27 HydrophobicContact CE1-CD1 4.1Å; F23-Y27 HydrophobicContact CE1-CE1 4.44Å; F23-Y27 AromaticContact CE2-CD1 3.34Å; F23-Y27 HydrophobicContact CE2-CD1 3.34Å; F23-Y27 AromaticContact CE2-CE1 3.65Å; F23-Y27 HydrophobicContact CE2-CE1 3.65Å; F23-Y27 HydrophobicContact CE2-CG 4.09Å; F23-Y27 AromaticContact CZ-CD1 3.45Å; F23-Y27 HydrophobicContact CZ-CD1 3.45Å; F23-Y27 VanDerWaalsContact CZ-CD1 3.45Å; F23-Y27 AromaticContact CZ-CE1 3.54Å; F23-Y27 HydrophobicContact CZ-CE1 3.54Å; F23-Y27 WeakPolarHBondContact O-CB 3.45Å; F23-Y27 PolarHBondContact O-N 3.45Å; F23-M28 HydrophobicContact CD1-CG 3.92Å; F23-M28 HydrophobicContact CE1-CG 3.69Å; F23-M28 HydrophobicContact CE1-SD 3.73Å; F23-M28 HydrophobicContact CZ-SD 4.25Å; F23-M28 PolarHBondContact O-N 3.43Å; F23-M28 VanDerWaalsContact O-N 3.12Å; F23-F338 HydrophobicContact CE2-CD2 4.42Å; F23-F338 HydrophobicContact CE2-CE2 4.45Å; F23-F338 HydrophobicContact CZ-CD2 4.46Å; F23-S341 WeakPolarHBondContact CE1-OG 3.41Å; F23-S341 VanDerWaalsContact CZ-OG 3.22Å; F23-S341 WeakPolarHBondContact CZ-OG 3.25Å
24F86.5Confident87.3Confident0 Ų062.3 Ų62.30%029%0.29CS..Iπ-helixtrans-78.1-38-175.9-81.6-97.9000112.7F19 I20 W26 M28 M79 Y80 V83 I84 Q337F19-F24 HydrophobicContact CD1-CD2 4.43Å; F19-F24 HydrophobicContact CD1-CE2 4.27Å; F19-F24 HydrophobicContact CE1-CD2 4.13Å; F19-F24 AromaticContact CE1-CE2 3.63Å; F19-F24 HydrophobicContact CE1-CE2 3.63Å; F19-F24 HydrophobicContact CZ-CE2 4.27Å; I20-F24 WeakPolarHBondContact O-CB 3.32Å; I20-F24 PolarHBondContact O-N 3.05Å; I20-F24 VanDerWaalsContact O-N 3.13Å; F24-W26 VanDerWaalsContact C-N 3.35Å; F24-W26 PolarHBondContact O-N 3.05Å; F24-M28 HydrophobicContact CD1-CB 4.35Å; F24-M28 HydrophobicContact CD1-CG 3.94Å; F24-M28 HydrophobicContact CE1-CG 4.2Å; F24-M28 HydrophobicContact CG-CG 4.24Å; F24-M79 HydrophobicContact CE1-CE 3.99Å; F24-M79 HydrophobicContact CE1-CG 4.43Å; F24-M79 HydrophobicContact CZ-CE 3.52Å; F24-Y80 HydrophobicContact CD1-CD2 4.05Å; F24-Y80 WeakPolarHBondContact O-CE2 3.4Å; F24-V83 HydrophobicContact CB-CG1 4.47Å; F24-V83 HydrophobicContact CD1-CB 3.87Å; F24-V83 HydrophobicContact CD1-CG1 3.89Å; F24-V83 HydrophobicContact CD1-CG2 4.3Å; F24-V83 HydrophobicContact CD2-CG1 3.96Å; F24-V83 HydrophobicContact CE1-CB 3.74Å; F24-V83 HydrophobicContact CE1-CG1 4.04Å; F24-V83 HydrophobicContact CE1-CG2 3.65Å; F24-V83 HydrophobicContact CE2-CG1 4.09Å; F24-V83 HydrophobicContact CE2-CG2 4.32Å; F24-V83 HydrophobicContact CG-CB 4.35Å; F24-V83 HydrophobicContact CG-CG1 3.84Å; F24-V83 HydrophobicContact CZ-CB 4.1Å; F24-V83 HydrophobicContact CZ-CG1 4.13Å; F24-V83 HydrophobicContact CZ-CG2 3.65Å; F24-I84 HydrophobicContact CB-CD1 3.87Å; F24-I84 HydrophobicContact CB-CG1 4.23Å; F24-Q337 HydrophobicContact CE2-CB 4.14Å; F24-Q337 HydrophobicContact CZ-CB 4.2Å
25S85.8Confident87.6Confident43 Ų4354.2 Ų54.230%0.30126%0.258SS..Iπ-helixtrans-73-22.2-171.2-49.80000114.6I20 W21 I29I20-S25 PolarHBondContact O-N 2.98Å; I20-S25 VanDerWaalsContact O-N 3.11Å; I20-S25 PolarHBondContact O-OG 3.18Å; I20-S25 VanDerWaalsContact O-OG 3.11Å; W21-S25 WeakPolarHBondContact CA-OG 3.18Å; W21-S25 WeakPolarHBondContact O-CB 3.37Å; W21-S25 PolarHBondContact O-OG 3.46Å; S25-I29 VanDerWaalsContact O-CD1 3.23Å; S25-I29 WeakPolarHBondContact O-CD1 3.36Å
26W86.6Confident87.9Confident150 Ų15053.1 Ų53.157%0.56825%0.25SS*.Iπ-helixtrans-125.8-49175.674.3-96.4000113.3Y22 F24 T30Y22-W26 PolarHBondContact O-NE1 2.94Å; F24-W26 VanDerWaalsContact C-N 3.35Å; F24-W26 PolarHBondContact O-N 3.05Å; W26-T30 WeakPolarHBondContact O-CB 3.38Å; W26-T30 WeakPolarHBondContact O-CG2 3.21Å; W26-T30 PolarHBondContact O-N 2.75Å; W26-T30 PolarHBondContact O-OG1 2.9Å
27Y89Confident88.3Confident50 Ų5057.4 Ų57.420%0.19627%0.272CS..Iπ-helixtrans-68.3-51.7-171.6171.9-92.9000111.7F23 I29 T30 S31 F345F23-Y27 AromaticContact CD2-CD1 3.92Å; F23-Y27 HydrophobicContact CD2-CD1 3.92Å; F23-Y27 HydrophobicContact CD2-CG 4.36Å; F23-Y27 HydrophobicContact CE1-CD1 4.1Å; F23-Y27 HydrophobicContact CE1-CE1 4.44Å; F23-Y27 AromaticContact CE2-CD1 3.34Å; F23-Y27 HydrophobicContact CE2-CD1 3.34Å; F23-Y27 AromaticContact CE2-CE1 3.65Å; F23-Y27 HydrophobicContact CE2-CE1 3.65Å; F23-Y27 HydrophobicContact CE2-CG 4.09Å; F23-Y27 AromaticContact CZ-CD1 3.45Å; F23-Y27 HydrophobicContact CZ-CD1 3.45Å; F23-Y27 VanDerWaalsContact CZ-CD1 3.45Å; F23-Y27 AromaticContact CZ-CE1 3.54Å; F23-Y27 HydrophobicContact CZ-CE1 3.54Å; F23-Y27 WeakPolarHBondContact O-CB 3.45Å; F23-Y27 PolarHBondContact O-N 3.45Å; Y27-I29 PolarHBondContact O-N 3.45Å; Y27-T30 PolarHBondContact O-N 2.91Å; Y27-T30 PolarHBondContact O-OG1 3.4Å; Y27-T30 VanDerWaalsContact O-OG1 3.07Å; Y27-S31 WeakPolarHBondContact O-CB 3.15Å; Y27-S31 PolarHBondContact O-N 3.26Å; Y27-F345 VanDerWaalsContact OH-CD2 3.32Å; Y27-F345 WeakPolarHBondContact OH-CD2 3.45Å; Y27-F345 WeakPolarHBondContact OH-CE2 3.27Å
28M88Confident88.6Confident0 Ų057.8 Ų57.80%027%0.271CS..Iπ-helixtrans-60-44.4-179.5-75.1-64.4-70.900112.4F23 F24 N32 M79 Y80F23-M28 HydrophobicContact CD1-CG 3.92Å; F23-M28 HydrophobicContact CE1-CG 3.69Å; F23-M28 HydrophobicContact CE1-SD 3.73Å; F23-M28 HydrophobicContact CZ-SD 4.25Å; F23-M28 PolarHBondContact O-N 3.43Å; F23-M28 VanDerWaalsContact O-N 3.12Å; F24-M28 HydrophobicContact CD1-CB 4.35Å; F24-M28 HydrophobicContact CD1-CG 3.94Å; F24-M28 HydrophobicContact CE1-CG 4.2Å; F24-M28 HydrophobicContact CG-CG 4.24Å; M28-N32 VanDerWaalsContact O-CB 3.29Å; M28-N32 WeakPolarHBondContact O-CB 3.36Å; M28-N32 VanDerWaalsContact O-CG 3.26Å; M28-N32 PolarHBondContact O-N 3.05Å; M28-M79 HydrophobicContact CE-SD 4.38Å; M28-Y80 HydrophobicContact CB-CD2 4.14Å
29I90.2Very high88.7Confident53 Ų5356.7 Ų56.727%0.27226%0.259SS..Hα-helixtrans-61.9-53.1178.7-57.9176.7000110.8S25 Y27 S31 N32 I33 Y80S25-I29 VanDerWaalsContact O-CD1 3.23Å; S25-I29 WeakPolarHBondContact O-CD1 3.36Å; Y27-I29 PolarHBondContact O-N 3.45Å; I29-S31 PolarHBondContact O-N 3.29Å; I29-N32 PolarHBondContact O-N 3.4Å; I29-I33 HydrophobicContact CG2-CD1 3.62Å; I29-I33 HydrophobicContact CG2-CG1 4.37Å; I29-I33 WeakPolarHBondContact O-CB 3.31Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.25Å; I29-I33 PolarHBondContact O-N 3.3Å; I29-Y80 HydrophobicContact CD1-CE2 3.8Å; I29-Y80 WeakPolarHBondContact CD1-OH 3.04Å; I29-Y80 HydrophobicContact CG1-CD2 4.14Å; I29-Y80 HydrophobicContact CG1-CE1 4.45Å; I29-Y80 HydrophobicContact CG1-CE2 3.34Å
30T91.3Very high88.7Confident62 Ų6256.7 Ų56.738%0.3826%0.264SS..Hα-helixtrans-63.3-43.3-177.453.50000111.5W26 Y27 I33 I34W26-T30 WeakPolarHBondContact O-CB 3.38Å; W26-T30 WeakPolarHBondContact O-CG2 3.21Å; W26-T30 PolarHBondContact O-N 2.75Å; W26-T30 PolarHBondContact O-OG1 2.9Å; Y27-T30 PolarHBondContact O-N 2.91Å; Y27-T30 PolarHBondContact O-OG1 3.4Å; Y27-T30 VanDerWaalsContact O-OG1 3.07Å; T30-I33 PolarHBondContact O-N 3.47Å; T30-I34 VanDerWaalsContact O-CB 3.23Å; T30-I34 WeakPolarHBondContact O-CB 3.49Å; T30-I34 WeakPolarHBondContact O-CD1 3.48Å; T30-I34 WeakPolarHBondContact O-CG1 3.45Å; T30-I34 PolarHBondContact O-N 3.42Å
31S90.1Very high88.8Confident14 Ų1457.7 Ų57.710%0.09827%0.269CS..Hα-helixtrans-63.4-43.7178.3-165.30000112.1Y27 I29 G35 Q348Y27-S31 WeakPolarHBondContact O-CB 3.15Å; Y27-S31 PolarHBondContact O-N 3.26Å; I29-S31 PolarHBondContact O-N 3.29Å; S31-G35 WeakPolarHBondContact O-CA 3.49Å; S31-G35 PolarHBondContact O-N 2.66Å; S31-Q348 WeakPolarHBondContact OG-CB 3.41Å; S31-Q348 WeakPolarHBondContact OG-CG 3.34Å; S31-Q348 PolarHBondContact OG-OE1 3.09Å
32N90.5Very high88.9Confident3 Ų348.8 Ų48.82%0.01624%0.235CC..Hα-helixtrans-65.1-48.2176.2-75.7-2.6000111.8M28 I29 G35 I36 N77 Q348M28-N32 VanDerWaalsContact O-CB 3.29Å; M28-N32 WeakPolarHBondContact O-CB 3.36Å; M28-N32 VanDerWaalsContact O-CG 3.26Å; M28-N32 PolarHBondContact O-N 3.05Å; I29-N32 PolarHBondContact O-N 3.4Å; N32-G35 PolarHBondContact O-N 2.99Å; N32-I36 WeakPolarHBondContact O-CB 3.46Å; N32-I36 WeakPolarHBondContact O-CD1 3.34Å; N32-I36 WeakPolarHBondContact O-CG1 3.31Å; N32-I36 PolarHBondContact O-N 3.15Å; N32-N77 PolarHBondContact ND2-OD1 3.36Å; N32-Q348 PolarHBondContact OD1-NE2 3.37Å
33I92.4Very high89Confident92 Ų9243.3 Ų43.347%0.47222%0.215SC..Hα-helixtrans-61.7-49-179.5-69.2173.7000110.8I29 T30 I36 I37I29-I33 HydrophobicContact CG2-CD1 3.62Å; I29-I33 HydrophobicContact CG2-CG1 4.37Å; I29-I33 WeakPolarHBondContact O-CB 3.31Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.25Å; I29-I33 PolarHBondContact O-N 3.3Å; T30-I33 PolarHBondContact O-N 3.47Å; I33-I36 PolarHBondContact O-N 2.8Å; I33-I37 HydrophobicContact CG2-CD1 3.73Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.46Å; I33-I37 PolarHBondContact O-N 2.86Å
34I92.8Very high89Confident74 Ų7445.7 Ų45.738%0.37923%0.229SC..Hα-helixtrans-61-49178.1-70.2171.1000109.6T30 I36 I37 F38 W351T30-I34 VanDerWaalsContact O-CB 3.23Å; T30-I34 WeakPolarHBondContact O-CB 3.49Å; T30-I34 WeakPolarHBondContact O-CD1 3.48Å; T30-I34 WeakPolarHBondContact O-CG1 3.45Å; T30-I34 PolarHBondContact O-N 3.42Å; I34-I36 PolarHBondContact O-N 3.13Å; I34-I37 PolarHBondContact O-N 3.49Å; I34-F38 HydrophobicContact CG2-CD2 3.64Å; I34-F38 HydrophobicContact CG2-CE2 3.89Å; I34-F38 VanDerWaalsContact O-CD2 3.28Å; I34-F38 WeakPolarHBondContact O-CD2 3.42Å; I34-F38 PolarHBondContact O-N 3.39Å; I34-W351 HydrophobicContact CG2-CH2 4.42Å; I34-W351 HydrophobicContact CG2-CZ2 3.59Å
35G90.2Very high88.8Confident0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-56.2-46.2178.400000112.6S31 N32 S39 L72S31-G35 WeakPolarHBondContact O-CA 3.49Å; S31-G35 PolarHBondContact O-N 2.66Å; N32-G35 PolarHBondContact O-N 2.99Å; G35-S39 WeakPolarHBondContact O-CB 3.48Å; G35-S39 PolarHBondContact O-N 2.75Å; G35-S39 PolarHBondContact O-OG 2.99Å; G35-L72 VanDerWaalsContact C-CD1 3.5Å
36I91.2Very high88.7Confident31 Ų3144 Ų4416%0.15922%0.216CC..Hα-helixtrans-62-53.9177.7-71.1167.2000110.3N32 I33 I34 F38 S39 S40 F69 L72 L73N32-I36 WeakPolarHBondContact O-CB 3.46Å; N32-I36 WeakPolarHBondContact O-CD1 3.34Å; N32-I36 WeakPolarHBondContact O-CG1 3.31Å; N32-I36 PolarHBondContact O-N 3.15Å; I33-I36 PolarHBondContact O-N 2.8Å; I34-I36 PolarHBondContact O-N 3.13Å; I36-F38 PolarHBondContact O-N 2.98Å; I36-S39 PolarHBondContact O-N 3.43Å; I36-S40 WeakPolarHBondContact O-CB 3.38Å; I36-S40 PolarHBondContact O-N 2.96Å; I36-S40 PolarHBondContact O-OG 3.16Å; I36-F69 HydrophobicContact CG2-CD2 4.21Å; I36-F69 HydrophobicContact CG2-CE2 3.8Å; I36-L72 HydrophobicContact CD1-CB 4.33Å; I36-L72 HydrophobicContact CG1-CB 3.68Å; I36-L72 HydrophobicContact CG1-CD1 4.38Å; I36-L73 HydrophobicContact CD1-CD1 4.49Å
37I91.7Very high88.5Confident90 Ų9041.3 Ų41.346%0.46221%0.213SC..Hα-helixtrans-57.6-51.1-176.8-68.8168.6000110.7I33 I34 S40 L41I33-I37 HydrophobicContact CG2-CD1 3.73Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.46Å; I33-I37 PolarHBondContact O-N 2.86Å; I34-I37 PolarHBondContact O-N 3.49Å; I37-S40 PolarHBondContact O-N 3.44Å; I37-L41 HydrophobicContact CG2-CD1 4.23Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 3.06Å
38F89.8Confident88.2Confident72 Ų7245.3 Ų45.332%0.31623%0.231SC..Hα-helixtrans-74.4-31.7-176.3-74.4-71.7000113.1I34 I36 L41 C42 W351 L355I34-F38 HydrophobicContact CG2-CD2 3.64Å; I34-F38 HydrophobicContact CG2-CE2 3.89Å; I34-F38 VanDerWaalsContact O-CD2 3.28Å; I34-F38 WeakPolarHBondContact O-CD2 3.42Å; I34-F38 PolarHBondContact O-N 3.39Å; I36-F38 PolarHBondContact O-N 2.98Å; F38-L41 HydrophobicContact CD1-CD1 4.05Å; F38-L41 HydrophobicContact CE1-CD1 4.37Å; F38-L41 PolarHBondContact O-N 3.1Å; F38-C42 PolarHBondContact O-N 3.23Å; F38-C42 PolarHBondContact O-SG 3.33Å; F38-W351 HydrophobicContact CB-CB 3.69Å; F38-W351 HydrophobicContact CB-CD2 3.45Å; F38-W351 VanDerWaalsContact CB-CD2 3.45Å; F38-W351 HydrophobicContact CB-CE3 3.63Å; F38-W351 HydrophobicContact CB-CG 3.48Å; F38-W351 VanDerWaalsContact CB-CG 3.48Å; F38-W351 HydrophobicContact CB-CZ3 4.44Å; F38-W351 HydrophobicContact CD1-CE3 4.01Å; F38-W351 HydrophobicContact CD1-CZ3 4.16Å; F38-W351 HydrophobicContact CD2-CD2 4.08Å; F38-W351 HydrophobicContact CD2-CE3 4.04Å; F38-W351 HydrophobicContact CD2-CH2 4.07Å; F38-W351 HydrophobicContact CD2-CZ2 4.12Å; F38-W351 HydrophobicContact CD2-CZ3 4.04Å; F38-W351 HydrophobicContact CE1-CZ3 4.44Å; F38-W351 HydrophobicContact CE2-CH2 4.22Å; F38-W351 HydrophobicContact CE2-CZ3 4.33Å; F38-W351 AromaticContact CG-CD2 3.84Å; F38-W351 HydrophobicContact CG-CD2 3.84Å; F38-W351 AromaticContact CG-CE3 3.63Å; F38-W351 HydrophobicContact CG-CE3 3.63Å; F38-W351 HydrophobicContact CG-CG 4.38Å; F38-W351 HydrophobicContact CG-CH2 4.45Å; F38-W351 AromaticContact CG-CZ3 3.96Å; F38-W351 HydrophobicContact CG-CZ3 3.96Å; F38-L355 HydrophobicContact CD1-CD1 4.35Å
39S87.8Confident87.6Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-67.5-41.6172.4-60.50000111.2G35 I36 L41 C42 F43 T65G35-S39 WeakPolarHBondContact O-CB 3.48Å; G35-S39 PolarHBondContact O-N 2.75Å; G35-S39 PolarHBondContact O-OG 2.99Å; I36-S39 PolarHBondContact O-N 3.43Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 2.58Å; S39-C42 PolarHBondContact O-N 2.8Å; S39-F43 WeakPolarHBondContact O-CB 3.28Å; S39-F43 PolarHBondContact O-N 3.47Å; S39-T65 VanDerWaalsContact O-CG2 3.26Å; S39-T65 WeakPolarHBondContact O-CG2 3.33Å
40S88.3Confident86.7Confident35 Ų3548.4 Ų48.425%0.24525%0.25CS..Hα-helixtrans-59.8-43.6172.3-62.40000111.8I36 I37 C42 F43 L44 F69I36-S40 WeakPolarHBondContact O-CB 3.38Å; I36-S40 PolarHBondContact O-N 2.96Å; I36-S40 PolarHBondContact O-OG 3.16Å; I37-S40 PolarHBondContact O-N 3.44Å; S40-C42 PolarHBondContact O-N 3.01Å; S40-F43 WeakPolarHBondContact O-CB 3.18Å; S40-F43 PolarHBondContact O-N 3.1Å; S40-L44 VanDerWaalsContact O-CG 3.31Å; S40-L44 WeakPolarHBondContact O-CG 3.38Å; S40-L44 PolarHBondContact O-N 3.44Å; S40-F69 VanDerWaalsContact OG-CD2 3.24Å; S40-F69 WeakPolarHBondContact OG-CD2 3.26Å; S40-F69 WeakPolarHBondContact OG-CE2 3.39Å
41L87.3Confident85.7Confident46 Ų4654.9 Ų54.924%0.24127%0.268CS..Hα-helixtrans-60.6-44174.5-73.4172.1000111.8I37 F38 S39 F43 L44 V45I37-L41 HydrophobicContact CG2-CD1 4.23Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 3.06Å; F38-L41 HydrophobicContact CD1-CD1 4.05Å; F38-L41 HydrophobicContact CE1-CD1 4.37Å; F38-L41 PolarHBondContact O-N 3.1Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-L41 PolarHBondContact O-N 2.58Å; L41-F43 VanDerWaalsContact C-N 3.35Å; L41-F43 PolarHBondContact O-N 2.69Å; L41-L44 PolarHBondContact O-N 3.26Å; L41-V45 VanDerWaalsContact O-CG2 3.25Å; L41-V45 WeakPolarHBondContact O-CG2 3.43Å; L41-V45 PolarHBondContact O-N 3.25Å
42C85.1Confident84.3Confident0 Ų054.7 Ų54.70%027%0.266CS..Hα-helixtrans-61.8-42.8176.5-69.40000111.9F38 S39 S40 V45 L46 T65 Y354F38-C42 PolarHBondContact O-N 3.23Å; F38-C42 PolarHBondContact O-SG 3.33Å; S39-C42 PolarHBondContact O-N 2.8Å; S40-C42 PolarHBondContact O-N 3.01Å; C42-V45 PolarHBondContact O-N 3.46Å; C42-L46 WeakPolarHBondContact O-CB 3.3Å; C42-L46 WeakPolarHBondContact O-CG 3.15Å; C42-L46 PolarHBondContact O-N 3.23Å; C42-T65 HydrophobicContact CB-CG2 4.07Å; C42-Y354 HydrophobicContact CB-CD2 4.01Å
43F87Confident83.2Confident62 Ų6256.1 Ų56.127%0.27227%0.272SS..Hα-helixtrans-60.4-48.5176.3-178.7-103.1000111.7S39 S40 L41 V45 L46 L47 I62 T65 A66S39-F43 WeakPolarHBondContact O-CB 3.28Å; S39-F43 PolarHBondContact O-N 3.47Å; S40-F43 WeakPolarHBondContact O-CB 3.18Å; S40-F43 PolarHBondContact O-N 3.1Å; L41-F43 VanDerWaalsContact C-N 3.35Å; L41-F43 PolarHBondContact O-N 2.69Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 2.82Å; F43-L46 WeakPolarHBondContact O-CB 3.3Å; F43-L46 PolarHBondContact O-N 3.22Å; F43-L47 HydrophobicContact CD1-CD1 3.88Å; F43-L47 HydrophobicContact CE1-CD1 3.36Å; F43-L47 HydrophobicContact CE1-CG 4.21Å; F43-L47 HydrophobicContact CZ-CD1 3.74Å; F43-L47 HydrophobicContact CZ-CD2 4.49Å; F43-L47 HydrophobicContact CZ-CG 4.27Å; F43-L47 WeakPolarHBondContact O-CG 3.07Å; F43-L47 PolarHBondContact O-N 3.26Å; F43-I62 HydrophobicContact CD2-CG2 4.38Å; F43-I62 HydrophobicContact CE2-CG2 3.79Å; F43-T65 HydrophobicContact CB-CG2 3.89Å; F43-A66 HydrophobicContact CD2-CB 4.27Å; F43-A66 HydrophobicContact CE2-CB 3.9Å
44L86.6Confident82.2Confident83 Ų8354.5 Ų54.544%0.43527%0.272SS..Hα-helixtrans-60.5-41.2177.5-71.2174.3000112.3S40 L41 L47 K48 M368S40-L44 VanDerWaalsContact O-CG 3.31Å; S40-L44 WeakPolarHBondContact O-CG 3.38Å; S40-L44 PolarHBondContact O-N 3.44Å; L41-L44 PolarHBondContact O-N 3.26Å; L44-L47 PolarHBondContact O-N 2.95Å; L44-K48 WeakPolarHBondContact O-CB 3.29Å; L44-K48 PolarHBondContact O-N 3.35Å; L44-M368 HydrophobicContact CD1-CE 4.47Å
45V82.8Confident81.6Confident3 Ų353.6 Ų53.62%0.01827%0.272CS..Hα-helixtrans-65.8-41.2177.5173.40000111.3L41 C42 F43 L47 K48 H49 F361 H364 I365L41-V45 VanDerWaalsContact O-CG2 3.25Å; L41-V45 WeakPolarHBondContact O-CG2 3.43Å; L41-V45 PolarHBondContact O-N 3.25Å; C42-V45 PolarHBondContact O-N 3.46Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 2.82Å; V45-L47 VanDerWaalsContact C-N 3.34Å; V45-L47 PolarHBondContact O-N 3.04Å; V45-K48 PolarHBondContact O-N 2.86Å; V45-H49 PolarHBondContact O-N 3.16Å; V45-F361 HydrophobicContact CB-CD1 3.99Å; V45-F361 HydrophobicContact CB-CE1 4.11Å; V45-F361 HydrophobicContact CG1-CD1 3.36Å; V45-F361 HydrophobicContact CG1-CE1 3.66Å; V45-F361 HydrophobicContact CG1-CG 4.21Å; V45-H364 HydrophobicContact CG1-CB 4.08Å; V45-I365 HydrophobicContact CG2-CD1 4.42Å; V45-I365 HydrophobicContact CG2-CG1 3.68Å
46L83.2Confident81.2Confident3 Ų354.6 Ų54.62%0.01628%0.279CS..Hα-helixtrans-62.9-38.2176.6-83.1167.9000112.7C42 F43 F53 R58 F61 I62 F361C42-L46 WeakPolarHBondContact O-CB 3.3Å; C42-L46 WeakPolarHBondContact O-CG 3.15Å; C42-L46 PolarHBondContact O-N 3.23Å; F43-L46 WeakPolarHBondContact O-CB 3.3Å; F43-L46 PolarHBondContact O-N 3.22Å; L46-F53 HydrophobicContact CD2-CD2 4.03Å; L46-F53 HydrophobicContact CD2-CE2 4.2Å; L46-R58 HydrophobicContact CD2-CG 4.32Å; L46-F61 HydrophobicContact CD1-CB 4.02Å; L46-F61 HydrophobicContact CD2-CB 4.25Å; L46-I62 HydrophobicContact CB-CD1 4.47Å; L46-I62 HydrophobicContact CB-CG1 3.75Å; L46-I62 HydrophobicContact CD1-CG1 4.26Å; L46-I62 HydrophobicContact CG-CG1 4.42Å; L46-F361 HydrophobicContact CD2-CE1 4.14Å; L46-F361 HydrophobicContact CD2-CZ 3.54Å; L46-F361 HydrophobicContact CG-CE1 3.84Å; L46-F361 HydrophobicContact CG-CZ 3.75Å
47L84.3Confident80.7Confident94 Ų9453.3 Ų53.349%0.49227%0.272SS..Hα-helixtrans-68.9-47.6175.4-71.5179.5000112F43 L44 V45 H49 I62F43-L47 HydrophobicContact CD1-CD1 3.88Å; F43-L47 HydrophobicContact CE1-CD1 3.36Å; F43-L47 HydrophobicContact CE1-CG 4.21Å; F43-L47 HydrophobicContact CZ-CD1 3.74Å; F43-L47 HydrophobicContact CZ-CD2 4.49Å; F43-L47 HydrophobicContact CZ-CG 4.27Å; F43-L47 WeakPolarHBondContact O-CG 3.07Å; F43-L47 PolarHBondContact O-N 3.26Å; L44-L47 PolarHBondContact O-N 2.95Å; V45-L47 VanDerWaalsContact C-N 3.34Å; V45-L47 PolarHBondContact O-N 3.04Å; L47-H49 PolarHBondContact O-N 3.49Å; L47-I62 HydrophobicContact CD2-CD1 4.29Å; L47-I62 HydrophobicContact CD2-CG2 4.49Å
48K82.5Confident80.3Confident135 Ų13551.6 Ų51.659%0.58726%0.26SS*.Hα-helixtrans-71.3-29.9-173.8-170173.1-177.8173.90113.5L44 V45 P50L44-K48 WeakPolarHBondContact O-CB 3.29Å; L44-K48 PolarHBondContact O-N 3.35Å; V45-K48 PolarHBondContact O-N 2.86Å; K48-P50 WeakPolarHBondContact O-CD 3.24Å
49H74.9Confident80.3Confident49 Ų4948.7 Ų48.723%0.22725%0.249CC..  trans-117.281.1-172.7-65.2-62.5000112.6V45 L47 R51 V52 H364V45-H49 PolarHBondContact O-N 3.16Å; L47-H49 PolarHBondContact O-N 3.49Å; H49-R51 PolarHBondContact O-N 3.25Å; H49-V52 HydrophobicContact CB-CG2 3.62Å; H49-V52 WeakPolarHBondContact O-CG2 3.26Å; H49-V52 PolarHBondContact O-N 3.05Å; H49-H364 AromaticContact CD2-CD2 3.95Å; H49-H364 AromaticContact CD2-CE1 3.95Å; H49-H364 AromaticContact CD2-CG 3.45Å; H49-H364 VanDerWaalsContact CD2-CG 3.45Å; H49-H364 AromaticContact CD2-ND1 3.43Å; H49-H364 PolarHBondContact CD2-ND1 3.34Å; H49-H364 AromaticContact CE1-CE1 3.59Å; H49-H364 AromaticContact CE1-ND1 3.3Å; H49-H364 PolarHBondContact CE1-ND1 3.26Å; H49-H364 VanDerWaalsContact CE1-ND1 3.3Å; H49-H364 AromaticContact CG-CD2 3.96Å; H49-H364 AromaticContact CG-CE1 3.68Å; H49-H364 AromaticContact CG-CG 3.85Å; H49-H364 AromaticContact CG-ND1 3.66Å; H49-H364 AromaticContact CG-NE2 3.89Å; H49-H364 AromaticContact ND1-CE1 3.46Å; H49-H364 PolarHBondContact ND1-CE1 3.21Å; H49-H364 AromaticContact ND1-ND1 3.58Å; H49-H364 AromaticContact NE2-CE1 3.88Å; H49-H364 AromaticContact NE2-CG 3.62Å; H49-H364 AromaticContact NE2-ND1 3.18Å; H49-H364 PolarHBondContact NE2-ND1 3.1Å; H49-H364 VanDerWaalsContact NE2-ND1 3.18Å
50P71.7Confident80.3Confident68 Ų6849.2 Ų49.244%0.44225%0.251SS..THydrogen-bonded Turntrans-62.7-18-175.323.6-34.5000114.4K48 R58K48-P50 WeakPolarHBondContact O-CD 3.24Å; P50-R58 PolarHBondContact O-NH1 3.05Å
51R68.7Low80.2Confident199 Ų19947.6 Ų47.675%0.75124%0.24SC*.THydrogen-bonded Turntrans-87.30.5-176.6-61.9-174-178.31791.2114.5H49 R284 R360H49-R51 PolarHBondContact O-N 3.25Å; R51-R284 PolarHBondContact O-NH2 3.47Å; R51-R360 PolarHBondContact O-NH1 3.3Å; R51-R360 VanDerWaalsContact O-NH1 3.1Å
52V61.6Low80.4Confident9 Ų947 Ų476%0.05524%0.236CC..SBendtrans-71.8-36.8-176.4-179.80000112H49 R284 R360 F361H49-V52 HydrophobicContact CB-CG2 3.62Å; H49-V52 WeakPolarHBondContact O-CG2 3.26Å; H49-V52 PolarHBondContact O-N 3.05Å; V52-R284 VanDerWaalsContact C-NH2 3.28Å; V52-R284 PolarHBondContact O-NH2 2.88Å; V52-R360 HydrophobicContact CG1-CB 4.45Å; V52-F361 HydrophobicContact CG1-CD2 3.8Å; V52-F361 HydrophobicContact CG1-CE2 3.38Å; V52-F361 HydrophobicContact CG1-CZ 4.06Å
53F67Low80.7Confident34 Ų3448.4 Ų48.415%0.14925%0.245CC..SBendtrans-131.4166.6177.3-68.5-64.4000112L46 T57 R58 F61 F361L46-F53 HydrophobicContact CD2-CD2 4.03Å; L46-F53 HydrophobicContact CD2-CE2 4.2Å; F53-T57 HydrophobicContact CB-CG2 3.73Å; F53-T57 HydrophobicContact CD1-CG2 3.85Å; F53-T57 HydrophobicContact CD2-CG2 4.44Å; F53-T57 HydrophobicContact CG-CG2 3.78Å; F53-R58 HydrophobicContact CB-CB 4.11Å; F53-F61 AromaticContact CD2-CD2 3.99Å; F53-F61 HydrophobicContact CD2-CD2 3.99Å; F53-F61 HydrophobicContact CD2-CE2 4.49Å; F53-F61 HydrophobicContact CE1-CE2 4.27Å; F53-F61 AromaticContact CE2-CD2 3.83Å; F53-F61 HydrophobicContact CE2-CD2 3.83Å; F53-F61 HydrophobicContact CE2-CE2 4.12Å; F53-F61 HydrophobicContact CE2-CG 4.49Å; F53-F61 HydrophobicContact CG-CD2 4.45Å; F53-F61 HydrophobicContact CZ-CD2 4.22Å; F53-F61 HydrophobicContact CZ-CE2 4.02Å; F53-F361 HydrophobicContact CD2-CE2 4.35Å; F53-F361 AromaticContact CE2-CE2 3.42Å; F53-F361 HydrophobicContact CE2-CE2 3.42Å; F53-F361 VanDerWaalsContact CE2-CE2 3.42Å; F53-F361 AromaticContact CE2-CZ 3.78Å; F53-F361 HydrophobicContact CE2-CZ 3.78Å; F53-F361 AromaticContact CZ-CE2 3.85Å; F53-F361 HydrophobicContact CZ-CE2 3.85Å
54A72.6Confident80.9Confident57 Ų5745.6 Ų45.647%0.47123%0.233SC..  trans-60.4151.3165.300000109.6T56 T57 R58A54-T56 VanDerWaalsContact C-N 3.26Å; A54-T56 PolarHBondContact O-N 2.82Å; A54-T57 PolarHBondContact O-N 3.11Å; A54-R58 WeakPolarHBondContact O-CB 3.33Å; A54-R58 PolarHBondContact O-N 3.11Å
55S79Confident81Confident55 Ų5541.6 Ų41.639%0.38521%0.212SC..Hα-helixtrans-55.3-39.2-173.4-1700000113.1A59S55-A59 PolarHBondContact O-N 3.37Å
56T83.1Confident81.4Confident22 Ų2242.5 Ų42.514%0.13522%0.22CC..Hα-helixtrans-65.3-57.3179.761.90000111.4A54 R58 A59 W60 E126 F141 T146A54-T56 VanDerWaalsContact C-N 3.26Å; A54-T56 PolarHBondContact O-N 2.82Å; T56-R58 VanDerWaalsContact C-N 3.26Å; T56-R58 PolarHBondContact O-N 3.39Å; T56-A59 WeakPolarHBondContact O-CB 3.42Å; T56-A59 PolarHBondContact O-N 3.26Å; T56-A59 VanDerWaalsContact O-N 3.1Å; T56-W60 PolarHBondContact O-N 3.41Å; T56-E126 VanDerWaalsContact CB-OE1 3.28Å; T56-E126 WeakPolarHBondContact CB-OE1 3.48Å; T56-E126 PolarHBondContact OG1-OE1 3.35Å; T56-F141 WeakPolarHBondContact CG2-O 3.35Å; T56-T146 WeakPolarHBondContact CG2-OG1 3.3Å
57T80.7Confident81.9Confident3 Ų342.7 Ų42.72%0.01822%0.221CC..Hα-helixtrans-54.7-41.6175.7-67.50000112.2F53 A54 A59 W60 F61 R127F53-T57 HydrophobicContact CB-CG2 3.73Å; F53-T57 HydrophobicContact CD1-CG2 3.85Å; F53-T57 HydrophobicContact CD2-CG2 4.44Å; F53-T57 HydrophobicContact CG-CG2 3.78Å; A54-T57 PolarHBondContact O-N 3.11Å; T57-A59 VanDerWaalsContact C-N 3.3Å; T57-A59 PolarHBondContact O-N 3.1Å; T57-W60 PolarHBondContact O-N 3.46Å; T57-F61 HydrophobicContact CG2-CD2 3.47Å; T57-F61 VanDerWaalsContact CG2-CD2 3.47Å; T57-F61 HydrophobicContact CG2-CE2 3.43Å; T57-F61 VanDerWaalsContact CG2-CE2 3.43Å; T57-F61 WeakPolarHBondContact O-CD2 3.37Å; T57-F61 PolarHBondContact O-N 3.3Å; T57-R127 PolarHBondContact OG1-NH1 3.34Å; T57-R127 VanDerWaalsContact OG1-NH1 3.15Å; T57-R127 PolarHBondContact OG1-NH2 3.46Å
58R82.9Confident82.2Confident55 Ų5538.2 Ų38.221%0.20820%0.198CC..Hα-helixtrans-63.2-40.8-179.3-166.8-173.974.5-151.79.9110.7L46 P50 F53 A54 T56 F61 I62L46-R58 HydrophobicContact CD2-CG 4.32Å; P50-R58 PolarHBondContact O-NH1 3.05Å; F53-R58 HydrophobicContact CB-CB 4.11Å; A54-R58 WeakPolarHBondContact O-CB 3.33Å; A54-R58 PolarHBondContact O-N 3.11Å; T56-R58 VanDerWaalsContact C-N 3.26Å; T56-R58 PolarHBondContact O-N 3.39Å; R58-F61 PolarHBondContact O-N 2.93Å; R58-I62 HydrophobicContact CG-CD1 3.8Å; R58-I62 HydrophobicContact CG-CG1 4.32Å; R58-I62 WeakPolarHBondContact O-CB 3.26Å; R58-I62 VanDerWaalsContact O-CG1 3.26Å; R58-I62 WeakPolarHBondContact O-CG1 3.39Å; R58-I62 PolarHBondContact O-N 3.22Å
59A88.2Confident82.6Confident11 Ų1134.3 Ų34.39%0.09118%0.181CC..Hα-helixtrans-59.7-48.6176.900000110.7S55 T56 T57 F61 I62 T63 T146 R147 I150S55-A59 PolarHBondContact O-N 3.37Å; T56-A59 WeakPolarHBondContact O-CB 3.42Å; T56-A59 PolarHBondContact O-N 3.26Å; T56-A59 VanDerWaalsContact O-N 3.1Å; T57-A59 VanDerWaalsContact C-N 3.3Å; T57-A59 PolarHBondContact O-N 3.1Å; A59-F61 PolarHBondContact O-N 3.48Å; A59-I62 PolarHBondContact O-N 3.37Å; A59-T63 PolarHBondContact O-N 3.2Å; A59-T63 PolarHBondContact O-OG1 2.88Å; A59-T146 HydrophobicContact CB-CG2 4.41Å; A59-R147 HydrophobicContact CB-CG 4.23Å; A59-I150 HydrophobicContact CB-CD1 3.9Å
60W89.4Confident83.4Confident10 Ų1036.6 Ų36.64%0.03819%0.19CC..Hα-helixtrans-56.9-49.6175.5-72.5111.1000113T56 T57 I62 T63 L64 L119 L123 E126 T146 T149 I150 L153T56-W60 PolarHBondContact O-N 3.41Å; T57-W60 PolarHBondContact O-N 3.46Å; W60-I62 PolarHBondContact O-N 3.02Å; W60-T63 PolarHBondContact O-N 3.48Å; W60-L64 WeakPolarHBondContact O-CB 3.43Å; W60-L64 PolarHBondContact O-N 3.02Å; W60-L119 HydrophobicContact CE3-CD2 4.17Å; W60-L119 HydrophobicContact CZ3-CD2 3.81Å; W60-L119 WeakPolarHBondContact CZ3-O 3.22Å; W60-L123 HydrophobicContact CB-CB 4.34Å; W60-L123 HydrophobicContact CB-CD1 3.65Å; W60-L123 HydrophobicContact CB-CG 4.35Å; W60-L123 HydrophobicContact CD2-CB 4.13Å; W60-L123 HydrophobicContact CE3-CB 4.07Å; W60-L123 HydrophobicContact CG-CB 4.26Å; W60-L123 HydrophobicContact CG-CD1 3.84Å; W60-E126 VanDerWaalsContact CD1-OE2 3.27Å; W60-T146 HydrophobicContact CG-CG2 4.42Å; W60-T146 HydrophobicContact CZ2-CG2 4.44Å; W60-T149 HydrophobicContact CH2-CG2 4.5Å; W60-I150 HydrophobicContact CD2-CD1 3.79Å; W60-I150 HydrophobicContact CD2-CG1 3.91Å; W60-I150 HydrophobicContact CE3-CD1 4Å; W60-I150 HydrophobicContact CE3-CG1 3.74Å; W60-I150 HydrophobicContact CG-CD1 4.06Å; W60-I150 HydrophobicContact CH2-CG1 3.9Å; W60-I150 HydrophobicContact CZ2-CG1 4.08Å; W60-I150 HydrophobicContact CZ3-CD1 4.48Å; W60-I150 HydrophobicContact CZ3-CG1 3.74Å; W60-L153 HydrophobicContact CH2-CD1 3.78Å; W60-L153 HydrophobicContact CZ3-CD1 4.06Å
61F86.6Confident84.4Confident2 Ų233.4 Ų33.41%0.00917%0.169CC..Hα-helixtrans-65.5-37.5180-80.3-61000113.1L46 F53 T57 R58 A59 T65 L123 L291 M295 Y354L46-F61 HydrophobicContact CD1-CB 4.02Å; L46-F61 HydrophobicContact CD2-CB 4.25Å; F53-F61 AromaticContact CD2-CD2 3.99Å; F53-F61 HydrophobicContact CD2-CD2 3.99Å; F53-F61 HydrophobicContact CD2-CE2 4.49Å; F53-F61 HydrophobicContact CE1-CE2 4.27Å; F53-F61 AromaticContact CE2-CD2 3.83Å; F53-F61 HydrophobicContact CE2-CD2 3.83Å; F53-F61 HydrophobicContact CE2-CE2 4.12Å; F53-F61 HydrophobicContact CE2-CG 4.49Å; F53-F61 HydrophobicContact CG-CD2 4.45Å; F53-F61 HydrophobicContact CZ-CD2 4.22Å; F53-F61 HydrophobicContact CZ-CE2 4.02Å; T57-F61 HydrophobicContact CG2-CD2 3.47Å; T57-F61 VanDerWaalsContact CG2-CD2 3.47Å; T57-F61 HydrophobicContact CG2-CE2 3.43Å; T57-F61 VanDerWaalsContact CG2-CE2 3.43Å; T57-F61 WeakPolarHBondContact O-CD2 3.37Å; T57-F61 PolarHBondContact O-N 3.3Å; R58-F61 PolarHBondContact O-N 2.93Å; A59-F61 PolarHBondContact O-N 3.48Å; F61-T65 WeakPolarHBondContact O-CB 3.4Å; F61-T65 PolarHBondContact O-N 2.98Å; F61-T65 PolarHBondContact O-OG1 2.88Å; F61-L123 HydrophobicContact CE1-CD2 4.2Å; F61-L123 HydrophobicContact CZ-CD2 4.41Å; F61-L291 HydrophobicContact CE1-CD2 3.77Å; F61-L291 HydrophobicContact CE1-CG 4.49Å; F61-L291 HydrophobicContact CE2-CD2 4.38Å; F61-L291 HydrophobicContact CZ-CD2 3.5Å; F61-L291 HydrophobicContact CZ-CG 4.36Å; F61-M295 HydrophobicContact CE1-SD 4.17Å; F61-Y354 HydrophobicContact CD1-CD1 4.4Å; F61-Y354 AromaticContact CD1-CE1 3.86Å; F61-Y354 HydrophobicContact CD1-CE1 3.86Å; F61-Y354 HydrophobicContact CE1-CD1 4.48Å; F61-Y354 HydrophobicContact CE1-CE1 4.06Å
62I89.6Confident85.5Confident32 Ų3223.9 Ų23.916%0.16413%0.134CC..Hα-helixtrans-61.3-48.7175.6-74.1168.6000109.6F43 L46 L47 R58 A59 W60 T65 A66F43-I62 HydrophobicContact CD2-CG2 4.38Å; F43-I62 HydrophobicContact CE2-CG2 3.79Å; L46-I62 HydrophobicContact CB-CD1 4.47Å; L46-I62 HydrophobicContact CB-CG1 3.75Å; L46-I62 HydrophobicContact CD1-CG1 4.26Å; L46-I62 HydrophobicContact CG-CG1 4.42Å; L47-I62 HydrophobicContact CD2-CD1 4.29Å; L47-I62 HydrophobicContact CD2-CG2 4.49Å; R58-I62 HydrophobicContact CG-CD1 3.8Å; R58-I62 HydrophobicContact CG-CG1 4.32Å; R58-I62 WeakPolarHBondContact O-CB 3.26Å; R58-I62 VanDerWaalsContact O-CG1 3.26Å; R58-I62 WeakPolarHBondContact O-CG1 3.39Å; R58-I62 PolarHBondContact O-N 3.22Å; A59-I62 PolarHBondContact O-N 3.37Å; W60-I62 PolarHBondContact O-N 3.02Å; I62-T65 PolarHBondContact O-N 3.39Å; I62-A66 WeakPolarHBondContact O-CB 3.43Å; I62-A66 PolarHBondContact O-N 3.39Å
63T92.4Very high87Confident30 Ų3027.1 Ų27.118%0.18415%0.15CC..Hα-helixtrans-67.5-40.5-178.8-510000111.8A59 W60 A66 S67 L119 I150 I154A59-T63 PolarHBondContact O-N 3.2Å; A59-T63 PolarHBondContact O-OG1 2.88Å; W60-T63 PolarHBondContact O-N 3.48Å; T63-A66 PolarHBondContact O-N 3.34Å; T63-S67 WeakPolarHBondContact O-CB 3.28Å; T63-S67 PolarHBondContact O-N 3.34Å; T63-L119 HydrophobicContact CG2-CD1 3.52Å; T63-L119 HydrophobicContact CG2-CD2 4Å; T63-L119 HydrophobicContact CG2-CG 4.44Å; T63-I150 HydrophobicContact CG2-CG2 3.66Å; T63-I154 HydrophobicContact CG2-CD1 3.82Å
64L90.4Very high88.2Confident3 Ų328.8 Ų28.82%0.01616%0.16CC..Hα-helixtrans-62.5-47.5175.8-154.394.2000110.9W60 A66 S67 D68 L119 Q120 M295 Y354W60-L64 WeakPolarHBondContact O-CB 3.43Å; W60-L64 PolarHBondContact O-N 3.02Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 3.2Å; L64-S67 WeakPolarHBondContact O-CB 3.39Å; L64-S67 PolarHBondContact O-N 3.29Å; L64-S67 VanDerWaalsContact O-N 3.11Å; L64-D68 VanDerWaalsContact O-CG 3.25Å; L64-D68 PolarHBondContact O-N 2.9Å; L64-L119 HydrophobicContact CD1-CB 3.87Å; L64-Q120 HydrophobicContact CD1-CB 4.17Å; L64-M295 HydrophobicContact CD2-CE 3.34Å; L64-Y354 VanDerWaalsContact CD2-OH 3.25Å; L64-Y354 WeakPolarHBondContact CD2-OH 3.31Å
65T89.5Confident89Confident0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-63.2-36.4178.2-46.20000111.7S39 C42 F43 F61 I62 F69 Y354S39-T65 VanDerWaalsContact O-CG2 3.26Å; S39-T65 WeakPolarHBondContact O-CG2 3.33Å; C42-T65 HydrophobicContact CB-CG2 4.07Å; F43-T65 HydrophobicContact CB-CG2 3.89Å; F61-T65 WeakPolarHBondContact O-CB 3.4Å; F61-T65 PolarHBondContact O-N 2.98Å; F61-T65 PolarHBondContact O-OG1 2.88Å; I62-T65 PolarHBondContact O-N 3.39Å; T65-F69 WeakPolarHBondContact O-CB 3.34Å; T65-F69 PolarHBondContact O-N 3.28Å; T65-Y354 HydrophobicContact CG2-CE2 4.27Å
66A92.2Very high89.5Confident22 Ų2223.4 Ų23.418%0.18212%0.119CC..Hα-helixtrans-66.2-42.1173.800000111.6F43 I62 T63 L64 F69 F70F43-A66 HydrophobicContact CD2-CB 4.27Å; F43-A66 HydrophobicContact CE2-CB 3.9Å; I62-A66 WeakPolarHBondContact O-CB 3.43Å; I62-A66 PolarHBondContact O-N 3.39Å; T63-A66 PolarHBondContact O-N 3.34Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 3.2Å; A66-F69 WeakPolarHBondContact O-CB 3.41Å; A66-F69 PolarHBondContact O-N 3.21Å; A66-F70 WeakPolarHBondContact O-CD2 3.48Å; A66-F70 PolarHBondContact O-N 3.24Å
67S92.5Very high89.8Confident6 Ų625 Ų254%0.04213%0.126CC..Hα-helixtrans-62.1-46.5175.1-165.40000111.4T63 L64 F69 F70 I71T63-S67 WeakPolarHBondContact O-CB 3.28Å; T63-S67 PolarHBondContact O-N 3.34Å; L64-S67 WeakPolarHBondContact O-CB 3.39Å; L64-S67 PolarHBondContact O-N 3.29Å; L64-S67 VanDerWaalsContact O-N 3.11Å; S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.32Å; S67-F70 PolarHBondContact O-N 2.83Å; S67-I71 WeakPolarHBondContact O-CB 3.36Å; S67-I71 VanDerWaalsContact O-CG1 3.29Å; S67-I71 WeakPolarHBondContact O-CG1 3.47Å; S67-I71 PolarHBondContact O-N 3.32Å
68D90Very high90.2Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-55.8-47.2175.2-66.4-12.2000110L64 I71 L72 N347 N350 Y354L64-D68 VanDerWaalsContact O-CG 3.25Å; L64-D68 PolarHBondContact O-N 2.9Å; D68-I71 PolarHBondContact O-N 3.34Å; D68-L72 WeakPolarHBondContact O-CB 3.39Å; D68-L72 VanDerWaalsContact O-CG 3.25Å; D68-L72 WeakPolarHBondContact O-CG 3.46Å; D68-L72 PolarHBondContact O-N 2.7Å; D68-N347 HydrophobicContact CB-CB 4.43Å; D68-N347 PolarHBondContact OD1-OD1 3.37Å; D68-N347 VanDerWaalsContact OD1-OD1 3.13Å; D68-N350 PolarHBondContact OD2-ND2 3.5Å; D68-Y354 PolarHBondContact OD2-OH 3.26Å
69F91.2Very high90.3Very high53 Ų5323.1 Ų23.123%0.23212%0.121CC..Hα-helixtrans-59.6-48.8177.4174.6-95.8000112.6I36 S40 T65 A66 S67 L72 L73I36-F69 HydrophobicContact CG2-CD2 4.21Å; I36-F69 HydrophobicContact CG2-CE2 3.8Å; S40-F69 VanDerWaalsContact OG-CD2 3.24Å; S40-F69 WeakPolarHBondContact OG-CD2 3.26Å; S40-F69 WeakPolarHBondContact OG-CE2 3.39Å; T65-F69 WeakPolarHBondContact O-CB 3.34Å; T65-F69 PolarHBondContact O-N 3.28Å; A66-F69 WeakPolarHBondContact O-CB 3.41Å; A66-F69 PolarHBondContact O-N 3.21Å; S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.32Å; F69-L72 PolarHBondContact O-N 3.26Å; F69-L73 HydrophobicContact CE1-CD2 3.88Å; F69-L73 HydrophobicContact CZ-CD2 4.03Å; F69-L73 VanDerWaalsContact O-CB 3.23Å; F69-L73 WeakPolarHBondContact O-CB 3.31Å; F69-L73 PolarHBondContact O-N 2.99Å
70F92.9Very high90.3Very high98 Ų9824.4 Ų24.443%0.4312%0.123SC..Hα-helixtrans-67.7-36.1179.1-76.1-63.7000112.8A66 S67 L73 I74 L112A66-F70 WeakPolarHBondContact O-CD2 3.48Å; A66-F70 PolarHBondContact O-N 3.24Å; S67-F70 PolarHBondContact O-N 2.83Å; F70-L73 PolarHBondContact O-N 3.39Å; F70-I74 HydrophobicContact CD1-CD1 4.24Å; F70-I74 WeakPolarHBondContact O-CB 3.46Å; F70-I74 PolarHBondContact O-N 3.43Å; F70-L112 HydrophobicContact CB-CD2 3.76Å
71I92Very high90.2Very high0 Ų024.5 Ų24.50%013%0.126CC..Iπ-helixtrans-62-46.9173.9-74.7167.2000110.6S67 D68 A75 A76 L112 S116 Y344 N347S67-I71 WeakPolarHBondContact O-CB 3.36Å; S67-I71 VanDerWaalsContact O-CG1 3.29Å; S67-I71 WeakPolarHBondContact O-CG1 3.47Å; S67-I71 PolarHBondContact O-N 3.32Å; D68-I71 PolarHBondContact O-N 3.34Å; I71-A75 HydrophobicContact CG2-CB 4.41Å; I71-A75 WeakPolarHBondContact O-CA 3.26Å; I71-A75 PolarHBondContact O-N 3.42Å; I71-A76 PolarHBondContact O-N 3.05Å; I71-L112 HydrophobicContact CG1-CB 3.84Å; I71-S116 VanDerWaalsContact CD1-CB 3.44Å; I71-Y344 HydrophobicContact CG2-CD1 3.51Å; I71-Y344 HydrophobicContact CG2-CE1 3.72Å; I71-N347 HydrophobicContact CG2-CB 4.33Å; I71-N347 WeakPolarHBondContact CG2-ND2 3.22Å
72L92.5Very high90Very high0 Ų026 Ų260%013%0.133CC..Iπ-helixtrans-67.2-39.3179-67.1176.2000112G35 I36 D68 F69 A76 N77 N347 Q348G35-L72 VanDerWaalsContact C-CD1 3.5Å; I36-L72 HydrophobicContact CD1-CB 4.33Å; I36-L72 HydrophobicContact CG1-CB 3.68Å; I36-L72 HydrophobicContact CG1-CD1 4.38Å; D68-L72 WeakPolarHBondContact O-CB 3.39Å; D68-L72 VanDerWaalsContact O-CG 3.25Å; D68-L72 WeakPolarHBondContact O-CG 3.46Å; D68-L72 PolarHBondContact O-N 2.7Å; F69-L72 PolarHBondContact O-N 3.26Å; L72-A76 HydrophobicContact CD2-CB 4.37Å; L72-N77 PolarHBondContact O-ND2 3.42Å; L72-N347 HydrophobicContact CD2-CB 4.14Å; L72-N347 HydrophobicContact CG-CB 4.26Å; L72-Q348 HydrophobicContact CD2-CB 4.33Å; L72-Q348 HydrophobicContact CD2-CG 3.45Å; L72-Q348 VanDerWaalsContact CD2-CG 3.45Å
73L92.3Very high89.7Confident76 Ų7625.3 Ų25.340%0.39813%0.13SC..Iπ-helixtrans-71-38.8-178.6-175.466.4000112.6I36 F69 F70 N77I36-L73 HydrophobicContact CD1-CD1 4.49Å; F69-L73 HydrophobicContact CE1-CD2 3.88Å; F69-L73 HydrophobicContact CZ-CD2 4.03Å; F69-L73 VanDerWaalsContact O-CB 3.23Å; F69-L73 WeakPolarHBondContact O-CB 3.31Å; F69-L73 PolarHBondContact O-N 2.99Å; F70-L73 PolarHBondContact O-N 3.39Å; L73-N77 WeakPolarHBondContact O-CB 3.16Å; L73-N77 PolarHBondContact O-ND2 3.44Å
74I92Very high89.4Confident69 Ų6926.1 Ų26.135%0.35413%0.133SC..Iπ-helixtrans-105.6-69-172.8-56.6173.2000110.2F70 N77 D78 T108 L112F70-I74 HydrophobicContact CD1-CD1 4.24Å; F70-I74 WeakPolarHBondContact O-CB 3.46Å; F70-I74 PolarHBondContact O-N 3.43Å; I74-N77 PolarHBondContact O-N 2.89Å; I74-D78 WeakPolarHBondContact O-CB 3.23Å; I74-D78 PolarHBondContact O-N 3.09Å; I74-T108 HydrophobicContact CG2-CG2 3.77Å; I74-L112 HydrophobicContact CB-CD1 4.01Å; I74-L112 HydrophobicContact CD1-CD1 4.29Å; I74-L112 HydrophobicContact CG2-CD1 4.26Å
75A89.7Confident89Confident0 Ų031.4 Ų31.40%016%0.156CC..Iπ-helixtrans-68.5-43.2-16900000113.6I71 D78 M79 I109 L112 Y344I71-A75 HydrophobicContact CG2-CB 4.41Å; I71-A75 WeakPolarHBondContact O-CA 3.26Å; I71-A75 PolarHBondContact O-N 3.42Å; A75-D78 PolarHBondContact O-N 3.01Å; A75-M79 PolarHBondContact O-N 3.41Å; A75-I109 HydrophobicContact CB-CG1 4.28Å; A75-L112 HydrophobicContact CB-CD1 4.47Å; A75-Y344 HydrophobicContact CB-CE1 3.77Å
76A88.7Confident88.4Confident0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-70.7-33.5178.600000112.2I71 L72 Y80 Y344I71-A76 PolarHBondContact O-N 3.05Å; L72-A76 HydrophobicContact CD2-CB 4.37Å; A76-Y80 WeakPolarHBondContact O-CB 3.31Å; A76-Y80 PolarHBondContact O-N 3.17Å; A76-Y80 VanDerWaalsContact O-N 3.11Å; A76-Y344 HydrophobicContact CB-CD1 4.05Å; A76-Y344 HydrophobicContact CB-CD2 4.35Å; A76-Y344 HydrophobicContact CB-CE1 4.44Å; A76-Y344 HydrophobicContact CB-CG 3.99Å
77N90Very high87.6Confident54 Ų5436.8 Ų36.829%0.28918%0.18SC..Hα-helixtrans-75.4-33.7174.2-75.6-28.8000112.3N32 L72 L73 I74 Y80 A81N32-N77 PolarHBondContact ND2-OD1 3.36Å; L72-N77 PolarHBondContact O-ND2 3.42Å; L73-N77 WeakPolarHBondContact O-CB 3.16Å; L73-N77 PolarHBondContact O-ND2 3.44Å; I74-N77 PolarHBondContact O-N 2.89Å; N77-Y80 PolarHBondContact O-N 3.4Å; N77-A81 VanDerWaalsContact O-CB 3.26Å; N77-A81 WeakPolarHBondContact O-CB 3.39Å; N77-A81 PolarHBondContact O-N 2.86Å
78D88.6Confident87.1Confident10 Ų1042.7 Ų42.75%0.05321%0.208CC..Hα-helixtrans-60.9-48172.9176.285.5000110.4I74 A75 Y80 A81 E82 Y89 R105 I109I74-D78 WeakPolarHBondContact O-CB 3.23Å; I74-D78 PolarHBondContact O-N 3.09Å; A75-D78 PolarHBondContact O-N 3.01Å; D78-Y80 PolarHBondContact O-N 2.98Å; D78-A81 PolarHBondContact O-N 2.97Å; D78-E82 VanDerWaalsContact O-CB 3.31Å; D78-E82 WeakPolarHBondContact O-CB 3.47Å; D78-E82 PolarHBondContact O-N 3.34Å; D78-Y89 WeakPolarHBondContact OD1-CE1 3.06Å; D78-Y89 PolarHBondContact OD1-OH 2.93Å; D78-R105 IonicContact OD1-CZ 2.83Å; D78-R105 VanDerWaalsContact OD1-CZ 3.32Å; D78-R105 IonicContact OD1-NE 3.8Å; D78-R105 PolarHBondContact OD1-NE 3.36Å; D78-R105 IonicContact OD1-NH2 3.16Å; D78-R105 PolarHBondContact OD1-NH2 2.9Å; D78-R105 IonicContact OD2-CZ 2.58Å; D78-R105 IonicContact OD2-NE 3.61Å; D78-R105 IonicContact OD2-NH2 3.13Å; D78-R105 PolarHBondContact OD2-NH2 3.07Å; D78-I109 WeakPolarHBondContact OD2-CD1 3.5Å
79M86.5Confident86.8Confident10 Ų1045 Ų455%0.04922%0.218CC..Hα-helixtrans-59.8-43.8173.3177.9-174.4165.600112.3F24 M28 A75 E82 V83 Q337 N340 Y344F24-M79 HydrophobicContact CE1-CE 3.99Å; F24-M79 HydrophobicContact CE1-CG 4.43Å; F24-M79 HydrophobicContact CZ-CE 3.52Å; M28-M79 HydrophobicContact CE-SD 4.38Å; A75-M79 PolarHBondContact O-N 3.41Å; M79-E82 PolarHBondContact O-N 2.94Å; M79-V83 WeakPolarHBondContact O-CG2 3.45Å; M79-V83 PolarHBondContact O-N 3.06Å; M79-Q337 WeakPolarHBondContact CE-O 3.36Å; M79-N340 HydrophobicContact CE-CB 3.75Å; M79-N340 HydrophobicContact SD-CB 3.9Å; M79-Y344 HydrophobicContact CB-CE2 4.33Å; M79-Y344 HydrophobicContact SD-CD2 3.88Å; M79-Y344 HydrophobicContact SD-CE2 3.52Å; M79-Y344 VanDerWaalsContact SD-CE2 3.52Å
80Y88.4Confident86.3Confident37 Ų3742.8 Ų42.815%0.14521%0.208CC..Hα-helixtrans-62.7-45.8177.4170.6-94.2000111.8F24 M28 I29 A76 N77 D78 E82 V83 I84 F85F24-Y80 HydrophobicContact CD1-CD2 4.05Å; F24-Y80 WeakPolarHBondContact O-CE2 3.4Å; M28-Y80 HydrophobicContact CB-CD2 4.14Å; I29-Y80 HydrophobicContact CD1-CE2 3.8Å; I29-Y80 WeakPolarHBondContact CD1-OH 3.04Å; I29-Y80 HydrophobicContact CG1-CD2 4.14Å; I29-Y80 HydrophobicContact CG1-CE1 4.45Å; I29-Y80 HydrophobicContact CG1-CE2 3.34Å; A76-Y80 WeakPolarHBondContact O-CB 3.31Å; A76-Y80 PolarHBondContact O-N 3.17Å; A76-Y80 VanDerWaalsContact O-N 3.11Å; N77-Y80 PolarHBondContact O-N 3.4Å; D78-Y80 PolarHBondContact O-N 2.98Å; Y80-E82 VanDerWaalsContact C-N 3.34Å; Y80-V83 PolarHBondContact O-N 3.45Å; Y80-I84 HydrophobicContact CD2-CG1 4.1Å; Y80-I84 HydrophobicContact CE1-CB 4.45Å; Y80-I84 HydrophobicContact CE1-CG1 4.42Å; Y80-I84 HydrophobicContact CE2-CB 4.43Å; Y80-I84 HydrophobicContact CE2-CG1 3.57Å; Y80-I84 PolarHBondContact O-N 2.99Å; Y80-F85 HydrophobicContact CE1-CD2 4.41Å; Y80-F85 AromaticContact CE1-CE2 4Å; Y80-F85 HydrophobicContact CE1-CE2 4Å
81A86.7Confident85.7Confident13 Ų1339.6 Ų39.611%0.10720%0.195CC..Hα-helixtrans-66.9-35.8179.600000112N77 D78 V83 F85 T86 Y89N77-A81 VanDerWaalsContact O-CB 3.26Å; N77-A81 WeakPolarHBondContact O-CB 3.39Å; N77-A81 PolarHBondContact O-N 2.86Å; D78-A81 PolarHBondContact O-N 2.97Å; A81-V83 VanDerWaalsContact C-N 3.27Å; A81-V83 PolarHBondContact O-N 3.11Å; A81-F85 CarbonylContact O-C 3.58Å; A81-F85 VanDerWaalsContact O-CA 3.31Å; A81-F85 WeakPolarHBondContact O-CA 3.37Å; A81-F85 PolarHBondContact O-N 3.43Å; A81-T86 PolarHBondContact O-N 2.85Å; A81-Y89 HydrophobicContact CB-CD1 3.91Å; A81-Y89 HydrophobicContact CB-CD2 3.56Å; A81-Y89 HydrophobicContact CB-CE1 4.08Å; A81-Y89 HydrophobicContact CB-CE2 3.76Å; A81-Y89 HydrophobicContact CB-CG 3.64Å
82E82.6Confident85.3Confident33 Ų3344.2 Ų44.215%0.15422%0.219CC..Hα-helixtrans-64.1-29.7173.7-176.6169.5-178.200112.5M1 D78 M79 Y80 T86 R105M1-E82 WeakPolarHBondContact CE-OE1 3.33Å; M1-E82 HydrophobicContact SD-CG 4.08Å; D78-E82 VanDerWaalsContact O-CB 3.31Å; D78-E82 WeakPolarHBondContact O-CB 3.47Å; D78-E82 PolarHBondContact O-N 3.34Å; M79-E82 PolarHBondContact O-N 2.94Å; Y80-E82 VanDerWaalsContact C-N 3.34Å; E82-T86 WeakPolarHBondContact O-CG2 3.17Å; E82-R105 IonicContact OE2-CZ 3.94Å; E82-R105 IonicContact OE2-NH1 2.78Å; E82-R105 IonicContact OE2-NH2 3.74Å; E82-R105 PolarHBondContact OE2-NH2 3.4Å
83V83.8Confident84.9Confident17 Ų1745.2 Ų45.210%0.10322%0.224CC..Hα-helixtrans-87.4-42.1178.1174.20000112.4I20 F24 M79 Y80 A81 W333I20-V83 HydrophobicContact CD1-CG1 4.32Å; I20-V83 HydrophobicContact CG1-CG1 3.9Å; I20-V83 HydrophobicContact CG2-CG1 4.25Å; F24-V83 HydrophobicContact CB-CG1 4.47Å; F24-V83 HydrophobicContact CD1-CB 3.87Å; F24-V83 HydrophobicContact CD1-CG1 3.89Å; F24-V83 HydrophobicContact CD1-CG2 4.3Å; F24-V83 HydrophobicContact CD2-CG1 3.96Å; F24-V83 HydrophobicContact CE1-CB 3.74Å; F24-V83 HydrophobicContact CE1-CG1 4.04Å; F24-V83 HydrophobicContact CE1-CG2 3.65Å; F24-V83 HydrophobicContact CE2-CG1 4.09Å; F24-V83 HydrophobicContact CE2-CG2 4.32Å; F24-V83 HydrophobicContact CG-CB 4.35Å; F24-V83 HydrophobicContact CG-CG1 3.84Å; F24-V83 HydrophobicContact CZ-CB 4.1Å; F24-V83 HydrophobicContact CZ-CG1 4.13Å; F24-V83 HydrophobicContact CZ-CG2 3.65Å; M79-V83 WeakPolarHBondContact O-CG2 3.45Å; M79-V83 PolarHBondContact O-N 3.06Å; Y80-V83 PolarHBondContact O-N 3.45Å; A81-V83 VanDerWaalsContact C-N 3.27Å; A81-V83 PolarHBondContact O-N 3.11Å; V83-W333 HydrophobicContact CG1-CH2 4.21Å; V83-W333 HydrophobicContact CG2-CZ2 4.4Å
84I85.4Confident84.3Confident48 Ų4841.7 Ų41.725%0.24621%0.206CC..Hα-helixtrans-91.2-37.4-173-62.9-63000113I20 F24 Y80I20-I84 HydrophobicContact CG2-CD1 3.58Å; F24-I84 HydrophobicContact CB-CD1 3.87Å; F24-I84 HydrophobicContact CB-CG1 4.23Å; Y80-I84 HydrophobicContact CD2-CG1 4.1Å; Y80-I84 HydrophobicContact CE1-CB 4.45Å; Y80-I84 HydrophobicContact CE1-CG1 4.42Å; Y80-I84 HydrophobicContact CE2-CB 4.43Å; Y80-I84 HydrophobicContact CE2-CG1 3.57Å; Y80-I84 PolarHBondContact O-N 2.99Å
85F82.8Confident83.8Confident114 Ų11443.2 Ų43.250%0.522%0.215SC..SBendtrans-123.835.9-170.8-59.3-65.8000112.6Y80 A81 H87 M88 Y89Y80-F85 HydrophobicContact CE1-CD2 4.41Å; Y80-F85 AromaticContact CE1-CE2 4Å; Y80-F85 HydrophobicContact CE1-CE2 4Å; A81-F85 CarbonylContact O-C 3.58Å; A81-F85 VanDerWaalsContact O-CA 3.31Å; A81-F85 WeakPolarHBondContact O-CA 3.37Å; A81-F85 PolarHBondContact O-N 3.43Å; F85-H87 PolarHBondContact O-N 3.28Å; F85-M88 PolarHBondContact O-N 2.89Å; F85-Y89 WeakPolarHBondContact O-CB 3.17Å; F85-Y89 PolarHBondContact O-N 2.66Å
86T75.6Confident83.6Confident33 Ų3348.6 Ų48.620%0.20224%0.242CC..Hα-helixtrans-34.2-66.4-176.950.60000113M1 A81 E82 H90M1-T86 HydrophobicContact CB-CG2 4.4Å; A81-T86 PolarHBondContact O-N 2.85Å; E82-T86 WeakPolarHBondContact O-CG2 3.17Å; T86-H90 WeakPolarHBondContact O-CB 3.5Å; T86-H90 PolarHBondContact O-CD2 2.86Å; T86-H90 PolarHBondContact O-N 3.33Å; T86-H90 VanDerWaalsContact O-N 3.11Å
87H75.8Confident83.5Confident101 Ų10152.4 Ų52.447%0.46826%0.259SS..Hα-helixtrans-64.3-51.9-172.1-63.3-74.8000112.5F85 Y89 H90 I91 Y201F85-H87 PolarHBondContact O-N 3.28Å; H87-Y89 PolarHBondContact O-N 2.85Å; H87-H90 PolarHBondContact O-N 3.45Å; H87-I91 WeakPolarHBondContact O-CD1 3.47Å; H87-I91 WeakPolarHBondContact O-CG1 3.31Å; H87-I91 PolarHBondContact O-N 3.32Å; H87-Y201 HydrophobicContact CB-CE1 4.06Å; H87-Y201 AromaticContact ND1-CD1 3.67Å; H87-Y201 AromaticContact ND1-CE1 3.73Å
88M82.1Confident83Confident131 Ų13151.1 Ų51.165%0.64526%0.258SS*.Hα-helixtrans-66.5-40.4-176.7-71.6-63.9-174.800112.1F85 I91 I92F85-M88 PolarHBondContact O-N 2.89Å; M88-I91 PolarHBondContact O-N 2.87Å; M88-I91 HydrophobicContact SD-CD1 4.5Å; M88-I92 WeakPolarHBondContact O-CD1 3.24Å; M88-I92 VanDerWaalsContact O-CG1 3.23Å; M88-I92 WeakPolarHBondContact O-CG1 3.28Å; M88-I92 PolarHBondContact O-N 2.91Å
89Y84Confident82.6Confident49 Ų4956.4 Ų56.419%0.19228%0.277CS..Hα-helixtrans-61.7-47.7178.9-178.1-119.1000111.4D78 A81 F85 H87 I92 L93D78-Y89 WeakPolarHBondContact OD1-CE1 3.06Å; D78-Y89 PolarHBondContact OD1-OH 2.93Å; A81-Y89 HydrophobicContact CB-CD1 3.91Å; A81-Y89 HydrophobicContact CB-CD2 3.56Å; A81-Y89 HydrophobicContact CB-CE1 4.08Å; A81-Y89 HydrophobicContact CB-CE2 3.76Å; A81-Y89 HydrophobicContact CB-CG 3.64Å; F85-Y89 WeakPolarHBondContact O-CB 3.17Å; F85-Y89 PolarHBondContact O-N 2.66Å; H87-Y89 PolarHBondContact O-N 2.85Å; Y89-I92 PolarHBondContact O-N 3.47Å; Y89-L93 HydrophobicContact CD1-CD1 4.11Å; Y89-L93 HydrophobicContact CD2-CD1 4.5Å; Y89-L93 HydrophobicContact CD2-CG 4.49Å; Y89-L93 HydrophobicContact CE1-CD1 3.53Å; Y89-L93 HydrophobicContact CE1-CG 4.46Å; Y89-L93 HydrophobicContact CE2-CD1 3.96Å; Y89-L93 HydrophobicContact CE2-CD2 4.5Å; Y89-L93 HydrophobicContact CE2-CG 4.15Å; Y89-L93 VanDerWaalsContact CZ-CD1 3.45Å; Y89-L93 WeakPolarHBondContact O-CG 3.38Å; Y89-L93 PolarHBondContact O-N 3.15Å
90H79.7Confident82.5Confident5 Ų562.7 Ų62.72%0.02330%0.301CS..Hα-helixtrans-69.5-34.6178.8-73.9-67.9000113.5T86 H87 G94 R105 V205T86-H90 WeakPolarHBondContact O-CB 3.5Å; T86-H90 PolarHBondContact O-CD2 2.86Å; T86-H90 PolarHBondContact O-N 3.33Å; T86-H90 VanDerWaalsContact O-N 3.11Å; H87-H90 PolarHBondContact O-N 3.45Å; H90-G94 WeakPolarHBondContact O-CA 3.47Å; H90-G94 PolarHBondContact O-N 3.01Å; H90-R105 PolarHBondContact CE1-NH1 3.33Å; H90-V205 HydrophobicContact CB-CG2 4.3Å; H90-V205 VanDerWaalsContact CD2-CG2 3.45Å; H90-V205 WeakPolarHBondContact CD2-CG2 3.31Å
91I79.9Confident82.4Confident32 Ų3261 Ų6116%0.16430%0.295CS..Hα-helixtrans-61.1-47.4171.7-69.1161.5000110.4H87 M88 L93 G94 N95 I199 Y201H87-I91 WeakPolarHBondContact O-CD1 3.47Å; H87-I91 WeakPolarHBondContact O-CG1 3.31Å; H87-I91 PolarHBondContact O-N 3.32Å; M88-I91 PolarHBondContact O-N 2.87Å; M88-I91 HydrophobicContact SD-CD1 4.5Å; I91-L93 PolarHBondContact O-N 3.4Å; I91-G94 PolarHBondContact O-N 3.47Å; I91-N95 WeakPolarHBondContact O-CB 3.35Å; I91-N95 PolarHBondContact O-N 3.18Å; I91-N95 PolarHBondContact O-ND2 3.27Å; I91-I199 HydrophobicContact CD1-CD1 4.35Å; I91-I199 HydrophobicContact CG1-CD1 3.97Å; I91-I199 HydrophobicContact CG2-CD1 4.31Å; I91-Y201 HydrophobicContact CD1-CE1 3.7Å; I91-Y201 HydrophobicContact CG1-CE1 3.72Å
92I84.1Confident82.2Confident97 Ų9761 Ų6150%0.49729%0.294SS..Hα-helixtrans-60.8-49.2-179.7-69.2164.5000110.3M88 Y89 N95 I96M88-I92 WeakPolarHBondContact O-CD1 3.24Å; M88-I92 VanDerWaalsContact O-CG1 3.23Å; M88-I92 WeakPolarHBondContact O-CG1 3.28Å; M88-I92 PolarHBondContact O-N 2.91Å; Y89-I92 PolarHBondContact O-N 3.47Å; I92-N95 PolarHBondContact O-N 2.92Å; I92-I96 HydrophobicContact CG2-CD1 3.91Å; I92-I96 WeakPolarHBondContact O-CG1 3.49Å; I92-I96 PolarHBondContact O-N 3.45Å
93L83.9Confident82.4Confident20 Ų2060.2 Ų60.211%0.10529%0.291CS..Hα-helixtrans-65.1-40.2178.5-69.1-175.6000112.3Y89 I91 N95 I96 F97 T101 R105Y89-L93 HydrophobicContact CD1-CD1 4.11Å; Y89-L93 HydrophobicContact CD2-CD1 4.5Å; Y89-L93 HydrophobicContact CD2-CG 4.49Å; Y89-L93 HydrophobicContact CE1-CD1 3.53Å; Y89-L93 HydrophobicContact CE1-CG 4.46Å; Y89-L93 HydrophobicContact CE2-CD1 3.96Å; Y89-L93 HydrophobicContact CE2-CD2 4.5Å; Y89-L93 HydrophobicContact CE2-CG 4.15Å; Y89-L93 VanDerWaalsContact CZ-CD1 3.45Å; Y89-L93 WeakPolarHBondContact O-CG 3.38Å; Y89-L93 PolarHBondContact O-N 3.15Å; I91-L93 PolarHBondContact O-N 3.4Å; L93-N95 VanDerWaalsContact C-N 3.3Å; L93-N95 PolarHBondContact O-N 3.01Å; L93-I96 PolarHBondContact O-N 3.03Å; L93-I96 VanDerWaalsContact O-N 3.09Å; L93-F97 HydrophobicContact CD2-CD2 4.15Å; L93-F97 HydrophobicContact CD2-CE2 3.91Å; L93-F97 PolarHBondContact O-N 3.34Å; L93-T101 HydrophobicContact CB-CG2 3.52Å; L93-T101 HydrophobicContact CD1-CG2 4.21Å; L93-T101 PolarHBondContact O-OG1 3.27Å; L93-R105 HydrophobicContact CD1-CG 4.01Å
94G79.5Confident82.7Confident2 Ų262.2 Ų62.22%0.02130%0.301CS..Hα-helixtrans-57.2-40.8173.600000113.1H90 I91 I96 G98 T101H90-G94 WeakPolarHBondContact O-CA 3.47Å; H90-G94 PolarHBondContact O-N 3.01Å; I91-G94 PolarHBondContact O-N 3.47Å; G94-I96 VanDerWaalsContact C-N 3.33Å; G94-I96 PolarHBondContact O-N 2.79Å; G94-G98 WeakPolarHBondContact O-CA 3.39Å; G94-G98 PolarHBondContact O-N 3.1Å; G94-T101 WeakPolarHBondContact CA-OG1 3.28Å
95N81.7Confident82.8Confident102 Ų10261.2 Ų61.255%0.54529%0.294SS..Hα-helixtrans-67.6-32.9175.4-71.1-18.3000112.5I91 I92 L93 F177I91-N95 WeakPolarHBondContact O-CB 3.35Å; I91-N95 PolarHBondContact O-N 3.18Å; I91-N95 PolarHBondContact O-ND2 3.27Å; I92-N95 PolarHBondContact O-N 2.92Å; L93-N95 VanDerWaalsContact C-N 3.3Å; L93-N95 PolarHBondContact O-N 3.01Å; N95-F177 WeakPolarHBondContact OD1-CZ 3.23Å
96I86.2Confident83Confident112 Ų11258.3 Ų58.357%0.57429%0.285SS*.Hα-helixtrans-82.8-47.1-177.5-65.1166.2000111.6I92 L93 G94I92-I96 HydrophobicContact CG2-CD1 3.91Å; I92-I96 WeakPolarHBondContact O-CG1 3.49Å; I92-I96 PolarHBondContact O-N 3.45Å; L93-I96 PolarHBondContact O-N 3.03Å; L93-I96 VanDerWaalsContact O-N 3.09Å; G94-I96 VanDerWaalsContact C-N 3.33Å; G94-I96 PolarHBondContact O-N 2.79Å
97F85.4Confident83.8Confident81 Ų8158.4 Ų58.436%0.35528%0.284SS..Hα-helixtrans-108.4-8.6-170.3-63-59.9000113.7L93 R99 Y100 T101 I104L93-F97 HydrophobicContact CD2-CD2 4.15Å; L93-F97 HydrophobicContact CD2-CE2 3.91Å; L93-F97 PolarHBondContact O-N 3.34Å; F97-R99 PolarHBondContact O-N 3.14Å; F97-Y100 PolarHBondContact O-N 3.35Å; F97-T101 WeakPolarHBondContact CB-OG1 3.26Å; F97-I104 HydrophobicContact CB-CD1 4.04Å; F97-I104 HydrophobicContact CD1-CD1 3.38Å; F97-I104 HydrophobicContact CD1-CG2 4.41Å; F97-I104 HydrophobicContact CE1-CD1 3.99Å; F97-I104 HydrophobicContact CE1-CG2 4.18Å; F97-I104 HydrophobicContact CE2-CG2 4.44Å; F97-I104 HydrophobicContact CG-CD1 3.84Å; F97-I104 HydrophobicContact CZ-CG2 4.2Å
98G81.1Confident84.6Confident26 Ų2655.8 Ų55.827%0.26828%0.275SS..G310 helixtrans57.9-136.9-177.200000111.8G94 Y100 T101 I176G94-G98 WeakPolarHBondContact O-CA 3.39Å; G94-G98 PolarHBondContact O-N 3.1Å; G98-Y100 PolarHBondContact O-N 2.83Å; G98-Y100 VanDerWaalsContact O-N 3.14Å; G98-T101 WeakPolarHBondContact O-CB 3.47Å; G98-T101 PolarHBondContact O-N 3.49Å; G98-T101 PolarHBondContact O-OG1 3.25Å; G98-I176 WeakPolarHBondContact O-CD1 3.25Å
99R80.3Confident84.9Confident122 Ų12251.3 Ų51.346%0.4625%0.254SS..G310 helixtrans-64.9-15-179.1-56.4-172.4-169.7168.22.3114.1F97 T101 P171 N175 I176F97-R99 PolarHBondContact O-N 3.14Å; R99-T101 VanDerWaalsContact C-N 3.34Å; R99-P171 HydrophobicContact CB-CB 4.27Å; R99-P171 WeakPolarHBondContact O-CB 3.32Å; R99-N175 PolarHBondContact NH2-OD1 3.1Å; R99-I176 HydrophobicContact CB-CD1 4.37Å; R99-I176 HydrophobicContact CG-CD1 3.94Å; R99-I176 HydrophobicContact CG-CG1 4.38Å
100Y84.1Confident85.2Confident141 Ų14150.5 Ų50.555%0.55325%0.254SS*.G310 helixtrans-89.51179.3-61.6-78.1000113.5F97 G98 C102 L103 I104 P171F97-Y100 PolarHBondContact O-N 3.35Å; G98-Y100 PolarHBondContact O-N 2.83Å; G98-Y100 VanDerWaalsContact O-N 3.14Å; Y100-C102 PolarHBondContact O-N 3.45Å; Y100-L103 HydrophobicContact CD1-CD1 4.1Å; Y100-L103 PolarHBondContact O-N 3.22Å; Y100-I104 WeakPolarHBondContact O-CG1 3.43Å; Y100-I104 PolarHBondContact O-N 3.34Å; Y100-P171 HydrophobicContact CD1-CB 4.32Å; Y100-P171 HydrophobicContact CD1-CG 4.4Å; Y100-P171 HydrophobicContact CE1-CB 4.44Å; Y100-P171 HydrophobicContact CE1-CG 4.05Å
101T85.2Confident85.8Confident2 Ų250.8 Ų50.81%0.01226%0.256CS..Hα-helixtrans-49-54.6-178.5-64.20000112.5L93 G94 F97 G98 R99 L103 I104 R105L93-T101 HydrophobicContact CB-CG2 3.52Å; L93-T101 HydrophobicContact CD1-CG2 4.21Å; L93-T101 PolarHBondContact O-OG1 3.27Å; G94-T101 WeakPolarHBondContact CA-OG1 3.28Å; F97-T101 WeakPolarHBondContact CB-OG1 3.26Å; G98-T101 WeakPolarHBondContact O-CB 3.47Å; G98-T101 PolarHBondContact O-N 3.49Å; G98-T101 PolarHBondContact O-OG1 3.25Å; R99-T101 VanDerWaalsContact C-N 3.34Å; T101-L103 PolarHBondContact O-N 3.38Å; T101-I104 PolarHBondContact O-N 3.21Å; T101-R105 VanDerWaalsContact O-CG 3.31Å; T101-R105 WeakPolarHBondContact O-CG 3.38Å; T101-R105 PolarHBondContact O-N 3.34Å
102C83.1Confident86.4Confident14 Ų1450.4 Ų50.410%0.09525%0.254CS..Hα-helixtrans-62-45.3-178.6172.70000112.2Y100 I104 R105 V106 C207Y100-C102 PolarHBondContact O-N 3.45Å; C102-I104 PolarHBondContact O-N 3.35Å; C102-R105 PolarHBondContact O-N 3.02Å; C102-V106 WeakPolarHBondContact O-CG2 3.11Å; C102-V106 PolarHBondContact O-N 2.93Å; C102-C207 HydrophobicContact CB-CB 4.21Å; C102-C207 WeakPolarHBondContact CB-SG 3.38Å; C102-C207 VanDerWaalsContact SG-CA 3.56Å; C102-C207 WeakPolarHBondContact SG-CB 3.39Å; C102-C207 PolarHBondContact SG-N 3.49Å; C102-C207 CovalentContact SG-SG 2.03Å; C102-C207 PolarHBondContact SG-SG 3.41Å
103L87.2Confident86.6Confident16 Ų1647.2 Ų47.28%0.08424%0.238CC..Hα-helixtrans-61.3-45.9179.4-73.5172.5000112.1Y100 T101 R105 V106 I107 T165 P171Y100-L103 HydrophobicContact CD1-CD1 4.1Å; Y100-L103 PolarHBondContact O-N 3.22Å; T101-L103 PolarHBondContact O-N 3.38Å; L103-R105 PolarHBondContact O-N 3.44Å; L103-V106 PolarHBondContact O-N 3.04Å; L103-I107 WeakPolarHBondContact O-CB 3.46Å; L103-I107 WeakPolarHBondContact O-CD1 3.46Å; L103-I107 WeakPolarHBondContact O-CG1 3.28Å; L103-I107 PolarHBondContact O-N 2.98Å; L103-T165 HydrophobicContact CD2-CG2 3.66Å; L103-P171 HydrophobicContact CD1-CB 4.16Å; L103-P171 HydrophobicContact CD1-CG 4.34Å
104I89Confident87Confident59 Ų5946.8 Ų46.830%0.30324%0.235SC..Hα-helixtrans-64.2-41.6-179.4-68.8172.2000110.7F97 Y100 T101 C102 T108F97-I104 HydrophobicContact CB-CD1 4.04Å; F97-I104 HydrophobicContact CD1-CD1 3.38Å; F97-I104 HydrophobicContact CD1-CG2 4.41Å; F97-I104 HydrophobicContact CE1-CD1 3.99Å; F97-I104 HydrophobicContact CE1-CG2 4.18Å; F97-I104 HydrophobicContact CE2-CG2 4.44Å; F97-I104 HydrophobicContact CG-CD1 3.84Å; F97-I104 HydrophobicContact CZ-CG2 4.2Å; Y100-I104 WeakPolarHBondContact O-CG1 3.43Å; Y100-I104 PolarHBondContact O-N 3.34Å; T101-I104 PolarHBondContact O-N 3.21Å; C102-I104 PolarHBondContact O-N 3.35Å; I104-T108 VanDerWaalsContact O-CB 3.3Å; I104-T108 WeakPolarHBondContact O-CB 3.4Å; I104-T108 PolarHBondContact O-N 2.85Å; I104-T108 PolarHBondContact O-OG1 2.97Å
105R88.9Confident87.6Confident26 Ų2647.3 Ų47.310%0.09824%0.238CC..Hα-helixtrans-59-53.9174.9-72.5178.576.5-141.91.5111.3D78 E82 H90 L93 T101 C102 L103 I107 T108 I109D78-R105 IonicContact OD1-CZ 2.83Å; D78-R105 VanDerWaalsContact OD1-CZ 3.32Å; D78-R105 IonicContact OD1-NE 3.8Å; D78-R105 PolarHBondContact OD1-NE 3.36Å; D78-R105 IonicContact OD1-NH2 3.16Å; D78-R105 PolarHBondContact OD1-NH2 2.9Å; D78-R105 IonicContact OD2-CZ 2.58Å; D78-R105 IonicContact OD2-NE 3.61Å; D78-R105 IonicContact OD2-NH2 3.13Å; D78-R105 PolarHBondContact OD2-NH2 3.07Å; E82-R105 IonicContact OE2-CZ 3.94Å; E82-R105 IonicContact OE2-NH1 2.78Å; E82-R105 IonicContact OE2-NH2 3.74Å; E82-R105 PolarHBondContact OE2-NH2 3.4Å; H90-R105 PolarHBondContact CE1-NH1 3.33Å; L93-R105 HydrophobicContact CD1-CG 4.01Å; T101-R105 VanDerWaalsContact O-CG 3.31Å; T101-R105 WeakPolarHBondContact O-CG 3.38Å; T101-R105 PolarHBondContact O-N 3.34Å; C102-R105 PolarHBondContact O-N 3.02Å; L103-R105 PolarHBondContact O-N 3.44Å; R105-I107 PolarHBondContact O-N 2.93Å; R105-T108 PolarHBondContact O-N 3.46Å; R105-I109 WeakPolarHBondContact O-CG1 3.23Å; R105-I109 PolarHBondContact O-N 3.27Å
106V86.9Confident88Confident54 Ų5442.7 Ų42.733%0.32721%0.214SC..Hα-helixtrans-59.6-48.1-178.7173.90000110.9C102 L103 T108 I109 V110 T165C102-V106 WeakPolarHBondContact O-CG2 3.11Å; C102-V106 PolarHBondContact O-N 2.93Å; L103-V106 PolarHBondContact O-N 3.04Å; V106-T108 VanDerWaalsContact C-N 3.3Å; V106-T108 PolarHBondContact O-N 2.84Å; V106-I109 PolarHBondContact O-N 3.1Å; V106-V110 HydrophobicContact CG1-CG2 4.1Å; V106-V110 VanDerWaalsContact O-CB 3.3Å; V106-V110 WeakPolarHBondContact O-CB 3.41Å; V106-V110 WeakPolarHBondContact O-CG2 3.36Å; V106-V110 PolarHBondContact O-N 3.07Å; V106-T165 HydrophobicContact CB-CG2 4.18Å; V106-T165 HydrophobicContact CG1-CG2 3.85Å
107I91.3Very high88.1Confident34 Ų3438.6 Ų38.617%0.17419%0.193CC..Hα-helixtrans-57.3-44.6177.9-71.9168.6000111.1L103 R105 C111 I162 T165L103-I107 WeakPolarHBondContact O-CB 3.46Å; L103-I107 WeakPolarHBondContact O-CD1 3.46Å; L103-I107 WeakPolarHBondContact O-CG1 3.28Å; L103-I107 PolarHBondContact O-N 2.98Å; R105-I107 PolarHBondContact O-N 2.93Å; I107-C111 WeakPolarHBondContact O-CB 3.34Å; I107-C111 PolarHBondContact O-N 3.24Å; I107-I162 HydrophobicContact CG2-CG1 3.6Å; I107-T165 HydrophobicContact CD1-CG2 4.33Å; I107-T165 HydrophobicContact CG1-CG2 3.76Å
108T92.1Very high88.4Confident47 Ų4735.8 Ų35.829%0.28818%0.182SC..Hα-helixtrans-65.3-47.9-177.4-58.10000111.1I74 I104 R105 V106 L112I74-T108 HydrophobicContact CG2-CG2 3.77Å; I104-T108 VanDerWaalsContact O-CB 3.3Å; I104-T108 WeakPolarHBondContact O-CB 3.4Å; I104-T108 PolarHBondContact O-N 2.85Å; I104-T108 PolarHBondContact O-OG1 2.97Å; R105-T108 PolarHBondContact O-N 3.46Å; V106-T108 VanDerWaalsContact C-N 3.3Å; V106-T108 PolarHBondContact O-N 2.84Å; T108-L112 HydrophobicContact CG2-CD1 4.03Å; T108-L112 WeakPolarHBondContact O-CB 3.29Å; T108-L112 VanDerWaalsContact O-CG 3.24Å; T108-L112 WeakPolarHBondContact O-CG 3.43Å; T108-L112 PolarHBondContact O-N 3.5Å
109I89.9Confident88.9Confident36 Ų3634.6 Ų34.619%0.18517%0.169CC..Hα-helixtrans-62.7-48178.8-64.9165.6000110.3A75 D78 R105 V106 L112 L113A75-I109 HydrophobicContact CB-CG1 4.28Å; D78-I109 WeakPolarHBondContact OD2-CD1 3.5Å; R105-I109 WeakPolarHBondContact O-CG1 3.23Å; R105-I109 PolarHBondContact O-N 3.27Å; V106-I109 PolarHBondContact O-N 3.1Å; I109-L112 PolarHBondContact O-N 3.02Å; I109-L113 HydrophobicContact CG2-CD1 3.73Å; I109-L113 HydrophobicContact CG2-CG 4.29Å; I109-L113 WeakPolarHBondContact O-CB 3.48Å; I109-L113 WeakPolarHBondContact O-CG 3.38Å; I109-L113 PolarHBondContact O-N 3.02Å
110V89.2Confident89.3Confident32 Ų3229.2 Ų29.219%0.19415%0.149CC..Hα-helixtrans-61.4-48.7-179.8171.30000111.1V106 L112 L113 W114V106-V110 HydrophobicContact CG1-CG2 4.1Å; V106-V110 VanDerWaalsContact O-CB 3.3Å; V106-V110 WeakPolarHBondContact O-CB 3.41Å; V106-V110 WeakPolarHBondContact O-CG2 3.36Å; V106-V110 PolarHBondContact O-N 3.07Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.42Å; V110-L113 PolarHBondContact O-N 2.88Å; V110-W114 HydrophobicContact CG1-CD2 3.51Å; V110-W114 VanDerWaalsContact CG1-CE2 3.44Å; V110-W114 HydrophobicContact CG1-CE3 3.68Å; V110-W114 HydrophobicContact CG1-CG 4.17Å; V110-W114 HydrophobicContact CG1-CH2 3.71Å; V110-W114 HydrophobicContact CG1-CZ2 3.56Å; V110-W114 HydrophobicContact CG1-CZ3 3.78Å; V110-W114 VanDerWaalsContact O-CB 3.28Å; V110-W114 WeakPolarHBondContact O-CB 3.42Å; V110-W114 VanDerWaalsContact O-CG 3.27Å; V110-W114 PolarHBondContact O-N 2.97Å
111C93Very high89.6Confident11 Ų1123.2 Ų23.27%0.07413%0.127CC..Hα-helixtrans-60.4-44.1178.6176.10000111.4I107 T115 C158I107-C111 WeakPolarHBondContact O-CB 3.34Å; I107-C111 PolarHBondContact O-N 3.24Å; C111-T115 WeakPolarHBondContact O-CB 3.45Å; C111-T115 PolarHBondContact O-N 2.95Å; C111-T115 PolarHBondContact O-OG1 2.93Å; C111-C158 HydrophobicContact CB-CB 4.15Å; C111-C158 WeakPolarHBondContact CB-SG 3.12Å; C111-C158 WeakPolarHBondContact SG-CA 3.3Å; C111-C158 WeakPolarHBondContact SG-CB 3.17Å; C111-C158 CovalentContact SG-SG 2.04Å; C111-C158 PolarHBondContact SG-SG 2.87Å
112L92.7Very high89.9Confident25 Ų2523.8 Ų23.813%0.13113%0.133CC..Hα-helixtrans-63.6-48.3-179.8-72.7173.8000112.2F70 I71 I74 A75 T108 I109 V110 T115 S116F70-L112 HydrophobicContact CB-CD2 3.76Å; I71-L112 HydrophobicContact CG1-CB 3.84Å; I74-L112 HydrophobicContact CB-CD1 4.01Å; I74-L112 HydrophobicContact CD1-CD1 4.29Å; I74-L112 HydrophobicContact CG2-CD1 4.26Å; A75-L112 HydrophobicContact CB-CD1 4.47Å; T108-L112 HydrophobicContact CG2-CD1 4.03Å; T108-L112 WeakPolarHBondContact O-CB 3.29Å; T108-L112 VanDerWaalsContact O-CG 3.24Å; T108-L112 WeakPolarHBondContact O-CG 3.43Å; T108-L112 PolarHBondContact O-N 3.5Å; I109-L112 PolarHBondContact O-N 3.02Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.42Å; L112-T115 PolarHBondContact O-N 2.89Å; L112-S116 PolarHBondContact O-N 2.79Å
113L88.5Confident90.1Very high30 Ų3023.2 Ų23.216%0.15713%0.13CC..Hα-helixtrans-65.7-44.6-179.4-69.9178.5000112I109 V110 S116 N117 I343 Y344I109-L113 HydrophobicContact CG2-CD1 3.73Å; I109-L113 HydrophobicContact CG2-CG 4.29Å; I109-L113 WeakPolarHBondContact O-CB 3.48Å; I109-L113 WeakPolarHBondContact O-CG 3.38Å; I109-L113 PolarHBondContact O-N 3.02Å; V110-L113 PolarHBondContact O-N 2.88Å; L113-S116 PolarHBondContact O-N 3.4Å; L113-N117 PolarHBondContact O-N 3.19Å; L113-I343 HydrophobicContact CD2-CG2 3.84Å; L113-Y344 HydrophobicContact CD2-CE1 4.04Å
114W90.9Very high90.2Very high10 Ų1022.5 Ų22.54%0.03813%0.126CC..Hα-helixtrans-65.3-41.4177.3-71.21.8000112.1V110 S116 N117 L118 S160 I164 D233 F237V110-W114 HydrophobicContact CG1-CD2 3.51Å; V110-W114 VanDerWaalsContact CG1-CE2 3.44Å; V110-W114 HydrophobicContact CG1-CE3 3.68Å; V110-W114 HydrophobicContact CG1-CG 4.17Å; V110-W114 HydrophobicContact CG1-CH2 3.71Å; V110-W114 HydrophobicContact CG1-CZ2 3.56Å; V110-W114 HydrophobicContact CG1-CZ3 3.78Å; V110-W114 VanDerWaalsContact O-CB 3.28Å; V110-W114 WeakPolarHBondContact O-CB 3.42Å; V110-W114 VanDerWaalsContact O-CG 3.27Å; V110-W114 PolarHBondContact O-N 2.97Å; W114-S116 PolarHBondContact O-N 2.85Å; W114-N117 PolarHBondContact O-N 2.7Å; W114-L118 WeakPolarHBondContact O-CB 3.35Å; W114-L118 VanDerWaalsContact O-CG 3.29Å; W114-L118 WeakPolarHBondContact O-CG 3.5Å; W114-L118 PolarHBondContact O-N 2.91Å; W114-S160 VanDerWaalsContact CE3-OG 3.25Å; W114-S160 WeakPolarHBondContact CZ3-OG 3.46Å; W114-I164 HydrophobicContact CH2-CB 4.37Å; W114-I164 HydrophobicContact CH2-CD1 3.5Å; W114-I164 HydrophobicContact CH2-CG1 4.48Å; W114-I164 HydrophobicContact CH2-CG2 4.37Å; W114-I164 HydrophobicContact CZ3-CD1 3.92Å; W114-D233 HydrophobicContact CZ2-CB 3.97Å; W114-D233 VanDerWaalsContact CZ2-OD1 3.23Å; W114-D233 WeakPolarHBondContact CZ2-OD1 3.15Å; W114-D233 PolarHBondContact NE1-OD1 3.37Å; W114-F237 HydrophobicContact CB-CD1 3.96Å; W114-F237 HydrophobicContact CB-CE1 4.44Å; W114-F237 AromaticContact CD1-CG 3.96Å; W114-F237 HydrophobicContact CD2-CB 4.09Å; W114-F237 AromaticContact CD2-CD1 3.48Å; W114-F237 HydrophobicContact CD2-CD1 3.48Å; W114-F237 VanDerWaalsContact CD2-CD1 3.48Å; W114-F237 AromaticContact CD2-CD2 3.84Å; W114-F237 HydrophobicContact CD2-CD2 3.84Å; W114-F237 AromaticContact CD2-CE1 3.77Å; W114-F237 HydrophobicContact CD2-CE1 3.77Å; W114-F237 HydrophobicContact CD2-CE2 4.1Å; W114-F237 AromaticContact CD2-CG 3.51Å; W114-F237 HydrophobicContact CD2-CG 3.51Å; W114-F237 HydrophobicContact CD2-CZ 4.07Å; W114-F237 AromaticContact CE2-CD1 3.99Å; W114-F237 AromaticContact CE2-CD2 3.55Å; W114-F237 AromaticContact CE2-CG 3.49Å; W114-F237 VanDerWaalsContact CE2-CG 3.49Å; W114-F237 AromaticContact CE3-CD1 3.73Å; W114-F237 HydrophobicContact CE3-CD1 3.73Å; W114-F237 HydrophobicContact CE3-CD2 4Å; W114-F237 AromaticContact CE3-CE1 3.48Å; W114-F237 HydrophobicContact CE3-CE1 3.48Å; W114-F237 VanDerWaalsContact CE3-CE1 3.48Å; W114-F237 AromaticContact CE3-CE2 3.76Å; W114-F237 HydrophobicContact CE3-CE2 3.76Å; W114-F237 AromaticContact CE3-CG 3.99Å; W114-F237 HydrophobicContact CE3-CG 3.99Å; W114-F237 AromaticContact CE3-CZ 3.5Å; W114-F237 HydrophobicContact CE3-CZ 3.5Å; W114-F237 VanDerWaalsContact CE3-CZ 3.5Å; W114-F237 HydrophobicContact CG-CB 4.02Å; W114-F237 AromaticContact CG-CD1 3.62Å; W114-F237 HydrophobicContact CG-CD1 3.62Å; W114-F237 HydrophobicContact CG-CE1 4.23Å; W114-F237 AromaticContact CG-CG 3.82Å; W114-F237 HydrophobicContact CG-CG 3.82Å; W114-F237 AromaticContact CH2-CD2 3.71Å; W114-F237 HydrophobicContact CH2-CD2 3.71Å; W114-F237 AromaticContact CH2-CE2 3.5Å; W114-F237 HydrophobicContact CH2-CE2 3.5Å; W114-F237 VanDerWaalsContact CH2-CE2 3.5Å; W114-F237 HydrophobicContact CH2-CG 4.4Å; W114-F237 HydrophobicContact CH2-CZ 4.06Å; W114-F237 HydrophobicContact CZ2-CB 4.45Å; W114-F237 AromaticContact CZ2-CD2 3.5Å; W114-F237 HydrophobicContact CZ2-CD2 3.5Å; W114-F237 VanDerWaalsContact CZ2-CD2 3.5Å; W114-F237 AromaticContact CZ2-CE2 3.82Å; W114-F237 HydrophobicContact CZ2-CE2 3.82Å; W114-F237 AromaticContact CZ2-CG 3.96Å; W114-F237 HydrophobicContact CZ2-CG 3.96Å; W114-F237 HydrophobicContact CZ3-CD1 4.42Å; W114-F237 AromaticContact CZ3-CD2 3.93Å; W114-F237 HydrophobicContact CZ3-CD2 3.93Å; W114-F237 AromaticContact CZ3-CE1 3.99Å; W114-F237 HydrophobicContact CZ3-CE1 3.99Å; W114-F237 AromaticContact CZ3-CE2 3.44Å; W114-F237 HydrophobicContact CZ3-CE2 3.44Å; W114-F237 VanDerWaalsContact CZ3-CE2 3.44Å; W114-F237 HydrophobicContact CZ3-CG 4.39Å; W114-F237 AromaticContact CZ3-CZ 3.48Å; W114-F237 HydrophobicContact CZ3-CZ 3.48Å; W114-F237 VanDerWaalsContact CZ3-CZ 3.48Å; W114-F237 AromaticContact NE1-CG 3.74Å
115T93.1Very high90.2Very high13 Ų1323.6 Ų23.68%0.0813%0.131CC..Hα-helixtrans-55.9-51.3173.9-65.20000110.2C111 L112 N117 L118 L119 I154 S157C111-T115 WeakPolarHBondContact O-CB 3.45Å; C111-T115 PolarHBondContact O-N 2.95Å; C111-T115 PolarHBondContact O-OG1 2.93Å; L112-T115 PolarHBondContact O-N 2.89Å; T115-N117 PolarHBondContact O-N 3.45Å; T115-L118 PolarHBondContact O-N 3.48Å; T115-L119 HydrophobicContact CG2-CD1 3.54Å; T115-L119 HydrophobicContact CG2-CG 4.09Å; T115-L119 VanDerWaalsContact O-CB 3.3Å; T115-L119 WeakPolarHBondContact O-CB 3.34Å; T115-L119 WeakPolarHBondContact O-CG 3.18Å; T115-L119 PolarHBondContact O-N 3.43Å; T115-I154 HydrophobicContact CG2-CG1 3.87Å; T115-S157 PolarHBondContact OG1-OG 3.38Å
116S90.3Very high90.1Very high5 Ų522.8 Ų22.84%0.03513%0.129CC..Hα-helixtrans-60.8-48.1-179.2-1760000112.5I71 L112 L113 W114 L118 L119 Q120I71-S116 VanDerWaalsContact CD1-CB 3.44Å; L112-S116 PolarHBondContact O-N 2.79Å; L113-S116 PolarHBondContact O-N 3.4Å; W114-S116 PolarHBondContact O-N 2.85Å; S116-L118 PolarHBondContact O-N 3.37Å; S116-L119 PolarHBondContact O-N 3.49Å; S116-Q120 WeakPolarHBondContact O-CB 3.35Å; S116-Q120 PolarHBondContact O-N 2.9Å
117N88.2Confident90Very high26 Ų2621.3 Ų21.314%0.13912%0.117CC..Hα-helixtrans-59.9-45.1179.1-76.4-15.6000112.4L113 W114 T115 T121 F237 N303L113-N117 PolarHBondContact O-N 3.19Å; W114-N117 PolarHBondContact O-N 2.7Å; T115-N117 PolarHBondContact O-N 3.45Å; N117-T121 WeakPolarHBondContact O-CB 3.48Å; N117-T121 PolarHBondContact O-N 3.4Å; N117-T121 PolarHBondContact O-OG1 2.88Å; N117-F237 PolarHBondContact ND2-O 3.31Å; N117-N303 PolarHBondContact OD1-ND2 3Å
118L91.5Very high89.8Confident23 Ų2321.3 Ų21.312%0.1212%0.117CC..Hα-helixtrans-69.6-36.7178.7-68.9-179.3000112.1W114 T115 S116 T121 G122 L153 F156 F237 P241W114-L118 WeakPolarHBondContact O-CB 3.35Å; W114-L118 VanDerWaalsContact O-CG 3.29Å; W114-L118 WeakPolarHBondContact O-CG 3.5Å; W114-L118 PolarHBondContact O-N 2.91Å; T115-L118 PolarHBondContact O-N 3.48Å; S116-L118 PolarHBondContact O-N 3.37Å; L118-T121 PolarHBondContact O-N 3.33Å; L118-G122 PolarHBondContact O-N 3Å; L118-L153 HydrophobicContact CB-CD2 4.43Å; L118-F156 HydrophobicContact CD1-CD1 3.96Å; L118-F156 HydrophobicContact CD1-CE1 4.34Å; L118-F237 HydrophobicContact CD1-CD1 4.35Å; L118-F237 HydrophobicContact CD1-CE1 4.26Å; L118-P241 HydrophobicContact CD2-CG 4.22Å
119L92Very high89.6Confident1 Ų120.2 Ų20.21%0.00511%0.113CC..Hα-helixtrans-66.4-42.9175.9-72.8173.7000111.8W60 T63 L64 T115 S116 T121 G122 L123 I150W60-L119 HydrophobicContact CE3-CD2 4.17Å; W60-L119 HydrophobicContact CZ3-CD2 3.81Å; W60-L119 WeakPolarHBondContact CZ3-O 3.22Å; T63-L119 HydrophobicContact CG2-CD1 3.52Å; T63-L119 HydrophobicContact CG2-CD2 4Å; T63-L119 HydrophobicContact CG2-CG 4.44Å; L64-L119 HydrophobicContact CD1-CB 3.87Å; T115-L119 HydrophobicContact CG2-CD1 3.54Å; T115-L119 HydrophobicContact CG2-CG 4.09Å; T115-L119 VanDerWaalsContact O-CB 3.3Å; T115-L119 WeakPolarHBondContact O-CB 3.34Å; T115-L119 WeakPolarHBondContact O-CG 3.18Å; T115-L119 PolarHBondContact O-N 3.43Å; S116-L119 PolarHBondContact O-N 3.49Å; L119-T121 VanDerWaalsContact C-N 3.34Å; L119-G122 PolarHBondContact O-N 2.95Å; L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 2.81Å; L119-I150 HydrophobicContact CD2-CG1 4.38Å; L119-I150 HydrophobicContact CD2-CG2 3.97Å
120Q88.5Confident89.2Confident9 Ų920.2 Ų20.24%0.04212%0.116CC..Hα-helixtrans-63.1-43.6176.1-172.31688.600111L64 S116 L123 S124 M245 M295 N296 T299L64-Q120 HydrophobicContact CD1-CB 4.17Å; S116-Q120 WeakPolarHBondContact O-CB 3.35Å; S116-Q120 PolarHBondContact O-N 2.9Å; Q120-L123 PolarHBondContact O-N 2.84Å; Q120-S124 WeakPolarHBondContact O-CB 3.37Å; Q120-S124 PolarHBondContact O-N 3.38Å; Q120-M245 HydrophobicContact CG-SD 3.93Å; Q120-M295 PolarHBondContact NE2-O 2.97Å; Q120-N296 PolarHBondContact NE2-OD1 2.89Å; Q120-T299 VanDerWaalsContact CD-OG1 3.24Å; Q120-T299 PolarHBondContact NE2-OG1 3.48Å; Q120-T299 PolarHBondContact OE1-OG1 3.15Å
121T90.1Very high88.8Confident14 Ų1419.8 Ų19.89%0.08611%0.114CC..Hα-helixtrans-61.4-47.5174.8-58.60000111.7N117 L118 L119 L123 S124 I125 P241 T244N117-T121 WeakPolarHBondContact O-CB 3.48Å; N117-T121 PolarHBondContact O-N 3.4Å; N117-T121 PolarHBondContact O-OG1 2.88Å; L118-T121 PolarHBondContact O-N 3.33Å; L119-T121 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 2.97Å; T121-S124 WeakPolarHBondContact O-CB 3.4Å; T121-S124 PolarHBondContact O-N 3.49Å; T121-S124 VanDerWaalsContact O-N 3.1Å; T121-I125 HydrophobicContact CG2-CD1 3.98Å; T121-I125 WeakPolarHBondContact O-CG1 3.34Å; T121-I125 PolarHBondContact O-N 2.95Å; T121-P241 WeakPolarHBondContact OG1-CB 3.34Å; T121-T244 WeakPolarHBondContact CG2-OG1 3.32Å
122G91.1Very high88.5Confident14 Ų1424.2 Ų24.214%0.14414%0.135CC..Hα-helixtrans-60.8-43.1179.100000112.8L118 L119 S124 I125 E126L118-G122 PolarHBondContact O-N 3Å; L119-G122 PolarHBondContact O-N 2.95Å; G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 3.3Å; G122-I125 PolarHBondContact O-N 3.27Å; G122-E126 PolarHBondContact O-N 3.11Å
123L88.6Confident88Confident3 Ų324.8 Ų24.82%0.01614%0.142CC..Hα-helixtrans-62.4-40.9172.9174.663.7000111.3W60 F61 L119 Q120 T121 I125 E126 R127 L292W60-L123 HydrophobicContact CB-CB 4.34Å; W60-L123 HydrophobicContact CB-CD1 3.65Å; W60-L123 HydrophobicContact CB-CG 4.35Å; W60-L123 HydrophobicContact CD2-CB 4.13Å; W60-L123 HydrophobicContact CE3-CB 4.07Å; W60-L123 HydrophobicContact CG-CB 4.26Å; W60-L123 HydrophobicContact CG-CD1 3.84Å; F61-L123 HydrophobicContact CE1-CD2 4.2Å; F61-L123 HydrophobicContact CZ-CD2 4.41Å; L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 2.81Å; Q120-L123 PolarHBondContact O-N 2.84Å; T121-L123 PolarHBondContact O-N 2.97Å; L123-I125 VanDerWaalsContact C-N 3.33Å; L123-I125 PolarHBondContact O-N 3.19Å; L123-E126 PolarHBondContact O-N 3.32Å; L123-R127 HydrophobicContact CD1-CG 4.31Å; L123-R127 WeakPolarHBondContact O-CB 3.25Å; L123-R127 VanDerWaalsContact O-CG 3.32Å; L123-R127 WeakPolarHBondContact O-CG 3.49Å; L123-R127 PolarHBondContact O-N 3.33Å; L123-L292 HydrophobicContact CB-CD1 4.37Å; L123-L292 HydrophobicContact CD1-CD1 4.37Å; L123-L292 HydrophobicContact CD2-CD1 3.57Å; L123-L292 HydrophobicContact CG-CD1 3.45Å; L123-L292 VanDerWaalsContact CG-CD1 3.45Å
124S88.5Confident87.5Confident0 Ų027.1 Ų27.10%016%0.159CC..Hα-helixtrans-62.8-39.8177.6-148.10000112.1Q120 T121 G122 L128 S248 N296Q120-S124 WeakPolarHBondContact O-CB 3.37Å; Q120-S124 PolarHBondContact O-N 3.38Å; T121-S124 WeakPolarHBondContact O-CB 3.4Å; T121-S124 PolarHBondContact O-N 3.49Å; T121-S124 VanDerWaalsContact O-N 3.1Å; G122-S124 VanDerWaalsContact C-N 3.33Å; G122-S124 PolarHBondContact O-N 3.3Å; S124-L128 WeakPolarHBondContact O-CB 3.41Å; S124-L128 PolarHBondContact O-N 3.39Å; S124-S248 WeakPolarHBondContact CB-OG 3.38Å; S124-S248 PolarHBondContact OG-OG 2.93Å; S124-N296 PolarHBondContact OG-ND2 2.92Å
125I89.7Confident86.9Confident83 Ų8333 Ų3343%0.42619%0.19SC..Hα-helixtrans-69.7-43.2174.5-65.2168.1000111.5T121 G122 L123 R127 L128 A129T121-I125 HydrophobicContact CG2-CD1 3.98Å; T121-I125 WeakPolarHBondContact O-CG1 3.34Å; T121-I125 PolarHBondContact O-N 2.95Å; G122-I125 PolarHBondContact O-N 3.27Å; L123-I125 VanDerWaalsContact C-N 3.33Å; L123-I125 PolarHBondContact O-N 3.19Å; I125-R127 PolarHBondContact O-N 2.84Å; I125-L128 WeakPolarHBondContact O-CB 3.49Å; I125-L128 PolarHBondContact O-N 2.9Å; I125-L128 VanDerWaalsContact O-N 3.17Å; I125-A129 WeakPolarHBondContact O-CB 3.4Å; I125-A129 PolarHBondContact O-N 3.44Å
126E87Confident86.3Confident8 Ų839.2 Ų39.24%0.03722%0.216CC..Hα-helixtrans-55.8-44.5175.1-172.7-131.1-179.300110.3T56 W60 G122 L123 A129 S130T56-E126 VanDerWaalsContact CB-OE1 3.28Å; T56-E126 WeakPolarHBondContact CB-OE1 3.48Å; T56-E126 PolarHBondContact OG1-OE1 3.35Å; W60-E126 VanDerWaalsContact CD1-OE2 3.27Å; G122-E126 PolarHBondContact O-N 3.11Å; L123-E126 PolarHBondContact O-N 3.32Å; E126-A129 PolarHBondContact O-N 2.86Å; E126-S130 WeakPolarHBondContact O-CB 3.46Å; E126-S130 PolarHBondContact O-N 3.21Å
127R83.4Confident85.7Confident24 Ų2439.6 Ų39.69%0.09122%0.218CC..Hα-helixtrans-66.7-42.3176.6-71.8-54.7-165.6-164.8-5.3113.1T57 L123 I125 A129 S130 V131 I252 L292T57-R127 PolarHBondContact OG1-NH1 3.34Å; T57-R127 VanDerWaalsContact OG1-NH1 3.15Å; T57-R127 PolarHBondContact OG1-NH2 3.46Å; L123-R127 HydrophobicContact CD1-CG 4.31Å; L123-R127 WeakPolarHBondContact O-CB 3.25Å; L123-R127 VanDerWaalsContact O-CG 3.32Å; L123-R127 WeakPolarHBondContact O-CG 3.49Å; L123-R127 PolarHBondContact O-N 3.33Å; I125-R127 PolarHBondContact O-N 2.84Å; R127-A129 VanDerWaalsContact C-N 3.33Å; R127-A129 PolarHBondContact O-N 2.97Å; R127-S130 PolarHBondContact O-N 3.33Å; R127-V131 VanDerWaalsContact O-CG2 3.26Å; R127-V131 WeakPolarHBondContact O-CG2 3.43Å; R127-V131 PolarHBondContact O-N 3.16Å; R127-I252 HydrophobicContact CB-CD1 3.94Å; R127-L292 HydrophobicContact CB-CD2 3.93Å; R127-L292 HydrophobicContact CG-CD1 4.13Å; R127-L292 HydrophobicContact CG-CD2 4.04Å
128L87.8Confident85.1Confident33 Ų3345.2 Ų45.217%0.17324%0.237CC..Hα-helixtrans-57.8-49.2174.6-178.865.2000110.7S124 I125 S130 V131 I132 V251 I252S124-L128 WeakPolarHBondContact O-CB 3.41Å; S124-L128 PolarHBondContact O-N 3.39Å; I125-L128 WeakPolarHBondContact O-CB 3.49Å; I125-L128 PolarHBondContact O-N 2.9Å; I125-L128 VanDerWaalsContact O-N 3.17Å; L128-S130 PolarHBondContact O-N 2.94Å; L128-V131 PolarHBondContact O-N 3.02Å; L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.18Å; L128-I132 HydrophobicContact CD2-CD1 4.43Å; L128-I132 HydrophobicContact CG-CD1 3.73Å; L128-I132 HydrophobicContact CG-CG1 4.48Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 3.02Å; L128-V251 HydrophobicContact CD1-CB 3.7Å; L128-V251 HydrophobicContact CD1-CG1 3.47Å; L128-V251 VanDerWaalsContact CD1-CG1 3.47Å; L128-I252 HydrophobicContact CB-CD1 4.33Å; L128-I252 HydrophobicContact CB-CG1 4.43Å; L128-I252 HydrophobicContact CD1-CG1 4.09Å
129A86.6Confident84.3Confident24 Ų2450.6 Ų50.620%0.19827%0.265CS..Hα-helixtrans-59-46.1177.200000111.5I125 E126 R127 V131 I132 S133 T137I125-A129 WeakPolarHBondContact O-CB 3.4Å; I125-A129 PolarHBondContact O-N 3.44Å; E126-A129 PolarHBondContact O-N 2.86Å; R127-A129 VanDerWaalsContact C-N 3.33Å; R127-A129 PolarHBondContact O-N 2.97Å; A129-V131 VanDerWaalsContact C-N 3.28Å; A129-V131 PolarHBondContact O-N 2.9Å; A129-I132 PolarHBondContact O-N 2.94Å; A129-S133 PolarHBondContact O-N 3.48Å; A129-S133 PolarHBondContact O-OG 2.94Å; A129-T137 VanDerWaalsContact C-OG1 3.22Å; A129-T137 PolarHBondContact O-OG1 3.43Å
130S83Confident83.6Confident37 Ų3755.4 Ų55.426%0.25929%0.29SS..Hα-helixtrans-61.6-32.4178-176.80000113.3E126 R127 L128 P134E126-S130 WeakPolarHBondContact O-CB 3.46Å; E126-S130 PolarHBondContact O-N 3.21Å; R127-S130 PolarHBondContact O-N 3.33Å; L128-S130 PolarHBondContact O-N 2.94Å; S130-P134 WeakPolarHBondContact O-CA 3.46Å
131V81.2Confident83Confident23 Ų2358.3 Ų58.314%0.13930%0.302CS..Hα-helixtrans-83.3-37.5179.9175.50000111.6R127 L128 A129 L255R127-V131 VanDerWaalsContact O-CG2 3.26Å; R127-V131 WeakPolarHBondContact O-CG2 3.43Å; R127-V131 PolarHBondContact O-N 3.16Å; L128-V131 PolarHBondContact O-N 3.02Å; A129-V131 VanDerWaalsContact C-N 3.28Å; A129-V131 PolarHBondContact O-N 2.9Å; V131-L255 HydrophobicContact CG1-CB 3.69Å; V131-L255 HydrophobicContact CG1-CD1 3.7Å; V131-L255 HydrophobicContact CG1-CG 4.34Å
132I85.6Confident82.5Confident103 Ų10360.6 Ų60.653%0.52832%0.316SS..Hα-helixtrans-72.1-46.1178.9-68.2174.2000110.9L128 A129 V251 L255L128-I132 HydrophobicContact CD1-CD1 3.67Å; L128-I132 HydrophobicContact CD1-CG1 4.18Å; L128-I132 HydrophobicContact CD2-CD1 4.43Å; L128-I132 HydrophobicContact CG-CD1 3.73Å; L128-I132 HydrophobicContact CG-CG1 4.48Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 3.02Å; A129-I132 PolarHBondContact O-N 2.94Å; I132-V251 HydrophobicContact CD1-CG1 4.49Å; I132-L255 HydrophobicContact CG1-CD1 3.76Å
133S83.2Confident82Confident37 Ų3760.8 Ų60.826%0.25932%0.318SS..  trans-137.268-170.960.80000112.1A129 L135 K136 T137A129-S133 PolarHBondContact O-N 3.48Å; A129-S133 PolarHBondContact O-OG 2.94Å; S133-L135 VanDerWaalsContact C-N 3.26Å; S133-L135 PolarHBondContact O-N 2.88Å; S133-L135 VanDerWaalsContact O-N 3.14Å; S133-K136 PolarHBondContact O-N 3.28Å; S133-K136 VanDerWaalsContact O-N 3.16Å; S133-T137 PolarHBondContact O-N 3.43Å; S133-T137 PolarHBondContact O-OG1 3.47Å
134P77.7Confident81.9Confident80 Ų8070.8 Ų70.852%0.51936%0.355SS..Hα-helixtrans-55.8-37.6-173.521-33.5000113.6S130 R138S130-P134 WeakPolarHBondContact O-CA 3.46Å; P134-R138 WeakPolarHBondContact O-CB 3.36Å; P134-R138 PolarHBondContact O-N 3.38Å; P134-R138 VanDerWaalsContact O-N 3.1Å
135L78.1Confident81.9Confident132 Ų13273.7 Ų73.769%0.69137%0.373SS*.Hα-helixtrans-70.2-46.8178.8-65.1176.2000112.4S133 T137 R138 I139S133-L135 VanDerWaalsContact C-N 3.26Å; S133-L135 PolarHBondContact O-N 2.88Å; S133-L135 VanDerWaalsContact O-N 3.14Å; L135-T137 PolarHBondContact O-N 2.87Å; L135-R138 PolarHBondContact O-N 3.07Å; L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 2.93Å
136K81Confident81.8Confident145 Ų14569.8 Ų69.863%0.6335%0.353SS*.Hα-helixtrans-64.1-42.6178.4-70.1-171.4174-175.60111.1S133 R138 I139 I140S133-K136 PolarHBondContact O-N 3.28Å; S133-K136 VanDerWaalsContact O-N 3.16Å; K136-R138 VanDerWaalsContact C-N 3.34Å; K136-R138 PolarHBondContact O-N 3.39Å; K136-I139 PolarHBondContact O-N 3.38Å; K136-I140 HydrophobicContact CB-CD1 4.47Å; K136-I140 WeakPolarHBondContact O-CB 3.14Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 3.16Å
137T77.3Confident82Confident12 Ų1275.9 Ų75.97%0.07438%0.376CS..Hα-helixtrans-63.9-39.4179-53.90000111.3A129 S133 L135 I139 I140 F141A129-T137 VanDerWaalsContact C-OG1 3.22Å; A129-T137 PolarHBondContact O-OG1 3.43Å; S133-T137 PolarHBondContact O-N 3.43Å; S133-T137 PolarHBondContact O-OG1 3.47Å; L135-T137 PolarHBondContact O-N 2.87Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.05Å; T137-I140 PolarHBondContact O-N 3.01Å; T137-F141 HydrophobicContact CG2-CB 4Å; T137-F141 HydrophobicContact CG2-CD2 3.77Å; T137-F141 HydrophobicContact CG2-CG 4.18Å; T137-F141 WeakPolarHBondContact O-CA 3.33Å; T137-F141 VanDerWaalsContact O-CB 3.31Å; T137-F141 WeakPolarHBondContact O-CB 3.35Å; T137-F141 PolarHBondContact O-N 2.71Å
138R74.3Confident82.5Confident145 Ų14581.7 Ų81.755%0.54740%0.402SS..Hα-helixtrans-63.1-34.3176.2-167.4180-173167.49112.8P134 L135 K136 L393 D394P134-R138 WeakPolarHBondContact O-CB 3.36Å; P134-R138 PolarHBondContact O-N 3.38Å; P134-R138 VanDerWaalsContact O-N 3.1Å; L135-R138 PolarHBondContact O-N 3.07Å; K136-R138 VanDerWaalsContact C-N 3.34Å; K136-R138 PolarHBondContact O-N 3.39Å; R138-L393 PolarHBondContact NH2-O 2.84Å; R138-L393 VanDerWaalsContact NH2-O 3.1Å; R138-D394 IonicContact CZ-OD1 3.47Å; R138-D394 IonicContact NE-OD1 3.32Å; R138-D394 IonicContact NH1-OD1 3.44Å; R138-D394 IonicContact NH2-OD1 2.7Å; R138-D394 PolarHBondContact NH2-OD1 2.58Å; R138-D394 IonicContact NH2-OD2 3.49Å; R138-D394 PolarHBondContact NH2-OD2 3.17Å
139I75.6Confident82.8Confident135 Ų13582.3 Ų82.369%0.69241%0.407SS*.Hα-helixtrans-76.7-46.1179.2-63.7165.1000111L135 K136 T137L135-I139 WeakPolarHBondContact O-CG1 3.4Å; L135-I139 PolarHBondContact O-N 2.93Å; K136-I139 PolarHBondContact O-N 3.38Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.05Å
140I77.9Confident83.1Confident103 Ų10381.6 Ų81.653%0.52840%0.4SS..Hα-helixtrans-85.7-48.2-171.3-61.8168.7000111.7K136 T137 T142K136-I140 HydrophobicContact CB-CD1 4.47Å; K136-I140 WeakPolarHBondContact O-CB 3.14Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 3.16Å; T137-I140 PolarHBondContact O-N 3.01Å; I140-T142 VanDerWaalsContact C-N 3.3Å; I140-T142 PolarHBondContact O-N 3.46Å
141F75.1Confident83.7Confident69 Ų6982.9 Ų82.930%0.30341%0.409SS..  trans-85.576.3-177-75.4-86.8000110.3T56 T137T56-F141 WeakPolarHBondContact CG2-O 3.35Å; T137-F141 HydrophobicContact CG2-CB 4Å; T137-F141 HydrophobicContact CG2-CD2 3.77Å; T137-F141 HydrophobicContact CG2-CG 4.18Å; T137-F141 WeakPolarHBondContact O-CA 3.33Å; T137-F141 VanDerWaalsContact O-CB 3.31Å; T137-F141 WeakPolarHBondContact O-CB 3.35Å; T137-F141 PolarHBondContact O-N 2.71Å
142T80.1Confident84.3Confident63 Ų6386.3 Ų86.339%0.38743%0.426SS..  trans-74.1155.9166.868.80000110.1I140 R144 V145 T146I140-T142 VanDerWaalsContact C-N 3.3Å; I140-T142 PolarHBondContact O-N 3.46Å; T142-R144 PolarHBondContact O-N 2.95Å; T142-V145 PolarHBondContact O-N 2.84Å; T142-V145 VanDerWaalsContact O-N 3.07Å; T142-V145 WeakPolarHBondContact OG1-CG2 3.29Å; T142-T146 PolarHBondContact O-N 3.39Å; T142-T146 VanDerWaalsContact O-N 3.07Å; T142-T146 PolarHBondContact O-OG1 3.39Å
143G80Confident84.8Confident17 Ų1783 Ų8318%0.17541%0.409CS..Hα-helixtrans-58-22177.400000114.3R147G143-R147 VanDerWaalsContact O-CG 3.26Å; G143-R147 WeakPolarHBondContact O-CG 3.14Å; G143-R147 PolarHBondContact O-N 3.12Å
144R86.1Confident85.3Confident214 Ų21484 Ų8481%0.80841%0.411SS*.Hα-helixtrans-72.7-48.9173.8-69.5-175.8-178.41720.1111.3T142 T146 R147 F148T142-R144 PolarHBondContact O-N 2.95Å; R144-T146 VanDerWaalsContact C-N 3.32Å; R144-T146 PolarHBondContact O-N 2.87Å; R144-R147 PolarHBondContact O-N 3.5Å; R144-F148 PolarHBondContact O-N 2.78Å
145V88.4Confident86.2Confident60 Ų6083.7 Ų83.736%0.36441%0.408SS..Hα-helixtrans-59.1-46.1177.9176.10000110.1T142 R147 F148 T149T142-V145 PolarHBondContact O-N 2.84Å; T142-V145 VanDerWaalsContact O-N 3.07Å; T142-V145 WeakPolarHBondContact OG1-CG2 3.29Å; V145-R147 VanDerWaalsContact C-N 3.34Å; V145-R147 PolarHBondContact O-N 3.25Å; V145-F148 WeakPolarHBondContact O-CB 3.24Å; V145-F148 PolarHBondContact O-N 3.19Å; V145-F148 VanDerWaalsContact O-N 3.16Å; V145-T149 PolarHBondContact O-N 3.23Å; V145-T149 PolarHBondContact O-OG1 3.19Å; V145-T149 VanDerWaalsContact O-OG1 3.05Å
146T88.8Confident87Confident1 Ų182.8 Ų82.81%0.00640%0.398CS..Hα-helixtrans-57.3-43.9177.2-56.70000113T56 A59 W60 T142 R144 T149 I150T56-T146 WeakPolarHBondContact CG2-OG1 3.3Å; A59-T146 HydrophobicContact CB-CG2 4.41Å; W60-T146 HydrophobicContact CG-CG2 4.42Å; W60-T146 HydrophobicContact CZ2-CG2 4.44Å; T142-T146 PolarHBondContact O-N 3.39Å; T142-T146 VanDerWaalsContact O-N 3.07Å; T142-T146 PolarHBondContact O-OG1 3.39Å; R144-T146 VanDerWaalsContact C-N 3.32Å; R144-T146 PolarHBondContact O-N 2.87Å; T146-T149 PolarHBondContact O-N 2.89Å; T146-I150 HydrophobicContact CG2-CD1 3.9Å; T146-I150 VanDerWaalsContact O-CG1 3.28Å; T146-I150 WeakPolarHBondContact O-CG1 3.4Å; T146-I150 PolarHBondContact O-N 3.5Å
147R91.3Very high87.5Confident137 Ų13775.9 Ų75.952%0.51737%0.368SS..Hα-helixtrans-66.4-38.8178.2-71.1173.6-163-178.94.8112A59 G143 R144 V145 I150 S151A59-R147 HydrophobicContact CB-CG 4.23Å; G143-R147 VanDerWaalsContact O-CG 3.26Å; G143-R147 WeakPolarHBondContact O-CG 3.14Å; G143-R147 PolarHBondContact O-N 3.12Å; R144-R147 PolarHBondContact O-N 3.5Å; V145-R147 VanDerWaalsContact C-N 3.34Å; V145-R147 PolarHBondContact O-N 3.25Å; R147-I150 PolarHBondContact O-N 3.48Å; R147-S151 WeakPolarHBondContact O-CB 3.34Å; R147-S151 PolarHBondContact O-N 3.29Å
148F93.1Very high88.4Confident145 Ų14577.4 Ų77.464%0.63638%0.379SS*.Hα-helixtrans-63-45.8174.7-176.5-98.6000111.3R144 V145 I150 S151 L152R144-F148 PolarHBondContact O-N 2.78Å; V145-F148 WeakPolarHBondContact O-CB 3.24Å; V145-F148 PolarHBondContact O-N 3.19Å; V145-F148 VanDerWaalsContact O-N 3.16Å; F148-I150 PolarHBondContact O-N 2.82Å; F148-S151 PolarHBondContact O-N 2.88Å; F148-L152 HydrophobicContact CE1-CD1 4.2Å; F148-L152 WeakPolarHBondContact O-CB 3.46Å; F148-L152 PolarHBondContact O-N 3.38Å
149T93.6Very high89.3Confident47 Ų4775.7 Ų75.729%0.28838%0.38SS..Hα-helixtrans-59.1-46.3174.9-54.20000111.9W60 V145 T146 S151 L152 L153W60-T149 HydrophobicContact CH2-CG2 4.5Å; V145-T149 PolarHBondContact O-N 3.23Å; V145-T149 PolarHBondContact O-OG1 3.19Å; V145-T149 VanDerWaalsContact O-OG1 3.05Å; T146-T149 PolarHBondContact O-N 2.89Å; T149-S151 PolarHBondContact O-N 3.34Å; T149-L152 PolarHBondContact O-N 3.05Å; T149-L153 HydrophobicContact CG2-CD1 4.42Å; T149-L153 WeakPolarHBondContact O-CG 3.12Å; T149-L153 PolarHBondContact O-N 3.25Å
150I94.2Very high90.1Very high8 Ų870.1 Ų70.14%0.04135%0.353CS..Hα-helixtrans-59.2-47.8177-72.9167.9000110.7A59 W60 T63 L119 T146 R147 F148 L152 L153 I154A59-I150 HydrophobicContact CB-CD1 3.9Å; W60-I150 HydrophobicContact CD2-CD1 3.79Å; W60-I150 HydrophobicContact CD2-CG1 3.91Å; W60-I150 HydrophobicContact CE3-CD1 4Å; W60-I150 HydrophobicContact CE3-CG1 3.74Å; W60-I150 HydrophobicContact CG-CD1 4.06Å; W60-I150 HydrophobicContact CH2-CG1 3.9Å; W60-I150 HydrophobicContact CZ2-CG1 4.08Å; W60-I150 HydrophobicContact CZ3-CD1 4.48Å; W60-I150 HydrophobicContact CZ3-CG1 3.74Å; T63-I150 HydrophobicContact CG2-CG2 3.66Å; L119-I150 HydrophobicContact CD2-CG1 4.38Å; L119-I150 HydrophobicContact CD2-CG2 3.97Å; T146-I150 HydrophobicContact CG2-CD1 3.9Å; T146-I150 VanDerWaalsContact O-CG1 3.28Å; T146-I150 WeakPolarHBondContact O-CG1 3.4Å; T146-I150 PolarHBondContact O-N 3.5Å; R147-I150 PolarHBondContact O-N 3.48Å; F148-I150 PolarHBondContact O-N 2.82Å; I150-L152 VanDerWaalsContact C-N 3.31Å; I150-L152 PolarHBondContact O-N 3.07Å; I150-L153 PolarHBondContact O-N 3.18Å; I150-I154 HydrophobicContact CG2-CD1 3.88Å; I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.37Å
151S94.8Very high90.6Very high65 Ų6565.2 Ų65.246%0.45533%0.328SS..Hα-helixtrans-60.7-41.7177.8-167.80000111.7R147 F148 T149 I154 T155R147-S151 WeakPolarHBondContact O-CB 3.34Å; R147-S151 PolarHBondContact O-N 3.29Å; F148-S151 PolarHBondContact O-N 2.88Å; T149-S151 PolarHBondContact O-N 3.34Å; S151-I154 PolarHBondContact O-N 3.45Å; S151-T155 WeakPolarHBondContact O-CB 3.15Å; S151-T155 PolarHBondContact O-N 2.89Å; S151-T155 PolarHBondContact O-OG1 3.21Å
152L95Very high91.4Very high94 Ų9465 Ų6549%0.49233%0.33SS..Hα-helixtrans-63.9-39.9178-175.8142.4000111.8F148 T149 I150 F156F148-L152 HydrophobicContact CE1-CD1 4.2Å; F148-L152 WeakPolarHBondContact O-CB 3.46Å; F148-L152 PolarHBondContact O-N 3.38Å; T149-L152 PolarHBondContact O-N 3.05Å; I150-L152 VanDerWaalsContact C-N 3.31Å; I150-L152 PolarHBondContact O-N 3.07Å; L152-F156 WeakPolarHBondContact O-CB 3.38Å; L152-F156 PolarHBondContact O-N 3.15Å
153L94.8Very high91.9Very high33 Ų3368.8 Ų68.817%0.17334%0.341CS..Hα-helixtrans-64.9-41.5175.7-70.2175.2000112.3W60 L118 T149 I150 S157W60-L153 HydrophobicContact CH2-CD1 3.78Å; W60-L153 HydrophobicContact CZ3-CD1 4.06Å; L118-L153 HydrophobicContact CB-CD2 4.43Å; T149-L153 HydrophobicContact CG2-CD1 4.42Å; T149-L153 WeakPolarHBondContact O-CG 3.12Å; T149-L153 PolarHBondContact O-N 3.25Å; I150-L153 PolarHBondContact O-N 3.18Å; L153-S157 WeakPolarHBondContact O-CB 3.36Å; L153-S157 PolarHBondContact O-N 3.29Å; L153-S157 PolarHBondContact O-OG 2.86Å
154I94.9Very high92.1Very high60 Ų6069.1 Ų69.131%0.30834%0.338SS..Hα-helixtrans-64.9-49.4176.3-64.1165000110.2T63 T115 I150 S151 F156 S157 C158T63-I154 HydrophobicContact CG2-CD1 3.82Å; T115-I154 HydrophobicContact CG2-CG1 3.87Å; I150-I154 HydrophobicContact CG2-CD1 3.88Å; I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.37Å; S151-I154 PolarHBondContact O-N 3.45Å; I154-F156 VanDerWaalsContact C-N 3.33Å; I154-F156 PolarHBondContact O-N 2.82Å; I154-S157 WeakPolarHBondContact CA-OG 3.22Å; I154-S157 PolarHBondContact O-N 3.25Å; I154-S157 PolarHBondContact O-OG 2.87Å; I154-C158 PolarHBondContact O-N 3.4Å
155T95.7Very high92.1Very high73 Ų7359.1 Ų59.145%0.44830%0.301SS..Hα-helixtrans-61.9-43.3178.7-58.60000111.1S151 L159S151-T155 WeakPolarHBondContact O-CB 3.15Å; S151-T155 PolarHBondContact O-N 2.89Å; S151-T155 PolarHBondContact O-OG1 3.21Å; T155-L159 HydrophobicContact CG2-CD1 3.7Å; T155-L159 HydrophobicContact CG2-CG 4.15Å; T155-L159 VanDerWaalsContact O-CB 3.3Å; T155-L159 WeakPolarHBondContact O-CB 3.46Å; T155-L159 VanDerWaalsContact O-CG 3.25Å; T155-L159 WeakPolarHBondContact O-CG 3.14Å; T155-L159 PolarHBondContact O-N 3.24Å
156F94.4Very high92Very high112 Ų11260.2 Ų60.249%0.49130%0.304SS..Hα-helixtrans-59.6-50.3177.7174.7-103.6000111.6L118 L152 I154 C158 L159 S160 F237L118-F156 HydrophobicContact CD1-CD1 3.96Å; L118-F156 HydrophobicContact CD1-CE1 4.34Å; L152-F156 WeakPolarHBondContact O-CB 3.38Å; L152-F156 PolarHBondContact O-N 3.15Å; I154-F156 VanDerWaalsContact C-N 3.33Å; I154-F156 PolarHBondContact O-N 2.82Å; F156-C158 PolarHBondContact O-N 3.27Å; F156-L159 PolarHBondContact O-N 3.45Å; F156-S160 VanDerWaalsContact O-CB 3.29Å; F156-S160 WeakPolarHBondContact O-CB 3.4Å; F156-S160 PolarHBondContact O-N 3.46Å; F156-S160 PolarHBondContact O-OG 3.48Å; F156-F237 HydrophobicContact CD1-CE1 4.46Å; F156-F237 AromaticContact CE1-CE1 3.81Å; F156-F237 HydrophobicContact CE1-CE1 3.81Å; F156-F237 HydrophobicContact CE1-CZ 4.04Å; F156-F237 HydrophobicContact CZ-CZ 4.37Å
157S93.3Very high91.8Very high0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-63.4-41.1-179.745.50000113.4T115 L153 I154 S160 G161T115-S157 PolarHBondContact OG1-OG 3.38Å; L153-S157 WeakPolarHBondContact O-CB 3.36Å; L153-S157 PolarHBondContact O-N 3.29Å; L153-S157 PolarHBondContact O-OG 2.86Å; I154-S157 WeakPolarHBondContact CA-OG 3.22Å; I154-S157 PolarHBondContact O-N 3.25Å; I154-S157 PolarHBondContact O-OG 2.87Å; S157-S160 WeakPolarHBondContact CA-OG 3.32Å; S157-S160 PolarHBondContact O-OG 3.4Å; S157-G161 PolarHBondContact O-N 3.47Å
158C94.3Very high91.2Very high45 Ų4555.1 Ų55.130%0.30429%0.288SS..Hα-helixtrans-69-45176.7-104.30000112C111 I154 F156 G161 I162C111-C158 HydrophobicContact CB-CB 4.15Å; C111-C158 WeakPolarHBondContact CB-SG 3.12Å; C111-C158 WeakPolarHBondContact SG-CA 3.3Å; C111-C158 WeakPolarHBondContact SG-CB 3.17Å; C111-C158 CovalentContact SG-SG 2.04Å; C111-C158 PolarHBondContact SG-SG 2.87Å; I154-C158 PolarHBondContact O-N 3.4Å; F156-C158 PolarHBondContact O-N 3.27Å; C158-G161 PolarHBondContact O-N 2.95Å; C158-I162 WeakPolarHBondContact O-CB 3.35Å; C158-I162 WeakPolarHBondContact O-CD1 3.22Å; C158-I162 WeakPolarHBondContact O-CG1 3.32Å; C158-I162 PolarHBondContact O-N 2.84Å
159L94.8Very high90.6Very high108 Ų10849.3 Ų49.357%0.56527%0.266SS*.Hα-helixtrans-64.6-42.8177.7-72.1178.6000111.9T155 F156 G161 F163T155-L159 HydrophobicContact CG2-CD1 3.7Å; T155-L159 HydrophobicContact CG2-CG 4.15Å; T155-L159 VanDerWaalsContact O-CB 3.3Å; T155-L159 WeakPolarHBondContact O-CB 3.46Å; T155-L159 VanDerWaalsContact O-CG 3.25Å; T155-L159 WeakPolarHBondContact O-CG 3.14Å; T155-L159 PolarHBondContact O-N 3.24Å; F156-L159 PolarHBondContact O-N 3.45Å; L159-G161 VanDerWaalsContact C-N 3.33Å; L159-F163 VanDerWaalsContact O-CB 3.25Å; L159-F163 WeakPolarHBondContact O-CB 3.46Å; L159-F163 PolarHBondContact O-N 2.99Å
160S91.3Very high90.1Very high18 Ų1849.3 Ų49.313%0.12626%0.262CS..Hα-helixtrans-63.7-41.7176.162.70000110.8W114 F156 S157 F163 I164 F237W114-S160 VanDerWaalsContact CE3-OG 3.25Å; W114-S160 WeakPolarHBondContact CZ3-OG 3.46Å; F156-S160 VanDerWaalsContact O-CB 3.29Å; F156-S160 WeakPolarHBondContact O-CB 3.4Å; F156-S160 PolarHBondContact O-N 3.46Å; F156-S160 PolarHBondContact O-OG 3.48Å; S157-S160 WeakPolarHBondContact CA-OG 3.32Å; S157-S160 PolarHBondContact O-OG 3.4Å; S160-F163 PolarHBondContact O-N 2.88Å; S160-I164 WeakPolarHBondContact O-CB 3.49Å; S160-I164 VanDerWaalsContact O-CG1 3.23Å; S160-I164 WeakPolarHBondContact O-CG1 3.39Å; S160-I164 PolarHBondContact O-N 2.95Å; S160-F237 VanDerWaalsContact OG-CZ 3.27Å; S160-F237 WeakPolarHBondContact OG-CZ 3.14Å
161G89.1Confident89.4Confident0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-60.9-50.6177.600000111.7S157 C158 L159 F163 I164 T165S157-G161 PolarHBondContact O-N 3.47Å; C158-G161 PolarHBondContact O-N 2.95Å; L159-G161 VanDerWaalsContact C-N 3.33Å; G161-F163 PolarHBondContact O-N 2.95Å; G161-I164 PolarHBondContact O-N 3.39Å; G161-T165 WeakPolarHBondContact O-CB 3.46Å; G161-T165 PolarHBondContact O-N 3.13Å; G161-T165 PolarHBondContact O-OG1 3.03Å
162I91.5Very high88.2Confident66 Ų6648.3 Ų48.334%0.33825%0.254SS..Hα-helixtrans-57-51.7176.1-67.7163.5000110.9I107 C158 I164 T165 I166I107-I162 HydrophobicContact CG2-CG1 3.6Å; C158-I162 WeakPolarHBondContact O-CB 3.35Å; C158-I162 WeakPolarHBondContact O-CD1 3.22Å; C158-I162 WeakPolarHBondContact O-CG1 3.32Å; C158-I162 PolarHBondContact O-N 2.84Å; I162-I164 PolarHBondContact O-N 3.35Å; I162-T165 PolarHBondContact O-N 2.88Å; I162-I166 HydrophobicContact CG2-CD1 3.57Å; I162-I166 HydrophobicContact CG2-CG1 4.45Å; I162-I166 WeakPolarHBondContact O-CB 3.38Å; I162-I166 VanDerWaalsContact O-CG1 3.26Å; I162-I166 WeakPolarHBondContact O-CG1 3.29Å; I162-I166 PolarHBondContact O-N 3.48Å
163F90Very high86.8Confident141 Ų14147.9 Ų47.962%0.61826%0.259SS*.Hα-helixtrans-60.2-49.3-177.2179-99.3000111.5L159 S160 G161 T165 I166 V167L159-F163 VanDerWaalsContact O-CB 3.25Å; L159-F163 WeakPolarHBondContact O-CB 3.46Å; L159-F163 PolarHBondContact O-N 2.99Å; S160-F163 PolarHBondContact O-N 2.88Å; G161-F163 PolarHBondContact O-N 2.95Å; F163-T165 PolarHBondContact O-N 2.88Å; F163-I166 PolarHBondContact O-N 3.41Å; F163-V167 HydrophobicContact CD1-CG2 4.36Å; F163-V167 HydrophobicContact CD2-CG2 4.38Å; F163-V167 HydrophobicContact CE1-CG2 4.03Å; F163-V167 HydrophobicContact CE2-CG2 4.05Å; F163-V167 HydrophobicContact CZ-CG2 3.86Å; F163-V167 WeakPolarHBondContact O-CB 3.34Å; F163-V167 VanDerWaalsContact O-CG2 3.24Å; F163-V167 WeakPolarHBondContact O-CG2 3.07Å; F163-V167 PolarHBondContact O-N 3.41Å
164I85.5Confident85.3Confident24 Ų2448.1 Ų48.112%0.12326%0.264CS..Hα-helixtrans-64.4-41.1-177.7-75.6172.6000111.2W114 S160 G161 I162 V167 S168 V229 F237W114-I164 HydrophobicContact CH2-CB 4.37Å; W114-I164 HydrophobicContact CH2-CD1 3.5Å; W114-I164 HydrophobicContact CH2-CG1 4.48Å; W114-I164 HydrophobicContact CH2-CG2 4.37Å; W114-I164 HydrophobicContact CZ3-CD1 3.92Å; S160-I164 WeakPolarHBondContact O-CB 3.49Å; S160-I164 VanDerWaalsContact O-CG1 3.23Å; S160-I164 WeakPolarHBondContact O-CG1 3.39Å; S160-I164 PolarHBondContact O-N 2.95Å; G161-I164 PolarHBondContact O-N 3.39Å; I162-I164 PolarHBondContact O-N 3.35Å; I164-V167 PolarHBondContact O-N 2.8Å; I164-S168 WeakPolarHBondContact O-CB 3.18Å; I164-S168 PolarHBondContact O-N 2.93Å; I164-S168 PolarHBondContact O-OG 3.17Å; I164-V229 HydrophobicContact CG2-CB 4.06Å; I164-V229 HydrophobicContact CG2-CG1 3.16Å; I164-V229 HydrophobicContact CG2-CG2 3.88Å; I164-F237 HydrophobicContact CD1-CE2 4.28Å
165T85.9Confident83.7Confident4 Ų449.9 Ų49.93%0.02527%0.274CS..Hα-helixtrans-67.7-41.4177.6-56.40000112L103 V106 I107 G161 I162 F163 V167 S168 S169L103-T165 HydrophobicContact CD2-CG2 3.66Å; V106-T165 HydrophobicContact CB-CG2 4.18Å; V106-T165 HydrophobicContact CG1-CG2 3.85Å; I107-T165 HydrophobicContact CD1-CG2 4.33Å; I107-T165 HydrophobicContact CG1-CG2 3.76Å; G161-T165 WeakPolarHBondContact O-CB 3.46Å; G161-T165 PolarHBondContact O-N 3.13Å; G161-T165 PolarHBondContact O-OG1 3.03Å; I162-T165 PolarHBondContact O-N 2.88Å; F163-T165 PolarHBondContact O-N 2.88Å; T165-V167 VanDerWaalsContact C-N 3.34Å; T165-V167 PolarHBondContact O-N 2.86Å; T165-S168 PolarHBondContact O-N 2.89Å; T165-S168 PolarHBondContact O-OG 3.25Å; T165-S169 WeakPolarHBondContact O-CB 3.18Å; T165-S169 PolarHBondContact O-N 2.87Å
166I86.2Confident82.1Confident83 Ų8346.8 Ų46.843%0.42625%0.254SS..Hα-helixtrans-67.2-34.5178.1-69.1171.4000112.2I162 F163 R210I162-I166 HydrophobicContact CG2-CD1 3.57Å; I162-I166 HydrophobicContact CG2-CG1 4.45Å; I162-I166 WeakPolarHBondContact O-CB 3.38Å; I162-I166 VanDerWaalsContact O-CG1 3.26Å; I162-I166 WeakPolarHBondContact O-CG1 3.29Å; I162-I166 PolarHBondContact O-N 3.48Å; F163-I166 PolarHBondContact O-N 3.41Å; I166-R210 PolarHBondContact O-NH1 2.97Å
167V84Confident80.6Confident23 Ų2345.5 Ų45.514%0.13925%0.249CC..Hα-helixtrans-73.2-39.8178.1169.20000111.3F163 I164 T165 L215 L225F163-V167 HydrophobicContact CD1-CG2 4.36Å; F163-V167 HydrophobicContact CD2-CG2 4.38Å; F163-V167 HydrophobicContact CE1-CG2 4.03Å; F163-V167 HydrophobicContact CE2-CG2 4.05Å; F163-V167 HydrophobicContact CZ-CG2 3.86Å; F163-V167 WeakPolarHBondContact O-CB 3.34Å; F163-V167 VanDerWaalsContact O-CG2 3.24Å; F163-V167 WeakPolarHBondContact O-CG2 3.07Å; F163-V167 PolarHBondContact O-N 3.41Å; I164-V167 PolarHBondContact O-N 2.8Å; T165-V167 VanDerWaalsContact C-N 3.34Å; T165-V167 PolarHBondContact O-N 2.86Å; V167-L215 HydrophobicContact CG1-CD2 3.96Å; V167-L225 HydrophobicContact CG1-CD2 4.38Å
168S79.2Confident79Confident8 Ų849 Ų496%0.05627%0.267CS..Hα-helixtrans-83.3-30.3-176.953.50000114.4I164 T165 R210I164-S168 WeakPolarHBondContact O-CB 3.18Å; I164-S168 PolarHBondContact O-N 2.93Å; I164-S168 PolarHBondContact O-OG 3.17Å; T165-S168 PolarHBondContact O-N 2.89Å; T165-S168 PolarHBondContact O-OG 3.25Å; S168-R210 PolarHBondContact O-N 3.49Å
169S81.1Confident77.2Confident23 Ų2351.5 Ų51.516%0.16128%0.276CS..EExtended strand (participates in β ladder)trans-133.1146.9-164.7-54.70000111.7T165 E208T165-S169 WeakPolarHBondContact O-CB 3.18Å; T165-S169 PolarHBondContact O-N 2.87Å; S169-E208 WeakPolarHBondContact CA-O 3.29Å
170K82.1Confident75.3Confident48 Ų4848 Ų4821%0.20926%0.259CS..EExtended strand (participates in β ladder)trans-123.5152.4172.565.5-179.9170.2166.50109.9E208 E214K170-E208 HydrophobicContact CD-CB 4.34Å; K170-E208 WeakPolarHBondContact CE-OE2 3.36Å; K170-E208 HydrophobicContact CG-CB 3.67Å; K170-E208 PolarHBondContact N-O 3.43Å; K170-E208 IonicContact NZ-OE2 2.89Å; K170-E208 PolarHBondContact NZ-OE2 3.39Å; K170-E208 PolarHBondContact O-N 3.28Å; K170-E208 VanDerWaalsContact O-N 3.12Å; K170-E214 IonicContact NZ-OE1 2.84Å; K170-E214 PolarHBondContact NZ-OE1 3.35Å; K170-E214 IonicContact NZ-OE2 3.56Å
171P79.3Confident73.4Confident41 Ų4153.9 Ų53.927%0.26629%0.289SS..  trans-62.4148.3174.929.2-33.2000109.2R99 Y100 L103 S173R99-P171 HydrophobicContact CB-CB 4.27Å; R99-P171 WeakPolarHBondContact O-CB 3.32Å; Y100-P171 HydrophobicContact CD1-CB 4.32Å; Y100-P171 HydrophobicContact CD1-CG 4.4Å; Y100-P171 HydrophobicContact CE1-CB 4.44Å; Y100-P171 HydrophobicContact CE1-CG 4.05Å; L103-P171 HydrophobicContact CD1-CB 4.16Å; L103-P171 HydrophobicContact CD1-CG 4.34Å; P171-S173 PolarHBondContact O-N 2.92Å
172S70.8Confident71.5Confident10 Ų1059.8 Ų59.87%0.0732%0.321CS..  trans-55.8134176.5-177.80000110.5S174 A203S172-S174 VanDerWaalsContact C-N 3.3Å; S172-S174 PolarHBondContact OG-OG 3.37Å; S172-A203 WeakPolarHBondContact CB-O 3.45Å
173S64.4Low69.2Low86 Ų8663.8 Ų63.860%0.60134%0.343SS*.SBendtrans-76-20.2-178.159.10000112.6P171 E208P171-S173 PolarHBondContact O-N 2.92Å; S173-E208 WeakPolarHBondContact CB-OE1 3.37Å; S173-E208 PolarHBondContact N-OE1 3.46Å; S173-E208 PolarHBondContact OG-OE1 2.96Å
174S63.9Low67Low38 Ų3863.5 Ų63.527%0.26635%0.346SS..SBendtrans-74.3150.6-179.259.10000112.4S172 I176 D200 A203S172-S174 VanDerWaalsContact C-N 3.3Å; S172-S174 PolarHBondContact OG-OG 3.37Å; S174-I176 PolarHBondContact O-N 2.81Å; S174-D200 PolarHBondContact OG-OD2 3.03Å; S174-A203 WeakPolarHBondContact OG-CB 3.35Å
175N61.5Low65Low96 Ų9667 Ų6751%0.51338%0.379SS..  trans-71113.1172-76.3-34.8000108.6R99 F177R99-N175 PolarHBondContact NH2-OD1 3.1Å; N175-F177 PolarHBondContact O-N 3.01Å; N175-F177 VanDerWaalsContact O-N 3.13Å
176I62.2Low63Low8 Ų874.2 Ų74.24%0.04142%0.417CS..SBendtrans-48.9-39172.7-70171.4000111.7G98 R99 S174 I199 D200 L204G98-I176 WeakPolarHBondContact O-CD1 3.25Å; R99-I176 HydrophobicContact CB-CD1 4.37Å; R99-I176 HydrophobicContact CG-CD1 3.94Å; R99-I176 HydrophobicContact CG-CG1 4.38Å; S174-I176 PolarHBondContact O-N 2.81Å; I176-I199 WeakPolarHBondContact O-CA 3.25Å; I176-D200 PolarHBondContact O-N 3.46Å; I176-L204 HydrophobicContact CB-CG 4.44Å; I176-L204 HydrophobicContact CD1-CD2 3.88Å; I176-L204 HydrophobicContact CD1-CG 4.33Å; I176-L204 HydrophobicContact CG1-CD2 4.2Å; I176-L204 HydrophobicContact CG1-CG 4.1Å; I176-L204 HydrophobicContact CG2-CD1 3.71Å; I176-L204 HydrophobicContact CG2-CD2 3.72Å; I176-L204 HydrophobicContact CG2-CG 3.64Å
177F61.3Low61Low86 Ų8677.6 Ų77.638%0.37743%0.431SS..EExtended strand (participates in β ladder)trans-103.8102.2176.1-57-77.2000108.8N95 N175 Y197 I199N95-F177 WeakPolarHBondContact OD1-CZ 3.23Å; N175-F177 PolarHBondContact O-N 3.01Å; N175-F177 VanDerWaalsContact O-N 3.13Å; F177-Y197 HydrophobicContact CB-CD1 4.09Å; F177-I199 HydrophobicContact CD1-CG1 4.05Å; F177-I199 HydrophobicContact CE1-CD1 4.17Å; F177-I199 HydrophobicContact CE1-CG1 4.09Å
178I60.6Low59.1Low73 Ų7382.5 Ų82.537%0.37446%0.456SS..EExtended strand (participates in β ladder)trans-83.3122.2171.8-58173.4000106.7T180 Y197 T198 D200I178-T180 PolarHBondContact O-N 2.87Å; I178-Y197 CarbonylContact O-C 3.33Å; I178-Y197 WeakPolarHBondContact O-CA 3.18Å; I178-T198 WeakPolarHBondContact CB-O 3.32Å; I178-T198 PolarHBondContact N-O 2.95Å; I178-T198 PolarHBondContact O-N 3.26Å; I178-D200 HydrophobicContact CD1-CB 3.92Å; I178-D200 HydrophobicContact CG1-CB 4.36Å
179I56.6Low57.4Low97 Ų9791.5 Ų91.550%0.49750%0.496SS..EExtended strand (participates in β ladder)trans-74.4105.5167.3-59.4171.3000106.2N181 Y197I179-N181 PolarHBondContact O-N 3.33Å; I179-N181 VanDerWaalsContact O-N 3.07Å; I179-Y197 HydrophobicContact CD1-CE1 4.46Å; I179-Y197 HydrophobicContact CG1-CD1 4.02Å; I179-Y197 HydrophobicContact CG1-CE1 3.8Å
180T55.7Low55.7Low34 Ų3496.8 Ų96.821%0.20952%0.523CS..  trans-73.197.2165.638.90000108.1I178 D182 N196 T198I178-T180 PolarHBondContact O-N 2.87Å; T180-D182 PolarHBondContact O-N 2.93Å; T180-D182 VanDerWaalsContact O-N 3.09Å; T180-N196 PolarHBondContact N-O 3.34Å; T180-N196 PolarHBondContact OG1-O 3.06Å; T180-T198 HydrophobicContact CG2-CG2 3.42Å; T180-T198 VanDerWaalsContact CG2-CG2 3.42Å; T180-T198 WeakPolarHBondContact CG2-OG1 3.21Å
181N50.2Low53.8Low143 Ų143101.8 Ų101.877%0.76555%0.552SS**  trans-80.262.7159.1-86.3-3.6000108.2I179 N183I179-N181 PolarHBondContact O-N 3.33Å; I179-N181 VanDerWaalsContact O-N 3.07Å; N181-N183 VanDerWaalsContact C-N 3.33Å; N181-N183 PolarHBondContact O-N 3.1Å
182D49Very low52.2Low123 Ų123106.9 Ų106.966%0.65858%0.577SS**  trans-78.490.2172.7-75.7-16.7000108.5T180 I184T180-D182 PolarHBondContact O-N 2.93Å; T180-D182 VanDerWaalsContact O-N 3.09Å; D182-I184 PolarHBondContact O-N 3.49Å
183N43.4Very low51Low150 Ų150112.8 Ų112.880%0.80261%0.613SS**SBendtrans63.141.2142.4-58.6-28.2000120.1N181N181-N183 VanDerWaalsContact C-N 3.33Å; N181-N183 PolarHBondContact O-N 3.1Å
184I44.7Very low50.3Low135 Ų135115.4 Ų115.469%0.69262%0.619SS**  trans-12956156.8-45178.6000110.7D182 H187D182-I184 PolarHBondContact O-N 3.49Å; I184-H187 WeakPolarHBondContact CG2-O 3.32Å
185A42.8Very low49.6Very low98 Ų98116.9 Ų116.981%0.8163%0.626SS**SBendtrans-95.96.4162.200000112.5
186N43.8Very low49.1Very low156 Ų156117.5 Ų117.583%0.83463%0.629SS**SBendtrans-131.712.5-178.3-87.5-16.4000116
187H44Very low48.7Very low154 Ų154123.2 Ų123.271%0.71365%0.651SS**SBendtrans-156.2119171.7-113.2-79.3000113.2I184I184-H187 WeakPolarHBondContact CG2-O 3.32Å
188L45.1Very low48.8Very low126 Ų126122 Ų12266%0.6665%0.651SS**  trans67105.6175.8-76.285.7000114.6N190L188-N190 PolarHBondContact O-N 2.86Å
189H42.4Very low49Very low196 Ų196120.5 Ų120.591%0.90764%0.643SS**  37.850.460.2-121.8-52.8000113.1
190N46.3Very low49.6Very low135 Ų135118 Ų11872%0.72263%0.631SS**  trans-157.6134.7150.7-115.6-17.8000112.4L188 N192L188-N190 PolarHBondContact O-N 2.86Å; N190-N192 PolarHBondContact O-N 2.92Å; N190-N192 VanDerWaalsContact O-N 3.15Å
191N41.5Very low50Low152 Ų152120.7 Ų120.781%0.81364%0.638SS**SBendtrans-57.1109.9-177.6-66.6-32.4000111.6
192N45.9Very low50.6Low149 Ų149120.5 Ų120.580%0.79763%0.633SS**  trans160.275149.3-82.6-13.6000108.1N190 I194N190-N192 PolarHBondContact O-N 2.92Å; N190-N192 VanDerWaalsContact O-N 3.15Å; N192-I194 VanDerWaalsContact C-N 3.28Å; N192-I194 PolarHBondContact O-N 2.69Å
193T46.1Very low51.1Low134 Ų134115 Ų11582%0.82260%0.604SS**  trans-70.389171.348.10000108.8T195T193-T195 PolarHBondContact O-N 2.89Å; T193-T195 VanDerWaalsContact O-N 3.09Å
194I48.8Very low52.1Low141 Ų141108 Ų10872%0.72357%0.567SS**  trans-67.3102.5162.9-59.4175000105.5N192 N196N192-I194 VanDerWaalsContact C-N 3.28Å; N192-I194 PolarHBondContact O-N 2.69Å; I194-N196 WeakPolarHBondContact CG2-OD1 3.11Å; I194-N196 PolarHBondContact O-N 3.02Å
195T49.2Very low53.1Low69 Ų69103.5 Ų103.542%0.42355%0.546SS..  trans-6899.7168.339.10000107.8T193 Y197T193-T195 PolarHBondContact O-N 2.89Å; T193-T195 VanDerWaalsContact O-N 3.09Å; T195-Y197 VanDerWaalsContact O-CD2 3.24Å; T195-Y197 WeakPolarHBondContact O-CD2 3.26Å; T195-Y197 WeakPolarHBondContact O-CE2 3.31Å; T195-Y197 PolarHBondContact O-N 3.39Å; T195-Y197 WeakPolarHBondContact OG1-CE2 3.31Å; T195-Y197 PolarHBondContact OG1-OH 3.43Å
196N50.5Low54.3Low108 Ų108101.1 Ų101.158%0.57852%0.523SS*.  trans-72.6114.7168-78.9-11.2000107.6T180 I194T180-N196 PolarHBondContact N-O 3.34Å; T180-N196 PolarHBondContact OG1-O 3.06Å; I194-N196 WeakPolarHBondContact CG2-OD1 3.11Å; I194-N196 PolarHBondContact O-N 3.02Å
197Y54.9Low55.6Low128 Ų12895.1 Ų95.150%0.50249%0.493SS..EExtended strand (participates in β ladder)trans-92.1123.5169.9-60.3-87.7000107.8F177 I178 I179 T195F177-Y197 HydrophobicContact CB-CD1 4.09Å; I178-Y197 CarbonylContact O-C 3.33Å; I178-Y197 WeakPolarHBondContact O-CA 3.18Å; I179-Y197 HydrophobicContact CD1-CE1 4.46Å; I179-Y197 HydrophobicContact CG1-CD1 4.02Å; I179-Y197 HydrophobicContact CG1-CE1 3.8Å; T195-Y197 VanDerWaalsContact O-CD2 3.24Å; T195-Y197 WeakPolarHBondContact O-CD2 3.26Å; T195-Y197 WeakPolarHBondContact O-CE2 3.31Å; T195-Y197 PolarHBondContact O-N 3.39Å; T195-Y197 WeakPolarHBondContact OG1-CE2 3.31Å; T195-Y197 PolarHBondContact OG1-OH 3.43Å
198T63.8Low56.9Low62 Ų6290.2 Ų90.238%0.3847%0.471SS..EExtended strand (participates in β ladder)trans-91.9132.1163.656.80000108.7I178 T180I178-T198 WeakPolarHBondContact CB-O 3.32Å; I178-T198 PolarHBondContact N-O 2.95Å; I178-T198 PolarHBondContact O-N 3.26Å; T180-T198 HydrophobicContact CG2-CG2 3.42Å; T180-T198 VanDerWaalsContact CG2-CG2 3.42Å; T180-T198 WeakPolarHBondContact CG2-OG1 3.21Å
199I64.7Low58Low40 Ų4088.6 Ų88.621%0.20546%0.456CS..EExtended strand (participates in β ladder)trans-88.3123.6-179.2-64.7177.6000108.6I91 I176 F177 Y201 L204I91-I199 HydrophobicContact CD1-CD1 4.35Å; I91-I199 HydrophobicContact CG1-CD1 3.97Å; I91-I199 HydrophobicContact CG2-CD1 4.31Å; I176-I199 WeakPolarHBondContact O-CA 3.25Å; F177-I199 HydrophobicContact CD1-CG1 4.05Å; F177-I199 HydrophobicContact CE1-CD1 4.17Å; F177-I199 HydrophobicContact CE1-CG1 4.09Å; I199-Y201 HydrophobicContact CB-CE2 4.2Å; I199-Y201 HydrophobicContact CG2-CD1 4.28Å; I199-Y201 HydrophobicContact CG2-CE1 4.23Å; I199-Y201 HydrophobicContact CG2-CE2 4.45Å; I199-Y201 HydrophobicContact CG2-CG 4.43Å; I199-Y201 WeakPolarHBondContact O-CD2 3.44Å; I199-Y201 WeakPolarHBondContact O-CE2 3.36Å; I199-Y201 PolarHBondContact O-N 2.83Å; I199-Y201 VanDerWaalsContact O-N 3.09Å; I199-L204 HydrophobicContact CG2-CD1 3.11Å
200D68.1Low59.4Low45 Ų4582.9 Ų82.924%0.24143%0.426CS..  trans-77.391.9169.8-172.8-11000109S174 I176 I178 E202 A203 L204S174-D200 PolarHBondContact OG-OD2 3.03Å; I176-D200 PolarHBondContact O-N 3.46Å; I178-D200 HydrophobicContact CD1-CB 3.92Å; I178-D200 HydrophobicContact CG1-CB 4.36Å; D200-E202 VanDerWaalsContact C-N 3.27Å; D200-E202 PolarHBondContact O-N 3.11Å; D200-E202 PolarHBondContact OD1-N 3.24Å; D200-A203 HydrophobicContact CB-CB 3.89Å; D200-A203 VanDerWaalsContact CG-CB 3.47Å; D200-A203 WeakPolarHBondContact O-CB 3.48Å; D200-A203 PolarHBondContact O-N 3.42Å; D200-A203 PolarHBondContact OD1-N 3.07Å; D200-A203 WeakPolarHBondContact OD2-CB 3.42Å; D200-L204 PolarHBondContact O-N 3.26Å
201Y64.5Low60.3Low90 Ų9081.2 Ų81.235%0.35342%0.417SS..Hα-helixtrans-64-32.8-179-67.6-83.8000112.2H87 I91 I199 A203 L204 V205H87-Y201 HydrophobicContact CB-CE1 4.06Å; H87-Y201 AromaticContact ND1-CD1 3.67Å; H87-Y201 AromaticContact ND1-CE1 3.73Å; I91-Y201 HydrophobicContact CD1-CE1 3.7Å; I91-Y201 HydrophobicContact CG1-CE1 3.72Å; I199-Y201 HydrophobicContact CB-CE2 4.2Å; I199-Y201 HydrophobicContact CG2-CD1 4.28Å; I199-Y201 HydrophobicContact CG2-CE1 4.23Å; I199-Y201 HydrophobicContact CG2-CE2 4.45Å; I199-Y201 HydrophobicContact CG2-CG 4.43Å; I199-Y201 WeakPolarHBondContact O-CD2 3.44Å; I199-Y201 WeakPolarHBondContact O-CE2 3.36Å; I199-Y201 PolarHBondContact O-N 2.83Å; I199-Y201 VanDerWaalsContact O-N 3.09Å; Y201-A203 VanDerWaalsContact C-N 3.34Å; Y201-L204 WeakPolarHBondContact O-CB 3.45Å; Y201-L204 PolarHBondContact O-N 2.74Å; Y201-V205 WeakPolarHBondContact O-CG2 3.23Å; Y201-V205 PolarHBondContact O-N 3.22Å
202E62.3Low61.3Low139 Ų13974.4 Ų74.465%0.6538%0.382SS*.Hα-helixtrans-67.8-40.7-179.3-169.9173.7177.400110.4D200 L204 V205 S206D200-E202 VanDerWaalsContact C-N 3.27Å; D200-E202 PolarHBondContact O-N 3.11Å; D200-E202 PolarHBondContact OD1-N 3.24Å; E202-L204 VanDerWaalsContact C-N 3.28Å; E202-L204 PolarHBondContact O-N 3.35Å; E202-V205 PolarHBondContact O-N 3.17Å; E202-S206 WeakPolarHBondContact O-CB 3.16Å; E202-S206 PolarHBondContact O-N 3.12Å; E202-S206 PolarHBondContact O-OG 3.02Å
203A61Low62Low8 Ų870.5 Ų70.57%0.06636%0.363CS..Hα-helixtrans-63.2-30.7173.400000114.4S172 S174 D200 Y201S172-A203 WeakPolarHBondContact CB-O 3.45Å; S174-A203 WeakPolarHBondContact OG-CB 3.35Å; D200-A203 HydrophobicContact CB-CB 3.89Å; D200-A203 VanDerWaalsContact CG-CB 3.47Å; D200-A203 WeakPolarHBondContact O-CB 3.48Å; D200-A203 PolarHBondContact O-N 3.42Å; D200-A203 PolarHBondContact OD1-N 3.07Å; D200-A203 WeakPolarHBondContact OD2-CB 3.42Å; Y201-A203 VanDerWaalsContact C-N 3.34Å
204L64.5Low63Low4 Ų468.7 Ų68.72%0.02135%0.345CS..Hα-helixtrans-74.2-34.3179.1-89156.4000113.5I176 I199 D200 Y201 E202I176-L204 HydrophobicContact CB-CG 4.44Å; I176-L204 HydrophobicContact CD1-CD2 3.88Å; I176-L204 HydrophobicContact CD1-CG 4.33Å; I176-L204 HydrophobicContact CG1-CD2 4.2Å; I176-L204 HydrophobicContact CG1-CG 4.1Å; I176-L204 HydrophobicContact CG2-CD1 3.71Å; I176-L204 HydrophobicContact CG2-CD2 3.72Å; I176-L204 HydrophobicContact CG2-CG 3.64Å; I199-L204 HydrophobicContact CG2-CD1 3.11Å; D200-L204 PolarHBondContact O-N 3.26Å; Y201-L204 WeakPolarHBondContact O-CB 3.45Å; Y201-L204 PolarHBondContact O-N 2.74Å; E202-L204 VanDerWaalsContact C-N 3.28Å; E202-L204 PolarHBondContact O-N 3.35Å
205V65.2Low63.9Low39 Ų3965 Ų6524%0.23633%0.327CS..Hα-helixtrans-89-33.6-175.8-175.90000111.4H90 Y201 E202H90-V205 HydrophobicContact CB-CG2 4.3Å; H90-V205 VanDerWaalsContact CD2-CG2 3.45Å; H90-V205 WeakPolarHBondContact CD2-CG2 3.31Å; Y201-V205 WeakPolarHBondContact O-CG2 3.23Å; Y201-V205 PolarHBondContact O-N 3.22Å; E202-V205 PolarHBondContact O-N 3.17Å
206S67Low64.8Low48 Ų4867.6 Ų67.634%0.33633%0.332SS..PPolyproline II helixtrans-92.7142.1-171.164.50000113.6E202E202-S206 WeakPolarHBondContact O-CB 3.16Å; E202-S206 PolarHBondContact O-N 3.12Å; E202-S206 PolarHBondContact O-OG 3.02Å
207C71.7Confident65.3Low31 Ų3164 Ų6421%0.20932%0.321CS..PPolyproline II helixtrans-99.2130.7161.7-73.10000107.2C102C102-C207 HydrophobicContact CB-CB 4.21Å; C102-C207 WeakPolarHBondContact CB-SG 3.38Å; C102-C207 VanDerWaalsContact SG-CA 3.56Å; C102-C207 WeakPolarHBondContact SG-CB 3.39Å; C102-C207 PolarHBondContact SG-N 3.49Å; C102-C207 CovalentContact SG-SG 2.03Å; C102-C207 PolarHBondContact SG-SG 3.41Å
208E70.4Confident65.5Low51 Ų5165.5 Ų65.524%0.23834%0.338CS..EExtended strand (participates in β ladder)trans-70.8136.1172.5-74177.1-153.900109S169 K170 S173S169-E208 WeakPolarHBondContact CA-O 3.29Å; K170-E208 HydrophobicContact CD-CB 4.34Å; K170-E208 WeakPolarHBondContact CE-OE2 3.36Å; K170-E208 HydrophobicContact CG-CB 3.67Å; K170-E208 PolarHBondContact N-O 3.43Å; K170-E208 IonicContact NZ-OE2 2.89Å; K170-E208 PolarHBondContact NZ-OE2 3.39Å; K170-E208 PolarHBondContact O-N 3.28Å; K170-E208 VanDerWaalsContact O-N 3.12Å; S173-E208 WeakPolarHBondContact CB-OE1 3.37Å; S173-E208 PolarHBondContact N-OE1 3.46Å; S173-E208 PolarHBondContact OG-OE1 2.96Å
209R69.9Low65.2Low91 Ų9166 Ų6634%0.34334%0.341SS..EExtended strand (participates in β ladder)trans-67.1138.1172.1-65-173.2-167.4176.516.2109.4D224 T226 E318 G319R209-D224 IonicContact NH1-OD2 3.77Å; R209-T226 WeakPolarHBondContact CD-OG1 3.15Å; R209-E318 PolarHBondContact NH1-O 3.42Å; R209-E318 PolarHBondContact NH2-O 3.2Å; R209-G319 PolarHBondContact NH2-O 2.81Å
210R71.7Confident64.7Low77 Ų7773.7 Ų73.729%0.29138%0.375SS..PPolyproline II helixtrans-82.3120.5175-154.8170.4-162.6160.11.6109.5I166 S168 E214I166-R210 PolarHBondContact O-NH1 2.97Å; S168-R210 PolarHBondContact O-N 3.49Å; R210-E214 WeakPolarHBondContact CG-OE2 3.13Å; R210-E214 IonicContact NE-OE2 2.74Å
211N65.1Low64.2Low100 Ų10078.2 Ų78.254%0.53540%0.395SS..PPolyproline II helixtrans-70.3140.2175.7-75.3-15.6000110T213 E214N211-T213 PolarHBondContact O-N 3.44Å; N211-T213 VanDerWaalsContact O-N 3.15Å; N211-E214 HydrophobicContact CB-CG 4.49Å; N211-E214 WeakPolarHBondContact O-CB 3.3Å; N211-E214 PolarHBondContact O-N 3.31Å
212S63Low64Low9 Ų979.3 Ų79.36%0.06342%0.416CS..Hα-helixtrans-56.5-30.917855.90000112.9E214 L215 F216 I223S212-E214 VanDerWaalsContact C-N 3.28Å; S212-E214 PolarHBondContact O-N 3.11Å; S212-L215 PolarHBondContact O-N 3.11Å; S212-L215 VanDerWaalsContact O-N 3.13Å; S212-F216 PolarHBondContact O-N 3.18Å; S212-I223 VanDerWaalsContact CB-O 3.32Å; S212-I223 WeakPolarHBondContact CB-O 3.33Å
213T60.1Low64.2Low67 Ų6776.7 Ų76.741%0.41141%0.405SS..Hα-helixtrans-63.8-29.9177.853.20000113.1N211 L215 G217N211-T213 PolarHBondContact O-N 3.44Å; N211-T213 VanDerWaalsContact O-N 3.15Å; T213-L215 VanDerWaalsContact C-N 3.35Å; T213-G217 WeakPolarHBondContact CA-O 3.32Å; T213-G217 WeakPolarHBondContact O-CA 3.46Å; T213-G217 PolarHBondContact O-N 3.16Å
214E66.9Low64.6Low95 Ų9579.6 Ų79.644%0.44442%0.42SS..Hα-helixtrans-73.2-27.9175.3-66.3-178.5-17700112.3K170 R210 N211 S212K170-E214 IonicContact NZ-OE1 2.84Å; K170-E214 PolarHBondContact NZ-OE1 3.35Å; K170-E214 IonicContact NZ-OE2 3.56Å; R210-E214 WeakPolarHBondContact CG-OE2 3.13Å; R210-E214 IonicContact NE-OE2 2.74Å; N211-E214 HydrophobicContact CB-CG 4.49Å; N211-E214 WeakPolarHBondContact O-CB 3.3Å; N211-E214 PolarHBondContact O-N 3.31Å; S212-E214 VanDerWaalsContact C-N 3.28Å; S212-E214 PolarHBondContact O-N 3.11Å
215L66.9Low65Low64 Ų6479.8 Ų79.834%0.33542%0.421SS..Hα-helixtrans-97.3-38.6-174.2-151.387.2000112.9V167 S212 T213 L225V167-L215 HydrophobicContact CG1-CD2 3.96Å; S212-L215 PolarHBondContact O-N 3.11Å; S212-L215 VanDerWaalsContact O-N 3.13Å; T213-L215 VanDerWaalsContact C-N 3.35Å; L215-L225 HydrophobicContact CB-CD1 4.39Å; L215-L225 HydrophobicContact CD2-CD1 4.25Å
216F68.2Low65.2Low123 Ų12379.3 Ų79.354%0.53942%0.418SS..Hα-helixtrans-111.72.8-173.7-63.4-74.4000113.6S212 L225S212-F216 PolarHBondContact O-N 3.18Å; F216-L225 HydrophobicContact CE2-CD1 4.14Å; F216-L225 HydrophobicContact CE2-CD2 3.9Å; F216-L225 HydrophobicContact CE2-CG 4.48Å
217G61.9Low65.5Low33 Ų3381.8 Ų81.834%0.3442%0.423SS..  trans72-167.9-173.900000112.4T213 T219T213-G217 WeakPolarHBondContact CA-O 3.32Å; T213-G217 WeakPolarHBondContact O-CA 3.46Å; T213-G217 PolarHBondContact O-N 3.16Å; G217-T219 PolarHBondContact O-N 3.38Å
218N58.5Low65.7Low160 Ų16084.5 Ų84.586%0.85644%0.435SS*.SBendtrans-72.660.2-178.4-77.4-5.6000112.7
219T58.2Low66.1Low73 Ų7383.1 Ų83.145%0.44843%0.43SS..  trans-77.2132161.255.60000108.6G217 E221G217-T219 PolarHBondContact O-N 3.38Å; T219-E221 PolarHBondContact O-N 3.48Å
220H52.7Low66.4Low201 Ų20179.9 Ų79.993%0.93142%0.418SS*.SBendtrans-65.81.1-177.7-96.4-81000114.4
221E59.3Low66.8Low139 Ų13979 Ų7965%0.6542%0.419SS*.  trans-105.6108.8177.8-68.5-173166.300110.2T219 I223T219-E221 PolarHBondContact O-N 3.48Å; E221-I223 HydrophobicContact CB-CG1 4.3Å; E221-I223 PolarHBondContact O-N 2.74Å
222S59.4Low67.6Low113 Ų11377.5 Ų77.579%0.7941%0.41SS*.  trans-72.672.816950.60000110.4D224S222-D224 PolarHBondContact O-N 2.8Å
223I65.9Low68.6Low84 Ų8478 Ų7843%0.43141%0.413SS..  trans-65.9115.1170.5-59.5175.1000107.9S212 E221 L225S212-I223 VanDerWaalsContact CB-O 3.32Å; S212-I223 WeakPolarHBondContact CB-O 3.33Å; E221-I223 HydrophobicContact CB-CG1 4.3Å; E221-I223 PolarHBondContact O-N 2.74Å; I223-L225 VanDerWaalsContact C-N 3.35Å; I223-L225 PolarHBondContact O-N 3.04Å
224D69.9Low69.5Low70 Ų7075.5 Ų75.537%0.37440%0.396SS..  trans-71.192.9172.6-170.1-14.1000109.4R209 S222 T226 K227 L228R209-D224 IonicContact NH1-OD2 3.77Å; S222-D224 PolarHBondContact O-N 2.8Å; D224-T226 PolarHBondContact O-N 3.33Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.4Å; D224-T226 PolarHBondContact OD1-N 2.68Å; D224-T226 VanDerWaalsContact OD1-N 3.1Å; D224-K227 HydrophobicContact CB-CB 4.05Å; D224-K227 WeakPolarHBondContact O-CB 3.21Å; D224-K227 PolarHBondContact O-N 2.91Å; D224-K227 VanDerWaalsContact O-N 3.08Å; D224-K227 PolarHBondContact OD1-N 2.87Å; D224-L228 PolarHBondContact O-N 3.43Å
225L72.7Confident70.4Confident8 Ų875.3 Ų75.34%0.04240%0.397CS..Hα-helixtrans-56.3-31.9179.7-78.6166.7000112.1V167 L215 F216 I223 L228 V229V167-L225 HydrophobicContact CG1-CD2 4.38Å; L215-L225 HydrophobicContact CB-CD1 4.39Å; L215-L225 HydrophobicContact CD2-CD1 4.25Å; F216-L225 HydrophobicContact CE2-CD1 4.14Å; F216-L225 HydrophobicContact CE2-CD2 3.9Å; F216-L225 HydrophobicContact CE2-CG 4.48Å; I223-L225 VanDerWaalsContact C-N 3.35Å; I223-L225 PolarHBondContact O-N 3.04Å; L225-L228 HydrophobicContact CD2-CD2 4.48Å; L225-L228 PolarHBondContact O-N 2.9Å; L225-V229 VanDerWaalsContact O-CB 3.25Å; L225-V229 WeakPolarHBondContact O-CB 3.45Å; L225-V229 VanDerWaalsContact O-CG2 3.32Å; L225-V229 WeakPolarHBondContact O-CG2 3.21Å; L225-V229 PolarHBondContact O-N 3.4Å
226T69.1Low71.3Confident29 Ų2976.1 Ų76.118%0.17840%0.402CS..Hα-helixtrans-65.7-44.3178.8-51.70000110.1R209 D224 V229 Y230R209-T226 WeakPolarHBondContact CD-OG1 3.15Å; D224-T226 PolarHBondContact O-N 3.33Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.4Å; D224-T226 PolarHBondContact OD1-N 2.68Å; D224-T226 VanDerWaalsContact OD1-N 3.1Å; T226-V229 PolarHBondContact O-N 2.94Å; T226-Y230 WeakPolarHBondContact O-CB 3.48Å; T226-Y230 PolarHBondContact O-N 3.37Å
227K74Confident72Confident100 Ų10070.5 Ų70.544%0.43538%0.377SS..Hα-helixtrans-66.3-39.4176.1-174174.1-179.7177.70112.1D224 N231D224-K227 HydrophobicContact CB-CB 4.05Å; D224-K227 WeakPolarHBondContact O-CB 3.21Å; D224-K227 PolarHBondContact O-N 2.91Å; D224-K227 VanDerWaalsContact O-N 3.08Å; D224-K227 PolarHBondContact OD1-N 2.87Å; K227-N231 WeakPolarHBondContact O-CB 3.42Å; K227-N231 PolarHBondContact O-N 2.8Å; K227-N231 PolarHBondContact O-ND2 2.78Å
228L76.3Confident73Confident88 Ų8871 Ų7146%0.46137%0.369SS..Hα-helixtrans-62.7-49175.4-17868.7000111.1D224 L225 Y230 N231 L232D224-L228 PolarHBondContact O-N 3.43Å; L225-L228 HydrophobicContact CD2-CD2 4.48Å; L225-L228 PolarHBondContact O-N 2.9Å; L228-Y230 VanDerWaalsContact C-N 3.33Å; L228-Y230 PolarHBondContact O-N 2.84Å; L228-N231 PolarHBondContact O-N 3.07Å; L228-L232 HydrophobicContact CG-CD1 4.33Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 2.93Å
229V78.7Confident74.2Confident22 Ų2266 Ų6613%0.13334%0.344CS..Hα-helixtrans-59.2-44.9177.3153.40000111.5I164 L225 T226 N231 L232 D233I164-V229 HydrophobicContact CG2-CB 4.06Å; I164-V229 HydrophobicContact CG2-CG1 3.16Å; I164-V229 HydrophobicContact CG2-CG2 3.88Å; L225-V229 VanDerWaalsContact O-CB 3.25Å; L225-V229 WeakPolarHBondContact O-CB 3.45Å; L225-V229 VanDerWaalsContact O-CG2 3.32Å; L225-V229 WeakPolarHBondContact O-CG2 3.21Å; L225-V229 PolarHBondContact O-N 3.4Å; T226-V229 PolarHBondContact O-N 2.94Å; V229-N231 PolarHBondContact O-N 2.85Å; V229-L232 WeakPolarHBondContact O-CB 3.28Å; V229-L232 PolarHBondContact O-N 3.33Å; V229-D233 PolarHBondContact O-N 3.42Å
230Y76.5Confident75.7Confident22 Ų2266.4 Ų66.49%0.08634%0.343CS..Hα-helixtrans-60.8-45.4177.4179.2-101.4000111.9T226 L228 L232 D233 L234 E310 G316T226-Y230 WeakPolarHBondContact O-CB 3.48Å; T226-Y230 PolarHBondContact O-N 3.37Å; L228-Y230 VanDerWaalsContact C-N 3.33Å; L228-Y230 PolarHBondContact O-N 2.84Å; Y230-L232 VanDerWaalsContact C-N 3.32Å; Y230-L232 PolarHBondContact O-N 3.49Å; Y230-D233 WeakPolarHBondContact O-CB 3.3Å; Y230-D233 PolarHBondContact O-N 3.3Å; Y230-L234 HydrophobicContact CD1-CD1 3.82Å; Y230-L234 HydrophobicContact CD1-CG 4.34Å; Y230-L234 HydrophobicContact CE1-CD1 3.23Å; Y230-L234 HydrophobicContact CE1-CG 3.96Å; Y230-L234 HydrophobicContact CE2-CD1 4.48Å; Y230-L234 HydrophobicContact CE2-CD2 4.45Å; Y230-L234 HydrophobicContact CE2-CG 4.39Å; Y230-L234 WeakPolarHBondContact O-CG 3.44Å; Y230-L234 PolarHBondContact O-N 3.41Å; Y230-E310 HydrophobicContact CE2-CG 4.35Å; Y230-E310 VanDerWaalsContact CE2-OE1 3.27Å; Y230-E310 WeakPolarHBondContact CE2-OE1 3.29Å; Y230-E310 WeakPolarHBondContact OH-CB 2.98Å; Y230-E310 WeakPolarHBondContact OH-CG 3.07Å; Y230-E310 PolarHBondContact OH-OE1 3.45Å; Y230-E310 PolarHBondContact OH-OE2 2.81Å; Y230-G316 VanDerWaalsContact CE1-C 3.47Å; Y230-G316 VanDerWaalsContact CZ-C 3.49Å
231N79.7Confident77.3Confident58 Ų5857.2 Ų57.231%0.3130%0.301SS..Hα-helixtrans-65.1-35.6175.5-74.1-49.3000112.6K227 L228 V229 I235K227-N231 WeakPolarHBondContact O-CB 3.42Å; K227-N231 PolarHBondContact O-N 2.8Å; K227-N231 PolarHBondContact O-ND2 2.78Å; L228-N231 PolarHBondContact O-N 3.07Å; V229-N231 PolarHBondContact O-N 2.85Å; N231-I235 WeakPolarHBondContact O-CB 3.29Å; N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.25Å; N231-I235 PolarHBondContact O-N 2.96Å
232L82.2Confident78.5Confident69 Ų6953.2 Ų53.236%0.36128%0.281SS..Hα-helixtrans-65.2-42.5173.7-74.2171.7000111.8L228 V229 Y230 L236L228-L232 HydrophobicContact CG-CD1 4.33Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 2.93Å; V229-L232 WeakPolarHBondContact O-CB 3.28Å; V229-L232 PolarHBondContact O-N 3.33Å; Y230-L232 VanDerWaalsContact C-N 3.32Å; Y230-L232 PolarHBondContact O-N 3.49Å; L232-L236 HydrophobicContact CD2-CD1 3.97Å; L232-L236 VanDerWaalsContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CB 3.46Å; L232-L236 PolarHBondContact O-N 3.3Å
233D82.7Confident79.9Confident21 Ų2151.7 Ų51.711%0.11226%0.263CS..Iπ-helixtrans-55.4-56.6172175.940.4000110.7W114 V229 Y230 I235 F237 R238W114-D233 HydrophobicContact CZ2-CB 3.97Å; W114-D233 VanDerWaalsContact CZ2-OD1 3.23Å; W114-D233 WeakPolarHBondContact CZ2-OD1 3.15Å; W114-D233 PolarHBondContact NE1-OD1 3.37Å; V229-D233 PolarHBondContact O-N 3.42Å; Y230-D233 WeakPolarHBondContact O-CB 3.3Å; Y230-D233 PolarHBondContact O-N 3.3Å; D233-I235 VanDerWaalsContact C-N 3.35Å; D233-I235 PolarHBondContact O-N 2.74Å; D233-F237 WeakPolarHBondContact O-CB 3.48Å; D233-F237 PolarHBondContact O-N 2.86Å; D233-R238 PolarHBondContact O-N 2.89Å; D233-R238 IonicContact OD1-NE 2.79Å; D233-R238 IonicContact OD2-CZ 3.86Å; D233-R238 IonicContact OD2-NE 3.01Å; D233-R238 PolarHBondContact OD2-NE 3.01Å; D233-R238 VanDerWaalsContact OD2-NE 3.16Å; D233-R238 IonicContact OD2-NH2 3.32Å; D233-R238 PolarHBondContact OD2-NH2 3.33Å
234L81Confident81Confident13 Ų1349.9 Ų49.97%0.06826%0.257CS..Iπ-helixtrans-56-47.5-178.8-69.4-179.7000112Y230 R238 V239 L307Y230-L234 HydrophobicContact CD1-CD1 3.82Å; Y230-L234 HydrophobicContact CD1-CG 4.34Å; Y230-L234 HydrophobicContact CE1-CD1 3.23Å; Y230-L234 HydrophobicContact CE1-CG 3.96Å; Y230-L234 HydrophobicContact CE2-CD1 4.48Å; Y230-L234 HydrophobicContact CE2-CD2 4.45Å; Y230-L234 HydrophobicContact CE2-CG 4.39Å; Y230-L234 WeakPolarHBondContact O-CG 3.44Å; Y230-L234 PolarHBondContact O-N 3.41Å; L234-R238 WeakPolarHBondContact O-CB 3.39Å; L234-R238 PolarHBondContact O-N 2.92Å; L234-V239 VanDerWaalsContact O-CG2 3.32Å; L234-V239 WeakPolarHBondContact O-CG2 3.42Å; L234-V239 PolarHBondContact O-N 3.49Å; L234-L307 HydrophobicContact CD2-CD2 3.32Å
235I84.4Confident81.9Confident91 Ų9146.9 Ų46.947%0.46724%0.24SC..Iπ-helixtrans-74.9-57.6-174.9-64.8168.1000111N231 D233 V239 I240N231-I235 WeakPolarHBondContact O-CB 3.29Å; N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.25Å; N231-I235 PolarHBondContact O-N 2.96Å; D233-I235 VanDerWaalsContact C-N 3.35Å; D233-I235 PolarHBondContact O-N 2.74Å; I235-V239 PolarHBondContact O-N 3.43Å; I235-I240 HydrophobicContact CG2-CD1 4.36Å; I235-I240 WeakPolarHBondContact O-CG1 3.31Å; I235-I240 PolarHBondContact O-N 2.98Å
236L85.3Confident82.6Confident82 Ų8250.4 Ų50.443%0.42926%0.259SS..Iπ-helixtrans-75.6-39.1-168.7-65.7178000112.8L232 I240 P241L232-L236 HydrophobicContact CD2-CD1 3.97Å; L232-L236 VanDerWaalsContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CB 3.46Å; L232-L236 PolarHBondContact O-N 3.3Å; L236-I240 HydrophobicContact CD2-CD1 3.87Å; L236-P241 WeakPolarHBondContact O-CD 3.13Å
237F83.9Confident83.6Confident5 Ų553.4 Ų53.42%0.02227%0.273CS..Iπ-helixtrans-102.7-7.2-171.5-64.4-80.5000113.7W114 N117 L118 F156 S160 I164 D233 P241W114-F237 HydrophobicContact CB-CD1 3.96Å; W114-F237 HydrophobicContact CB-CE1 4.44Å; W114-F237 AromaticContact CD1-CG 3.96Å; W114-F237 HydrophobicContact CD2-CB 4.09Å; W114-F237 AromaticContact CD2-CD1 3.48Å; W114-F237 HydrophobicContact CD2-CD1 3.48Å; W114-F237 VanDerWaalsContact CD2-CD1 3.48Å; W114-F237 AromaticContact CD2-CD2 3.84Å; W114-F237 HydrophobicContact CD2-CD2 3.84Å; W114-F237 AromaticContact CD2-CE1 3.77Å; W114-F237 HydrophobicContact CD2-CE1 3.77Å; W114-F237 HydrophobicContact CD2-CE2 4.1Å; W114-F237 AromaticContact CD2-CG 3.51Å; W114-F237 HydrophobicContact CD2-CG 3.51Å; W114-F237 HydrophobicContact CD2-CZ 4.07Å; W114-F237 AromaticContact CE2-CD1 3.99Å; W114-F237 AromaticContact CE2-CD2 3.55Å; W114-F237 AromaticContact CE2-CG 3.49Å; W114-F237 VanDerWaalsContact CE2-CG 3.49Å; W114-F237 AromaticContact CE3-CD1 3.73Å; W114-F237 HydrophobicContact CE3-CD1 3.73Å; W114-F237 HydrophobicContact CE3-CD2 4Å; W114-F237 AromaticContact CE3-CE1 3.48Å; W114-F237 HydrophobicContact CE3-CE1 3.48Å; W114-F237 VanDerWaalsContact CE3-CE1 3.48Å; W114-F237 AromaticContact CE3-CE2 3.76Å; W114-F237 HydrophobicContact CE3-CE2 3.76Å; W114-F237 AromaticContact CE3-CG 3.99Å; W114-F237 HydrophobicContact CE3-CG 3.99Å; W114-F237 AromaticContact CE3-CZ 3.5Å; W114-F237 HydrophobicContact CE3-CZ 3.5Å; W114-F237 VanDerWaalsContact CE3-CZ 3.5Å; W114-F237 HydrophobicContact CG-CB 4.02Å; W114-F237 AromaticContact CG-CD1 3.62Å; W114-F237 HydrophobicContact CG-CD1 3.62Å; W114-F237 HydrophobicContact CG-CE1 4.23Å; W114-F237 AromaticContact CG-CG 3.82Å; W114-F237 HydrophobicContact CG-CG 3.82Å; W114-F237 AromaticContact CH2-CD2 3.71Å; W114-F237 HydrophobicContact CH2-CD2 3.71Å; W114-F237 AromaticContact CH2-CE2 3.5Å; W114-F237 HydrophobicContact CH2-CE2 3.5Å; W114-F237 VanDerWaalsContact CH2-CE2 3.5Å; W114-F237 HydrophobicContact CH2-CG 4.4Å; W114-F237 HydrophobicContact CH2-CZ 4.06Å; W114-F237 HydrophobicContact CZ2-CB 4.45Å; W114-F237 AromaticContact CZ2-CD2 3.5Å; W114-F237 HydrophobicContact CZ2-CD2 3.5Å; W114-F237 VanDerWaalsContact CZ2-CD2 3.5Å; W114-F237 AromaticContact CZ2-CE2 3.82Å; W114-F237 HydrophobicContact CZ2-CE2 3.82Å; W114-F237 AromaticContact CZ2-CG 3.96Å; W114-F237 HydrophobicContact CZ2-CG 3.96Å; W114-F237 HydrophobicContact CZ3-CD1 4.42Å; W114-F237 AromaticContact CZ3-CD2 3.93Å; W114-F237 HydrophobicContact CZ3-CD2 3.93Å; W114-F237 AromaticContact CZ3-CE1 3.99Å; W114-F237 HydrophobicContact CZ3-CE1 3.99Å; W114-F237 AromaticContact CZ3-CE2 3.44Å; W114-F237 HydrophobicContact CZ3-CE2 3.44Å; W114-F237 VanDerWaalsContact CZ3-CE2 3.44Å; W114-F237 HydrophobicContact CZ3-CG 4.39Å; W114-F237 AromaticContact CZ3-CZ 3.48Å; W114-F237 HydrophobicContact CZ3-CZ 3.48Å; W114-F237 VanDerWaalsContact CZ3-CZ 3.48Å; W114-F237 AromaticContact NE1-CG 3.74Å; N117-F237 PolarHBondContact ND2-O 3.31Å; L118-F237 HydrophobicContact CD1-CD1 4.35Å; L118-F237 HydrophobicContact CD1-CE1 4.26Å; F156-F237 HydrophobicContact CD1-CE1 4.46Å; F156-F237 AromaticContact CE1-CE1 3.81Å; F156-F237 HydrophobicContact CE1-CE1 3.81Å; F156-F237 HydrophobicContact CE1-CZ 4.04Å; F156-F237 HydrophobicContact CZ-CZ 4.37Å; S160-F237 VanDerWaalsContact OG-CZ 3.27Å; S160-F237 WeakPolarHBondContact OG-CZ 3.14Å; I164-F237 HydrophobicContact CD1-CE2 4.28Å; D233-F237 WeakPolarHBondContact O-CB 3.48Å; D233-F237 PolarHBondContact O-N 2.86Å; F237-P241 WeakPolarHBondContact O-CG 3.42Å
238R82.7Confident84.3Confident42 Ų4248.8 Ų48.816%0.15825%0.253CS..Iπ-helixtrans-127.7-59.3179-48.6-178.4-174.5-176.312.9113.4D233 L234 F242 L307 E310D233-R238 PolarHBondContact O-N 2.89Å; D233-R238 IonicContact OD1-NE 2.79Å; D233-R238 IonicContact OD2-CZ 3.86Å; D233-R238 IonicContact OD2-NE 3.01Å; D233-R238 PolarHBondContact OD2-NE 3.01Å; D233-R238 VanDerWaalsContact OD2-NE 3.16Å; D233-R238 IonicContact OD2-NH2 3.32Å; D233-R238 PolarHBondContact OD2-NH2 3.33Å; L234-R238 WeakPolarHBondContact O-CB 3.39Å; L234-R238 PolarHBondContact O-N 2.92Å; R238-F242 WeakPolarHBondContact O-CB 3.39Å; R238-F242 PolarHBondContact O-N 2.79Å; R238-L307 HydrophobicContact CB-CD1 4.05Å; R238-L307 HydrophobicContact CB-CD2 3.92Å; R238-L307 HydrophobicContact CB-CG 4.45Å; R238-L307 VanDerWaalsContact CD-CD2 3.41Å; R238-L307 HydrophobicContact CG-CD2 4.36Å; R238-E310 IonicContact CZ-OE2 3.43Å; R238-E310 IonicContact NH1-OE2 3.94Å; R238-E310 PolarHBondContact NH1-OE2 3.44Å; R238-E310 IonicContact NH2-OE1 3.88Å; R238-E310 IonicContact NH2-OE2 3.3Å; R238-E310 PolarHBondContact NH2-OE2 2.7Å
239V84.2Confident84.8Confident57 Ų5745 Ų4535%0.34523%0.234SC..Iπ-helixtrans-64.5-48.2-176.5172.70000111.8L234 I235 F242 I243L234-V239 VanDerWaalsContact O-CG2 3.32Å; L234-V239 WeakPolarHBondContact O-CG2 3.42Å; L234-V239 PolarHBondContact O-N 3.49Å; I235-V239 PolarHBondContact O-N 3.43Å; V239-F242 WeakPolarHBondContact O-CB 3.28Å; V239-F242 PolarHBondContact O-N 3.34Å; V239-I243 HydrophobicContact CG1-CD1 3.66Å; V239-I243 HydrophobicContact CG1-CG1 4.34Å; V239-I243 WeakPolarHBondContact O-CG1 3.41Å; V239-I243 PolarHBondContact O-N 3.02Å
240I88.5Confident85.3Confident81 Ų8146.7 Ų46.742%0.41525%0.25SS..Hα-helixtrans-63-51.2178.6-67.9175.3000111.2I235 L236 F242 I243 T244I235-I240 HydrophobicContact CG2-CD1 4.36Å; I235-I240 WeakPolarHBondContact O-CG1 3.31Å; I235-I240 PolarHBondContact O-N 2.98Å; L236-I240 HydrophobicContact CD2-CD1 3.87Å; I240-F242 VanDerWaalsContact C-N 3.29Å; I240-F242 PolarHBondContact O-N 2.95Å; I240-I243 PolarHBondContact O-N 3.47Å; I240-T244 HydrophobicContact CG2-CG2 4.32Å; I240-T244 WeakPolarHBondContact O-CB 3.29Å; I240-T244 VanDerWaalsContact O-CG2 3.28Å; I240-T244 WeakPolarHBondContact O-CG2 3.26Å; I240-T244 PolarHBondContact O-N 2.93Å; I240-T244 PolarHBondContact O-OG1 2.53Å
241P86.8Confident85.9Confident8 Ų848.1 Ų48.15%0.05226%0.261CS..Hα-helixtrans-52.1-43.2170.8-36.242.6000113.9L118 T121 L236 F237 T244 M245L118-P241 HydrophobicContact CD2-CG 4.22Å; T121-P241 WeakPolarHBondContact OG1-CB 3.34Å; L236-P241 WeakPolarHBondContact O-CD 3.13Å; F237-P241 WeakPolarHBondContact O-CG 3.42Å; P241-T244 WeakPolarHBondContact CA-OG1 3.47Å; P241-T244 PolarHBondContact O-OG1 3.01Å; P241-M245 WeakPolarHBondContact O-CB 3.13Å; P241-M245 PolarHBondContact O-N 3.43Å
242F85.6Confident86.3Confident54 Ų5445.5 Ų45.524%0.23725%0.247CC..Hα-helixtrans-62.7-52.3178.4174.9-98000112.2R238 V239 I240 T244 M245 L246 L300 P304R238-F242 WeakPolarHBondContact O-CB 3.39Å; R238-F242 PolarHBondContact O-N 2.79Å; V239-F242 WeakPolarHBondContact O-CB 3.28Å; V239-F242 PolarHBondContact O-N 3.34Å; I240-F242 VanDerWaalsContact C-N 3.29Å; I240-F242 PolarHBondContact O-N 2.95Å; F242-T244 VanDerWaalsContact C-N 3.34Å; F242-T244 PolarHBondContact O-N 3.34Å; F242-M245 PolarHBondContact O-N 3.45Å; F242-L246 HydrophobicContact CE1-CD1 4.35Å; F242-L246 HydrophobicContact CZ-CD1 4.02Å; F242-L246 WeakPolarHBondContact O-CB 3.33Å; F242-L246 PolarHBondContact O-N 2.96Å; F242-L300 HydrophobicContact CD2-CD2 3.38Å; F242-L300 HydrophobicContact CE2-CB 4.12Å; F242-L300 HydrophobicContact CE2-CD2 3.16Å; F242-L300 HydrophobicContact CE2-CG 4.22Å; F242-L300 HydrophobicContact CG-CD2 4.29Å; F242-L300 HydrophobicContact CZ-CD2 3.97Å; F242-P304 HydrophobicContact CD2-CG 3.62Å; F242-P304 HydrophobicContact CE1-CG 4.5Å; F242-P304 HydrophobicContact CE2-CB 4.36Å; F242-P304 HydrophobicContact CE2-CG 3.08Å; F242-P304 HydrophobicContact CZ-CG 3.61Å
243I87.5Confident86.4Confident81 Ų8143.4 Ų43.442%0.41524%0.24SC..Hα-helixtrans-61.7-44.4-179.4-68.3170.7000110.3V239 I240 L246 I247V239-I243 HydrophobicContact CG1-CD1 3.66Å; V239-I243 HydrophobicContact CG1-CG1 4.34Å; V239-I243 WeakPolarHBondContact O-CG1 3.41Å; V239-I243 PolarHBondContact O-N 3.02Å; I240-I243 PolarHBondContact O-N 3.47Å; I243-L246 PolarHBondContact O-N 2.78Å; I243-I247 HydrophobicContact CG2-CD1 3.6Å; I243-I247 HydrophobicContact CG2-CG1 4.3Å; I243-I247 WeakPolarHBondContact O-CB 3.47Å; I243-I247 VanDerWaalsContact O-CG1 3.28Å; I243-I247 WeakPolarHBondContact O-CG1 3.08Å; I243-I247 PolarHBondContact O-N 3.4Å
244T90.5Very high86.6Confident47 Ų4745.9 Ų45.929%0.28826%0.258SS..Hα-helixtrans-65.5-40.5179.3530000112T121 I240 P241 F242 S248T121-T244 WeakPolarHBondContact CG2-OG1 3.32Å; I240-T244 HydrophobicContact CG2-CG2 4.32Å; I240-T244 WeakPolarHBondContact O-CB 3.29Å; I240-T244 VanDerWaalsContact O-CG2 3.28Å; I240-T244 WeakPolarHBondContact O-CG2 3.26Å; I240-T244 PolarHBondContact O-N 2.93Å; I240-T244 PolarHBondContact O-OG1 2.53Å; P241-T244 WeakPolarHBondContact CA-OG1 3.47Å; P241-T244 PolarHBondContact O-OG1 3.01Å; F242-T244 VanDerWaalsContact C-N 3.34Å; F242-T244 PolarHBondContact O-N 3.34Å; T244-S248 WeakPolarHBondContact O-CB 3.49Å; T244-S248 PolarHBondContact O-N 3.02Å; T244-S248 PolarHBondContact O-OG 3.49Å
245M87.5Confident86.9Confident6 Ų647.4 Ų47.43%0.0327%0.266CS..Hα-helixtrans-65-40.3173.6-176.5168.663.800112.1Q120 P241 F242 S248 S249 N296 T299 L300Q120-M245 HydrophobicContact CG-SD 3.93Å; P241-M245 WeakPolarHBondContact O-CB 3.13Å; P241-M245 PolarHBondContact O-N 3.43Å; F242-M245 PolarHBondContact O-N 3.45Å; M245-S248 VanDerWaalsContact CA-OG 3.32Å; M245-S248 WeakPolarHBondContact CA-OG 3.28Å; M245-S248 PolarHBondContact O-OG 3.29Å; M245-S249 WeakPolarHBondContact O-CB 3.47Å; M245-S249 PolarHBondContact O-N 3.17Å; M245-S249 PolarHBondContact O-OG 3.41Å; M245-N296 HydrophobicContact CG-CB 3.8Å; M245-N296 HydrophobicContact SD-CB 3.7Å; M245-N296 PolarHBondContact SD-OD1 3.14Å; M245-N296 VanDerWaalsContact SD-OD1 3.35Å; M245-T299 HydrophobicContact CE-CG2 3.59Å; M245-T299 HydrophobicContact SD-CG2 4.44Å; M245-L300 HydrophobicContact CB-CD2 4.49Å; M245-L300 HydrophobicContact CE-CB 4.49Å; M245-L300 HydrophobicContact CE-CD2 3.51Å; M245-L300 HydrophobicContact CE-CG 3.58Å; M245-L300 HydrophobicContact CG-CD2 4.37Å; M245-L300 HydrophobicContact CG-CG 4.48Å
246L88.4Confident86.7Confident82 Ų8244.6 Ų44.643%0.42925%0.253SS..Hα-helixtrans-65.7-50.4178.1-175.2125.2000111.6F242 I243 S249 A250 L300F242-L246 HydrophobicContact CE1-CD1 4.35Å; F242-L246 HydrophobicContact CZ-CD1 4.02Å; F242-L246 WeakPolarHBondContact O-CB 3.33Å; F242-L246 PolarHBondContact O-N 2.96Å; I243-L246 PolarHBondContact O-N 2.78Å; L246-S249 PolarHBondContact O-N 3.16Å; L246-A250 WeakPolarHBondContact O-CB 3.45Å; L246-A250 PolarHBondContact O-N 3.43Å; L246-L300 HydrophobicContact CB-CD2 4.03Å; L246-L300 HydrophobicContact CD1-CD2 4.31Å
247I89.8Confident86.7Confident93 Ų9349 Ų4948%0.47726%0.264SS..Hα-helixtrans-61.6-48.2177.8-66.2170000110.1I243 S249 A250 V251I243-I247 HydrophobicContact CG2-CD1 3.6Å; I243-I247 HydrophobicContact CG2-CG1 4.3Å; I243-I247 WeakPolarHBondContact O-CB 3.47Å; I243-I247 VanDerWaalsContact O-CG1 3.28Å; I243-I247 WeakPolarHBondContact O-CG1 3.08Å; I243-I247 PolarHBondContact O-N 3.4Å; I247-S249 PolarHBondContact O-N 2.81Å; I247-A250 PolarHBondContact O-N 3.36Å; I247-V251 HydrophobicContact CG2-CG2 4.3Å; I247-V251 WeakPolarHBondContact O-CB 2.91Å; I247-V251 VanDerWaalsContact O-CG2 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.11Å; I247-V251 PolarHBondContact O-N 2.98Å
248S88.9Confident86.7Confident2 Ų256.5 Ų56.51%0.01429%0.293CS..Hα-helixtrans-60.4-4517957.90000111.8S124 T244 M245 V251 I252S124-S248 WeakPolarHBondContact CB-OG 3.38Å; S124-S248 PolarHBondContact OG-OG 2.93Å; T244-S248 WeakPolarHBondContact O-CB 3.49Å; T244-S248 PolarHBondContact O-N 3.02Å; T244-S248 PolarHBondContact O-OG 3.49Å; M245-S248 VanDerWaalsContact CA-OG 3.32Å; M245-S248 WeakPolarHBondContact CA-OG 3.28Å; M245-S248 PolarHBondContact O-OG 3.29Å; S248-V251 PolarHBondContact O-N 2.7Å; S248-I252 WeakPolarHBondContact O-CB 3.39Å; S248-I252 WeakPolarHBondContact O-CD1 3.44Å; S248-I252 WeakPolarHBondContact O-CG1 3.19Å; S248-I252 PolarHBondContact O-N 3.35Å
249S87Confident86.6Confident8 Ų858.1 Ų58.16%0.05630%0.302CS..Hα-helixtrans-64.3-42178.4-590000112.3M245 L246 I247 I252 A253 N296M245-S249 WeakPolarHBondContact O-CB 3.47Å; M245-S249 PolarHBondContact O-N 3.17Å; M245-S249 PolarHBondContact O-OG 3.41Å; L246-S249 PolarHBondContact O-N 3.16Å; I247-S249 PolarHBondContact O-N 2.81Å; S249-I252 PolarHBondContact O-N 3.21Å; S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.39Å; S249-N296 PolarHBondContact OG-ND2 3.09Å
250A88Confident86.4Confident58 Ų5863.4 Ų63.448%0.47932%0.316SS..Hα-helixtrans-63.8-44.417700000111.8L246 I247 A253 S254L246-A250 WeakPolarHBondContact O-CB 3.45Å; L246-A250 PolarHBondContact O-N 3.43Å; I247-A250 PolarHBondContact O-N 3.36Å; A250-A253 PolarHBondContact O-N 2.04Å; A250-S254 WeakPolarHBondContact O-CB 3.35Å; A250-S254 PolarHBondContact O-N 2.88Å
251V90.2Very high86.1Confident53 Ų5368.4 Ų68.432%0.32133%0.329SS..Hα-helixtrans-66.5-44.6177.4176.60000110.8L128 I132 I247 S248 A253 S254 L255L128-V251 HydrophobicContact CD1-CB 3.7Å; L128-V251 HydrophobicContact CD1-CG1 3.47Å; L128-V251 VanDerWaalsContact CD1-CG1 3.47Å; I132-V251 HydrophobicContact CD1-CG1 4.49Å; I247-V251 HydrophobicContact CG2-CG2 4.3Å; I247-V251 WeakPolarHBondContact O-CB 2.91Å; I247-V251 VanDerWaalsContact O-CG2 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.11Å; I247-V251 PolarHBondContact O-N 2.98Å; S248-V251 PolarHBondContact O-N 2.7Å; V251-A253 PolarHBondContact O-N 2.88Å; V251-S254 PolarHBondContact O-N 2.77Å; V251-L255 HydrophobicContact CG1-CD1 3.7Å; V251-L255 HydrophobicContact CG1-CG 4.18Å; V251-L255 WeakPolarHBondContact O-CB 3.46Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 2.89Å
252I86.5Confident85.8Confident3 Ų374 Ų742%0.01535%0.353CS..Hα-helixtrans-58.4-49.2175.5-70.5164.5000110.3R127 L128 S248 S249 S254 L255 V256 L292R127-I252 HydrophobicContact CB-CD1 3.94Å; L128-I252 HydrophobicContact CB-CD1 4.33Å; L128-I252 HydrophobicContact CB-CG1 4.43Å; L128-I252 HydrophobicContact CD1-CG1 4.09Å; S248-I252 WeakPolarHBondContact O-CB 3.39Å; S248-I252 WeakPolarHBondContact O-CD1 3.44Å; S248-I252 WeakPolarHBondContact O-CG1 3.19Å; S248-I252 PolarHBondContact O-N 3.35Å; S249-I252 PolarHBondContact O-N 3.21Å; I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 2.99Å; I252-L255 PolarHBondContact O-N 3.07Å; I252-V256 HydrophobicContact CG2-CG2 4.15Å; I252-V256 WeakPolarHBondContact O-CB 3.2Å; I252-V256 VanDerWaalsContact O-CG2 3.24Å; I252-V256 WeakPolarHBondContact O-CG2 3.34Å; I252-V256 PolarHBondContact O-N 3.5Å; I252-L292 HydrophobicContact CD1-CD2 3.76Å
253A84.9Confident85Confident24 Ų2473.6 Ų73.620%0.19835%0.35CS..Hα-helixtrans-58.9-44.2177.700000112.3S249 A250 V251 R257 L293S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.39Å; A250-A253 PolarHBondContact O-N 2.04Å; V251-A253 PolarHBondContact O-N 2.88Å; A253-R257 WeakPolarHBondContact O-CB 3.28Å; A253-R257 WeakPolarHBondContact O-CG 3.42Å; A253-R257 PolarHBondContact O-N 3.32Å; A253-L293 HydrophobicContact CB-CD1 3.8Å
254S87.9Confident84.4Confident73 Ų7374 Ų7451%0.5135%0.353SS..Hα-helixtrans-61.9-46.9177.5-175.50000111.6A250 V251 I252 R257 R258A250-S254 WeakPolarHBondContact O-CB 3.35Å; A250-S254 PolarHBondContact O-N 2.88Å; V251-S254 PolarHBondContact O-N 2.77Å; I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 2.99Å; S254-R257 PolarHBondContact O-N 3.42Å; S254-R258 WeakPolarHBondContact O-CB 3.34Å; S254-R258 PolarHBondContact O-N 2.94Å
255L86.1Confident83.7Confident45 Ų4581 Ų8124%0.23637%0.374CS..Hα-helixtrans-66.3-44.2179.5-70.3174.5000112V131 I132 V251 I252 R257 R258 Q259V131-L255 HydrophobicContact CG1-CB 3.69Å; V131-L255 HydrophobicContact CG1-CD1 3.7Å; V131-L255 HydrophobicContact CG1-CG 4.34Å; I132-L255 HydrophobicContact CG1-CD1 3.76Å; V251-L255 HydrophobicContact CG1-CD1 3.7Å; V251-L255 HydrophobicContact CG1-CG 4.18Å; V251-L255 WeakPolarHBondContact O-CB 3.46Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 2.89Å; I252-L255 PolarHBondContact O-N 3.07Å; L255-R257 VanDerWaalsContact C-N 3.34Å; L255-R257 PolarHBondContact O-N 2.91Å; L255-R258 PolarHBondContact O-N 3.03Å; L255-Q259 WeakPolarHBondContact O-CB 3.39Å; L255-Q259 VanDerWaalsContact O-CG 3.28Å; L255-Q259 WeakPolarHBondContact O-CG 3.44Å; L255-Q259 PolarHBondContact O-N 2.94Å
256V81.4Confident82.9Confident32 Ų3285.5 Ų85.519%0.19440%0.398CS..Hα-helixtrans-61-43.4175.6171.30000110.6I252 Q259 R260 Y282I252-V256 HydrophobicContact CG2-CG2 4.15Å; I252-V256 WeakPolarHBondContact O-CB 3.2Å; I252-V256 VanDerWaalsContact O-CG2 3.24Å; I252-V256 WeakPolarHBondContact O-CG2 3.34Å; I252-V256 PolarHBondContact O-N 3.5Å; V256-Q259 PolarHBondContact O-N 2.93Å; V256-R260 WeakPolarHBondContact O-CB 3.49Å; V256-R260 PolarHBondContact O-N 2.93Å; V256-Y282 PolarHBondContact O-OH 3.47Å
257R83.9Confident81.7Confident175 Ų17583 Ų8366%0.6639%0.386SS*.Hα-helixtrans-61.7-44174.3-74.8173.7-177.8179.51.9111.7A253 S254 L255 R260 R261A253-R257 WeakPolarHBondContact O-CB 3.28Å; A253-R257 WeakPolarHBondContact O-CG 3.42Å; A253-R257 PolarHBondContact O-N 3.32Å; S254-R257 PolarHBondContact O-N 3.42Å; L255-R257 VanDerWaalsContact C-N 3.34Å; L255-R257 PolarHBondContact O-N 2.91Å; R257-R260 PolarHBondContact O-N 3.34Å; R257-R261 WeakPolarHBondContact O-CG 3.43Å; R257-R261 PolarHBondContact O-N 3.49Å
258R85.3Confident80.4Confident162 Ų16289.1 Ų89.161%0.61140%0.403SS*.Hα-helixtrans-66.8-42.1179.9-158.1176.2-171.9-1752.9111.6S254 L255 R261 K262S254-R258 WeakPolarHBondContact O-CB 3.34Å; S254-R258 PolarHBondContact O-N 2.94Å; L255-R258 PolarHBondContact O-N 3.03Å; R258-R261 PolarHBondContact O-N 2.74Å; R258-K262 WeakPolarHBondContact O-CG 3.44Å; R258-K262 PolarHBondContact O-N 3.13Å
259Q80.6Confident79.3Confident76 Ų7696 Ų9636%0.35544%0.438SS..Hα-helixtrans-62.5-45.6174-74.6178.1-3.800111.3L255 V256 R261 K262 R263 Y282L255-Q259 WeakPolarHBondContact O-CB 3.39Å; L255-Q259 VanDerWaalsContact O-CG 3.28Å; L255-Q259 WeakPolarHBondContact O-CG 3.44Å; L255-Q259 PolarHBondContact O-N 2.94Å; V256-Q259 PolarHBondContact O-N 2.93Å; Q259-R261 PolarHBondContact O-N 2.85Å; Q259-K262 PolarHBondContact O-N 2.98Å; Q259-R263 WeakPolarHBondContact O-CB 3.31Å; Q259-R263 PolarHBondContact O-N 3.45Å; Q259-Y282 HydrophobicContact CB-CE2 4.32Å
260R78Confident78.3Confident168 Ų16896.3 Ų96.363%0.63444%0.44SS*.Hα-helixtrans-58.4-45.2174.9-172.6177.9-180-171.4-1.3111.7V256 R257 R263 N264V256-R260 WeakPolarHBondContact O-CB 3.49Å; V256-R260 PolarHBondContact O-N 2.93Å; R257-R260 PolarHBondContact O-N 3.34Å; R260-R263 PolarHBondContact O-N 2.95Å; R260-N264 WeakPolarHBondContact O-CB 3.35Å; R260-N264 VanDerWaalsContact O-CG 3.24Å; R260-N264 PolarHBondContact O-N 3.1Å; R260-N264 PolarHBondContact O-OD1 3.37Å
261R82.3Confident77.2Confident186 Ų18697.2 Ų97.270%0.70244%0.443SS*.Hα-helixtrans-63.6-50.4177.1-73.7179-178.2-179.31.1112.6R257 R258 Q259 R263 N264 R265R257-R261 WeakPolarHBondContact O-CG 3.43Å; R257-R261 PolarHBondContact O-N 3.49Å; R258-R261 PolarHBondContact O-N 2.74Å; Q259-R261 PolarHBondContact O-N 2.85Å; R261-R263 PolarHBondContact O-N 2.86Å; R261-N264 PolarHBondContact O-N 3.48Å; R261-R265 PolarHBondContact O-N 3.11Å
262K81.6Confident76.1Confident126 Ų126101.6 Ų101.655%0.54846%0.463SS..Hα-helixtrans-58.3-40.4177.3-75.8-173.6176.6-172.10111.2R258 Q259 R265 L266R258-K262 WeakPolarHBondContact O-CG 3.44Å; R258-K262 PolarHBondContact O-N 3.13Å; Q259-K262 PolarHBondContact O-N 2.98Å; K262-R265 WeakPolarHBondContact O-CB 3.2Å; K262-R265 PolarHBondContact O-N 2.83Å; K262-L266 PolarHBondContact O-N 3.4Å; K262-L266 VanDerWaalsContact O-N 3.09Å
263R68.8Low74.9Confident46 Ų46106.4 Ų106.417%0.17449%0.492CS..Hα-helixtrans-69.8-40.7179-176.9-179.4168.2154.24.2113.2Q259 R260 R261 R265 L266 T267 R278Q259-R263 WeakPolarHBondContact O-CB 3.31Å; Q259-R263 PolarHBondContact O-N 3.45Å; R260-R263 PolarHBondContact O-N 2.95Å; R261-R263 PolarHBondContact O-N 2.86Å; R263-R265 PolarHBondContact O-N 3.21Å; R263-L266 PolarHBondContact O-N 3.26Å; R263-L266 VanDerWaalsContact O-N 3.11Å; R263-T267 HydrophobicContact CG-CG2 3.99Å; R263-T267 WeakPolarHBondContact O-CB 3.3Å; R263-T267 WeakPolarHBondContact O-CG2 3.2Å; R263-T267 PolarHBondContact O-N 3.48Å; R263-T267 PolarHBondContact O-OG1 3.34Å; R263-R278 PolarHBondContact NH1-O 2.59Å; R263-R278 PolarHBondContact NH2-O 3.14Å
264N73.9Confident73.8Confident90 Ų90109.1 Ų109.148%0.48150%0.501SS..Hα-helixtrans-60-28174.8-75.20.6000111.6R260 R261 T267R260-N264 WeakPolarHBondContact O-CB 3.35Å; R260-N264 VanDerWaalsContact O-CG 3.24Å; R260-N264 PolarHBondContact O-N 3.1Å; R260-N264 PolarHBondContact O-OD1 3.37Å; R261-N264 PolarHBondContact O-N 3.48Å; N264-T267 WeakPolarHBondContact CA-OG1 3.27Å; N264-T267 PolarHBondContact O-OG1 3.18Å
265R76.8Confident72.6Confident193 Ų193109.7 Ų109.773%0.72849%0.494SS*.Hα-helixtrans-73-48.3170.9-63.4177.8179.3-177.4-2.5112R261 K262 R263 T267 R268R261-R265 PolarHBondContact O-N 3.11Å; K262-R265 WeakPolarHBondContact O-CB 3.2Å; K262-R265 PolarHBondContact O-N 2.83Å; R263-R265 PolarHBondContact O-N 3.21Å; R265-T267 PolarHBondContact O-N 3Å; R265-R268 PolarHBondContact O-N 3.43Å
266L69.7Low71.5Confident100 Ų100116.2 Ų116.252%0.52452%0.516SS..Hα-helixtrans-66.6-34.2-179.6-73.1163.6000114K262 R263 R268 I269 S270K262-L266 PolarHBondContact O-N 3.4Å; K262-L266 VanDerWaalsContact O-N 3.09Å; R263-L266 PolarHBondContact O-N 3.26Å; R263-L266 VanDerWaalsContact O-N 3.11Å; L266-R268 PolarHBondContact O-N 3.19Å; L266-I269 PolarHBondContact O-N 2.84Å; L266-S270 PolarHBondContact O-N 3.48Å; L266-S270 VanDerWaalsContact O-N 3.15Å
267T64Low70.5Confident31 Ų31119.9 Ų119.919%0.1953%0.534CS..THydrogen-bonded Turntrans-69-14.1179.844.70000113.5R263 N264 R265 K275R263-T267 HydrophobicContact CG-CG2 3.99Å; R263-T267 WeakPolarHBondContact O-CB 3.3Å; R263-T267 WeakPolarHBondContact O-CG2 3.2Å; R263-T267 PolarHBondContact O-N 3.48Å; R263-T267 PolarHBondContact O-OG1 3.34Å; N264-T267 WeakPolarHBondContact CA-OG1 3.27Å; N264-T267 PolarHBondContact O-OG1 3.18Å; R265-T267 PolarHBondContact O-N 3Å; T267-K275 WeakPolarHBondContact O-CE 3.19Å; T267-K275 PolarHBondContact O-NZ 3.43Å
268R63.2Low69.3Low221 Ų221116.7 Ų116.783%0.83452%0.522SS*.THydrogen-bonded Turntrans-70.1-24.1167.3-69.9-174-179.5-177-1.7112.4R265 L266R265-R268 PolarHBondContact O-N 3.43Å; L266-R268 PolarHBondContact O-N 3.19Å
269I66.1Low68.1Low147 Ų147110.8 Ų110.875%0.75451%0.506SS*.THydrogen-bonded Turntrans-103.9-25.1-172.3-54.3171.4000111.9L266L266-I269 PolarHBondContact O-N 2.84Å
270S64.2Low67Low14 Ų14112.2 Ų112.210%0.09852%0.515CS..SBendtrans-81.3146.9-173.164.90000114.7L266 Q274 K275L266-S270 PolarHBondContact O-N 3.48Å; L266-S270 VanDerWaalsContact O-N 3.15Å; S270-Q274 VanDerWaalsContact CB-OE1 3.31Å; S270-K275 WeakPolarHBondContact O-CE 3.36Å; S270-K275 VanDerWaalsContact OG-CG 3.24Å; S270-K275 WeakPolarHBondContact OG-CG 3.42Å
271S67Low66.1Low76 Ų76106.1 Ų106.153%0.53150%0.504SS..  trans-59154.4172.469.10000113.3V273 Q274 K275S271-V273 VanDerWaalsContact C-N 3.26Å; S271-V273 PolarHBondContact O-N 3.18Å; S271-Q274 PolarHBondContact O-N 3.38Å; S271-Q274 VanDerWaalsContact O-N 3.11Å; S271-K275 WeakPolarHBondContact O-CG 3.49Å; S271-K275 PolarHBondContact O-N 3.21Å
272I66.9Low64.9Low146 Ų14699.3 Ų99.375%0.74948%0.479SS*.Hα-helixtrans-55.5-39.6-176.3-63.3169.6000112K275 R276I272-K275 WeakPolarHBondContact O-CB 3.38Å; I272-K275 PolarHBondContact O-N 3.38Å; I272-R276 PolarHBondContact O-N 3.27Å
273V61.3Low64Low104 Ų10496.9 Ų96.963%0.6347%0.472SS*.Hα-helixtrans-66.3-43179.4-179.40000111.3S271 K275 R276 N277S271-V273 VanDerWaalsContact C-N 3.26Å; S271-V273 PolarHBondContact O-N 3.18Å; V273-K275 VanDerWaalsContact C-N 3.32Å; V273-K275 PolarHBondContact O-N 3.11Å; V273-R276 PolarHBondContact O-N 3Å; V273-N277 PolarHBondContact O-N 3.29Å; V273-N277 VanDerWaalsContact O-N 3.08Å
274Q61.9Low63.7Low81 Ų81100.2 Ų100.238%0.37949%0.485SS..Hα-helixtrans-67.7-33.8177-157.9-178.531.600111.6S270 S271 R278S270-Q274 VanDerWaalsContact CB-OE1 3.31Å; S271-Q274 PolarHBondContact O-N 3.38Å; S271-Q274 VanDerWaalsContact O-N 3.11Å; Q274-R278 VanDerWaalsContact CD-CZ 3.49Å; Q274-R278 VanDerWaalsContact NE2-CZ 3.3Å; Q274-R278 VanDerWaalsContact O-CB 3.25Å; Q274-R278 WeakPolarHBondContact O-CB 3.33Å; Q274-R278 VanDerWaalsContact O-CG 3.25Å; Q274-R278 WeakPolarHBondContact O-CG 3.08Å; Q274-R278 PolarHBondContact O-N 2.74Å; Q274-R278 VanDerWaalsContact O-N 3.13Å
275K62.8Low63.3Low85 Ų85101.9 Ų101.937%0.3749%0.49SS..Hα-helixtrans-60.2-45.6171.1-66.5-175-158.2-164.40111.1T267 S270 S271 I272 V273 S279T267-K275 WeakPolarHBondContact O-CE 3.19Å; T267-K275 PolarHBondContact O-NZ 3.43Å; S270-K275 WeakPolarHBondContact O-CE 3.36Å; S270-K275 VanDerWaalsContact OG-CG 3.24Å; S270-K275 WeakPolarHBondContact OG-CG 3.42Å; S271-K275 WeakPolarHBondContact O-CG 3.49Å; S271-K275 PolarHBondContact O-N 3.21Å; I272-K275 WeakPolarHBondContact O-CB 3.38Å; I272-K275 PolarHBondContact O-N 3.38Å; V273-K275 VanDerWaalsContact C-N 3.32Å; V273-K275 PolarHBondContact O-N 3.11Å; K275-S279 VanDerWaalsContact O-CB 3.32Å; K275-S279 WeakPolarHBondContact O-CB 3.46Å; K275-S279 PolarHBondContact O-N 3.34Å
276R62.2Low62.8Low181 Ų18194 Ų9468%0.68346%0.464SS*.Hα-helixtrans-64.8-53.3-177.9-168175.9-176.6169.40.7112I272 V273 R278 S279 I280I272-R276 PolarHBondContact O-N 3.27Å; V273-R276 PolarHBondContact O-N 3Å; R276-R278 PolarHBondContact O-N 2.84Å; R276-S279 WeakPolarHBondContact O-CB 3.26Å; R276-S279 PolarHBondContact O-N 2.92Å; R276-S279 PolarHBondContact O-OG 2.96Å; R276-I280 HydrophobicContact CG-CD1 4.36Å; R276-I280 PolarHBondContact O-N 2.9Å
277N59.4Low62.8Low109 Ų10995 Ų9558%0.58346%0.461SS*.Hα-helixtrans-64.1-41-178-72.5-7.5000112.2V273 S279 I280V273-N277 PolarHBondContact O-N 3.29Å; V273-N277 VanDerWaalsContact O-N 3.08Å; N277-S279 VanDerWaalsContact C-N 3.28Å; N277-S279 PolarHBondContact O-N 2.9Å; N277-I280 PolarHBondContact O-N 3.35Å
278R59.5Low63Low108 Ų10893.9 Ų93.941%0.40846%0.455SS..Hα-helixtrans-64.6-31.7174.1-71.8178.1170.9166.2-4.3112.3R263 Q274 R276 Y282R263-R278 PolarHBondContact NH1-O 2.59Å; R263-R278 PolarHBondContact NH2-O 3.14Å; Q274-R278 VanDerWaalsContact CD-CZ 3.49Å; Q274-R278 VanDerWaalsContact NE2-CZ 3.3Å; Q274-R278 VanDerWaalsContact O-CB 3.25Å; Q274-R278 WeakPolarHBondContact O-CB 3.33Å; Q274-R278 VanDerWaalsContact O-CG 3.25Å; Q274-R278 WeakPolarHBondContact O-CG 3.08Å; Q274-R278 PolarHBondContact O-N 2.74Å; Q274-R278 VanDerWaalsContact O-N 3.13Å; R276-R278 PolarHBondContact O-N 2.84Å; R278-Y282 WeakPolarHBondContact O-CB 3.4Å; R278-Y282 PolarHBondContact O-N 2.99Å
279S59.6Low63.3Low39 Ų3983.9 Ų83.927%0.27342%0.419SS..Hα-helixtrans-67.3-39.7-179.977.20000111.7K275 R276 N277 N283K275-S279 VanDerWaalsContact O-CB 3.32Å; K275-S279 WeakPolarHBondContact O-CB 3.46Å; K275-S279 PolarHBondContact O-N 3.34Å; R276-S279 WeakPolarHBondContact O-CB 3.26Å; R276-S279 PolarHBondContact O-N 2.92Å; R276-S279 PolarHBondContact O-OG 2.96Å; N277-S279 VanDerWaalsContact C-N 3.28Å; N277-S279 PolarHBondContact O-N 2.9Å; S279-N283 WeakPolarHBondContact O-CB 3.18Å; S279-N283 PolarHBondContact O-N 3.25Å; S279-N283 PolarHBondContact O-ND2 3.46Å
280I58.7Low63.8Low106 Ų10681 Ų8154%0.54440%0.404SS..Hα-helixtrans-70.1-48.4-174.6-63.3166.2000111.3R276 N277R276-I280 HydrophobicContact CG-CD1 4.36Å; R276-I280 PolarHBondContact O-N 2.9Å; N277-I280 PolarHBondContact O-N 3.35Å
281G58.1Low64.4Low40 Ų4080.5 Ų80.541%0.41240%0.4SS..Hα-helixtrans-65-48.1-18000000113.2N283 R284 E285G281-N283 PolarHBondContact O-N 2.74Å; G281-R284 VanDerWaalsContact O-CB 3.31Å; G281-R284 WeakPolarHBondContact O-CB 3.29Å; G281-R284 PolarHBondContact O-N 3.49Å; G281-R284 VanDerWaalsContact O-N 3.1Å; G281-E285 PolarHBondContact O-N 3.32Å
282Y56.4Low65Low42 Ų4277 Ų7717%0.16538%0.376CS..Hα-helixtrans-70.8-31.8-177.6-173.3-102.5000113.5V256 Q259 R278 R284 E285 S286V256-Y282 PolarHBondContact O-OH 3.47Å; Q259-Y282 HydrophobicContact CB-CE2 4.32Å; R278-Y282 WeakPolarHBondContact O-CB 3.4Å; R278-Y282 PolarHBondContact O-N 2.99Å; Y282-R284 PolarHBondContact O-N 3.01Å; Y282-E285 PolarHBondContact O-N 2.71Å; Y282-S286 VanDerWaalsContact O-CB 3.3Å; Y282-S286 WeakPolarHBondContact O-CB 3.49Å; Y282-S286 PolarHBondContact O-N 2.78Å; Y282-S286 PolarHBondContact O-OG 3.46Å
283N63.6Low65.4Low76 Ų7671.9 Ų71.941%0.40635%0.349SS..Hα-helixtrans-62.1-27.5173.3-79.9-9.3000111.1S279 G281 S286 R287S279-N283 WeakPolarHBondContact O-CB 3.18Å; S279-N283 PolarHBondContact O-N 3.25Å; S279-N283 PolarHBondContact O-ND2 3.46Å; G281-N283 PolarHBondContact O-N 2.74Å; N283-S286 WeakPolarHBondContact CA-OG 3.23Å; N283-S286 PolarHBondContact O-OG 2.67Å; N283-R287 WeakPolarHBondContact O-CB 3.25Å; N283-R287 VanDerWaalsContact O-CD 3.25Å; N283-R287 WeakPolarHBondContact O-CD 3.41Å; N283-R287 WeakPolarHBondContact O-CG 3.47Å; N283-R287 PolarHBondContact O-N 3.47Å
284R63.5Low66.3Low116 Ų11668.8 Ų68.844%0.43833%0.331SS..Hα-helixtrans-74.1-48.8177.2-168.2-178.8-178.5-176.1-0.6111.6R51 V52 G281 Y282 A288R51-R284 PolarHBondContact O-NH2 3.47Å; V52-R284 VanDerWaalsContact C-NH2 3.28Å; V52-R284 PolarHBondContact O-NH2 2.88Å; G281-R284 VanDerWaalsContact O-CB 3.31Å; G281-R284 WeakPolarHBondContact O-CB 3.29Å; G281-R284 PolarHBondContact O-N 3.49Å; G281-R284 VanDerWaalsContact O-N 3.1Å; Y282-R284 PolarHBondContact O-N 3.01Å; R284-A288 PolarHBondContact O-N 2.8Å; R284-A288 VanDerWaalsContact O-N 3.11Å
285E64.7Low67.1Low125 Ų12565 Ų6558%0.58431%0.314SS*.Hα-helixtrans-68.2-46.2-179.8-69.5175.1178.400112G281 Y282 R287 A288 S289G281-E285 PolarHBondContact O-N 3.32Å; Y282-E285 PolarHBondContact O-N 2.71Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3Å; E285-A288 PolarHBondContact O-N 3.44Å; E285-A288 VanDerWaalsContact O-N 3.11Å; E285-S289 PolarHBondContact O-N 3.34Å; E285-S289 PolarHBondContact O-OG 3.06Å
286S66.7Low68Low26 Ų2661 Ų6118%0.18230%0.296CS..Hα-helixtrans-62-35.5177.358.10000112.7Y282 N283 L290Y282-S286 VanDerWaalsContact O-CB 3.3Å; Y282-S286 WeakPolarHBondContact O-CB 3.49Å; Y282-S286 PolarHBondContact O-N 2.78Å; Y282-S286 PolarHBondContact O-OG 3.46Å; N283-S286 WeakPolarHBondContact CA-OG 3.23Å; N283-S286 PolarHBondContact O-OG 2.67Å; S286-L290 WeakPolarHBondContact O-CB 3.39Å; S286-L290 PolarHBondContact O-N 3.48Å
287R69.7Low68.9Low122 Ų12256.8 Ų56.846%0.4629%0.286SS..Hα-helixtrans-67.7-38.2173.3-77.6175.7-176.8-170.1-0.2112.6N283 E285 L290 L291N283-R287 WeakPolarHBondContact O-CB 3.25Å; N283-R287 VanDerWaalsContact O-CD 3.25Å; N283-R287 WeakPolarHBondContact O-CD 3.41Å; N283-R287 WeakPolarHBondContact O-CG 3.47Å; N283-R287 PolarHBondContact O-N 3.47Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3Å; R287-L290 PolarHBondContact O-N 3.34Å; R287-L291 VanDerWaalsContact O-CB 3.3Å; R287-L291 WeakPolarHBondContact O-CB 3.46Å; R287-L291 PolarHBondContact O-N 3.47Å
288A67.6Low69.9Low8 Ų853.2 Ų53.27%0.06627%0.267CS..Hα-helixtrans-68.6-41176.100000111.8R284 E285 L290 L291 L292R284-A288 PolarHBondContact O-N 2.8Å; R284-A288 VanDerWaalsContact O-N 3.11Å; E285-A288 PolarHBondContact O-N 3.44Å; E285-A288 VanDerWaalsContact O-N 3.11Å; A288-L290 VanDerWaalsContact C-N 3.34Å; A288-L291 PolarHBondContact O-N 2.89Å; A288-L292 WeakPolarHBondContact O-CB 3.12Å; A288-L292 PolarHBondContact O-N 3.41Å
289S70.4Confident70.7Confident11 Ų1148.5 Ų48.58%0.07725%0.25CC..Hα-helixtrans-65.8-36.8173.1-61.40000112.2E285 L293E285-S289 PolarHBondContact O-N 3.34Å; E285-S289 PolarHBondContact O-OG 3.06Å; S289-L293 VanDerWaalsContact O-CB 3.28Å; S289-L293 WeakPolarHBondContact O-CB 3.45Å; S289-L293 PolarHBondContact O-N 3.45Å
290L76.1Confident71.7Confident85 Ų8548.2 Ų48.245%0.44525%0.245SC..Hα-helixtrans-70-42.1176.7-17559.4000111.5S286 R287 A288 L292 L293 T294 F357S286-L290 WeakPolarHBondContact O-CB 3.39Å; S286-L290 PolarHBondContact O-N 3.48Å; R287-L290 PolarHBondContact O-N 3.34Å; A288-L290 VanDerWaalsContact C-N 3.34Å; L290-L292 PolarHBondContact O-N 2.91Å; L290-L293 HydrophobicContact CD1-CD2 4.49Å; L290-L293 PolarHBondContact O-N 2.9Å; L290-T294 PolarHBondContact O-N 3.4Å; L290-T294 PolarHBondContact O-OG1 3.48Å; L290-F357 HydrophobicContact CB-CE1 4.05Å; L290-F357 HydrophobicContact CD2-CE1 3.51Å; L290-F357 HydrophobicContact CD2-CZ 4.08Å; L290-F357 HydrophobicContact CG-CE1 3.55Å; L290-F357 HydrophobicContact CG-CZ 3.78Å
291L76.9Confident72.8Confident5 Ų548.8 Ų48.83%0.02625%0.249CC..Hα-helixtrans-53.9-53.2171.1171.566.3000110.7F61 R287 A288 L293 T294 M295 L353 F357F61-L291 HydrophobicContact CE1-CD2 3.77Å; F61-L291 HydrophobicContact CE1-CG 4.49Å; F61-L291 HydrophobicContact CE2-CD2 4.38Å; F61-L291 HydrophobicContact CZ-CD2 3.5Å; F61-L291 HydrophobicContact CZ-CG 4.36Å; R287-L291 VanDerWaalsContact O-CB 3.3Å; R287-L291 WeakPolarHBondContact O-CB 3.46Å; R287-L291 PolarHBondContact O-N 3.47Å; A288-L291 PolarHBondContact O-N 2.89Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.15Å; L291-T294 PolarHBondContact O-N 3.24Å; L291-M295 HydrophobicContact CD1-CG 4.29Å; L291-M295 HydrophobicContact CD1-SD 4.07Å; L291-M295 HydrophobicContact CG-SD 4.07Å; L291-M295 VanDerWaalsContact O-CG 3.31Å; L291-M295 WeakPolarHBondContact O-CG 3.43Å; L291-M295 PolarHBondContact O-N 3.09Å; L291-L353 VanDerWaalsContact CD1-C 3.45Å; L291-L353 HydrophobicContact CD1-CB 3.61Å; L291-L353 VanDerWaalsContact CD1-O 3.26Å; L291-L353 WeakPolarHBondContact CD1-O 3.49Å; L291-F357 HydrophobicContact CB-CB 3.84Å; L291-F357 HydrophobicContact CB-CD1 4.44Å; L291-F357 HydrophobicContact CB-CD2 3.8Å; L291-F357 HydrophobicContact CB-CG 3.74Å; L291-F357 HydrophobicContact CD1-CB 4.01Å; L291-F357 HydrophobicContact CD1-CD2 3.48Å; L291-F357 VanDerWaalsContact CD1-CD2 3.48Å; L291-F357 HydrophobicContact CD1-CE2 4.35Å; L291-F357 HydrophobicContact CD1-CG 4.05Å; L291-F357 HydrophobicContact CD2-CB 4.36Å; L291-F357 HydrophobicContact CG-CB 4.29Å; L291-F357 HydrophobicContact CG-CD2 4.25Å; L291-F357 HydrophobicContact CG-CG 4.45Å
292L78.5Confident73.9Confident2 Ų247.2 Ų47.21%0.0123%0.231CC..Hα-helixtrans-56.9-47.8177-178.599.7000111.2L123 R127 I252 A288 L290 T294 M295 N296L123-L292 HydrophobicContact CB-CD1 4.37Å; L123-L292 HydrophobicContact CD1-CD1 4.37Å; L123-L292 HydrophobicContact CD2-CD1 3.57Å; L123-L292 HydrophobicContact CG-CD1 3.45Å; L123-L292 VanDerWaalsContact CG-CD1 3.45Å; R127-L292 HydrophobicContact CB-CD2 3.93Å; R127-L292 HydrophobicContact CG-CD1 4.13Å; R127-L292 HydrophobicContact CG-CD2 4.04Å; I252-L292 HydrophobicContact CD1-CD2 3.76Å; A288-L292 WeakPolarHBondContact O-CB 3.12Å; A288-L292 PolarHBondContact O-N 3.41Å; L290-L292 PolarHBondContact O-N 2.91Å; L292-T294 VanDerWaalsContact C-N 3.3Å; L292-T294 PolarHBondContact O-N 3.47Å; L292-M295 PolarHBondContact O-N 2.96Å; L292-N296 WeakPolarHBondContact O-CB 3.2Å; L292-N296 PolarHBondContact O-N 3.44Å; L292-N296 PolarHBondContact O-OD1 2.84Å
293L76.9Confident74.9Confident38 Ų3846.4 Ų46.420%0.19923%0.23CC..Hα-helixtrans-61.1-40.8-179.4-170.3117.9000111.3A253 S289 L290 L291 N296 I297A253-L293 HydrophobicContact CB-CD1 3.8Å; S289-L293 VanDerWaalsContact O-CB 3.28Å; S289-L293 WeakPolarHBondContact O-CB 3.45Å; S289-L293 PolarHBondContact O-N 3.45Å; L290-L293 HydrophobicContact CD1-CD2 4.49Å; L290-L293 PolarHBondContact O-N 2.9Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.15Å; L293-N296 PolarHBondContact O-N 3.19Å; L293-I297 HydrophobicContact CD2-CD1 3.67Å; L293-I297 HydrophobicContact CG-CD1 4.17Å; L293-I297 WeakPolarHBondContact O-CB 3.44Å; L293-I297 WeakPolarHBondContact O-CD1 3.28Å; L293-I297 WeakPolarHBondContact O-CG1 2.97Å; L293-I297 PolarHBondContact O-N 3.14Å
294T78.5Confident75.6Confident39 Ų3944 Ų4424%0.23922%0.218CC..Hα-helixtrans-67.9-42.6176.4-53.40000111.9L290 L291 L292 N296 I297 I298 L353L290-T294 PolarHBondContact O-N 3.4Å; L290-T294 PolarHBondContact O-OG1 3.48Å; L291-T294 PolarHBondContact O-N 3.24Å; L292-T294 VanDerWaalsContact C-N 3.3Å; L292-T294 PolarHBondContact O-N 3.47Å; T294-N296 VanDerWaalsContact C-N 3.33Å; T294-N296 PolarHBondContact O-N 2.95Å; T294-I297 PolarHBondContact O-N 2.99Å; T294-I298 PolarHBondContact O-N 3.42Å; T294-L353 HydrophobicContact CG2-CD1 3.93Å; T294-L353 HydrophobicContact CG2-CD2 3.46Å; T294-L353 VanDerWaalsContact CG2-CD2 3.46Å; T294-L353 HydrophobicContact CG2-CG 4.37Å
295M79.4Confident76.5Confident3 Ų342 Ų422%0.01522%0.216CC..Hα-helixtrans-60-45.8174.8-69.2177.978.100111.1F61 L64 Q120 L291 L292 I297 I298 T299 N350 L353 Y354F61-M295 HydrophobicContact CE1-SD 4.17Å; L64-M295 HydrophobicContact CD2-CE 3.34Å; Q120-M295 PolarHBondContact NE2-O 2.97Å; L291-M295 HydrophobicContact CD1-CG 4.29Å; L291-M295 HydrophobicContact CD1-SD 4.07Å; L291-M295 HydrophobicContact CG-SD 4.07Å; L291-M295 VanDerWaalsContact O-CG 3.31Å; L291-M295 WeakPolarHBondContact O-CG 3.43Å; L291-M295 PolarHBondContact O-N 3.09Å; L292-M295 PolarHBondContact O-N 2.96Å; M295-I297 VanDerWaalsContact C-N 3.34Å; M295-I297 PolarHBondContact O-N 3.46Å; M295-I298 PolarHBondContact O-N 3.48Å; M295-T299 PolarHBondContact O-N 3.46Å; M295-T299 PolarHBondContact O-OG1 2.9Å; M295-N350 HydrophobicContact CE-CB 4.27Å; M295-L353 HydrophobicContact CB-CD1 4.14Å; M295-L353 HydrophobicContact CG-CB 4.21Å; M295-L353 HydrophobicContact CG-CD1 3.42Å; M295-L353 VanDerWaalsContact CG-CD1 3.42Å; M295-L353 HydrophobicContact CG-CG 4.47Å; M295-Y354 HydrophobicContact CE-CE1 3.47Å; M295-Y354 VanDerWaalsContact CE-CE1 3.47Å; M295-Y354 VanDerWaalsContact CE-OH 3.31Å; M295-Y354 WeakPolarHBondContact CE-OH 3.41Å; M295-Y354 HydrophobicContact SD-CD1 4.42Å; M295-Y354 HydrophobicContact SD-CE1 3.77Å
296N81.8Confident77.2Confident1 Ų136.7 Ų36.71%0.00519%0.191CC..Hα-helixtrans-63.9-38.4177.3-69.7-3.6000111.7Q120 S124 M245 S249 L292 L293 T294 I298 T299 L300Q120-N296 PolarHBondContact NE2-OD1 2.89Å; S124-N296 PolarHBondContact OG-ND2 2.92Å; M245-N296 HydrophobicContact CG-CB 3.8Å; M245-N296 HydrophobicContact SD-CB 3.7Å; M245-N296 PolarHBondContact SD-OD1 3.14Å; M245-N296 VanDerWaalsContact SD-OD1 3.35Å; S249-N296 PolarHBondContact OG-ND2 3.09Å; L292-N296 WeakPolarHBondContact O-CB 3.2Å; L292-N296 PolarHBondContact O-N 3.44Å; L292-N296 PolarHBondContact O-OD1 2.84Å; L293-N296 PolarHBondContact O-N 3.19Å; T294-N296 VanDerWaalsContact C-N 3.33Å; T294-N296 PolarHBondContact O-N 2.95Å; N296-I298 VanDerWaalsContact C-N 3.32Å; N296-I298 PolarHBondContact O-N 3.3Å; N296-T299 PolarHBondContact O-N 2.88Å; N296-L300 WeakPolarHBondContact O-CB 3.17Å; N296-L300 WeakPolarHBondContact O-CG 3.35Å; N296-L300 PolarHBondContact O-N 3.26Å
297I81.1Confident77.7Confident92 Ų9236.6 Ų36.647%0.47219%0.188SC..Hα-helixtrans-60.6-42176.6-75.1163.3000111.3L293 T294 M295 L300 L301L293-I297 HydrophobicContact CD2-CD1 3.67Å; L293-I297 HydrophobicContact CG-CD1 4.17Å; L293-I297 WeakPolarHBondContact O-CB 3.44Å; L293-I297 WeakPolarHBondContact O-CD1 3.28Å; L293-I297 WeakPolarHBondContact O-CG1 2.97Å; L293-I297 PolarHBondContact O-N 3.14Å; T294-I297 PolarHBondContact O-N 2.99Å; M295-I297 VanDerWaalsContact C-N 3.34Å; M295-I297 PolarHBondContact O-N 3.46Å; I297-L300 PolarHBondContact O-N 3.3Å; I297-L301 WeakPolarHBondContact O-CB 3.27Å; I297-L301 PolarHBondContact O-N 2.89Å
298I79.9Confident78.2Confident34 Ų3434.8 Ų34.817%0.17419%0.187CC..Hα-helixtrans-61.9-50.5177.8-62.4177.9000109.6T294 M295 N296 L300 L301 T302 F345 L353T294-I298 PolarHBondContact O-N 3.42Å; M295-I298 PolarHBondContact O-N 3.48Å; N296-I298 VanDerWaalsContact C-N 3.32Å; N296-I298 PolarHBondContact O-N 3.3Å; I298-L300 VanDerWaalsContact C-N 3.34Å; I298-L300 PolarHBondContact O-N 3.27Å; I298-L301 WeakPolarHBondContact O-CB 3.1Å; I298-L301 PolarHBondContact O-N 3.45Å; I298-L301 VanDerWaalsContact O-N 3.07Å; I298-T302 PolarHBondContact O-N 3.04Å; I298-T302 PolarHBondContact O-OG1 3.26Å; I298-F345 HydrophobicContact CG2-CD1 4.06Å; I298-F345 HydrophobicContact CG2-CE1 4.41Å; I298-L353 HydrophobicContact CD1-CD1 3.73Å; I298-L353 HydrophobicContact CD1-CG 4.48Å
299T77.7Confident78.9Confident9 Ų935 Ų356%0.05519%0.186CC..Hα-helixtrans-62.5-39.1178-51.80000112.8Q120 M245 M295 N296 L301 T302 N303Q120-T299 VanDerWaalsContact CD-OG1 3.24Å; Q120-T299 PolarHBondContact NE2-OG1 3.48Å; Q120-T299 PolarHBondContact OE1-OG1 3.15Å; M245-T299 HydrophobicContact CE-CG2 3.59Å; M245-T299 HydrophobicContact SD-CG2 4.44Å; M295-T299 PolarHBondContact O-N 3.46Å; M295-T299 PolarHBondContact O-OG1 2.9Å; N296-T299 PolarHBondContact O-N 2.88Å; T299-L301 PolarHBondContact O-N 2.82Å; T299-T302 PolarHBondContact O-OG1 2.85Å; T299-N303 VanDerWaalsContact CG2-ND2 3.31Å; T299-N303 WeakPolarHBondContact CG2-ND2 3.49Å; T299-N303 WeakPolarHBondContact O-CB 3.33Å; T299-N303 PolarHBondContact O-N 2.94Å
300L79.5Confident79.1Confident32 Ų3236.1 Ų36.117%0.16819%0.19CC..Hα-helixtrans-67.7-22.2176.4-72.8172.1000111.9F242 M245 L246 N296 I297 I298 P304F242-L300 HydrophobicContact CD2-CD2 3.38Å; F242-L300 HydrophobicContact CE2-CB 4.12Å; F242-L300 HydrophobicContact CE2-CD2 3.16Å; F242-L300 HydrophobicContact CE2-CG 4.22Å; F242-L300 HydrophobicContact CG-CD2 4.29Å; F242-L300 HydrophobicContact CZ-CD2 3.97Å; M245-L300 HydrophobicContact CB-CD2 4.49Å; M245-L300 HydrophobicContact CE-CB 4.49Å; M245-L300 HydrophobicContact CE-CD2 3.51Å; M245-L300 HydrophobicContact CE-CG 3.58Å; M245-L300 HydrophobicContact CG-CD2 4.37Å; M245-L300 HydrophobicContact CG-CG 4.48Å; L246-L300 HydrophobicContact CB-CD2 4.03Å; L246-L300 HydrophobicContact CD1-CD2 4.31Å; N296-L300 WeakPolarHBondContact O-CB 3.17Å; N296-L300 WeakPolarHBondContact O-CG 3.35Å; N296-L300 PolarHBondContact O-N 3.26Å; I297-L300 PolarHBondContact O-N 3.3Å; I298-L300 VanDerWaalsContact C-N 3.34Å; I298-L300 PolarHBondContact O-N 3.27Å; L300-P304 WeakPolarHBondContact O-CD 3.47Å; L300-P304 WeakPolarHBondContact O-CG 3.23Å
301L82.4Confident79.1Confident119 Ų11937 Ų3762%0.62320%0.195SC*.Hα-helixtrans-85.7-43.7176.5-172.767.3000111I297 I298 T299 L305I297-L301 WeakPolarHBondContact O-CB 3.27Å; I297-L301 PolarHBondContact O-N 2.89Å; I298-L301 WeakPolarHBondContact O-CB 3.1Å; I298-L301 PolarHBondContact O-N 3.45Å; I298-L301 VanDerWaalsContact O-N 3.07Å; T299-L301 PolarHBondContact O-N 2.82Å; L301-L305 VanDerWaalsContact O-CD1 3.29Å; L301-L305 WeakPolarHBondContact O-CD1 3.41Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.32Å
302T80.8Confident79.2Confident7 Ų742.7 Ų42.74%0.04322%0.22CC..Hα-helixtrans-79.3-44.7-17354.60000113I298 T299 L305 F306 L342 F345I298-T302 PolarHBondContact O-N 3.04Å; I298-T302 PolarHBondContact O-OG1 3.26Å; T299-T302 PolarHBondContact O-OG1 2.85Å; T302-L305 PolarHBondContact O-N 3.49Å; T302-F306 PolarHBondContact O-N 3.3Å; T302-L342 VanDerWaalsContact CB-O 3.29Å; T302-L342 WeakPolarHBondContact CB-O 3.41Å; T302-L342 HydrophobicContact CG2-CB 4.46Å; T302-L342 WeakPolarHBondContact CG2-O 3.33Å; T302-F345 HydrophobicContact CG2-CB 4.19Å; T302-F345 HydrophobicContact CG2-CD1 4.09Å
303N78.3Confident78.9Confident25 Ų2542.7 Ų42.713%0.13422%0.22CC..Hα-helixtrans-68.5-42-171.9-68.97.7000113.5N117 T299 L305 F306 L307N117-N303 PolarHBondContact OD1-ND2 3Å; T299-N303 VanDerWaalsContact CG2-ND2 3.31Å; T299-N303 WeakPolarHBondContact CG2-ND2 3.49Å; T299-N303 WeakPolarHBondContact O-CB 3.33Å; T299-N303 PolarHBondContact O-N 2.94Å; N303-L305 VanDerWaalsContact C-N 3.31Å; N303-L305 PolarHBondContact O-N 2.96Å; N303-F306 PolarHBondContact O-N 3.4Å; N303-L307 WeakPolarHBondContact O-CB 3.5Å; N303-L307 WeakPolarHBondContact O-CG 3.21Å; N303-L307 PolarHBondContact O-N 2.95Å
304P78.2Confident78.1Confident25 Ų2541 Ų4116%0.16221%0.212CC..Hα-helixtrans-66.2-33.6176.7-25.738.6000113.3F242 L300 F306 L307 L308F242-P304 HydrophobicContact CD2-CG 3.62Å; F242-P304 HydrophobicContact CE1-CG 4.5Å; F242-P304 HydrophobicContact CE2-CB 4.36Å; F242-P304 HydrophobicContact CE2-CG 3.08Å; F242-P304 HydrophobicContact CZ-CG 3.61Å; L300-P304 WeakPolarHBondContact O-CD 3.47Å; L300-P304 WeakPolarHBondContact O-CG 3.23Å; P304-F306 VanDerWaalsContact C-N 3.33Å; P304-L307 PolarHBondContact O-N 2.87Å; P304-L308 VanDerWaalsContact O-CB 3.28Å; P304-L308 WeakPolarHBondContact O-CB 3.45Å; P304-L308 WeakPolarHBondContact O-CG 3.33Å; P304-L308 PolarHBondContact O-N 3.35Å
305L81.8Confident77.4Confident75 Ų7540 Ų4039%0.39321%0.205SC..Hα-helixtrans-63.8-43.2176.5-72176.7000110.7L301 T302 N303 F309 F339L301-L305 VanDerWaalsContact O-CD1 3.29Å; L301-L305 WeakPolarHBondContact O-CD1 3.41Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.32Å; T302-L305 PolarHBondContact O-N 3.49Å; N303-L305 VanDerWaalsContact C-N 3.31Å; N303-L305 PolarHBondContact O-N 2.96Å; L305-F309 WeakPolarHBondContact O-CB 3.36Å; L305-F309 PolarHBondContact O-N 2.79Å; L305-F339 HydrophobicContact CB-CD1 4.26Å; L305-F339 HydrophobicContact CB-CE1 4.02Å
306F79.6Confident76.4Confident12 Ų1240.7 Ų40.75%0.05321%0.212CC..Hα-helixtrans-59.2-52.6171.5-178.5-108.1000111.7T302 N303 P304 L308 F309 E310 F339 N340 I343T302-F306 PolarHBondContact O-N 3.3Å; N303-F306 PolarHBondContact O-N 3.4Å; P304-F306 VanDerWaalsContact C-N 3.33Å; F306-L308 PolarHBondContact O-N 3.43Å; F306-F309 PolarHBondContact O-N 3.44Å; F306-E310 HydrophobicContact CE1-CG 4.47Å; F306-E310 WeakPolarHBondContact CE1-OE2 3.18Å; F306-E310 HydrophobicContact CZ-CG 4.23Å; F306-E310 WeakPolarHBondContact O-CB 3.43Å; F306-E310 PolarHBondContact O-N 3.35Å; F306-F339 HydrophobicContact CD2-CB 3.81Å; F306-F339 WeakPolarHBondContact CD2-O 3.24Å; F306-F339 HydrophobicContact CE2-CB 4.47Å; F306-N340 WeakPolarHBondContact CE2-OD1 3.24Å; F306-N340 WeakPolarHBondContact CZ-OD1 2.94Å; F306-I343 HydrophobicContact CB-CG1 4.14Å; F306-I343 HydrophobicContact CD1-CD1 3.55Å; F306-I343 HydrophobicContact CD1-CG1 4.06Å; F306-I343 HydrophobicContact CD2-CD1 3.77Å; F306-I343 HydrophobicContact CD2-CG1 4.03Å; F306-I343 HydrophobicContact CE1-CD1 3.54Å; F306-I343 HydrophobicContact CE2-CD1 3.88Å; F306-I343 HydrophobicContact CG-CD1 3.67Å; F306-I343 HydrophobicContact CG-CG1 3.79Å; F306-I343 HydrophobicContact CZ-CD1 3.76Å
307L77.4Confident75.2Confident25 Ų2542 Ų4213%0.13122%0.222CC..Hα-helixtrans-56.3-45.7179.6-77.9169.4000113.3L234 R238 N303 P304 E310 L311L234-L307 HydrophobicContact CD2-CD2 3.32Å; R238-L307 HydrophobicContact CB-CD1 4.05Å; R238-L307 HydrophobicContact CB-CD2 3.92Å; R238-L307 HydrophobicContact CB-CG 4.45Å; R238-L307 VanDerWaalsContact CD-CD2 3.41Å; R238-L307 HydrophobicContact CG-CD2 4.36Å; N303-L307 WeakPolarHBondContact O-CB 3.5Å; N303-L307 WeakPolarHBondContact O-CG 3.21Å; N303-L307 PolarHBondContact O-N 2.95Å; P304-L307 PolarHBondContact O-N 2.87Å; L307-E310 PolarHBondContact O-N 3.05Å; L307-L311 VanDerWaalsContact O-CB 3.27Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 PolarHBondContact O-N 3.43Å
308L80.4Confident74Confident84 Ų8440 Ų4044%0.4421%0.21SC..Hα-helixtrans-65.1-44.6179.5-75170.1000110.4P304 F306 L311 F312P304-L308 VanDerWaalsContact O-CB 3.28Å; P304-L308 WeakPolarHBondContact O-CB 3.45Å; P304-L308 WeakPolarHBondContact O-CG 3.33Å; P304-L308 PolarHBondContact O-N 3.35Å; F306-L308 PolarHBondContact O-N 3.43Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-F312 HydrophobicContact CB-CD2 4.26Å; L308-F312 HydrophobicContact CB-CE2 4.13Å; L308-F312 HydrophobicContact CD2-CE2 3.96Å; L308-F312 HydrophobicContact CD2-CZ 4.4Å; L308-F312 WeakPolarHBondContact O-CB 3.37Å; L308-F312 WeakPolarHBondContact O-CD2 3.34Å; L308-F312 WeakPolarHBondContact O-CG 3.46Å; L308-F312 PolarHBondContact O-N 3.23Å
309F80.6Confident72.7Confident12 Ų1240.2 Ų40.25%0.05322%0.221CC..Hα-helixtrans-61-47.7175.8177.9-98.7000111.6L305 F306 L311 F312 D313 L325 L335 R336 F339L305-F309 WeakPolarHBondContact O-CB 3.36Å; L305-F309 PolarHBondContact O-N 2.79Å; F306-F309 PolarHBondContact O-N 3.44Å; F309-L311 VanDerWaalsContact C-N 3.28Å; F309-L311 PolarHBondContact O-N 3.09Å; F309-F312 PolarHBondContact O-N 3.38Å; F309-D313 HydrophobicContact CE1-CB 4.19Å; F309-D313 HydrophobicContact CE2-CB 4.13Å; F309-D313 HydrophobicContact CZ-CB 3.93Å; F309-D313 WeakPolarHBondContact CZ-OD2 3.37Å; F309-D313 VanDerWaalsContact O-CB 3.31Å; F309-D313 WeakPolarHBondContact O-CB 3.5Å; F309-D313 PolarHBondContact O-N 3.33Å; F309-L325 HydrophobicContact CD2-CD2 4.2Å; F309-L325 HydrophobicContact CE2-CD2 4.29Å; F309-L335 HydrophobicContact CD2-CB 4.42Å; F309-L335 HydrophobicContact CE1-CB 4.43Å; F309-L335 HydrophobicContact CE2-CB 3.51Å; F309-L335 HydrophobicContact CE2-CD1 3.89Å; F309-L335 HydrophobicContact CE2-CG 4.33Å; F309-L335 HydrophobicContact CZ-CB 3.52Å; F309-R336 HydrophobicContact CE1-CB 3.9Å; F309-R336 HydrophobicContact CE1-CG 4.41Å; F309-R336 HydrophobicContact CZ-CB 4.4Å; F309-F339 HydrophobicContact CB-CD1 4.28Å; F309-F339 HydrophobicContact CB-CD2 3.64Å; F309-F339 HydrophobicContact CB-CE1 4.43Å; F309-F339 HydrophobicContact CB-CE2 3.8Å; F309-F339 HydrophobicContact CB-CG 3.93Å; F309-F339 HydrophobicContact CB-CZ 4.21Å; F309-F339 HydrophobicContact CD1-CB 4.18Å; F309-F339 AromaticContact CD1-CD2 3.58Å; F309-F339 HydrophobicContact CD1-CD2 3.58Å; F309-F339 HydrophobicContact CD1-CE2 4.31Å; F309-F339 HydrophobicContact CD1-CG 4.13Å; F309-F339 AromaticContact CD2-CD2 3.48Å; F309-F339 HydrophobicContact CD2-CD2 3.48Å; F309-F339 VanDerWaalsContact CD2-CD2 3.48Å; F309-F339 AromaticContact CD2-CE2 3.33Å; F309-F339 HydrophobicContact CD2-CE2 3.33Å; F309-F339 HydrophobicContact CD2-CZ 4.3Å; F309-F339 HydrophobicContact CE1-CD2 4.12Å; F309-F339 HydrophobicContact CE2-CD2 4.02Å; F309-F339 AromaticContact CE2-CE2 3.99Å; F309-F339 HydrophobicContact CE2-CE2 3.99Å; F309-F339 HydrophobicContact CG-CB 4.45Å; F309-F339 AromaticContact CG-CD2 3.23Å; F309-F339 HydrophobicContact CG-CD2 3.23Å; F309-F339 AromaticContact CG-CE2 3.53Å; F309-F339 HydrophobicContact CG-CE2 3.53Å; F309-F339 AromaticContact CG-CG 3.93Å; F309-F339 HydrophobicContact CG-CG 3.93Å; F309-F339 HydrophobicContact CG-CZ 4.4Å; F309-F339 HydrophobicContact CZ-CD2 4.32Å
310E75.7Confident71.9Confident34 Ų3447.4 Ų47.416%0.15925%0.247CC..Hα-helixtrans-61.5-36.4179.6-140.6-176.1178.200112.3Y230 R238 F306 L307 G314Y230-E310 HydrophobicContact CE2-CG 4.35Å; Y230-E310 VanDerWaalsContact CE2-OE1 3.27Å; Y230-E310 WeakPolarHBondContact CE2-OE1 3.29Å; Y230-E310 WeakPolarHBondContact OH-CB 2.98Å; Y230-E310 WeakPolarHBondContact OH-CG 3.07Å; Y230-E310 PolarHBondContact OH-OE1 3.45Å; Y230-E310 PolarHBondContact OH-OE2 2.81Å; R238-E310 IonicContact CZ-OE2 3.43Å; R238-E310 IonicContact NH1-OE2 3.94Å; R238-E310 PolarHBondContact NH1-OE2 3.44Å; R238-E310 IonicContact NH2-OE1 3.88Å; R238-E310 IonicContact NH2-OE2 3.3Å; R238-E310 PolarHBondContact NH2-OE2 2.7Å; F306-E310 HydrophobicContact CE1-CG 4.47Å; F306-E310 WeakPolarHBondContact CE1-OE2 3.18Å; F306-E310 HydrophobicContact CZ-CG 4.23Å; F306-E310 WeakPolarHBondContact O-CB 3.43Å; F306-E310 PolarHBondContact O-N 3.35Å; L307-E310 PolarHBondContact O-N 3.05Å; E310-G314 PolarHBondContact O-N 3.39Å
311L76.1Confident71.1Confident104 Ų10448.5 Ų48.555%0.54526%0.255SS..Hα-helixtrans-72.1-41176.3-171.869.2000112.2L307 L308 F309L307-L311 VanDerWaalsContact O-CB 3.27Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 PolarHBondContact O-N 3.43Å; L308-L311 PolarHBondContact O-N 3.47Å; F309-L311 VanDerWaalsContact C-N 3.28Å; F309-L311 PolarHBondContact O-N 3.09Å
312F78.9Confident70Confident125 Ų12544.2 Ų44.255%0.54824%0.237SC..Hα-helixtrans-79.5-41.3-177.3-72.7-48.8000113.6L308 F309 G314 L325L308-F312 HydrophobicContact CB-CD2 4.26Å; L308-F312 HydrophobicContact CB-CE2 4.13Å; L308-F312 HydrophobicContact CD2-CE2 3.96Å; L308-F312 HydrophobicContact CD2-CZ 4.4Å; L308-F312 WeakPolarHBondContact O-CB 3.37Å; L308-F312 WeakPolarHBondContact O-CD2 3.34Å; L308-F312 WeakPolarHBondContact O-CG 3.46Å; L308-F312 PolarHBondContact O-N 3.23Å; F309-F312 PolarHBondContact O-N 3.38Å; F312-G314 PolarHBondContact O-N 2.83Å; F312-L325 HydrophobicContact CB-CD1 4.46Å
313D71.1Confident69.6Low1 Ų144.1 Ų44.11%0.00524%0.237CC..Hα-helixtrans-71.4-20.4179-153.931.4000111.2F309 E315 A323 K324 L325 S332F309-D313 HydrophobicContact CE1-CB 4.19Å; F309-D313 HydrophobicContact CE2-CB 4.13Å; F309-D313 HydrophobicContact CZ-CB 3.93Å; F309-D313 WeakPolarHBondContact CZ-OD2 3.37Å; F309-D313 VanDerWaalsContact O-CB 3.31Å; F309-D313 WeakPolarHBondContact O-CB 3.5Å; F309-D313 PolarHBondContact O-N 3.33Å; D313-E315 PolarHBondContact O-N 3.24Å; D313-E315 VanDerWaalsContact O-N 3.1Å; D313-A323 WeakPolarHBondContact OD1-CA 3.04Å; D313-K324 PolarHBondContact OD1-N 3.22Å; D313-L325 PolarHBondContact OD1-N 3.4Å; D313-S332 PolarHBondContact OD2-OG 2.73Å
314G61.3Low69.4Low4 Ų448.7 Ų48.74%0.04126%0.256CS..  trans74.9-6.5170.300000114.3E310 F312 G316 S317 E318E310-G314 PolarHBondContact O-N 3.39Å; F312-G314 PolarHBondContact O-N 2.83Å; G314-G316 VanDerWaalsContact C-N 3.31Å; G314-G316 PolarHBondContact O-N 2.97Å; G314-S317 PolarHBondContact O-N 2.97Å; G314-E318 WeakPolarHBondContact O-CB 3.38Å; G314-E318 WeakPolarHBondContact O-CG 3.24Å; G314-E318 PolarHBondContact O-N 3.16Å
315E63.7Low69.4Low17 Ų1752.2 Ų52.28%0.07927%0.273CS..Hα-helixtrans-59.9-40.7-177.1-59.1-157.3145.300112.3D313 G319 R320 T321 S332 R336D313-E315 PolarHBondContact O-N 3.24Å; D313-E315 VanDerWaalsContact O-N 3.1Å; E315-G319 CarbonylContact O-C 3.59Å; E315-G319 WeakPolarHBondContact O-CA 3.43Å; E315-G319 PolarHBondContact O-N 3.33Å; E315-R320 WeakPolarHBondContact CA-O 3.33Å; E315-R320 PolarHBondContact O-N 2.94Å; E315-T321 WeakPolarHBondContact OE1-CA 3.08Å; E315-T321 WeakPolarHBondContact OE1-CB 3.07Å; E315-T321 VanDerWaalsContact OE1-CG2 3.31Å; E315-T321 WeakPolarHBondContact OE1-CG2 3.39Å; E315-S332 PolarHBondContact OE1-OG 3.01Å; E315-R336 WeakPolarHBondContact OE2-CD 3.35Å; E315-R336 IonicContact OE2-CZ 3.73Å; E315-R336 IonicContact OE2-NE 3.71Å; E315-R336 IonicContact OE2-NH1 3.73Å; E315-R336 PolarHBondContact OE2-NH1 2.83Å
316G58Low69.3Low17 Ų1750.8 Ų50.818%0.17527%0.267CS..Hα-helixtrans-68.7-40.4177.900000112.8Y230 G314Y230-G316 VanDerWaalsContact CE1-C 3.47Å; Y230-G316 VanDerWaalsContact CZ-C 3.49Å; G314-G316 VanDerWaalsContact C-N 3.31Å; G314-G316 PolarHBondContact O-N 2.97Å
317S56Low69.2Low29 Ų2953.7 Ų53.720%0.20330%0.301CS..Hα-helixtrans-75.7-27.9-179.1179.10000113.6G314G314-S317 PolarHBondContact O-N 2.97Å
318E56.2Low69.4Low49 Ų4953.5 Ų53.523%0.22930%0.3CS..Hα-helixtrans-99-13.3177.9-57.6-165.9168.800112R209 G314 R320 K324R209-E318 PolarHBondContact NH1-O 3.42Å; R209-E318 PolarHBondContact NH2-O 3.2Å; G314-E318 WeakPolarHBondContact O-CB 3.38Å; G314-E318 WeakPolarHBondContact O-CG 3.24Å; G314-E318 PolarHBondContact O-N 3.16Å; E318-R320 HydrophobicContact CB-CG 3.81Å; E318-R320 PolarHBondContact O-N 3.34Å; E318-R320 VanDerWaalsContact O-N 3.09Å; E318-R320 IonicContact OE2-CZ 2.74Å; E318-R320 VanDerWaalsContact OE2-CZ 3.3Å; E318-R320 IonicContact OE2-NE 3.68Å; E318-R320 PolarHBondContact OE2-NE 3.29Å; E318-R320 IonicContact OE2-NH2 3.84Å; E318-R320 PolarHBondContact OE2-NH2 2.88Å; E318-K324 WeakPolarHBondContact OE1-CE 3.41Å; E318-K324 IonicContact OE1-NZ 2.58Å; E318-K324 PolarHBondContact OE1-NZ 3.04Å
319G54.2Low69.3Low39 Ų3952.6 Ų52.640%0.40230%0.295SS..SBendtrans5713.3-17300000114.4R209 E315R209-G319 PolarHBondContact NH2-O 2.81Å; E315-G319 CarbonylContact O-C 3.59Å; E315-G319 WeakPolarHBondContact O-CA 3.43Å; E315-G319 PolarHBondContact O-N 3.33Å
320R58.9Low69.4Low161 Ų16152 Ų5261%0.60829%0.292SS*.SBendtrans-124.7151179.364.5179.3-179.3149.51.8107.9E315 E318 A322E315-R320 WeakPolarHBondContact CA-O 3.33Å; E315-R320 PolarHBondContact O-N 2.94Å; E318-R320 HydrophobicContact CB-CG 3.81Å; E318-R320 PolarHBondContact O-N 3.34Å; E318-R320 VanDerWaalsContact O-N 3.09Å; E318-R320 IonicContact OE2-CZ 2.74Å; E318-R320 VanDerWaalsContact OE2-CZ 3.3Å; E318-R320 IonicContact OE2-NE 3.68Å; E318-R320 PolarHBondContact OE2-NE 3.29Å; E318-R320 IonicContact OE2-NH2 3.84Å; E318-R320 PolarHBondContact OE2-NH2 2.88Å; R320-A322 PolarHBondContact O-N 2.87Å
321T63.1Low69.8Low54 Ų5453.4 Ų53.433%0.33130%0.3SS..  trans-66.8112.1174.649.50000109.8Y5 E315Y5-T321 HydrophobicContact CD1-CG2 3.31Å; Y5-T321 HydrophobicContact CE1-CG2 3.23Å; Y5-T321 HydrophobicContact CG-CG2 4.36Å; E315-T321 WeakPolarHBondContact OE1-CA 3.08Å; E315-T321 WeakPolarHBondContact OE1-CB 3.07Å; E315-T321 VanDerWaalsContact OE1-CG2 3.31Å; E315-T321 WeakPolarHBondContact OE1-CG2 3.39Å
322A59.8Low70.1Confident30 Ų3048.4 Ų48.425%0.24827%0.274CS..  trans-112.2-18.6-174.100000111.7R320 K324R320-A322 PolarHBondContact O-N 2.87Å; A322-K324 HydrophobicContact CB-CD 4.37Å; A322-K324 HydrophobicContact CB-CG 3.74Å; A322-K324 PolarHBondContact O-N 2.95Å
323A71.7Confident70.2Confident5 Ų542.9 Ų42.94%0.04125%0.249CC..  trans37.339.3-178.200000113.1D313 L325 T326 G327 L329D313-A323 WeakPolarHBondContact OD1-CA 3.04Å; A323-L325 PolarHBondContact O-N 3.26Å; A323-T326 PolarHBondContact O-N 2.03Å; A323-G327 WeakPolarHBondContact O-CA 3.03Å; A323-G327 PolarHBondContact O-N 2.9Å; A323-L329 HydrophobicContact CB-CD2 3.87Å; A323-L329 HydrophobicContact CB-CG 4.3Å
324K75.3Confident70.9Confident120 Ų12043.5 Ų43.552%0.52225%0.254SS..THydrogen-bonded Turntrans-65.7-31.7-166.4-71.5-172.2176.3-173.40112D313 E318 A322D313-K324 PolarHBondContact OD1-N 3.22Å; E318-K324 WeakPolarHBondContact OE1-CE 3.41Å; E318-K324 IonicContact OE1-NZ 2.58Å; E318-K324 PolarHBondContact OE1-NZ 3.04Å; A322-K324 HydrophobicContact CB-CD 4.37Å; A322-K324 HydrophobicContact CB-CG 3.74Å; A322-K324 PolarHBondContact O-N 2.95Å
325L77.5Confident72Confident100 Ų10045.8 Ų45.852%0.52427%0.265SS..THydrogen-bonded Turntrans-78.9-38.5-175.3-174.264.5000111.8F309 F312 D313 A323F309-L325 HydrophobicContact CD2-CD2 4.2Å; F309-L325 HydrophobicContact CE2-CD2 4.29Å; F312-L325 HydrophobicContact CB-CD1 4.46Å; D313-L325 PolarHBondContact OD1-N 3.4Å; A323-L325 PolarHBondContact O-N 3.26Å
326T79.9Confident73Confident45 Ų4547.1 Ų47.128%0.27627%0.269SS..THydrogen-bonded Turntrans-101.3-24.5-172.757.60000113.3A323 D328 I331 S332 L335A323-T326 PolarHBondContact O-N 2.03Å; T326-D328 PolarHBondContact O-N 3.19Å; T326-D328 VanDerWaalsContact O-N 3.17Å; T326-D328 PolarHBondContact OG1-N 3.2Å; T326-D328 PolarHBondContact OG1-O 2.87Å; T326-I331 HydrophobicContact CG2-CB 4.36Å; T326-I331 HydrophobicContact CG2-CG2 3.85Å; T326-S332 WeakPolarHBondContact OG1-CB 3.34Å; T326-L335 HydrophobicContact CG2-CD1 3.61Å
327G78Confident74.3Confident73 Ų7346.6 Ų46.675%0.75326%0.262SS*.SBendtrans68.7-2.4-168.400000114.3A323A323-G327 WeakPolarHBondContact O-CA 3.03Å; A323-G327 PolarHBondContact O-N 2.9Å
328D81.2Confident75.8Confident21 Ų2148.8 Ų48.811%0.11227%0.268CS..  trans-126117.3-176.8-176.2-36.4000109.1H10 S12 T326 C330 I331 S332H10-D328 VanDerWaalsContact CE1-CG 3.49Å; H10-D328 IonicContact CE1-OD1 3.82Å; H10-D328 PolarHBondContact CE1-OD1 3.32Å; H10-D328 VanDerWaalsContact CE1-OD1 3.3Å; H10-D328 IonicContact CE1-OD2 3.39Å; H10-D328 PolarHBondContact CE1-OD2 2.91Å; H10-D328 IonicContact ND1-OD1 3.3Å; H10-D328 IonicContact ND1-OD2 2.79Å; S12-D328 VanDerWaalsContact CB-OD2 3.22Å; S12-D328 WeakPolarHBondContact CB-OD2 3.38Å; S12-D328 PolarHBondContact OG-OD2 3.25Å; T326-D328 PolarHBondContact O-N 3.19Å; T326-D328 VanDerWaalsContact O-N 3.17Å; T326-D328 PolarHBondContact OG1-N 3.2Å; T326-D328 PolarHBondContact OG1-O 2.87Å; D328-C330 VanDerWaalsContact C-N 3.33Å; D328-C330 PolarHBondContact O-N 3.44Å; D328-C330 VanDerWaalsContact OD1-CB 3.32Å; D328-C330 WeakPolarHBondContact OD1-CB 3.36Å; D328-C330 PolarHBondContact OD1-N 3.13Å; D328-I331 HydrophobicContact CB-CB 4.14Å; D328-I331 HydrophobicContact CB-CD1 3.91Å; D328-I331 HydrophobicContact CB-CG1 3.97Å; D328-I331 PolarHBondContact O-N 3.36Å; D328-I331 PolarHBondContact OD1-N 3.22Å; D328-S332 WeakPolarHBondContact O-CB 3.31Å; D328-S332 PolarHBondContact O-N 3.46Å
329L79Confident77.2Confident64 Ų6448.1 Ų48.134%0.33526%0.264SS..Hα-helixtrans-63-35.9-177.1-67.6162.7000112.6Y5 A323 W333Y5-L329 WeakPolarHBondContact O-CB 3.49Å; A323-L329 HydrophobicContact CB-CD2 3.87Å; A323-L329 HydrophobicContact CB-CG 4.3Å; L329-W333 VanDerWaalsContact O-CB 3.3Å; L329-W333 WeakPolarHBondContact O-CB 3.37Å; L329-W333 PolarHBondContact O-N 3.49Å
330C82Confident78.6Confident0 Ų048.1 Ų48.10%026%0.255CS..Hα-helixtrans-68.4-40.5178.6-59.40000111.3C6 H10 D328 T334C6-C330 VanDerWaalsContact CA-SG 3.54Å; C6-C330 HydrophobicContact CB-CB 3.86Å; C6-C330 WeakPolarHBondContact CB-SG 3.38Å; C6-C330 WeakPolarHBondContact SG-CB 2.96Å; C6-C330 CovalentContact SG-SG 2.02Å; C6-C330 PolarHBondContact SG-SG 3.22Å; H10-C330 VanDerWaalsContact CG-SG 3.6Å; H10-C330 PolarHBondContact ND1-SG 3.25Å; H10-C330 VanDerWaalsContact ND1-SG 3.42Å; D328-C330 VanDerWaalsContact C-N 3.33Å; D328-C330 PolarHBondContact O-N 3.44Å; D328-C330 VanDerWaalsContact OD1-CB 3.32Å; D328-C330 WeakPolarHBondContact OD1-CB 3.36Å; D328-C330 PolarHBondContact OD1-N 3.13Å; C330-T334 WeakPolarHBondContact O-CB 3.2Å; C330-T334 PolarHBondContact O-N 3.46Å; C330-T334 PolarHBondContact O-OG1 3.07Å
331I83.7Confident79.9Confident63 Ų6340.7 Ų40.732%0.32323%0.227SC..Hα-helixtrans-71.4-43.6178-57.2178.7000110.1T326 D328 W333 T334 L335T326-I331 HydrophobicContact CG2-CB 4.36Å; T326-I331 HydrophobicContact CG2-CG2 3.85Å; D328-I331 HydrophobicContact CB-CB 4.14Å; D328-I331 HydrophobicContact CB-CD1 3.91Å; D328-I331 HydrophobicContact CB-CG1 3.97Å; D328-I331 PolarHBondContact O-N 3.36Å; D328-I331 PolarHBondContact OD1-N 3.22Å; I331-W333 PolarHBondContact O-N 2.64Å; I331-T334 WeakPolarHBondContact O-CB 3Å; I331-T334 PolarHBondContact O-N 3.22Å; I331-L335 HydrophobicContact CG2-CD1 4.14Å; I331-L335 HydrophobicContact CG2-CG 4.35Å; I331-L335 WeakPolarHBondContact O-CB 3.46Å; I331-L335 WeakPolarHBondContact O-CG 3.17Å; I331-L335 PolarHBondContact O-N 3Å
332S82.1Confident81Confident0 Ų039.4 Ų39.40%022%0.219CC..Hα-helixtrans-59.1-45.9175.4157.40000110.9D313 E315 T326 D328 T334 L335 R336D313-S332 PolarHBondContact OD2-OG 2.73Å; E315-S332 PolarHBondContact OE1-OG 3.01Å; T326-S332 WeakPolarHBondContact OG1-CB 3.34Å; D328-S332 WeakPolarHBondContact O-CB 3.31Å; D328-S332 PolarHBondContact O-N 3.46Å; S332-T334 PolarHBondContact O-N 3.29Å; S332-L335 PolarHBondContact O-N 3.27Å; S332-R336 WeakPolarHBondContact O-CB 3.37Å; S332-R336 PolarHBondContact O-N 3Å
333W81.8Confident82.1Confident8 Ų839.3 Ų39.33%0.0321%0.213CC..Hα-helixtrans-58.5-45.4173.6-178.892.4000112.2L2 Y5 A16 I20 V83 L329 I331 L335 R336 Q337L2-W333 HydrophobicContact CD1-CD2 3.93Å; L2-W333 HydrophobicContact CD1-CE3 3.73Å; L2-W333 HydrophobicContact CD1-CH2 4.03Å; L2-W333 HydrophobicContact CD1-CZ2 4.19Å; L2-W333 HydrophobicContact CD1-CZ3 3.79Å; Y5-W333 AromaticContact CD2-CD1 3.62Å; Y5-W333 AromaticContact CD2-NE1 3.91Å; A16-W333 HydrophobicContact CB-CE3 4.32Å; A16-W333 HydrophobicContact CB-CZ3 4.29Å; I20-W333 HydrophobicContact CD1-CH2 3.8Å; I20-W333 HydrophobicContact CD1-CZ3 4.13Å; I20-W333 HydrophobicContact CG1-CH2 4Å; I20-W333 HydrophobicContact CG1-CZ3 4.22Å; V83-W333 HydrophobicContact CG1-CH2 4.21Å; V83-W333 HydrophobicContact CG2-CZ2 4.4Å; L329-W333 VanDerWaalsContact O-CB 3.3Å; L329-W333 WeakPolarHBondContact O-CB 3.37Å; L329-W333 PolarHBondContact O-N 3.49Å; I331-W333 PolarHBondContact O-N 2.64Å; W333-L335 PolarHBondContact O-N 2.02Å; W333-R336 WeakPolarHBondContact O-CB 3.34Å; W333-R336 PolarHBondContact O-N 3.4Å; W333-Q337 HydrophobicContact CD2-CG 4Å; W333-Q337 HydrophobicContact CE3-CG 4.17Å; W333-Q337 HydrophobicContact CH2-CG 3.85Å; W333-Q337 HydrophobicContact CZ2-CG 3.67Å; W333-Q337 HydrophobicContact CZ3-CG 4.09Å; W333-Q337 WeakPolarHBondContact O-CG 3.27Å; W333-Q337 PolarHBondContact O-N 2.99Å
334T84.8Confident82.8Confident15 Ų1539.7 Ų39.79%0.09221%0.214CC..Hα-helixtrans-60.5-47.1178.6-60.70000111.4F19 C330 I331 S332 Q337 F338F19-T334 HydrophobicContact CB-CG2 3.81Å; F19-T334 HydrophobicContact CD1-CG2 3.71Å; F19-T334 HydrophobicContact CD2-CG2 4.03Å; F19-T334 HydrophobicContact CE1-CG2 4.23Å; F19-T334 HydrophobicContact CG-CG2 3.58Å; C330-T334 WeakPolarHBondContact O-CB 3.2Å; C330-T334 PolarHBondContact O-N 3.46Å; C330-T334 PolarHBondContact O-OG1 3.07Å; I331-T334 WeakPolarHBondContact O-CB 3Å; I331-T334 PolarHBondContact O-N 3.22Å; S332-T334 PolarHBondContact O-N 3.29Å; T334-Q337 PolarHBondContact O-N 3.31Å; T334-F338 WeakPolarHBondContact O-CB 3.41Å; T334-F338 PolarHBondContact O-N 3.48Å
335L86.1Confident83.3Confident52 Ų5237.2 Ų37.227%0.27220%0.203SC..Hα-helixtrans-63.2-41.9176.5-72175000111.3F309 T326 I331 S332 W333 Q337 F338 F339F309-L335 HydrophobicContact CD2-CB 4.42Å; F309-L335 HydrophobicContact CE1-CB 4.43Å; F309-L335 HydrophobicContact CE2-CB 3.51Å; F309-L335 HydrophobicContact CE2-CD1 3.89Å; F309-L335 HydrophobicContact CE2-CG 4.33Å; F309-L335 HydrophobicContact CZ-CB 3.52Å; T326-L335 HydrophobicContact CG2-CD1 3.61Å; I331-L335 HydrophobicContact CG2-CD1 4.14Å; I331-L335 HydrophobicContact CG2-CG 4.35Å; I331-L335 WeakPolarHBondContact O-CB 3.46Å; I331-L335 WeakPolarHBondContact O-CG 3.17Å; I331-L335 PolarHBondContact O-N 3Å; S332-L335 PolarHBondContact O-N 3.27Å; W333-L335 PolarHBondContact O-N 2.02Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 2.76Å; L335-F338 CarbonylContact O-C 3.21Å; L335-F338 WeakPolarHBondContact O-CB 3.19Å; L335-F338 PolarHBondContact O-N 2.89Å; L335-F338 VanDerWaalsContact O-N 3.15Å; L335-F339 HydrophobicContact CB-CD2 4.25Å; L335-F339 HydrophobicContact CB-CE2 4.28Å; L335-F339 HydrophobicContact CD2-CE2 4.25Å; L335-F339 WeakPolarHBondContact O-CD2 3.39Å; L335-F339 PolarHBondContact O-N 3.22Å
336R82.9Confident83.7Confident44 Ų4432.6 Ų32.617%0.16618%0.18CC..Hα-helixtrans-57.9-47.4176-171.7177.880.3-171.68.1111.5F309 E315 S332 W333 F338 F339 N340F309-R336 HydrophobicContact CE1-CB 3.9Å; F309-R336 HydrophobicContact CE1-CG 4.41Å; F309-R336 HydrophobicContact CZ-CB 4.4Å; E315-R336 WeakPolarHBondContact OE2-CD 3.35Å; E315-R336 IonicContact OE2-CZ 3.73Å; E315-R336 IonicContact OE2-NE 3.71Å; E315-R336 IonicContact OE2-NH1 3.73Å; E315-R336 PolarHBondContact OE2-NH1 2.83Å; S332-R336 WeakPolarHBondContact O-CB 3.37Å; S332-R336 PolarHBondContact O-N 3Å; W333-R336 WeakPolarHBondContact O-CB 3.34Å; W333-R336 PolarHBondContact O-N 3.4Å; R336-F338 VanDerWaalsContact C-N 3.33Å; R336-F338 PolarHBondContact O-N 2.9Å; R336-F339 PolarHBondContact O-N 3.11Å; R336-N340 VanDerWaalsContact O-CB 3.28Å; R336-N340 WeakPolarHBondContact O-CB 3.4Å; R336-N340 VanDerWaalsContact O-CG 3.25Å; R336-N340 PolarHBondContact O-N 2.71Å; R336-N340 PolarHBondContact O-ND2 3.33Å
337Q85.4Confident84Confident7 Ų731.1 Ų31.13%0.03317%0.17CC..Hα-helixtrans-64.2-39.6176.4-64.4-55-16.200111.9F19 F24 M79 W333 T334 L335 S341F19-Q337 HydrophobicContact CE1-CB 3.87Å; F24-Q337 HydrophobicContact CE2-CB 4.14Å; F24-Q337 HydrophobicContact CZ-CB 4.2Å; M79-Q337 WeakPolarHBondContact CE-O 3.36Å; W333-Q337 HydrophobicContact CD2-CG 4Å; W333-Q337 HydrophobicContact CE3-CG 4.17Å; W333-Q337 HydrophobicContact CH2-CG 3.85Å; W333-Q337 HydrophobicContact CZ2-CG 3.67Å; W333-Q337 HydrophobicContact CZ3-CG 4.09Å; W333-Q337 WeakPolarHBondContact O-CG 3.27Å; W333-Q337 PolarHBondContact O-N 2.99Å; T334-Q337 PolarHBondContact O-N 3.31Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 2.76Å; Q337-S341 PolarHBondContact O-N 3.18Å
338F87.7Confident84.5Confident74 Ų7427.7 Ų27.733%0.32514%0.135SC..Hα-helixtrans-61.7-50174.3179-102.6000112.2F19 F23 T334 L335 R336 N340 S341 L342F19-F338 HydrophobicContact CE2-CB 4.26Å; F19-F338 HydrophobicContact CE2-CD2 4.17Å; F19-F338 HydrophobicContact CZ-CB 3.8Å; F19-F338 HydrophobicContact CZ-CD2 4.28Å; F23-F338 HydrophobicContact CE2-CD2 4.42Å; F23-F338 HydrophobicContact CE2-CE2 4.45Å; F23-F338 HydrophobicContact CZ-CD2 4.46Å; T334-F338 WeakPolarHBondContact O-CB 3.41Å; T334-F338 PolarHBondContact O-N 3.48Å; L335-F338 CarbonylContact O-C 3.21Å; L335-F338 WeakPolarHBondContact O-CB 3.19Å; L335-F338 PolarHBondContact O-N 2.89Å; L335-F338 VanDerWaalsContact O-N 3.15Å; R336-F338 VanDerWaalsContact C-N 3.33Å; R336-F338 PolarHBondContact O-N 2.9Å; F338-N340 PolarHBondContact O-N 3.3Å; F338-S341 WeakPolarHBondContact O-CB 3.49Å; F338-S341 PolarHBondContact O-N 3.29Å; F338-S341 VanDerWaalsContact O-N 3.1Å; F338-S341 PolarHBondContact O-OG 3.46Å; F338-L342 HydrophobicContact CD1-CD1 4.27Å; F338-L342 HydrophobicContact CE1-CD1 3.77Å; F338-L342 HydrophobicContact CE1-CG 4.29Å; F338-L342 HydrophobicContact CZ-CD1 4.29Å; F338-L342 HydrophobicContact CZ-CD2 4.4Å; F338-L342 HydrophobicContact CZ-CG 4.45Å; F338-L342 PolarHBondContact O-N 3.07Å; F338-L342 VanDerWaalsContact O-N 3.14Å
339F86.8Confident84.8Confident36 Ų3628.4 Ų28.416%0.15814%0.139CC..Hα-helixtrans-67.8-35179.7-75-70000112.4L305 F306 F309 L335 R336 S341 L342 I343L305-F339 HydrophobicContact CB-CD1 4.26Å; L305-F339 HydrophobicContact CB-CE1 4.02Å; F306-F339 HydrophobicContact CD2-CB 3.81Å; F306-F339 WeakPolarHBondContact CD2-O 3.24Å; F306-F339 HydrophobicContact CE2-CB 4.47Å; F309-F339 HydrophobicContact CB-CD1 4.28Å; F309-F339 HydrophobicContact CB-CD2 3.64Å; F309-F339 HydrophobicContact CB-CE1 4.43Å; F309-F339 HydrophobicContact CB-CE2 3.8Å; F309-F339 HydrophobicContact CB-CG 3.93Å; F309-F339 HydrophobicContact CB-CZ 4.21Å; F309-F339 HydrophobicContact CD1-CB 4.18Å; F309-F339 AromaticContact CD1-CD2 3.58Å; F309-F339 HydrophobicContact CD1-CD2 3.58Å; F309-F339 HydrophobicContact CD1-CE2 4.31Å; F309-F339 HydrophobicContact CD1-CG 4.13Å; F309-F339 AromaticContact CD2-CD2 3.48Å; F309-F339 HydrophobicContact CD2-CD2 3.48Å; F309-F339 VanDerWaalsContact CD2-CD2 3.48Å; F309-F339 AromaticContact CD2-CE2 3.33Å; F309-F339 HydrophobicContact CD2-CE2 3.33Å; F309-F339 HydrophobicContact CD2-CZ 4.3Å; F309-F339 HydrophobicContact CE1-CD2 4.12Å; F309-F339 HydrophobicContact CE2-CD2 4.02Å; F309-F339 AromaticContact CE2-CE2 3.99Å; F309-F339 HydrophobicContact CE2-CE2 3.99Å; F309-F339 HydrophobicContact CG-CB 4.45Å; F309-F339 AromaticContact CG-CD2 3.23Å; F309-F339 HydrophobicContact CG-CD2 3.23Å; F309-F339 AromaticContact CG-CE2 3.53Å; F309-F339 HydrophobicContact CG-CE2 3.53Å; F309-F339 AromaticContact CG-CG 3.93Å; F309-F339 HydrophobicContact CG-CG 3.93Å; F309-F339 HydrophobicContact CG-CZ 4.4Å; F309-F339 HydrophobicContact CZ-CD2 4.32Å; L335-F339 HydrophobicContact CB-CD2 4.25Å; L335-F339 HydrophobicContact CB-CE2 4.28Å; L335-F339 HydrophobicContact CD2-CE2 4.25Å; L335-F339 WeakPolarHBondContact O-CD2 3.39Å; L335-F339 PolarHBondContact O-N 3.22Å; R336-F339 PolarHBondContact O-N 3.11Å; F339-S341 VanDerWaalsContact C-N 3.29Å; F339-S341 PolarHBondContact O-N 3.38Å; F339-L342 HydrophobicContact CD1-CD1 3.77Å; F339-L342 HydrophobicContact CE1-CD1 4.18Å; F339-L342 WeakPolarHBondContact O-CB 3.25Å; F339-L342 PolarHBondContact O-N 2.81Å; F339-I343 PolarHBondContact O-N 3.41Å
340N83.3Confident85Confident39 Ų3925.5 Ų25.521%0.20912%0.123CC..Hα-helixtrans-58.6-42169.3-80.9-20.1000111.2M79 F306 R336 F338 L342 I343 Y344M79-N340 HydrophobicContact CE-CB 3.75Å; M79-N340 HydrophobicContact SD-CB 3.9Å; F306-N340 WeakPolarHBondContact CE2-OD1 3.24Å; F306-N340 WeakPolarHBondContact CZ-OD1 2.94Å; R336-N340 VanDerWaalsContact O-CB 3.28Å; R336-N340 WeakPolarHBondContact O-CB 3.4Å; R336-N340 VanDerWaalsContact O-CG 3.25Å; R336-N340 PolarHBondContact O-N 2.71Å; R336-N340 PolarHBondContact O-ND2 3.33Å; F338-N340 PolarHBondContact O-N 3.3Å; N340-L342 VanDerWaalsContact C-N 3.25Å; N340-L342 PolarHBondContact O-N 3.21Å; N340-I343 WeakPolarHBondContact O-CB 3.49Å; N340-I343 PolarHBondContact O-N 2.78Å; N340-Y344 WeakPolarHBondContact O-CD2 3.5Å
341S85.3Confident85.1Confident4 Ų427.5 Ų27.53%0.02813%0.131CC..Hα-helixtrans-64.8-31.3178.480.80000112.4F23 Q337 F338 F339 I343 Y344 F345F23-S341 WeakPolarHBondContact CE1-OG 3.41Å; F23-S341 VanDerWaalsContact CZ-OG 3.22Å; F23-S341 WeakPolarHBondContact CZ-OG 3.25Å; Q337-S341 PolarHBondContact O-N 3.18Å; F338-S341 WeakPolarHBondContact O-CB 3.49Å; F338-S341 PolarHBondContact O-N 3.29Å; F338-S341 VanDerWaalsContact O-N 3.1Å; F338-S341 PolarHBondContact O-OG 3.46Å; F339-S341 VanDerWaalsContact C-N 3.29Å; F339-S341 PolarHBondContact O-N 3.38Å; S341-I343 VanDerWaalsContact C-N 3.28Å; S341-I343 PolarHBondContact O-N 2.95Å; S341-Y344 PolarHBondContact O-N 2.91Å; S341-Y344 VanDerWaalsContact O-N 3.11Å; S341-F345 PolarHBondContact O-N 3.18Å
342L86Confident85.2Confident28 Ų2828.1 Ų28.115%0.14713%0.134CC..Hα-helixtrans-65.4-29.2176.8-70.3177.5000112.8T302 F338 F339 N340 Y344 F345T302-L342 VanDerWaalsContact CB-O 3.29Å; T302-L342 WeakPolarHBondContact CB-O 3.41Å; T302-L342 HydrophobicContact CG2-CB 4.46Å; T302-L342 WeakPolarHBondContact CG2-O 3.33Å; F338-L342 HydrophobicContact CD1-CD1 4.27Å; F338-L342 HydrophobicContact CE1-CD1 3.77Å; F338-L342 HydrophobicContact CE1-CG 4.29Å; F338-L342 HydrophobicContact CZ-CD1 4.29Å; F338-L342 HydrophobicContact CZ-CD2 4.4Å; F338-L342 HydrophobicContact CZ-CG 4.45Å; F338-L342 PolarHBondContact O-N 3.07Å; F338-L342 VanDerWaalsContact O-N 3.14Å; F339-L342 HydrophobicContact CD1-CD1 3.77Å; F339-L342 HydrophobicContact CE1-CD1 4.18Å; F339-L342 WeakPolarHBondContact O-CB 3.25Å; F339-L342 PolarHBondContact O-N 2.81Å; N340-L342 VanDerWaalsContact C-N 3.25Å; N340-L342 PolarHBondContact O-N 3.21Å; L342-Y344 PolarHBondContact O-N 3.06Å; L342-F345 VanDerWaalsContact O-CB 3.22Å; L342-F345 WeakPolarHBondContact O-CB 3.02Å; L342-F345 PolarHBondContact O-N 3.42Å; L342-F345 VanDerWaalsContact O-N 3.16Å
343I83.5Confident85.1Confident27 Ų2728.9 Ų28.914%0.13814%0.138CC..Hα-helixtrans-59.7-39.2173.6-55.5175.9000110.1L113 F306 F339 N340 S341L113-I343 HydrophobicContact CD2-CG2 3.84Å; F306-I343 HydrophobicContact CB-CG1 4.14Å; F306-I343 HydrophobicContact CD1-CD1 3.55Å; F306-I343 HydrophobicContact CD1-CG1 4.06Å; F306-I343 HydrophobicContact CD2-CD1 3.77Å; F306-I343 HydrophobicContact CD2-CG1 4.03Å; F306-I343 HydrophobicContact CE1-CD1 3.54Å; F306-I343 HydrophobicContact CE2-CD1 3.88Å; F306-I343 HydrophobicContact CG-CD1 3.67Å; F306-I343 HydrophobicContact CG-CG1 3.79Å; F306-I343 HydrophobicContact CZ-CD1 3.76Å; F339-I343 PolarHBondContact O-N 3.41Å; N340-I343 WeakPolarHBondContact O-CB 3.49Å; N340-I343 PolarHBondContact O-N 2.78Å; S341-I343 VanDerWaalsContact C-N 3.28Å; S341-I343 PolarHBondContact O-N 2.95Å
344Y86.7Confident84.8Confident14 Ų1428.9 Ų28.96%0.05514%0.138CC..Hα-helixtrans-80.5-17.2179.7-56.6-62.2000113.4I71 A75 A76 M79 L113 N340 S341 L342 G346 N347 Q348I71-Y344 HydrophobicContact CG2-CD1 3.51Å; I71-Y344 HydrophobicContact CG2-CE1 3.72Å; A75-Y344 HydrophobicContact CB-CE1 3.77Å; A76-Y344 HydrophobicContact CB-CD1 4.05Å; A76-Y344 HydrophobicContact CB-CD2 4.35Å; A76-Y344 HydrophobicContact CB-CE1 4.44Å; A76-Y344 HydrophobicContact CB-CG 3.99Å; M79-Y344 HydrophobicContact CB-CE2 4.33Å; M79-Y344 HydrophobicContact SD-CD2 3.88Å; M79-Y344 HydrophobicContact SD-CE2 3.52Å; M79-Y344 VanDerWaalsContact SD-CE2 3.52Å; L113-Y344 HydrophobicContact CD2-CE1 4.04Å; N340-Y344 WeakPolarHBondContact O-CD2 3.5Å; S341-Y344 PolarHBondContact O-N 2.91Å; S341-Y344 VanDerWaalsContact O-N 3.11Å; L342-Y344 PolarHBondContact O-N 3.06Å; Y344-G346 PolarHBondContact O-N 2.81Å; Y344-N347 PolarHBondContact O-N 3.34Å; Y344-Q348 WeakPolarHBondContact O-CG 3.46Å; Y344-Q348 PolarHBondContact O-N 3.43Å
345F86.4Confident84.4Confident67 Ų6729.9 Ų29.929%0.29414%0.143SC..Hα-helixtrans-56-38.5-177.6-173.1-95.7000112.8Y27 I298 T302 S341 L342 Q348 N349Y27-F345 VanDerWaalsContact OH-CD2 3.32Å; Y27-F345 WeakPolarHBondContact OH-CD2 3.45Å; Y27-F345 WeakPolarHBondContact OH-CE2 3.27Å; I298-F345 HydrophobicContact CG2-CD1 4.06Å; I298-F345 HydrophobicContact CG2-CE1 4.41Å; T302-F345 HydrophobicContact CG2-CB 4.19Å; T302-F345 HydrophobicContact CG2-CD1 4.09Å; S341-F345 PolarHBondContact O-N 3.18Å; L342-F345 VanDerWaalsContact O-CB 3.22Å; L342-F345 WeakPolarHBondContact O-CB 3.02Å; L342-F345 PolarHBondContact O-N 3.42Å; L342-F345 VanDerWaalsContact O-N 3.16Å; F345-Q348 PolarHBondContact O-N 2.7Å; F345-N349 WeakPolarHBondContact CD2-ND2 3.22Å; F345-N349 WeakPolarHBondContact CE2-ND2 3.32Å; F345-N349 WeakPolarHBondContact CZ-ND2 3.26Å; F345-N349 WeakPolarHBondContact O-CB 3.32Å; F345-N349 PolarHBondContact O-N 3.19Å; F345-N349 PolarHBondContact O-ND2 2.85Å
346G84Confident83.8Confident4 Ų429.4 Ų29.44%0.04115%0.147CC..Hα-helixtrans-59.9-53.3173.800000111.9Y344 Q348 N349 N350Y344-G346 PolarHBondContact O-N 2.81Å; G346-Q348 VanDerWaalsContact C-N 3.29Å; G346-Q348 PolarHBondContact O-N 3.27Å; G346-N349 PolarHBondContact O-N 3.2Å; G346-N349 VanDerWaalsContact O-N 3.12Å; G346-N350 WeakPolarHBondContact O-CB 3.3Å; G346-N350 PolarHBondContact O-N 3.43Å; G346-N350 PolarHBondContact O-OD1 3.05Å
347N86.6Confident82.9Confident13 Ų1329.7 Ų29.77%0.0715%0.149CC..Hα-helixtrans-61.9-37.9-179.4-51-54.7000111.7D68 I71 L72 Y344 N349D68-N347 HydrophobicContact CB-CB 4.43Å; D68-N347 PolarHBondContact OD1-OD1 3.37Å; D68-N347 VanDerWaalsContact OD1-OD1 3.13Å; I71-N347 HydrophobicContact CG2-CB 4.33Å; I71-N347 WeakPolarHBondContact CG2-ND2 3.22Å; L72-N347 HydrophobicContact CD2-CB 4.14Å; L72-N347 HydrophobicContact CG-CB 4.26Å; Y344-N347 PolarHBondContact O-N 3.34Å; N347-N349 VanDerWaalsContact C-N 3.3Å; N347-N349 PolarHBondContact O-N 3.48Å
348Q88.8Confident81.9Confident2 Ų229.7 Ų29.71%0.00915%0.151CC..Hα-helixtrans-65.5-28.6177.4-73.1173.4-9.700113.3S31 N32 L72 Y344 F345 G346 W351S31-Q348 WeakPolarHBondContact OG-CB 3.41Å; S31-Q348 WeakPolarHBondContact OG-CG 3.34Å; S31-Q348 PolarHBondContact OG-OE1 3.09Å; N32-Q348 PolarHBondContact OD1-NE2 3.37Å; L72-Q348 HydrophobicContact CD2-CB 4.33Å; L72-Q348 HydrophobicContact CD2-CG 3.45Å; L72-Q348 VanDerWaalsContact CD2-CG 3.45Å; Y344-Q348 WeakPolarHBondContact O-CG 3.46Å; Y344-Q348 PolarHBondContact O-N 3.43Å; F345-Q348 PolarHBondContact O-N 2.7Å; G346-Q348 VanDerWaalsContact C-N 3.29Å; G346-Q348 PolarHBondContact O-N 3.27Å; Q348-W351 PolarHBondContact O-NE1 3.21Å
349N87.2Confident80.5Confident35 Ų3528.2 Ų28.219%0.18715%0.153CC..Hα-helixtrans-112.4-10.8-172.9-69.9-74.1000114.6F345 G346 N347 W351 I352F345-N349 WeakPolarHBondContact CD2-ND2 3.22Å; F345-N349 WeakPolarHBondContact CE2-ND2 3.32Å; F345-N349 WeakPolarHBondContact CZ-ND2 3.26Å; F345-N349 WeakPolarHBondContact O-CB 3.32Å; F345-N349 PolarHBondContact O-N 3.19Å; F345-N349 PolarHBondContact O-ND2 2.85Å; G346-N349 PolarHBondContact O-N 3.2Å; G346-N349 VanDerWaalsContact O-N 3.12Å; N347-N349 VanDerWaalsContact C-N 3.3Å; N347-N349 PolarHBondContact O-N 3.48Å; N349-W351 PolarHBondContact O-N 3.12Å; N349-W351 VanDerWaalsContact O-N 3.1Å; N349-I352 HydrophobicContact CB-CD1 4.35Å; N349-I352 VanDerWaalsContact O-CB 3.31Å; N349-I352 WeakPolarHBondContact O-CB 3.3Å; N349-I352 WeakPolarHBondContact O-CG1 3.2Å; N349-I352 PolarHBondContact O-N 2.86Å
350N84.4Confident79.4Confident3 Ų332.5 Ų32.52%0.01617%0.168CC..Hα-helixtrans-54.5-32.5-178.7-85-14.1000113.3D68 M295 G346 I352 L353 Y354D68-N350 PolarHBondContact OD2-ND2 3.5Å; M295-N350 HydrophobicContact CE-CB 4.27Å; G346-N350 WeakPolarHBondContact O-CB 3.3Å; G346-N350 PolarHBondContact O-N 3.43Å; G346-N350 PolarHBondContact O-OD1 3.05Å; N350-I352 PolarHBondContact O-N 2.94Å; N350-L353 WeakPolarHBondContact O-CB 3.44Å; N350-L353 PolarHBondContact O-N 3.07Å; N350-Y354 HydrophobicContact CB-CE2 3.96Å; N350-Y354 WeakPolarHBondContact O-CD2 3.43Å; N350-Y354 PolarHBondContact O-N 2.87Å
351W83.9Confident78.4Confident42 Ų4230.9 Ų30.916%0.15916%0.159CC..Hα-helixtrans-58.1-35.4176.468.1-92.9000113.2I34 F38 Q348 N349 L353 Y354 L355I34-W351 HydrophobicContact CG2-CH2 4.42Å; I34-W351 HydrophobicContact CG2-CZ2 3.59Å; F38-W351 HydrophobicContact CB-CB 3.69Å; F38-W351 HydrophobicContact CB-CD2 3.45Å; F38-W351 VanDerWaalsContact CB-CD2 3.45Å; F38-W351 HydrophobicContact CB-CE3 3.63Å; F38-W351 HydrophobicContact CB-CG 3.48Å; F38-W351 VanDerWaalsContact CB-CG 3.48Å; F38-W351 HydrophobicContact CB-CZ3 4.44Å; F38-W351 HydrophobicContact CD1-CE3 4.01Å; F38-W351 HydrophobicContact CD1-CZ3 4.16Å; F38-W351 HydrophobicContact CD2-CD2 4.08Å; F38-W351 HydrophobicContact CD2-CE3 4.04Å; F38-W351 HydrophobicContact CD2-CH2 4.07Å; F38-W351 HydrophobicContact CD2-CZ2 4.12Å; F38-W351 HydrophobicContact CD2-CZ3 4.04Å; F38-W351 HydrophobicContact CE1-CZ3 4.44Å; F38-W351 HydrophobicContact CE2-CH2 4.22Å; F38-W351 HydrophobicContact CE2-CZ3 4.33Å; F38-W351 AromaticContact CG-CD2 3.84Å; F38-W351 HydrophobicContact CG-CD2 3.84Å; F38-W351 AromaticContact CG-CE3 3.63Å; F38-W351 HydrophobicContact CG-CE3 3.63Å; F38-W351 HydrophobicContact CG-CG 4.38Å; F38-W351 HydrophobicContact CG-CH2 4.45Å; F38-W351 AromaticContact CG-CZ3 3.96Å; F38-W351 HydrophobicContact CG-CZ3 3.96Å; Q348-W351 PolarHBondContact O-NE1 3.21Å; N349-W351 PolarHBondContact O-N 3.12Å; N349-W351 VanDerWaalsContact O-N 3.1Å; W351-L353 PolarHBondContact O-N 3.28Å; W351-Y354 PolarHBondContact O-N 3Å; W351-L355 HydrophobicContact CE3-CD1 3.59Å; W351-L355 HydrophobicContact CE3-CG 4.39Å; W351-L355 HydrophobicContact CZ3-CD1 3.77Å; W351-L355 WeakPolarHBondContact O-CG 3.32Å; W351-L355 PolarHBondContact O-N 3.47Å
352I85.7Confident77.6Confident76 Ų7637.3 Ų37.339%0.3918%0.183SC..Hα-helixtrans-58.7-42.5176.8-59.4175.7000109.1N349 N350 L355 A356N349-I352 HydrophobicContact CB-CD1 4.35Å; N349-I352 VanDerWaalsContact O-CB 3.31Å; N349-I352 WeakPolarHBondContact O-CB 3.3Å; N349-I352 WeakPolarHBondContact O-CG1 3.2Å; N349-I352 PolarHBondContact O-N 2.86Å; N350-I352 PolarHBondContact O-N 2.94Å; I352-L355 PolarHBondContact O-N 3.35Å; I352-A356 WeakPolarHBondContact O-CB 3.19Å; I352-A356 PolarHBondContact O-N 2.9Å
353L80.3Confident76.7Confident17 Ų1740.7 Ų40.79%0.08920%0.2CC..Hα-helixtrans-70.1-43.6-179.1-58.5-177.7000111.3L291 T294 M295 I298 N350 W351 L355 A356 F357L291-L353 VanDerWaalsContact CD1-C 3.45Å; L291-L353 HydrophobicContact CD1-CB 3.61Å; L291-L353 VanDerWaalsContact CD1-O 3.26Å; L291-L353 WeakPolarHBondContact CD1-O 3.49Å; T294-L353 HydrophobicContact CG2-CD1 3.93Å; T294-L353 HydrophobicContact CG2-CD2 3.46Å; T294-L353 VanDerWaalsContact CG2-CD2 3.46Å; T294-L353 HydrophobicContact CG2-CG 4.37Å; M295-L353 HydrophobicContact CB-CD1 4.14Å; M295-L353 HydrophobicContact CG-CB 4.21Å; M295-L353 HydrophobicContact CG-CD1 3.42Å; M295-L353 VanDerWaalsContact CG-CD1 3.42Å; M295-L353 HydrophobicContact CG-CG 4.47Å; I298-L353 HydrophobicContact CD1-CD1 3.73Å; I298-L353 HydrophobicContact CD1-CG 4.48Å; N350-L353 WeakPolarHBondContact O-CB 3.44Å; N350-L353 PolarHBondContact O-N 3.07Å; W351-L353 PolarHBondContact O-N 3.28Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 PolarHBondContact O-N 2.87Å; L353-A356 PolarHBondContact O-N 3Å; L353-F357 HydrophobicContact CD2-CE2 4.33Å; L353-F357 WeakPolarHBondContact O-CD2 2.99Å; L353-F357 PolarHBondContact O-N 3.14Å
354Y75.5Confident76Confident7 Ų741.4 Ų41.43%0.02720%0.203CC..Hα-helixtrans-55.6-43.3174.3-58.7-38000111.8C42 F61 L64 T65 D68 M295 N350 W351 G358C42-Y354 HydrophobicContact CB-CD2 4.01Å; F61-Y354 HydrophobicContact CD1-CD1 4.4Å; F61-Y354 AromaticContact CD1-CE1 3.86Å; F61-Y354 HydrophobicContact CD1-CE1 3.86Å; F61-Y354 HydrophobicContact CE1-CD1 4.48Å; F61-Y354 HydrophobicContact CE1-CE1 4.06Å; L64-Y354 VanDerWaalsContact CD2-OH 3.25Å; L64-Y354 WeakPolarHBondContact CD2-OH 3.31Å; T65-Y354 HydrophobicContact CG2-CE2 4.27Å; D68-Y354 PolarHBondContact OD2-OH 3.26Å; M295-Y354 HydrophobicContact CE-CE1 3.47Å; M295-Y354 VanDerWaalsContact CE-CE1 3.47Å; M295-Y354 VanDerWaalsContact CE-OH 3.31Å; M295-Y354 WeakPolarHBondContact CE-OH 3.41Å; M295-Y354 HydrophobicContact SD-CD1 4.42Å; M295-Y354 HydrophobicContact SD-CE1 3.77Å; N350-Y354 HydrophobicContact CB-CE2 3.96Å; N350-Y354 WeakPolarHBondContact O-CD2 3.43Å; N350-Y354 PolarHBondContact O-N 2.87Å; W351-Y354 PolarHBondContact O-N 3Å; Y354-G358 PolarHBondContact O-N 3.08Å
355L76.5Confident75.1Confident37 Ų3742 Ų4219%0.19421%0.206CC..Hα-helixtrans-71.1-42.5176.8-64.5-176.4000113F38 W351 I352 L353 R362 I365F38-L355 HydrophobicContact CD1-CD1 4.35Å; W351-L355 HydrophobicContact CE3-CD1 3.59Å; W351-L355 HydrophobicContact CE3-CG 4.39Å; W351-L355 HydrophobicContact CZ3-CD1 3.77Å; W351-L355 WeakPolarHBondContact O-CG 3.32Å; W351-L355 PolarHBondContact O-N 3.47Å; I352-L355 PolarHBondContact O-N 3.35Å; L353-L355 VanDerWaalsContact C-N 3.27Å; L353-L355 PolarHBondContact O-N 2.87Å; L355-R362 WeakPolarHBondContact O-CG 3.45Å; L355-R362 PolarHBondContact O-NE 3.43Å; L355-I365 HydrophobicContact CD2-CD1 3.1Å
356A73Confident74.4Confident42 Ų4242.1 Ų42.135%0.34721%0.213SC..Hα-helixtrans-64.4-43.8-176.100000112I352 L353 R362I352-A356 WeakPolarHBondContact O-CB 3.19Å; I352-A356 PolarHBondContact O-N 2.9Å; L353-A356 PolarHBondContact O-N 3Å; A356-R362 PolarHBondContact O-NH2 2.88Å
357F64Low73.6Confident49 Ų4945.7 Ų45.722%0.21523%0.23CC..Hα-helixtrans-89.8-17.5-177.3-69.1-77.5000113.8L290 L291 L353 A359L290-F357 HydrophobicContact CB-CE1 4.05Å; L290-F357 HydrophobicContact CD2-CE1 3.51Å; L290-F357 HydrophobicContact CD2-CZ 4.08Å; L290-F357 HydrophobicContact CG-CE1 3.55Å; L290-F357 HydrophobicContact CG-CZ 3.78Å; L291-F357 HydrophobicContact CB-CB 3.84Å; L291-F357 HydrophobicContact CB-CD1 4.44Å; L291-F357 HydrophobicContact CB-CD2 3.8Å; L291-F357 HydrophobicContact CB-CG 3.74Å; L291-F357 HydrophobicContact CD1-CB 4.01Å; L291-F357 HydrophobicContact CD1-CD2 3.48Å; L291-F357 VanDerWaalsContact CD1-CD2 3.48Å; L291-F357 HydrophobicContact CD1-CE2 4.35Å; L291-F357 HydrophobicContact CD1-CG 4.05Å; L291-F357 HydrophobicContact CD2-CB 4.36Å; L291-F357 HydrophobicContact CG-CB 4.29Å; L291-F357 HydrophobicContact CG-CD2 4.25Å; L291-F357 HydrophobicContact CG-CG 4.45Å; L353-F357 HydrophobicContact CD2-CE2 4.33Å; L353-F357 WeakPolarHBondContact O-CD2 2.99Å; L353-F357 PolarHBondContact O-N 3.14Å; F357-A359 PolarHBondContact O-N 3.43Å
358G63.8Low72.8Confident8 Ų848.9 Ų48.98%0.08225%0.246CC..  trans-86.276.5179.300000114.5Y354 R360 F361 R362Y354-G358 PolarHBondContact O-N 3.08Å; G358-R360 PolarHBondContact O-N 2.87Å; G358-R360 VanDerWaalsContact O-N 3.16Å; G358-F361 CarbonylContact O-C 3.6Å; G358-F361 WeakPolarHBondContact O-CA 3.38Å; G358-F361 VanDerWaalsContact O-CB 3.27Å; G358-F361 WeakPolarHBondContact O-CB 3.01Å; G358-F361 PolarHBondContact O-N 2.57Å; G358-R362 PolarHBondContact O-N 2.86Å
359A59.6Low71.9Confident43 Ų4354.6 Ų54.636%0.35528%0.276SS..Hα-helixtrans-55.3-36.1173.100000112.4F357 I363F357-A359 PolarHBondContact O-N 3.43Å; A359-I363 WeakPolarHBondContact O-CG1 3.43Å; A359-I363 PolarHBondContact O-N 3.31Å
360R62.3Low71Confident126 Ų12659.6 Ų59.648%0.47530%0.3SS..Hα-helixtrans-69.9-37.9170.9-70.6-174.2179.6-179.9-2.9112.4R51 V52 G358 R362 I363 H364R51-R360 PolarHBondContact O-NH1 3.3Å; R51-R360 VanDerWaalsContact O-NH1 3.1Å; V52-R360 HydrophobicContact CG1-CB 4.45Å; G358-R360 PolarHBondContact O-N 2.87Å; G358-R360 VanDerWaalsContact O-N 3.16Å; R360-R362 VanDerWaalsContact C-N 3.33Å; R360-R362 PolarHBondContact O-N 3.3Å; R360-I363 PolarHBondContact O-N 3.38Å; R360-H364 WeakPolarHBondContact O-CB 3.3Å; R360-H364 PolarHBondContact O-CD2 3.41Å; R360-H364 PolarHBondContact O-N 2.61Å
361F63.1Low69.5Low4 Ų464.6 Ų64.62%0.01833%0.334CS..Hα-helixtrans-57.9-47.1174.3-80-95000111.2V45 L46 V52 F53 G358 I363 H364 I365V45-F361 HydrophobicContact CB-CD1 3.99Å; V45-F361 HydrophobicContact CB-CE1 4.11Å; V45-F361 HydrophobicContact CG1-CD1 3.36Å; V45-F361 HydrophobicContact CG1-CE1 3.66Å; V45-F361 HydrophobicContact CG1-CG 4.21Å; L46-F361 HydrophobicContact CD2-CE1 4.14Å; L46-F361 HydrophobicContact CD2-CZ 3.54Å; L46-F361 HydrophobicContact CG-CE1 3.84Å; L46-F361 HydrophobicContact CG-CZ 3.75Å; V52-F361 HydrophobicContact CG1-CD2 3.8Å; V52-F361 HydrophobicContact CG1-CE2 3.38Å; V52-F361 HydrophobicContact CG1-CZ 4.06Å; F53-F361 HydrophobicContact CD2-CE2 4.35Å; F53-F361 AromaticContact CE2-CE2 3.42Å; F53-F361 HydrophobicContact CE2-CE2 3.42Å; F53-F361 VanDerWaalsContact CE2-CE2 3.42Å; F53-F361 AromaticContact CE2-CZ 3.78Å; F53-F361 HydrophobicContact CE2-CZ 3.78Å; F53-F361 AromaticContact CZ-CE2 3.85Å; F53-F361 HydrophobicContact CZ-CE2 3.85Å; G358-F361 CarbonylContact O-C 3.6Å; G358-F361 WeakPolarHBondContact O-CA 3.38Å; G358-F361 VanDerWaalsContact O-CB 3.27Å; G358-F361 WeakPolarHBondContact O-CB 3.01Å; G358-F361 PolarHBondContact O-N 2.57Å; F361-I363 VanDerWaalsContact C-N 3.35Å; F361-I363 PolarHBondContact O-N 3.23Å; F361-H364 PolarHBondContact O-N 3.06Å; F361-H364 VanDerWaalsContact O-N 3.16Å; F361-I365 WeakPolarHBondContact O-CB 3.49Å; F361-I365 VanDerWaalsContact O-CG1 3.25Å; F361-I365 WeakPolarHBondContact O-CG1 3.42Å; F361-I365 PolarHBondContact O-N 2.76Å
362R67.9Low68Low140 Ų14071.2 Ų71.253%0.52836%0.359SS..Hα-helixtrans-58.1-47.1177.6-60.7-170.9-136174.86.4111.6L355 A356 G358 R360 H364 I365 V366L355-R362 WeakPolarHBondContact O-CG 3.45Å; L355-R362 PolarHBondContact O-NE 3.43Å; A356-R362 PolarHBondContact O-NH2 2.88Å; G358-R362 PolarHBondContact O-N 2.86Å; R360-R362 VanDerWaalsContact C-N 3.33Å; R360-R362 PolarHBondContact O-N 3.3Å; R362-H364 VanDerWaalsContact C-N 3.35Å; R362-H364 PolarHBondContact O-N 3.42Å; R362-I365 PolarHBondContact O-N 2.96Å; R362-V366 WeakPolarHBondContact O-CB 3.05Å; R362-V366 VanDerWaalsContact O-CG2 3.23Å; R362-V366 WeakPolarHBondContact O-CG2 3.47Å; R362-V366 PolarHBondContact O-N 3.49Å
363I68.3Low66Low99 Ų9971.1 Ų71.151%0.50838%0.377SS..Hα-helixtrans-61.7-43.2176.9-64.8166.1000111.1A359 R360 F361 V366 N367A359-I363 WeakPolarHBondContact O-CG1 3.43Å; A359-I363 PolarHBondContact O-N 3.31Å; R360-I363 PolarHBondContact O-N 3.38Å; F361-I363 VanDerWaalsContact C-N 3.35Å; F361-I363 PolarHBondContact O-N 3.23Å; I363-V366 PolarHBondContact O-N 3.43Å; I363-N367 WeakPolarHBondContact O-CB 3.48Å; I363-N367 PolarHBondContact O-N 2.68Å; I363-N367 PolarHBondContact O-ND2 3.32Å
364H68.5Low64.2Low42 Ų4273.8 Ų73.819%0.19441%0.408CS..Hα-helixtrans-68.8-39-179.3-74.5-58.1000112.9V45 H49 R360 F361 R362 N367 M368V45-H364 HydrophobicContact CG1-CB 4.08Å; H49-H364 AromaticContact CD2-CD2 3.95Å; H49-H364 AromaticContact CD2-CE1 3.95Å; H49-H364 AromaticContact CD2-CG 3.45Å; H49-H364 VanDerWaalsContact CD2-CG 3.45Å; H49-H364 AromaticContact CD2-ND1 3.43Å; H49-H364 PolarHBondContact CD2-ND1 3.34Å; H49-H364 AromaticContact CE1-CE1 3.59Å; H49-H364 AromaticContact CE1-ND1 3.3Å; H49-H364 PolarHBondContact CE1-ND1 3.26Å; H49-H364 VanDerWaalsContact CE1-ND1 3.3Å; H49-H364 AromaticContact CG-CD2 3.96Å; H49-H364 AromaticContact CG-CE1 3.68Å; H49-H364 AromaticContact CG-CG 3.85Å; H49-H364 AromaticContact CG-ND1 3.66Å; H49-H364 AromaticContact CG-NE2 3.89Å; H49-H364 AromaticContact ND1-CE1 3.46Å; H49-H364 PolarHBondContact ND1-CE1 3.21Å; H49-H364 AromaticContact ND1-ND1 3.58Å; H49-H364 AromaticContact NE2-CE1 3.88Å; H49-H364 AromaticContact NE2-CG 3.62Å; H49-H364 AromaticContact NE2-ND1 3.18Å; H49-H364 PolarHBondContact NE2-ND1 3.1Å; H49-H364 VanDerWaalsContact NE2-ND1 3.18Å; R360-H364 WeakPolarHBondContact O-CB 3.3Å; R360-H364 PolarHBondContact O-CD2 3.41Å; R360-H364 PolarHBondContact O-N 2.61Å; F361-H364 PolarHBondContact O-N 3.06Å; F361-H364 VanDerWaalsContact O-N 3.16Å; R362-H364 VanDerWaalsContact C-N 3.35Å; R362-H364 PolarHBondContact O-N 3.42Å; H364-N367 PolarHBondContact O-N 2.92Å; H364-M368 WeakPolarHBondContact O-CB 3.47Å; H364-M368 PolarHBondContact O-N 2.89Å
365I67.5Low62.6Low26 Ų2685 Ų8513%0.13345%0.451CS..Hα-helixtrans-64.9-46.8174.6-70.2166.8000109.9V45 L355 F361 R362 N367 M368 L369V45-I365 HydrophobicContact CG2-CD1 4.42Å; V45-I365 HydrophobicContact CG2-CG1 3.68Å; L355-I365 HydrophobicContact CD2-CD1 3.1Å; F361-I365 WeakPolarHBondContact O-CB 3.49Å; F361-I365 VanDerWaalsContact O-CG1 3.25Å; F361-I365 WeakPolarHBondContact O-CG1 3.42Å; F361-I365 PolarHBondContact O-N 2.76Å; R362-I365 PolarHBondContact O-N 2.96Å; I365-N367 VanDerWaalsContact C-N 3.31Å; I365-N367 PolarHBondContact O-N 3.32Å; I365-M368 PolarHBondContact O-N 3.01Å; I365-M368 VanDerWaalsContact O-N 3.15Å; I365-L369 HydrophobicContact CG2-CD1 3.65Å; I365-L369 HydrophobicContact CG2-CG 4.2Å; I365-L369 WeakPolarHBondContact O-CB 3.37Å; I365-L369 WeakPolarHBondContact O-CG 3.11Å; I365-L369 PolarHBondContact O-N 3.1Å
366V71.9Confident60.9Low70 Ų7090.5 Ų90.542%0.42448%0.475SS..Hα-helixtrans-58.5-44.5174.7170.80000110.8R362 I363 M368 L369 M370R362-V366 WeakPolarHBondContact O-CB 3.05Å; R362-V366 VanDerWaalsContact O-CG2 3.23Å; R362-V366 WeakPolarHBondContact O-CG2 3.47Å; R362-V366 PolarHBondContact O-N 3.49Å; I363-V366 PolarHBondContact O-N 3.43Å; V366-M368 VanDerWaalsContact C-N 3.32Å; V366-M368 PolarHBondContact O-N 2.92Å; V366-L369 PolarHBondContact O-N 3.09Å; V366-M370 HydrophobicContact CG1-CG 4.21Å; V366-M370 HydrophobicContact CG1-SD 3.97Å; V366-M370 VanDerWaalsContact O-CB 3.22Å; V366-M370 WeakPolarHBondContact O-CB 3.32Å; V366-M370 WeakPolarHBondContact O-CG 3.5Å; V366-M370 PolarHBondContact O-N 3.44Å
367N67.8Low59.2Low78 Ų78100.6 Ų100.642%0.41750%0.504SS..Hα-helixtrans-65.2-34.3177.8-72.6-19.3000113.1I363 H364 I365 R372I363-N367 WeakPolarHBondContact O-CB 3.48Å; I363-N367 PolarHBondContact O-N 2.68Å; I363-N367 PolarHBondContact O-ND2 3.32Å; H364-N367 PolarHBondContact O-N 2.92Å; I365-N367 VanDerWaalsContact C-N 3.31Å; I365-N367 PolarHBondContact O-N 3.32Å; N367-R372 PolarHBondContact O-N 3.37Å
368M68Low58.1Low80 Ų80108 Ų10839%0.39454%0.537SS..Hα-helixtrans-72.4-46.4177.3-176172.3172.100111.4L44 H364 I365 V366L44-M368 HydrophobicContact CD1-CE 4.47Å; H364-M368 WeakPolarHBondContact O-CB 3.47Å; H364-M368 PolarHBondContact O-N 2.89Å; I365-M368 PolarHBondContact O-N 3.01Å; I365-M368 VanDerWaalsContact O-N 3.15Å; V366-M368 VanDerWaalsContact C-N 3.32Å; V366-M368 PolarHBondContact O-N 2.92Å
369L70.8Confident56.7Low123 Ų123116.6 Ų116.664%0.64457%0.574SS**Hα-helixtrans-70.3-38.9179.7-69.8174.6000112.5I365 V366 C371I365-L369 HydrophobicContact CG2-CD1 3.65Å; I365-L369 HydrophobicContact CG2-CG 4.2Å; I365-L369 WeakPolarHBondContact O-CB 3.37Å; I365-L369 WeakPolarHBondContact O-CG 3.11Å; I365-L369 PolarHBondContact O-N 3.1Å; V366-L369 PolarHBondContact O-N 3.09Å; L369-C371 PolarHBondContact O-N 3.19Å
370M67.2Low55.4Low139 Ų139120.4 Ų120.469%0.68560%0.597SS**THydrogen-bonded Turntrans-839.9-179.6-65.9-161.5164.800113.8V366 R372V366-M370 HydrophobicContact CG1-CG 4.21Å; V366-M370 HydrophobicContact CG1-SD 3.97Å; V366-M370 VanDerWaalsContact O-CB 3.22Å; V366-M370 WeakPolarHBondContact O-CB 3.32Å; V366-M370 WeakPolarHBondContact O-CG 3.5Å; V366-M370 PolarHBondContact O-N 3.44Å; M370-R372 PolarHBondContact O-N 3.04Å
371C54.6Low54.4Low109 Ų109119.6 Ų119.674%0.73661%0.608SS**THydrogen-bonded Turntrans42.535.6-178.8-72.90000113.5L369 G373L369-C371 PolarHBondContact O-N 3.19Å; C371-G373 PolarHBondContact O-N 3.08Å
372R51.9Low53Low180 Ų180127.2 Ų127.268%0.67965%0.649SS**  trans-79.628.3-173.6-145.5176.5178.5175.91.3112.5N367 M370N367-R372 PolarHBondContact O-N 3.37Å; M370-R372 PolarHBondContact O-N 3.04Å
373G42.7Very low51.6Low75 Ų75129.6 Ų129.677%0.77366%0.663SS**  trans-84.8107.7172.100000110.1C371C371-G373 PolarHBondContact O-N 3.08Å
374G43.9Very low50.2Low72 Ų72130.7 Ų130.774%0.74268%0.676SS**SBendtrans136.2-14.6145.600000119.6
375R40.8Very low48.4Very low243 Ų243138.1 Ų138.192%0.91771%0.708SS**SBendtrans-138.67.1-168.8-72.6-169.9179.81750.2119.9
376Q40.5Very low46.9Very low152 Ų152144 Ų14471%0.7174%0.739SS**  trans-136.886.8179.9-72.8-176.7-5.500113.1
377R38.7Very low45Very low254 Ų254146.8 Ų146.896%0.95876%0.756SS**  trans-170.750.9146.8-102.3172.3-165.2-169.64.8110.7
378K39.4Very low43.5Very low205 Ų205149.2 Ų149.289%0.89177%0.768SS**SBendtrans-117.383.4156.3-82-172.7176.7-177.10106.4
379H34.7Very low41.8Very low188 Ų188149.3 Ų149.387%0.8778%0.777SS**  trans146.490.8165.5-94.8-47.2000109.3
380C32.5Very low40.1Very low124 Ų124151.4 Ų151.484%0.83878%0.783SS**  trans-129.1120.2143.9-140.60000104.1
381P40.9Very low38.4Very low109 Ų109150 Ų15071%0.70878%0.778SS**  trans-68.1156.6177.231.2-31.9000109.6K383P381-K383 PolarHBondContact O-N 2.72Å
382D35.7Very low37.2Very low163 Ų163149.7 Ų149.787%0.87277%0.774SS**  trans-43.7116.1-162.7-62.4-66.8000115.6
383K38Very low36.5Very low191 Ų191147.7 Ų147.783%0.8378%0.776SS**  trans-100.4136.7146-84.4-175.8177.1179.20107.4P381 K385P381-K383 PolarHBondContact O-N 2.72Å; K383-K385 PolarHBondContact O-N 3.39Å
384P37.7Very low36Very low121 Ų121149.6 Ų149.679%0.78677%0.768SS**  trans-55133.4-174.522.6-32.7000110.1L386P384-L386 PolarHBondContact O-N 2.9Å
385K31.7Very low35.6Very low198 Ų198149.9 Ų149.986%0.86176%0.764SS**  trans-46.497.7175.7-79.5172174170.70110.2K383 T387K383-K385 PolarHBondContact O-N 3.39Å; K385-T387 PolarHBondContact O-N 2.79Å
386L35Very low35.2Very low149 Ų149142.4 Ų142.478%0.7875%0.749SS**  trans-74.2102150.1-120.292.4000105.4P384 I388P384-L386 PolarHBondContact O-N 2.9Å; L386-I388 HydrophobicContact CB-CG1 4.38Å; L386-I388 HydrophobicContact CD2-CD1 4.09Å; L386-I388 HydrophobicContact CD2-CG1 4.1Å; L386-I388 PolarHBondContact O-N 3.02Å
387T32.9Very low35Very low129 Ų129140.2 Ų140.279%0.79175%0.746SS**  trans-60.175.9163.832.10000109.2K385 S389K385-T387 PolarHBondContact O-N 2.79Å; T387-S389 PolarHBondContact O-N 3.17Å
388I35.9Very low34.7Very low129 Ų129135.9 Ų135.966%0.66274%0.736SS**  trans-86.580.2158.3-55.6175000104.6L386 E390L386-I388 HydrophobicContact CB-CG1 4.38Å; L386-I388 HydrophobicContact CD2-CD1 4.09Å; L386-I388 HydrophobicContact CD2-CG1 4.1Å; L386-I388 PolarHBondContact O-N 3.02Å; I388-E390 PolarHBondContact O-N 3.15Å; I388-E390 VanDerWaalsContact O-N 3.12Å
389S33.4Very low34.3Very low83 Ų83133.7 Ų133.758%0.5873%0.733SS**  trans-58.2112148.951.90000105.3T387 I391T387-S389 PolarHBondContact O-N 3.17Å; S389-I391 PolarHBondContact O-N 2.82Å
390E33.4Very low34.3Very low167 Ų167131.5 Ų131.578%0.7873%0.727SS**  trans-63.379.5158.5-72.5-173.6154.100106.1I388 P392I388-E390 PolarHBondContact O-N 3.15Å; I388-E390 VanDerWaalsContact O-N 3.12Å; E390-P392 WeakPolarHBondContact O-CD 3.32Å
391I33Very low34Very low110 Ų110133.4 Ų133.456%0.56473%0.73SS**  trans-59.8122.1165.8-62.4172.4000104.9S389 L393S389-I391 PolarHBondContact O-N 2.82Å; I391-L393 PolarHBondContact O-N 2.89Å
392P29.7Very low33.7Very low102 Ų102134.6 Ų134.666%0.66273%0.729SS**  trans-56.7119.8172.123.4-30.4000107.4E390 D394E390-P392 WeakPolarHBondContact O-CD 3.32Å; P392-D394 PolarHBondContact O-N 2.9Å
393L36.2Very low33.5Very low137 Ų137133.9 Ų133.972%0.71773%0.725SS**THydrogen-bonded Turntrans-72.965.1-179.4-134.994.2000109.9R138 I391R138-L393 PolarHBondContact NH2-O 2.84Å; R138-L393 VanDerWaalsContact NH2-O 3.1Å; I391-L393 PolarHBondContact O-N 2.89Å
394D32.4Very low33.1Very low115 Ų115135.4 Ų135.462%0.61573%0.727SS**THydrogen-bonded Turntrans-127.6-0.1170.8-100.1-44.1000112.6R138 P392R138-D394 IonicContact CZ-OD1 3.47Å; R138-D394 IonicContact NE-OD1 3.32Å; R138-D394 IonicContact NH1-OD1 3.44Å; R138-D394 IonicContact NH2-OD1 2.7Å; R138-D394 PolarHBondContact NH2-OD1 2.58Å; R138-D394 IonicContact NH2-OD2 3.49Å; R138-D394 PolarHBondContact NH2-OD2 3.17Å; P392-D394 PolarHBondContact O-N 2.9Å
395A36.2Very low33Very low79 Ų79135.1 Ų135.165%0.65373%0.726SS**SBendtrans-122.3-5.6-175.300000116.8
396S32Very low32.9Very low85 Ų85137.1 Ų137.159%0.59473%0.728SS**SBendtrans-114.216.3-169.552.50000116.6
397T35.2Very low32.8Very low107 Ų107137.3 Ų137.366%0.65673%0.73SS**SBendtrans-10112.416945.40000114.1
398H33.1Very low32.8Very low162 Ų162135.8 Ų135.875%0.7572%0.724SS**SBendtrans-1144.4-173.7-81.2-69.1000116.6
399L31.9Very low32.7Very low159 Ų159134.9 Ų134.983%0.83273%0.73SS**SBendtrans-133.8133.7-179.9-83.3160.6000112.1
400L33.3Very low32.8Very low142 Ų142139.9 Ų139.974%0.74374%0.744SS**  trans92.458.8171-51.2169.3000116.3L402L400-L402 HydrophobicContact CD2-CD1 3.74Å
401N27.6Very low32.6Very low165 Ų165139.1 Ų139.188%0.88275%0.745SS**  trans-8195.4131.8-132.816000105.6
402L33.2Very low32.6Very low134 Ų134141.2 Ų141.270%0.70276%0.757SS**  trans-133.8104.9166.7-101.2164.3000106.1L400 Y404L400-L402 HydrophobicContact CD2-CD1 3.74Å; L402-Y404 PolarHBondContact O-N 2.87Å
403D32Very low32.8Very low148 Ų148142.9 Ų142.979%0.79177%0.766SS**  trans-51.9127.2167.8-71.6-53.4000109.4
404Y30.2Very low32.5Very low222 Ų222143.7 Ų143.787%0.87177%0.77SS**  trans-114.8110.9165.8-122.9-84.2000108.3L402L402-Y404 PolarHBondContact O-N 2.87Å
405P34.9Very low32.3Very low116 Ų116146.3 Ų146.375%0.75378%0.779SS**  trans-74.1142.9171.629.8-29.4000110.1
406R29.6Very low32.2Very low240 Ų240150.2 Ų150.291%0.90679%0.788SS**  trans-80.4119.7-176.7-173-176.7-167.2174.21.1109.2
407N32.3Very low32.1Very low152 Ų152152.4 Ų152.481%0.81380%0.797SS**  trans-159.8102.9156.5-92.1-13.5000106.5
408S33.2Very low32Very low97 Ų97152.6 Ų152.668%0.67880%0.803SS**  63.2121.397.1700000114
409S35Very low32Very low111 Ų111149.5 Ų149.578%0.77680%0.8SS**  trans81129.6168.270.30000118.8
410Q34.3Very low32.2Very low187 Ų187148.6 Ų148.687%0.87480%0.796SS**  trans80.9126.4157.4-79.7169.9-20.300119.6
411N30.2Very low32.3Very low152 Ų152149.6 Ų149.681%0.81380%0.802SS**  trans-27.5128.8164.6-65.6-22.8000112.8
412D32.7Very low32.5Very low154 Ų154150.4 Ų150.482%0.82480%0.803SS**  trans-158.6124.9138.7-91.7-30.5000111.1L414D412-L414 PolarHBondContact O-N 3.38Å
413T32.4Very low32.5Very low136 Ų136152 Ų15283%0.83481%0.811SS**  trans-57.9107.3165.333.70000110.2Q415T413-Q415 PolarHBondContact O-N 3.13Å
414L30.5Very low32.4Very low154 Ų154152.9 Ų152.981%0.80681%0.81SS**  trans-81.992173.9-109.2146.6000110.5D412 L416D412-L414 PolarHBondContact O-N 3.38Å; L414-L416 HydrophobicContact CD2-CD1 4.26Å; L414-L416 PolarHBondContact O-N 2.88Å
415Q29.4Very low32.5Very low171 Ų171148.2 Ų148.280%0.79981%0.809SS**  trans-69.8114.6156.6-76.7-174.6-6.900108.6T413T413-Q415 PolarHBondContact O-N 3.13Å
416L32.5Very low32.4Very low161 Ų161148.9 Ų148.984%0.84381%0.806SS**  trans-92.599.5166.2-114.9112.8000108.5L414 S418L414-L416 HydrophobicContact CD2-CD1 4.26Å; L414-L416 PolarHBondContact O-N 2.88Å; L416-S418 PolarHBondContact O-N 3.21Å
417T29.7Very low32.7Very low130 Ų130145.3 Ų145.380%0.79880%0.804SS**  trans-75.9110.4165.935.10000109.2
418S34.5Very low32.8Very low112 Ų112145.5 Ų145.578%0.78381%0.805SS**  trans-102.5111.5161.4170.40000107.3L416L416-S418 PolarHBondContact O-N 3.21Å
419S33.5Very low33.1Very low96 Ų96144 Ų14467%0.67180%0.804SS**  trans-56153.7168.142.80000111.6
420N35.7Very low33.2Very low140 Ų140149.3 Ų149.375%0.74983%0.832SS**  trans81.879.1173.5-53-17.7000116.3
421N35.4Very low33.2Very low164 Ų164147.4 Ų147.488%0.87783%0.829SS**  -176.7112.2111.1-88.5-25.2000109.6L423N421-L423 PolarHBondContact O-N 2.78Å
422M30.7Very low33.3Very low182 Ų182147.2 Ų147.290%0.89783%0.83SS**  trans-61.8123.7166.9-73.3-160.7-64.700109.8
423L33Very low33.3Very low166 Ų166146.8 Ų146.887%0.86983%0.831SS**  trans-155.793145.9-109.5148.8000107.5N421 C425N421-L423 PolarHBondContact O-N 2.78Å; L423-C425 PolarHBondContact O-N 2.97Å
424H30.9Very low33.4Very low167 Ų167147.4 Ų147.477%0.77383%0.831SS**  trans-55.2126.4162.8-107.1-88.2000109.2
425C31.8Very low33.6Very low125 Ų125147 Ų14785%0.84583%0.832SS**  trans-136.6103148.4-960000106.5L423L423-C425 PolarHBondContact O-N 2.97Å
426N32.3Very low33.9Very low129 Ų129145.4 Ų145.469%0.6983%0.834SS**  trans-80.6129.5169.8-146.516.9000106.9
427L36.9Very low34Very low165 Ų165144.3 Ų144.386%0.86483%0.834SS**  trans-145.374.6166.1-125.8121.6000107.4
428D34Very low34.3Very low156 Ų156145.4 Ų145.483%0.83484%0.836SS**  trans-86.3127.7151.4-81.2-29.6000107.2
429G38.9Very low34.3Very low65 Ų65148.2 Ų148.267%0.6784%0.841SS**  trans172.977.4-179.900000112
430V38.2Very low34.3Very low223 Ų223152.9 Ų152.9100%1.35286%0.856SS**  trans87.60176-1680000116.3

Retrieved 430 of 430 residues in 402.4 ms (Link to these results)

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