A0A087YIC8_POEFO Loading...

Eukaryotic translation initiation factor 3 subunit K

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB , UniProt , Accession A0A087YIC8, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3K, Length 220 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
1M41.9Very low75.6Confident245 Ų24591 Ų91100%1.20748%0.482SS*.  0119.20-80.5-179.9-96.300106S3M1-S3 PolarHBondContact O-N 3.17Å
2A51.8Low76.6Confident49 Ų4983.4 Ų83.441%0.40544%0.442SS..  trans-59.3135.117500000108.5E6 Q7A2-E6 WeakPolarHBondContact CA-OE2 3.28Å; A2-E6 HydrophobicContact CB-CB 4.27Å; A2-E6 WeakPolarHBondContact CB-OE2 3.46Å; A2-Q7 HydrophobicContact CB-CG 4.2Å
3S67.8Low77.3Confident48 Ų4879.2 Ų79.234%0.33643%0.431SS..  trans-61.3156.9177.7700000110.1M1 F5 E6 Q7 E40M1-S3 PolarHBondContact O-N 3.17Å; S3-F5 PolarHBondContact O-N 2.73Å; S3-E6 PolarHBondContact O-N 3.04Å; S3-E6 PolarHBondContact OG-N 3.4Å; S3-Q7 PolarHBondContact O-N 2.73Å; S3-E40 WeakPolarHBondContact CB-OE2 3.42Å; S3-E40 PolarHBondContact OG-OE2 3.15Å
4T78.3Confident77.9Confident77 Ų7784.4 Ų84.447%0.47245%0.447SS..Hα-helixtrans-54.8-37178-40.20000110.3Q7 M8 E40T4-Q7 PolarHBondContact O-N 3.01Å; T4-M8 HydrophobicContact CG2-SD 4.42Å; T4-M8 WeakPolarHBondContact O-CG 3.35Å; T4-M8 PolarHBondContact O-N 3.46Å; T4-M8 VanDerWaalsContact O-N 3.14Å; T4-E40 VanDerWaalsContact CB-OE1 3.26Å; T4-E40 WeakPolarHBondContact CB-OE1 3.36Å; T4-E40 PolarHBondContact OG1-OE1 2.62Å
5F81.5Confident78.3Confident17 Ų1780.5 Ų80.58%0.07543%0.427CS..Hα-helixtrans-59.1-46.9174.6-177.9-100.7000113.9S3 Q7 M8 R9 Y33 T36 Q37 E40 A42S3-F5 PolarHBondContact O-N 2.73Å; F5-Q7 VanDerWaalsContact C-N 3.31Å; F5-Q7 PolarHBondContact O-N 3.33Å; F5-M8 PolarHBondContact O-N 3.37Å; F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.41Å; F5-R9 PolarHBondContact O-N 3.45Å; F5-Y33 HydrophobicContact CD2-CD2 4.22Å; F5-Y33 AromaticContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CE2-CD2 4.18Å; F5-Y33 HydrophobicContact CE2-CE1 4.3Å; F5-Y33 AromaticContact CE2-CE2 3.27Å; F5-Y33 HydrophobicContact CE2-CE2 3.27Å; F5-Y33 AromaticContact CE2-CZ 3.36Å; F5-Y33 VanDerWaalsContact CE2-OH 3.29Å; F5-Y33 WeakPolarHBondContact CE2-OH 3.39Å; F5-Y33 HydrophobicContact CG-CE2 4.43Å; F5-Y33 HydrophobicContact CZ-CE2 4.04Å; F5-Y33 AromaticContact CZ-CZ 3.79Å; F5-Y33 WeakPolarHBondContact CZ-OH 3.41Å; F5-T36 HydrophobicContact CB-CG2 4.02Å; F5-T36 HydrophobicContact CD2-CG2 4.25Å; F5-Q37 HydrophobicContact CD2-CG 4.28Å; F5-Q37 HydrophobicContact CE2-CG 3.57Å; F5-Q37 HydrophobicContact CZ-CG 4.46Å; F5-E40 WeakPolarHBondContact CB-OE2 3.33Å; F5-E40 PolarHBondContact N-OE2 3.44Å; F5-A42 HydrophobicContact CD1-CB 3.64Å; F5-A42 HydrophobicContact CD2-CB 3.52Å; F5-A42 HydrophobicContact CE1-CB 3.56Å; F5-A42 HydrophobicContact CE2-CB 3.45Å; F5-A42 VanDerWaalsContact CE2-CB 3.45Å; F5-A42 HydrophobicContact CG-CB 3.62Å; F5-A42 HydrophobicContact CZ-CB 3.46Å; F5-A42 VanDerWaalsContact CZ-CB 3.46Å
6E82.4Confident78.6Confident117 Ų11776.2 Ų76.255%0.54740%0.404SS..Hα-helixtrans-63-37.8-178-76.3-177.4159.500112.7A2 S3 A10A2-E6 WeakPolarHBondContact CA-OE2 3.28Å; A2-E6 HydrophobicContact CB-CB 4.27Å; A2-E6 WeakPolarHBondContact CB-OE2 3.46Å; S3-E6 PolarHBondContact O-N 3.04Å; S3-E6 PolarHBondContact OG-N 3.4Å; E6-A10 PolarHBondContact O-N 3.21Å
7Q81.9Confident78.7Confident131 Ų13183.5 Ų83.561%0.61243%0.425SS*.Hα-helixtrans-67.7-43.7176.7-62.4-17915.300111.3A2 S3 T4 F5A2-Q7 HydrophobicContact CB-CG 4.2Å; S3-Q7 PolarHBondContact O-N 2.73Å; T4-Q7 PolarHBondContact O-N 3.01Å; F5-Q7 VanDerWaalsContact C-N 3.31Å; F5-Q7 PolarHBondContact O-N 3.33Å
8M85.8Confident78.5Confident29 Ų2981.9 Ų81.914%0.14343%0.432CS..Hα-helixtrans-66.4-38.4176.6-69.1-174.875.600111.8T4 F5 A10 N11 V12 R32 Y33T4-M8 HydrophobicContact CG2-SD 4.42Å; T4-M8 WeakPolarHBondContact O-CG 3.35Å; T4-M8 PolarHBondContact O-N 3.46Å; T4-M8 VanDerWaalsContact O-N 3.14Å; F5-M8 PolarHBondContact O-N 3.37Å; M8-A10 VanDerWaalsContact C-N 3.33Å; M8-A10 PolarHBondContact O-N 2.93Å; M8-N11 WeakPolarHBondContact O-CB 3.36Å; M8-N11 PolarHBondContact O-N 3.17Å; M8-V12 WeakPolarHBondContact O-CB 3.46Å; M8-V12 WeakPolarHBondContact O-CG2 3.48Å; M8-V12 PolarHBondContact O-N 3.47Å; M8-R32 HydrophobicContact CE-CB 4.2Å; M8-R32 HydrophobicContact CE-CG 4.03Å; M8-Y33 HydrophobicContact CB-CD2 3.59Å; M8-Y33 HydrophobicContact CB-CE2 3.9Å; M8-Y33 HydrophobicContact CE-CD2 4.31Å; M8-Y33 HydrophobicContact SD-CD2 4.48Å
9R87.8Confident78.4Confident140 Ų14085.1 Ų85.153%0.52845%0.448SS..Hα-helixtrans-58.6-42178.8-175173.3-171.5-169.43.2112.5F5 N11 G13 Y33F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.41Å; F5-R9 PolarHBondContact O-N 3.45Å; R9-N11 VanDerWaalsContact C-N 3.3Å; R9-N11 PolarHBondContact O-N 3.02Å; R9-G13 PolarHBondContact O-N 3.49Å; R9-Y33 HydrophobicContact CB-CE2 4.22Å; R9-Y33 WeakPolarHBondContact CB-OH 3.45Å; R9-Y33 WeakPolarHBondContact CG-OH 3.43Å
10A85.6Confident78.5Confident65 Ų6584.9 Ų84.954%0.53745%0.447SS..Hα-helixtrans-65.5-34.6176.900000112.6E6 M8 K14E6-A10 PolarHBondContact O-N 3.21Å; M8-A10 VanDerWaalsContact C-N 3.33Å; M8-A10 PolarHBondContact O-N 2.93Å; A10-K14 WeakPolarHBondContact O-CG 3.47Å; A10-K14 PolarHBondContact O-N 3.22Å
11N86.3Confident78.5Confident83 Ų8384 Ų8444%0.44444%0.438SS..Hα-helixtrans-73.3-48.7176.4-169.634.4000111.5M8 R9 G13 K14 L15M8-N11 WeakPolarHBondContact O-CB 3.36Å; M8-N11 PolarHBondContact O-N 3.17Å; R9-N11 VanDerWaalsContact C-N 3.3Å; R9-N11 PolarHBondContact O-N 3.02Å; N11-G13 VanDerWaalsContact C-N 3.31Å; N11-G13 PolarHBondContact O-N 3.37Å; N11-K14 WeakPolarHBondContact O-CB 3.34Å; N11-K14 PolarHBondContact O-N 3.06Å; N11-L15 PolarHBondContact O-N 3.19Å
12V87.6Confident80.4Confident0 Ų076.1 Ų76.10%040%0.395CS..Hα-helixtrans-59.8-42.4176.7172.70000110.7M8 K14 L15 L16 L30 Y33 A47M8-V12 WeakPolarHBondContact O-CB 3.46Å; M8-V12 WeakPolarHBondContact O-CG2 3.48Å; M8-V12 PolarHBondContact O-N 3.47Å; V12-K14 PolarHBondContact O-N 2.89Å; V12-K14 VanDerWaalsContact O-N 3.14Å; V12-L15 WeakPolarHBondContact O-CB 3.38Å; V12-L15 PolarHBondContact O-N 3.38Å; V12-L16 HydrophobicContact CG1-CD1 3.65Å; V12-L16 HydrophobicContact CG1-CG 4Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.12Å; V12-L30 HydrophobicContact CG1-CD2 3.79Å; V12-L30 HydrophobicContact CG2-CD2 4.24Å; V12-Y33 HydrophobicContact CB-CD1 4.38Å; V12-Y33 HydrophobicContact CB-CE1 4.29Å; V12-Y33 HydrophobicContact CG1-CD1 4.06Å; V12-Y33 HydrophobicContact CG1-CE1 3.97Å; V12-Y33 HydrophobicContact CG2-CD1 3.93Å; V12-Y33 HydrophobicContact CG2-CD2 4.2Å; V12-Y33 HydrophobicContact CG2-CE1 4.29Å; V12-Y33 HydrophobicContact CG2-CG 3.86Å; V12-A47 HydrophobicContact CG1-CB 3.83Å
13G86.4Confident82Confident29 Ų2976 Ų7630%0.29939%0.388SS..Hα-helixtrans-62.7-20175.200000114.6R9 N11 R17R9-G13 PolarHBondContact O-N 3.49Å; N11-G13 VanDerWaalsContact C-N 3.31Å; N11-G13 PolarHBondContact O-N 3.37Å; G13-R17 VanDerWaalsContact O-CD 3.3Å; G13-R17 WeakPolarHBondContact O-CD 3.34Å; G13-R17 VanDerWaalsContact O-CG 3.24Å; G13-R17 WeakPolarHBondContact O-CG 3.24Å; G13-R17 PolarHBondContact O-NE 3.49Å
14K85.2Confident82.8Confident151 Ų15175.6 Ų75.666%0.65738%0.384SS*.Hα-helixtrans-84.3-41.8169.4-69.9175.9-177.1178.50111.5A10 N11 V12 L16 R17A10-K14 WeakPolarHBondContact O-CG 3.47Å; A10-K14 PolarHBondContact O-N 3.22Å; N11-K14 WeakPolarHBondContact O-CB 3.34Å; N11-K14 PolarHBondContact O-N 3.06Å; V12-K14 PolarHBondContact O-N 2.89Å; V12-K14 VanDerWaalsContact O-N 3.14Å; K14-L16 VanDerWaalsContact C-N 3.29Å; K14-L16 PolarHBondContact O-N 2.77Å; K14-R17 WeakPolarHBondContact O-CB 3.32Å; K14-R17 PolarHBondContact O-N 2.78Å; K14-R17 VanDerWaalsContact O-N 3.08Å
15L84.2Confident83.3Confident27 Ų2779.2 Ų79.214%0.14140%0.395CS..Hα-helixtrans-61.3-37.1178-74156.8000112.5N11 V12 R17 D20 R21 N26 T29N11-L15 PolarHBondContact O-N 3.19Å; V12-L15 WeakPolarHBondContact O-CB 3.38Å; V12-L15 PolarHBondContact O-N 3.38Å; L15-R17 PolarHBondContact O-N 3.12Å; L15-D20 CarbonylContact O-C 3.56Å; L15-R21 PolarHBondContact O-N 3.07Å; L15-N26 HydrophobicContact CD2-CB 4.38Å; L15-N26 WeakPolarHBondContact CD2-OD1 3.41Å; L15-T29 HydrophobicContact CD1-CG2 4.27Å
16L83.3Confident83.6Confident11 Ų1179.7 Ų79.76%0.05840%0.399CS..THydrogen-bonded Turntrans-74.2-13.2177.7-64.1175.5000112.8V12 K14 E46 A47 A50V12-L16 HydrophobicContact CG1-CD1 3.65Å; V12-L16 HydrophobicContact CG1-CG 4Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.12Å; K14-L16 VanDerWaalsContact C-N 3.29Å; K14-L16 PolarHBondContact O-N 2.77Å; L16-E46 HydrophobicContact CD1-CB 4.34Å; L16-E46 HydrophobicContact CD1-CG 4.07Å; L16-A47 HydrophobicContact CD1-CB 4.07Å; L16-A50 HydrophobicContact CD2-CB 3.47Å; L16-A50 VanDerWaalsContact CD2-CB 3.47Å
17R79.9Confident83.9Confident201 Ų20174.3 Ų74.376%0.75837%0.374SS*.SBendtrans-87.9112.4176.4-70.7173.6-174.7-159.5-0.3110.2G13 K14 L15G13-R17 VanDerWaalsContact O-CD 3.3Å; G13-R17 WeakPolarHBondContact O-CD 3.34Å; G13-R17 VanDerWaalsContact O-CG 3.24Å; G13-R17 WeakPolarHBondContact O-CG 3.24Å; G13-R17 PolarHBondContact O-NE 3.49Å; K14-R17 WeakPolarHBondContact O-CB 3.32Å; K14-R17 PolarHBondContact O-N 2.78Å; K14-R17 VanDerWaalsContact O-N 3.08Å; L15-R17 PolarHBondContact O-N 3.12Å
18G75.5Confident84.4Confident54 Ų5473 Ų7356%0.55738%0.375SS*.SBendtrans98.4-147.617300000113R21G18-R21 WeakPolarHBondContact O-CD 3.4Å; G18-R21 VanDerWaalsContact O-CG 3.31Å; G18-R21 WeakPolarHBondContact O-CG 3.38Å
19I77.4Confident84.6Confident142 Ų14274.1 Ų74.173%0.72838%0.383SS*.G310 helixtrans-80.9-22.6-171.958.1172000113.5R21 Y22I19-R21 PolarHBondContact O-N 3Å; I19-R21 VanDerWaalsContact O-N 3.11Å; I19-Y22 PolarHBondContact O-N 2.84Å; I19-Y22 VanDerWaalsContact O-N 3.13Å
20D78.8Confident84.9Confident81 Ų8167.6 Ų67.643%0.43336%0.359SS..G310 helixtrans-64.9-18.4-176.4-67.4-36.7000113.1L15 Y22 N23 N26L15-D20 CarbonylContact O-C 3.56Å; D20-Y22 PolarHBondContact O-N 2.72Å; D20-Y22 VanDerWaalsContact O-N 3.09Å; D20-N23 PolarHBondContact O-N 3.46Å; D20-N23 VanDerWaalsContact O-N 3.08Å; D20-N26 PolarHBondContact O-ND2 2.92Å
21R79.9Confident85.3Confident68 Ų6865.9 Ų65.926%0.25734%0.34SS..G310 helixtrans-60.1-17.4173.875.6-179-64.1-176.16.2114.1L15 G18 I19L15-R21 PolarHBondContact O-N 3.07Å; G18-R21 WeakPolarHBondContact O-CD 3.4Å; G18-R21 VanDerWaalsContact O-CG 3.31Å; G18-R21 WeakPolarHBondContact O-CG 3.38Å; I19-R21 PolarHBondContact O-N 3Å; I19-R21 VanDerWaalsContact O-N 3.11Å
22Y80.1Confident85.6Confident78 Ų7869.5 Ų69.531%0.30635%0.347SS..G310 helixtrans-106.4-0.7179.9-56.5-62.7000113.1I19 D20 P24 K53 L54 F57I19-Y22 PolarHBondContact O-N 2.84Å; I19-Y22 VanDerWaalsContact O-N 3.13Å; D20-Y22 PolarHBondContact O-N 2.72Å; D20-Y22 VanDerWaalsContact O-N 3.09Å; Y22-P24 WeakPolarHBondContact O-CD 3.41Å; Y22-K53 HydrophobicContact CE1-CD 4.22Å; Y22-L54 WeakPolarHBondContact O-CD2 3.47Å; Y22-F57 HydrophobicContact CD1-CD2 4.21Å; Y22-F57 AromaticContact CD1-CE2 3.73Å; Y22-F57 HydrophobicContact CD1-CE2 3.73Å; Y22-F57 AromaticContact CE1-CE2 3.88Å; Y22-F57 HydrophobicContact CE1-CE2 3.88Å
23N85.8Confident85.9Confident48 Ų4869.5 Ų69.526%0.25735%0.347SS..  trans-78.5117.1178-175.8-2.7000109.9D20 E25 N26D20-N23 PolarHBondContact O-N 3.46Å; D20-N23 VanDerWaalsContact O-N 3.08Å; N23-E25 PolarHBondContact ND2-OE2 3.2Å; N23-E25 PolarHBondContact O-N 3.48Å; N23-E25 WeakPolarHBondContact OD1-CB 3.18Å; N23-E25 WeakPolarHBondContact OD1-CG 3.42Å; N23-E25 PolarHBondContact OD1-N 3.16Å; N23-N26 WeakPolarHBondContact O-CB 3.45Å; N23-N26 PolarHBondContact O-N 2.92Å; N23-N26 VanDerWaalsContact O-N 3.1Å
24P85.8Confident86.3Confident38 Ų3868.2 Ų68.225%0.24733%0.333CS..G310 helixtrans-63.4-18.117827.4-35.9000113.4Y22 N26 L27 Y61Y22-P24 WeakPolarHBondContact O-CD 3.41Å; P24-N26 PolarHBondContact O-N 2.92Å; P24-L27 WeakPolarHBondContact O-CB 3.13Å; P24-L27 PolarHBondContact O-N 2.75Å; P24-L27 VanDerWaalsContact O-N 3.1Å; P24-Y61 HydrophobicContact CB-CE2 4.2Å
25E87.6Confident86.7Confident153 Ų15364.5 Ų64.572%0.71532%0.318SS*.G310 helixtrans-63.3-25.3173.8-63.9179.2150.500112.6N23 L27N23-E25 PolarHBondContact ND2-OE2 3.2Å; N23-E25 PolarHBondContact O-N 3.48Å; N23-E25 WeakPolarHBondContact OD1-CB 3.18Å; N23-E25 WeakPolarHBondContact OD1-CG 3.42Å; N23-E25 PolarHBondContact OD1-N 3.16Å; E25-L27 PolarHBondContact O-N 3.2Å
26N88.2Confident87.1Confident28 Ų2864 Ų6415%0.1532%0.316CS..G310 helixtrans-78.5-11.8178.3-67.6-34.2000112.9L15 D20 N23 P24 T28 T29 L30L15-N26 HydrophobicContact CD2-CB 4.38Å; L15-N26 WeakPolarHBondContact CD2-OD1 3.41Å; D20-N26 PolarHBondContact O-ND2 2.92Å; N23-N26 WeakPolarHBondContact O-CB 3.45Å; N23-N26 PolarHBondContact O-N 2.92Å; N23-N26 VanDerWaalsContact O-N 3.1Å; P24-N26 PolarHBondContact O-N 2.92Å; N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 2.86Å; N26-T29 WeakPolarHBondContact O-CB 3.38Å; N26-T29 PolarHBondContact O-N 3.2Å; N26-L30 WeakPolarHBondContact O-CG 3.26Å; N26-L30 PolarHBondContact O-N 3.16Å
27L89.9Confident87.5Confident4 Ų463.5 Ų63.52%0.02131%0.314CS..Hα-helixtrans-59.9-44.5-173-156.3157.1000110.9P24 E25 T29 L30 E31 L54 Y55 Y61P24-L27 WeakPolarHBondContact O-CB 3.13Å; P24-L27 PolarHBondContact O-N 2.75Å; P24-L27 VanDerWaalsContact O-N 3.1Å; E25-L27 PolarHBondContact O-N 3.2Å; L27-T29 PolarHBondContact O-N 3.17Å; L27-L30 PolarHBondContact O-N 3.02Å; L27-E31 HydrophobicContact CD2-CG 3.49Å; L27-E31 VanDerWaalsContact CD2-CG 3.49Å; L27-E31 WeakPolarHBondContact CD2-OE1 3.47Å; L27-E31 VanDerWaalsContact O-CG 3.31Å; L27-E31 WeakPolarHBondContact O-CG 3.07Å; L27-E31 PolarHBondContact O-N 3.31Å; L27-L54 HydrophobicContact CB-CD1 4.48Å; L27-L54 HydrophobicContact CD1-CB 3.96Å; L27-L54 HydrophobicContact CG-CD1 4.42Å; L27-Y55 HydrophobicContact CD1-CD1 3.9Å; L27-Y55 HydrophobicContact CD1-CE1 3.75Å; L27-Y55 HydrophobicContact CD2-CD1 4.48Å; L27-Y55 HydrophobicContact CD2-CE1 3.52Å; L27-Y55 HydrophobicContact CG-CE1 4.06Å; L27-Y61 HydrophobicContact CD1-CG 4.35Å
28T91.1Very high88.1Confident103 Ų10354 Ų5463%0.63228%0.278SS*.Hα-helixtrans-57.7-35.8176.5-50.80000113.1N26 R32N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 2.86Å; T28-R32 PolarHBondContact O-N 3.38Å
29T91.4Very high88.8Confident52 Ų5259.4 Ų59.432%0.31928%0.282SS..Hα-helixtrans-72.5-40.4177.3-61.20000111.1L15 N26 L27 Y33L15-T29 HydrophobicContact CD1-CG2 4.27Å; N26-T29 WeakPolarHBondContact O-CB 3.38Å; N26-T29 PolarHBondContact O-N 3.2Å; L27-T29 PolarHBondContact O-N 3.17Å; T29-Y33 PolarHBondContact O-N 2.98Å; T29-Y33 VanDerWaalsContact O-N 3.09Å
30L92.4Very high89.5Confident3 Ų356.2 Ų56.22%0.01626%0.264CS..Hα-helixtrans-69.7-40.4179.2-65.2171.3000112.1V12 N26 L27 R32 Y33 V34 V51 L54V12-L30 HydrophobicContact CG1-CD2 3.79Å; V12-L30 HydrophobicContact CG2-CD2 4.24Å; N26-L30 WeakPolarHBondContact O-CG 3.26Å; N26-L30 PolarHBondContact O-N 3.16Å; L27-L30 PolarHBondContact O-N 3.02Å; L30-R32 PolarHBondContact O-N 3.08Å; L30-Y33 CarbonylContact O-C 3.15Å; L30-Y33 WeakPolarHBondContact O-CA 3.29Å; L30-Y33 VanDerWaalsContact O-CB 3.3Å; L30-Y33 WeakPolarHBondContact O-CB 3.44Å; L30-Y33 PolarHBondContact O-N 3.38Å; L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.35Å; L30-V51 HydrophobicContact CB-CG2 3.45Å; L30-V51 VanDerWaalsContact CB-CG2 3.45Å; L30-V51 HydrophobicContact CD1-CG2 4.18Å; L30-V51 HydrophobicContact CG-CG2 4.36Å; L30-L54 HydrophobicContact CD1-CD1 3.72Å
31E94.1Very high90Very high30 Ų3055.6 Ų55.614%0.1426%0.261CS..Hα-helixtrans-59.3-47174.6-70.4-179.6151.400111.5L27 Y33 V34 E35 Y55 Q63 V66L27-E31 HydrophobicContact CD2-CG 3.49Å; L27-E31 VanDerWaalsContact CD2-CG 3.49Å; L27-E31 WeakPolarHBondContact CD2-OE1 3.47Å; L27-E31 VanDerWaalsContact O-CG 3.31Å; L27-E31 WeakPolarHBondContact O-CG 3.07Å; L27-E31 PolarHBondContact O-N 3.31Å; E31-Y33 PolarHBondContact O-N 3.26Å; E31-V34 WeakPolarHBondContact O-CB 3.42Å; E31-V34 PolarHBondContact O-N 2.86Å; E31-E35 PolarHBondContact O-N 2.9Å; E31-Y55 WeakPolarHBondContact CG-OH 3.5Å; E31-Y55 PolarHBondContact OE1-OH 2.88Å; E31-Q63 WeakPolarHBondContact OE1-CG 3.48Å; E31-V66 HydrophobicContact CB-CG1 4.49Å; E31-V66 HydrophobicContact CB-CG2 4.08Å; E31-V66 HydrophobicContact CG-CG1 4.14Å; E31-V66 HydrophobicContact CG-CG2 3.89Å
32R93.4Very high90.5Very high158 Ų15853.1 Ų53.160%0.59626%0.255SS*.Hα-helixtrans-61.3-33174.9-172.1179176.6-178.8-0.4112.1M8 T28 L30 E35 T36M8-R32 HydrophobicContact CE-CB 4.2Å; M8-R32 HydrophobicContact CE-CG 4.03Å; T28-R32 PolarHBondContact O-N 3.38Å; L30-R32 PolarHBondContact O-N 3.08Å; R32-E35 PolarHBondContact O-N 3.41Å; R32-T36 PolarHBondContact O-N 3.42Å; R32-T36 PolarHBondContact O-OG1 2.78Å
33Y93.9Very high91Very high0 Ų051.9 Ų51.90%025%0.25CC..Hα-helixtrans-68.6-38.3174.9-174.8-120.7000111.7F5 M8 R9 V12 T29 L30 E31 T36 Q37 D44 A47F5-Y33 HydrophobicContact CD2-CD2 4.22Å; F5-Y33 AromaticContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CE2-CD2 4.18Å; F5-Y33 HydrophobicContact CE2-CE1 4.3Å; F5-Y33 AromaticContact CE2-CE2 3.27Å; F5-Y33 HydrophobicContact CE2-CE2 3.27Å; F5-Y33 AromaticContact CE2-CZ 3.36Å; F5-Y33 VanDerWaalsContact CE2-OH 3.29Å; F5-Y33 WeakPolarHBondContact CE2-OH 3.39Å; F5-Y33 HydrophobicContact CG-CE2 4.43Å; F5-Y33 HydrophobicContact CZ-CE2 4.04Å; F5-Y33 AromaticContact CZ-CZ 3.79Å; F5-Y33 WeakPolarHBondContact CZ-OH 3.41Å; M8-Y33 HydrophobicContact CB-CD2 3.59Å; M8-Y33 HydrophobicContact CB-CE2 3.9Å; M8-Y33 HydrophobicContact CE-CD2 4.31Å; M8-Y33 HydrophobicContact SD-CD2 4.48Å; R9-Y33 HydrophobicContact CB-CE2 4.22Å; R9-Y33 WeakPolarHBondContact CB-OH 3.45Å; R9-Y33 WeakPolarHBondContact CG-OH 3.43Å; V12-Y33 HydrophobicContact CB-CD1 4.38Å; V12-Y33 HydrophobicContact CB-CE1 4.29Å; V12-Y33 HydrophobicContact CG1-CD1 4.06Å; V12-Y33 HydrophobicContact CG1-CE1 3.97Å; V12-Y33 HydrophobicContact CG2-CD1 3.93Å; V12-Y33 HydrophobicContact CG2-CD2 4.2Å; V12-Y33 HydrophobicContact CG2-CE1 4.29Å; V12-Y33 HydrophobicContact CG2-CG 3.86Å; T29-Y33 PolarHBondContact O-N 2.98Å; T29-Y33 VanDerWaalsContact O-N 3.09Å; L30-Y33 CarbonylContact O-C 3.15Å; L30-Y33 WeakPolarHBondContact O-CA 3.29Å; L30-Y33 VanDerWaalsContact O-CB 3.3Å; L30-Y33 WeakPolarHBondContact O-CB 3.44Å; L30-Y33 PolarHBondContact O-N 3.38Å; E31-Y33 PolarHBondContact O-N 3.26Å; Y33-T36 WeakPolarHBondContact O-CB 3.49Å; Y33-T36 PolarHBondContact O-N 3.4Å; Y33-Q37 WeakPolarHBondContact O-CG 3.32Å; Y33-Q37 PolarHBondContact O-N 3.02Å; Y33-D44 HydrophobicContact CE1-CB 3.7Å; Y33-D44 WeakPolarHBondContact CE1-OD2 3.48Å; Y33-D44 PolarHBondContact OH-OD2 3.13Å; Y33-A47 HydrophobicContact CD1-CB 3.78Å; Y33-A47 HydrophobicContact CE1-CB 3.65Å
34V94.3Very high91.3Very high2 Ų250.6 Ų50.61%0.01224%0.243CC..Hα-helixtrans-61.2-45.9171.5174.80000111.2L30 E31 T36 Q37 A38 V51 V66 Q69 I70L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.35Å; E31-V34 WeakPolarHBondContact O-CB 3.42Å; E31-V34 PolarHBondContact O-N 2.86Å; V34-T36 PolarHBondContact O-N 3.18Å; V34-Q37 WeakPolarHBondContact O-CB 3.34Å; V34-Q37 PolarHBondContact O-N 2.62Å; V34-Q37 VanDerWaalsContact O-N 3.09Å; V34-A38 PolarHBondContact O-N 3.19Å; V34-V51 HydrophobicContact CG2-CG2 4.31Å; V34-V66 HydrophobicContact CB-CG1 4.08Å; V34-V66 HydrophobicContact CG1-CG1 3.99Å; V34-V66 HydrophobicContact CG2-CG1 4.12Å; V34-Q69 HydrophobicContact CG1-CB 3.9Å; V34-I70 HydrophobicContact CG1-CG1 3.79Å; V34-I70 HydrophobicContact CG2-CD1 4.12Å; V34-I70 HydrophobicContact CG2-CG1 3.99Å
35E92.9Very high91.5Very high73 Ų7350.8 Ų50.834%0.34124%0.242SC..Hα-helixtrans-59.3-38.3175.7-69.4-178-175.600111.9E31 R32 A38 R39E31-E35 PolarHBondContact O-N 2.9Å; R32-E35 PolarHBondContact O-N 3.41Å; E35-A38 PolarHBondContact O-N 3.13Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.94Å; E35-R39 IonicContact OE2-NH2 3.63Å
36T92.5Very high91.7Very high16 Ų1648.6 Ų48.610%0.09823%0.231CC..Hα-helixtrans-66.9-39.1177-540000111.1F5 R32 Y33 V34 A38 R39 E40F5-T36 HydrophobicContact CB-CG2 4.02Å; F5-T36 HydrophobicContact CD2-CG2 4.25Å; R32-T36 PolarHBondContact O-N 3.42Å; R32-T36 PolarHBondContact O-OG1 2.78Å; Y33-T36 WeakPolarHBondContact O-CB 3.49Å; Y33-T36 PolarHBondContact O-N 3.4Å; V34-T36 PolarHBondContact O-N 3.18Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 3.33Å; T36-R39 PolarHBondContact O-N 3.46Å; T36-E40 HydrophobicContact CG2-CG 4.14Å; T36-E40 WeakPolarHBondContact O-CB 3.36Å; T36-E40 PolarHBondContact O-N 3.34Å
37Q93.1Very high91.8Very high1 Ų147.4 Ų47.41%0.00523%0.225CC..Hα-helixtrans-59.3-42172.7-72.3175.567.100112.1F5 Y33 V34 N41 A42 N48F5-Q37 HydrophobicContact CD2-CG 4.28Å; F5-Q37 HydrophobicContact CE2-CG 3.57Å; F5-Q37 HydrophobicContact CZ-CG 4.46Å; Y33-Q37 WeakPolarHBondContact O-CG 3.32Å; Y33-Q37 PolarHBondContact O-N 3.02Å; V34-Q37 WeakPolarHBondContact O-CB 3.34Å; V34-Q37 PolarHBondContact O-N 2.62Å; V34-Q37 VanDerWaalsContact O-N 3.09Å; Q37-N41 WeakPolarHBondContact O-CA 3.31Å; Q37-N41 PolarHBondContact O-N 3.44Å; Q37-A42 WeakPolarHBondContact CB-O 3.49Å; Q37-A42 PolarHBondContact O-N 2.88Å; Q37-A42 VanDerWaalsContact O-N 3.08Å; Q37-N48 PolarHBondContact NE2-OD1 3.06Å; Q37-N48 PolarHBondContact OE1-ND2 3.18Å; Q37-N48 VanDerWaalsContact OE1-ND2 3.13Å; Q37-N48 PolarHBondContact OE1-OD1 3.4Å
38A91.8Very high92Very high1 Ų147.2 Ų47.21%0.00822%0.224CC..Hα-helixtrans-63.8-46.217700000112V34 E35 T36 G132 I133 T134V34-A38 PolarHBondContact O-N 3.19Å; E35-A38 PolarHBondContact O-N 3.13Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 3.33Å; A38-G132 CarbonylContact C-O 3.51Å; A38-I133 HydrophobicContact CB-CG1 4.31Å; A38-T134 PolarHBondContact O-N 2.65Å
39R91.1Very high92Very high168 Ų16843.3 Ų43.363%0.63420%0.2SC*.Hα-helixtrans-72.9-46.7-177.2-69.3179.9-173.4169.19.5113.7E35 T36 N41 T134E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.94Å; E35-R39 IonicContact OE2-NH2 3.63Å; T36-R39 PolarHBondContact O-N 3.46Å; R39-N41 VanDerWaalsContact C-N 3.27Å; R39-N41 PolarHBondContact O-N 3.21Å; R39-T134 WeakPolarHBondContact O-CB 3.43Å; R39-T134 PolarHBondContact O-OG1 3.39Å
40E90.9Very high92Very high76 Ų7641 Ų4136%0.35519%0.186SC..THydrogen-bonded Turntrans-86.75.1-176.2-62.3-167.6-169.900113.1S3 T4 F5 T36 A42S3-E40 WeakPolarHBondContact CB-OE2 3.42Å; S3-E40 PolarHBondContact OG-OE2 3.15Å; T4-E40 VanDerWaalsContact CB-OE1 3.26Å; T4-E40 WeakPolarHBondContact CB-OE1 3.36Å; T4-E40 PolarHBondContact OG1-OE1 2.62Å; F5-E40 WeakPolarHBondContact CB-OE2 3.33Å; F5-E40 PolarHBondContact N-OE2 3.44Å; T36-E40 HydrophobicContact CG2-CG 4.14Å; T36-E40 WeakPolarHBondContact O-CB 3.36Å; T36-E40 PolarHBondContact O-N 3.34Å; E40-A42 PolarHBondContact O-N 3.22Å
41N90.3Very high92.1Very high68 Ų6840.9 Ų40.936%0.36419%0.185SC..THydrogen-bonded Turntrans50.338-173.1-165.620000113.2Q37 R39 K73 T134Q37-N41 WeakPolarHBondContact O-CA 3.31Å; Q37-N41 PolarHBondContact O-N 3.44Å; R39-N41 VanDerWaalsContact C-N 3.27Å; R39-N41 PolarHBondContact O-N 3.21Å; N41-K73 PolarHBondContact OD1-NZ 3.14Å; N41-K73 VanDerWaalsContact OD1-NZ 3.11Å; N41-T134 HydrophobicContact CB-CG2 4.4Å; N41-T134 WeakPolarHBondContact CB-O 3.49Å; N41-T134 VanDerWaalsContact CG-O 3.25Å; N41-T134 PolarHBondContact OD1-O 3.11Å
42A90.1Very high92.1Very high16 Ų1639.6 Ų39.613%0.13218%0.179CC..  trans-95.5171173.800000110.4F5 Q37 E40 K73F5-A42 HydrophobicContact CD1-CB 3.64Å; F5-A42 HydrophobicContact CD2-CB 3.52Å; F5-A42 HydrophobicContact CE1-CB 3.56Å; F5-A42 HydrophobicContact CE2-CB 3.45Å; F5-A42 VanDerWaalsContact CE2-CB 3.45Å; F5-A42 HydrophobicContact CG-CB 3.62Å; F5-A42 HydrophobicContact CZ-CB 3.46Å; F5-A42 VanDerWaalsContact CZ-CB 3.46Å; Q37-A42 WeakPolarHBondContact CB-O 3.49Å; Q37-A42 PolarHBondContact O-N 2.88Å; Q37-A42 VanDerWaalsContact O-N 3.08Å; E40-A42 PolarHBondContact O-N 3.22Å; A42-K73 WeakPolarHBondContact O-CE 3.48Å; A42-K73 PolarHBondContact O-NZ 3.05Å
43Y91Very high91.9Very high51 Ų5132.4 Ų32.420%0.215%0.152CC..  trans-153.7132.9-178-171.1-107.8000112.3L45 K73 N77 D82Y43-L45 HydrophobicContact CE1-CB 3.95Å; Y43-K73 HydrophobicContact CD2-CB 4.11Å; Y43-K73 HydrophobicContact CE2-CB 4.08Å; Y43-N77 HydrophobicContact CD1-CB 4.45Å; Y43-N77 HydrophobicContact CE1-CB 4.04Å; Y43-N77 VanDerWaalsContact CE1-ND2 3.27Å; Y43-N77 WeakPolarHBondContact CE1-ND2 3.12Å; Y43-D82 WeakPolarHBondContact CE1-OD2 3.39Å; Y43-D82 VanDerWaalsContact CZ-OD2 3.26Å; Y43-D82 VanDerWaalsContact OH-CB 3.27Å; Y43-D82 WeakPolarHBondContact OH-CB 3.18Å; Y43-D82 PolarHBondContact OH-OD2 3.28Å
44D92.3Very high91.8Very high22 Ų2232.5 Ų32.512%0.11815%0.153CC..  trans-145.192.9179.4-165.5-27.9000110.4Y33 E46 A47 N48Y33-D44 HydrophobicContact CE1-CB 3.7Å; Y33-D44 WeakPolarHBondContact CE1-OD2 3.48Å; Y33-D44 PolarHBondContact OH-OD2 3.13Å; D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 2.77Å; D44-E46 PolarHBondContact OD1-N 3.48Å; D44-A47 HydrophobicContact CB-CB 4.22Å; D44-A47 PolarHBondContact O-N 3.47Å; D44-A47 PolarHBondContact OD1-N 3.31Å; D44-N48 PolarHBondContact O-N 3.31Å; D44-N48 VanDerWaalsContact O-N 3.14Å; D44-N48 PolarHBondContact O-ND2 3.06Å; D44-N48 PolarHBondContact O-OD1 3.15Å
45L90.1Very high91.7Very high42 Ų4232.6 Ų32.622%0.2215%0.153CC..Hα-helixtrans-60.6-39.6-176.1178.164000112.6Y43 A47 N48 L49 D82Y43-L45 HydrophobicContact CE1-CB 3.95Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 2.85Å; L45-N48 PolarHBondContact O-N 2.95Å; L45-L49 HydrophobicContact CD1-CD1 3.99Å; L45-L49 HydrophobicContact CD1-CD2 4.31Å; L45-L49 HydrophobicContact CD1-CG 3.85Å; L45-L49 HydrophobicContact CD2-CD1 4.37Å; L45-L49 HydrophobicContact CG-CD1 3.87Å; L45-L49 HydrophobicContact CG-CG 4.15Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.31Å; L45-D82 HydrophobicContact CD1-CB 3.92Å; L45-D82 HydrophobicContact CD2-CB 4.42Å; L45-D82 WeakPolarHBondContact CD2-OD1 3.33Å
46E90.4Very high91.5Very high107 Ų10731.9 Ų31.950%0.515%0.149SC..Hα-helixtrans-63.8-43-176.1-168.6-176.6177.600111L16 D44 A50L16-E46 HydrophobicContact CD1-CB 4.34Å; L16-E46 HydrophobicContact CD1-CG 4.07Å; D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 2.77Å; D44-E46 PolarHBondContact OD1-N 3.48Å; E46-A50 WeakPolarHBondContact O-CB 3.48Å; E46-A50 PolarHBondContact O-N 3.34Å
47A91.8Very high91.2Very high2 Ų235.3 Ų35.32%0.01716%0.163CC..Hα-helixtrans-64.4-41.8174.600000111.9V12 L16 Y33 D44 L45 A50 V51V12-A47 HydrophobicContact CG1-CB 3.83Å; L16-A47 HydrophobicContact CD1-CB 4.07Å; Y33-A47 HydrophobicContact CD1-CB 3.78Å; Y33-A47 HydrophobicContact CE1-CB 3.65Å; D44-A47 HydrophobicContact CB-CB 4.22Å; D44-A47 PolarHBondContact O-N 3.47Å; D44-A47 PolarHBondContact OD1-N 3.31Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 2.85Å; A47-A50 WeakPolarHBondContact O-CB 3.45Å; A47-A50 PolarHBondContact O-N 3.37Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.48Å
48N93.8Very high91Very high1 Ų137.5 Ų37.51%0.00518%0.175CC..Hα-helixtrans-63.8-45.8179.7-65.5-14.6000111.6Q37 D44 L45 A50 V51 L52 I70Q37-N48 PolarHBondContact NE2-OD1 3.06Å; Q37-N48 PolarHBondContact OE1-ND2 3.18Å; Q37-N48 VanDerWaalsContact OE1-ND2 3.13Å; Q37-N48 PolarHBondContact OE1-OD1 3.4Å; D44-N48 PolarHBondContact O-N 3.31Å; D44-N48 VanDerWaalsContact O-N 3.14Å; D44-N48 PolarHBondContact O-ND2 3.06Å; D44-N48 PolarHBondContact O-OD1 3.15Å; L45-N48 PolarHBondContact O-N 2.95Å; N48-A50 VanDerWaalsContact C-N 3.31Å; N48-A50 PolarHBondContact O-N 3.44Å; N48-V51 PolarHBondContact O-N 3.38Å; N48-L52 PolarHBondContact O-N 3.33Å; N48-L52 VanDerWaalsContact O-N 3.12Å; N48-I70 HydrophobicContact CB-CD1 4.45Å; N48-I70 HydrophobicContact CB-CG1 4.18Å; N48-I70 HydrophobicContact CB-CG2 3.85Å
49L91.4Very high90.8Very high21 Ų2141.3 Ų41.311%0.1120%0.2CC..Hα-helixtrans-64.4-35.7175.4-68.1176.7000111.8L45 L52 K53 L85 M89 I215L45-L49 HydrophobicContact CD1-CD1 3.99Å; L45-L49 HydrophobicContact CD1-CD2 4.31Å; L45-L49 HydrophobicContact CD1-CG 3.85Å; L45-L49 HydrophobicContact CD2-CD1 4.37Å; L45-L49 HydrophobicContact CG-CD1 3.87Å; L45-L49 HydrophobicContact CG-CG 4.15Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.31Å; L49-L52 PolarHBondContact O-N 2.84Å; L49-K53 WeakPolarHBondContact O-CB 3.3Å; L49-K53 PolarHBondContact O-N 3.3Å; L49-L85 HydrophobicContact CD2-CB 4.3Å; L49-M89 HydrophobicContact CD2-CG 4.07Å; L49-I215 HydrophobicContact CD1-CD1 3.85Å; L49-I215 HydrophobicContact CD1-CG1 4.4Å
50A91.4Very high90.7Very high3 Ų338.1 Ų38.13%0.02521%0.209CC..Hα-helixtrans-63.7-40.2175.100000112.4L16 E46 A47 N48 K53 L54L16-A50 HydrophobicContact CD2-CB 3.47Å; L16-A50 VanDerWaalsContact CD2-CB 3.47Å; E46-A50 WeakPolarHBondContact O-CB 3.48Å; E46-A50 PolarHBondContact O-N 3.34Å; A47-A50 WeakPolarHBondContact O-CB 3.45Å; A47-A50 PolarHBondContact O-N 3.37Å; N48-A50 VanDerWaalsContact C-N 3.31Å; N48-A50 PolarHBondContact O-N 3.44Å; A50-K53 PolarHBondContact O-N 2.92Å; A50-L54 WeakPolarHBondContact O-CG 3.43Å; A50-L54 PolarHBondContact O-N 3.35Å
51V93.8Very high90.7Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-61.8-52.3174.3172.80000111.1L30 V34 A47 N48 K53 L54 Y55 V66 I70L30-V51 HydrophobicContact CB-CG2 3.45Å; L30-V51 VanDerWaalsContact CB-CG2 3.45Å; L30-V51 HydrophobicContact CD1-CG2 4.18Å; L30-V51 HydrophobicContact CG-CG2 4.36Å; V34-V51 HydrophobicContact CG2-CG2 4.31Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.48Å; N48-V51 PolarHBondContact O-N 3.38Å; V51-K53 PolarHBondContact O-N 3.3Å; V51-L54 PolarHBondContact O-N 3.3Å; V51-L54 VanDerWaalsContact O-N 3.11Å; V51-Y55 HydrophobicContact CG1-CD2 4.06Å; V51-Y55 HydrophobicContact CG1-CE1 4.41Å; V51-Y55 HydrophobicContact CG1-CE2 3.43Å; V51-Y55 VanDerWaalsContact CG1-CE2 3.43Å; V51-Y55 PolarHBondContact O-N 2.94Å; V51-V66 HydrophobicContact CG1-CG1 4.04Å; V51-I70 HydrophobicContact CB-CD1 3.94Å; V51-I70 HydrophobicContact CG1-CD1 3.81Å
52L92.8Very high90.7Very high3 Ų338.8 Ų38.82%0.01621%0.205CC..Hα-helixtrans-58.4-37.7179-64.5179.8000111.5N48 L49 Y55 Q56 T67 I70 C86 M89 I90N48-L52 PolarHBondContact O-N 3.33Å; N48-L52 VanDerWaalsContact O-N 3.12Å; L49-L52 PolarHBondContact O-N 2.84Å; L52-Y55 PolarHBondContact O-N 2.85Å; L52-Q56 PolarHBondContact O-N 2.92Å; L52-T67 HydrophobicContact CD2-CG2 3.91Å; L52-I70 HydrophobicContact CD1-CG2 3.89Å; L52-I70 HydrophobicContact CD2-CD1 3.97Å; L52-I70 HydrophobicContact CD2-CG2 4.46Å; L52-I70 HydrophobicContact CG-CD1 4.08Å; L52-I70 HydrophobicContact CG-CG2 4.23Å; L52-C86 HydrophobicContact CD1-CB 3.76Å; L52-M89 HydrophobicContact CB-CB 3.81Å; L52-M89 HydrophobicContact CD1-CB 4.07Å; L52-I90 HydrophobicContact CD1-CG1 4.44Å; L52-I90 HydrophobicContact CD2-CD1 4.41Å; L52-I90 HydrophobicContact CD2-CG1 4.12Å
53K90.3Very high90.8Very high8 Ų842.7 Ų42.74%0.03522%0.22CC..Hα-helixtrans-67.9-40.9176.8-169.2166.1-172172.80113.5Y22 L49 A50 V51 Y55 Q56 F57 M89 T218Y22-K53 HydrophobicContact CE1-CD 4.22Å; L49-K53 WeakPolarHBondContact O-CB 3.3Å; L49-K53 PolarHBondContact O-N 3.3Å; A50-K53 PolarHBondContact O-N 2.92Å; V51-K53 PolarHBondContact O-N 3.3Å; K53-Y55 VanDerWaalsContact C-N 3.27Å; K53-Y55 PolarHBondContact O-N 3.38Å; K53-Q56 WeakPolarHBondContact O-CB 3.03Å; K53-Q56 PolarHBondContact O-N 3.07Å; K53-F57 HydrophobicContact CD-CE2 4.24Å; K53-F57 VanDerWaalsContact CE-CE2 3.47Å; K53-F57 HydrophobicContact CG-CD2 4.24Å; K53-F57 HydrophobicContact CG-CE2 3.91Å; K53-F57 HydrophobicContact CG-CZ 4.29Å; K53-F57 PolarHBondContact O-N 3.4Å; K53-M89 HydrophobicContact CB-CE 3.61Å; K53-M89 HydrophobicContact CD-CE 4.02Å; K53-M89 HydrophobicContact CG-CE 3.79Å; K53-T218 WeakPolarHBondContact CE-O 3.1Å; K53-T218 PolarHBondContact NZ-O 2.95Å; K53-T218 PolarHBondContact NZ-OG1 2.79Å
54L90.8Very high90.9Very high2 Ų242.1 Ų42.11%0.0122%0.222CC..Hα-helixtrans-62.1-37.8174.5-77.6170.2000111.4Y22 L27 L30 A50 V51 F57 N58Y22-L54 WeakPolarHBondContact O-CD2 3.47Å; L27-L54 HydrophobicContact CB-CD1 4.48Å; L27-L54 HydrophobicContact CD1-CB 3.96Å; L27-L54 HydrophobicContact CG-CD1 4.42Å; L30-L54 HydrophobicContact CD1-CD1 3.72Å; A50-L54 WeakPolarHBondContact O-CG 3.43Å; A50-L54 PolarHBondContact O-N 3.35Å; V51-L54 PolarHBondContact O-N 3.3Å; V51-L54 VanDerWaalsContact O-N 3.11Å; L54-F57 PolarHBondContact O-N 3.24Å; L54-N58 WeakPolarHBondContact O-CB 3.49Å; L54-N58 PolarHBondContact O-N 3.27Å; L54-N58 PolarHBondContact O-ND2 3.24Å
55Y92.3Very high90.8Very high4 Ų445.6 Ų45.62%0.01624%0.244CC..Hα-helixtrans-65-40.3172.6-64.8-29.8000112.5L27 E31 V51 L52 K53 F57 N58 P59 Y61 F62 Q63 V66L27-Y55 HydrophobicContact CD1-CD1 3.9Å; L27-Y55 HydrophobicContact CD1-CE1 3.75Å; L27-Y55 HydrophobicContact CD2-CD1 4.48Å; L27-Y55 HydrophobicContact CD2-CE1 3.52Å; L27-Y55 HydrophobicContact CG-CE1 4.06Å; E31-Y55 WeakPolarHBondContact CG-OH 3.5Å; E31-Y55 PolarHBondContact OE1-OH 2.88Å; V51-Y55 HydrophobicContact CG1-CD2 4.06Å; V51-Y55 HydrophobicContact CG1-CE1 4.41Å; V51-Y55 HydrophobicContact CG1-CE2 3.43Å; V51-Y55 VanDerWaalsContact CG1-CE2 3.43Å; V51-Y55 PolarHBondContact O-N 2.94Å; L52-Y55 PolarHBondContact O-N 2.85Å; K53-Y55 VanDerWaalsContact C-N 3.27Å; K53-Y55 PolarHBondContact O-N 3.38Å; Y55-F57 VanDerWaalsContact C-N 3.35Å; Y55-F57 PolarHBondContact O-N 2.97Å; Y55-N58 CarbonylContact O-C 3.2Å; Y55-N58 PolarHBondContact O-N 3.31Å; Y55-P59 WeakPolarHBondContact O-CA 3.48Å; Y55-Y61 VanDerWaalsContact CD1-O 3.3Å; Y55-Y61 WeakPolarHBondContact CD1-O 3.39Å; Y55-Y61 WeakPolarHBondContact CE1-O 3.42Å; Y55-F62 HydrophobicContact CD2-CD2 4.23Å; Y55-F62 HydrophobicContact CG-CD2 4.19Å; Y55-Q63 WeakPolarHBondContact OH-CB 3.49Å; Y55-V66 WeakPolarHBondContact OH-CB 3.35Å
56Q88.7Confident91Very high58 Ų5844 Ų4427%0.27124%0.236SC..Hα-helixtrans-61.5-41.9175.7-173.3174.446.900112L52 K53L52-Q56 PolarHBondContact O-N 2.92Å; K53-Q56 WeakPolarHBondContact O-CB 3.03Å; K53-Q56 PolarHBondContact O-N 3.07Å
57F87.5Confident91.2Very high88 Ų8838.9 Ų38.939%0.38621%0.213SC..Hα-helixtrans-75-27.2176.6-68.2-29.3000113.8Y22 K53 L54 Y55 T218Y22-F57 HydrophobicContact CD1-CD2 4.21Å; Y22-F57 AromaticContact CD1-CE2 3.73Å; Y22-F57 HydrophobicContact CD1-CE2 3.73Å; Y22-F57 AromaticContact CE1-CE2 3.88Å; Y22-F57 HydrophobicContact CE1-CE2 3.88Å; K53-F57 HydrophobicContact CD-CE2 4.24Å; K53-F57 VanDerWaalsContact CE-CE2 3.47Å; K53-F57 HydrophobicContact CG-CD2 4.24Å; K53-F57 HydrophobicContact CG-CE2 3.91Å; K53-F57 HydrophobicContact CG-CZ 4.29Å; K53-F57 PolarHBondContact O-N 3.4Å; L54-F57 PolarHBondContact O-N 3.24Å; Y55-F57 VanDerWaalsContact C-N 3.35Å; Y55-F57 PolarHBondContact O-N 2.97Å; F57-T218 WeakPolarHBondContact CZ-O 3.5Å
58N89.1Confident91.3Very high47 Ų4739.3 Ų39.325%0.25122%0.215SC..  trans-132.878.4-176.4-47.9-92.6000110.6L54 Y55 A60 Y61L54-N58 WeakPolarHBondContact O-CB 3.49Å; L54-N58 PolarHBondContact O-N 3.27Å; L54-N58 PolarHBondContact O-ND2 3.24Å; Y55-N58 CarbonylContact O-C 3.2Å; Y55-N58 PolarHBondContact O-N 3.31Å; N58-A60 PolarHBondContact O-N 3.36Å; N58-Y61 HydrophobicContact CB-CD2 3.59Å; N58-Y61 HydrophobicContact CB-CE2 4.17Å; N58-Y61 PolarHBondContact O-N 3.49Å
59P87.4Confident91.3Very high81 Ų8140.8 Ų40.853%0.52622%0.222SC..G310 helixtrans-56.9-26.1-175.5-2835.7000114.4Y55 Y61 F62Y55-P59 WeakPolarHBondContact O-CA 3.48Å; P59-Y61 PolarHBondContact O-N 3.36Å; P59-F62 VanDerWaalsContact O-CB 3.3Å; P59-F62 WeakPolarHBondContact O-CB 3.48Å; P59-F62 PolarHBondContact O-N 3.32Å; P59-F62 VanDerWaalsContact O-N 3.14Å
60A89.4Confident91.4Very high100 Ų10039.9 Ų39.983%0.82622%0.217SC*.G310 helixtrans-63.7-20.4177.700000114.2N58N58-A60 PolarHBondContact O-N 3.36Å
61Y89.9Confident91.6Very high127 Ų12739.7 Ų39.750%0.49822%0.216SC..G310 helixtrans-992.5177.9-63.5-82.8000113P24 L27 Y55 N58 P59 Q63P24-Y61 HydrophobicContact CB-CE2 4.2Å; L27-Y61 HydrophobicContact CD1-CG 4.35Å; Y55-Y61 VanDerWaalsContact CD1-O 3.3Å; Y55-Y61 WeakPolarHBondContact CD1-O 3.39Å; Y55-Y61 WeakPolarHBondContact CE1-O 3.42Å; N58-Y61 HydrophobicContact CB-CD2 3.59Å; N58-Y61 HydrophobicContact CB-CE2 4.17Å; N58-Y61 PolarHBondContact O-N 3.49Å; P59-Y61 PolarHBondContact O-N 3.36Å; Y61-Q63 PolarHBondContact O-N 3.4Å
62F91.1Very high91.5Very high31 Ų3139.8 Ų39.814%0.13622%0.216CC..  trans-56.8123.5-177.3-174.9-85000110.9Y55 P59 T67 H94 E98 I101Y55-F62 HydrophobicContact CD2-CD2 4.23Å; Y55-F62 HydrophobicContact CG-CD2 4.19Å; P59-F62 VanDerWaalsContact O-CB 3.3Å; P59-F62 WeakPolarHBondContact O-CB 3.48Å; P59-F62 PolarHBondContact O-N 3.32Å; P59-F62 VanDerWaalsContact O-N 3.14Å; F62-T67 HydrophobicContact CE2-CG2 4.44Å; F62-T67 HydrophobicContact CZ-CG2 4.07Å; F62-H94 AromaticContact CE1-CD2 3.98Å; F62-H94 HydrophobicContact CE2-CB 4.31Å; F62-H94 HydrophobicContact CZ-CB 4.02Å; F62-H94 AromaticContact CZ-CG 3.97Å; F62-E98 VanDerWaalsContact CE1-OE2 3.25Å; F62-E98 WeakPolarHBondContact CE1-OE2 3.36Å; F62-I101 HydrophobicContact CE1-CD1 4.04Å; F62-I101 HydrophobicContact CZ-CD1 3.64Å
63Q91.9Very high91.6Very high98 Ų9839.8 Ų39.846%0.45822%0.216SC..  trans-116.6115.9176-70.5-8145.500110.9E31 Y55 Y61 T65 V66 T67E31-Q63 WeakPolarHBondContact OE1-CG 3.48Å; Y55-Q63 WeakPolarHBondContact OH-CB 3.49Å; Y61-Q63 PolarHBondContact O-N 3.4Å; Q63-T65 PolarHBondContact O-N 3.08Å; Q63-V66 HydrophobicContact CB-CB 4.22Å; Q63-V66 HydrophobicContact CB-CG2 4.04Å; Q63-V66 PolarHBondContact O-N 3Å; Q63-T67 WeakPolarHBondContact O-CB 3.32Å; Q63-T67 PolarHBondContact O-N 2.8Å; Q63-T67 VanDerWaalsContact O-N 3.08Å; Q63-T67 PolarHBondContact O-OG1 3.1Å
64T92Very high91.7Very high39 Ų3939.4 Ų39.424%0.23922%0.215CC..Hα-helixtrans-61.5-41.3179.9-51.40000112.1S68 E98 P100 I101T64-S68 WeakPolarHBondContact O-CB 3.34Å; T64-S68 PolarHBondContact O-N 3.24Å; T64-S68 PolarHBondContact O-OG 3.14Å; T64-E98 WeakPolarHBondContact CB-OE2 3.28Å; T64-E98 VanDerWaalsContact CG2-OE2 3.3Å; T64-E98 WeakPolarHBondContact CG2-OE2 3.18Å; T64-E98 PolarHBondContact OG1-OE2 3.24Å; T64-P100 VanDerWaalsContact CG2-CD 3.42Å; T64-I101 HydrophobicContact CG2-CD1 4.26Å; T64-I101 HydrophobicContact CG2-CG1 4.23Å
65T91.8Very high91.7Very high96 Ų9639.4 Ų39.459%0.58922%0.215SC*.Hα-helixtrans-64.9-45.9-178.7-54.30000112.3Q63 S68 Q69Q63-T65 PolarHBondContact O-N 3.08Å; T65-S68 WeakPolarHBondContact O-CB 3.07Å; T65-S68 PolarHBondContact O-N 3.3Å; T65-Q69 WeakPolarHBondContact O-CG 3.24Å; T65-Q69 PolarHBondContact O-N 3.05Å
66V93.8Very high91.6Very high8 Ų840 Ų405%0.04822%0.219CC..Hα-helixtrans-66.7-43.9179.9-179.50000110E31 V34 V51 Y55 Q63 S68 Q69 I70E31-V66 HydrophobicContact CB-CG1 4.49Å; E31-V66 HydrophobicContact CB-CG2 4.08Å; E31-V66 HydrophobicContact CG-CG1 4.14Å; E31-V66 HydrophobicContact CG-CG2 3.89Å; V34-V66 HydrophobicContact CB-CG1 4.08Å; V34-V66 HydrophobicContact CG1-CG1 3.99Å; V34-V66 HydrophobicContact CG2-CG1 4.12Å; V51-V66 HydrophobicContact CG1-CG1 4.04Å; Y55-V66 WeakPolarHBondContact OH-CB 3.35Å; Q63-V66 HydrophobicContact CB-CB 4.22Å; Q63-V66 HydrophobicContact CB-CG2 4.04Å; Q63-V66 PolarHBondContact O-N 3Å; V66-S68 VanDerWaalsContact C-N 3.29Å; V66-S68 PolarHBondContact O-N 3.17Å; V66-Q69 PolarHBondContact O-N 3.36Å; V66-I70 HydrophobicContact CG1-CD1 4.11Å; V66-I70 WeakPolarHBondContact O-CG1 3.39Å; V66-I70 PolarHBondContact O-N 3.28Å
67T94Very high91.6Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-59-41.5176-58.60000111.7L52 F62 Q63 I70 L71 I90 I101L52-T67 HydrophobicContact CD2-CG2 3.91Å; F62-T67 HydrophobicContact CE2-CG2 4.44Å; F62-T67 HydrophobicContact CZ-CG2 4.07Å; Q63-T67 WeakPolarHBondContact O-CB 3.32Å; Q63-T67 PolarHBondContact O-N 2.8Å; Q63-T67 VanDerWaalsContact O-N 3.08Å; Q63-T67 PolarHBondContact O-OG1 3.1Å; T67-I70 PolarHBondContact O-N 3.45Å; T67-L71 HydrophobicContact CG2-CD1 4.42Å; T67-L71 WeakPolarHBondContact O-CG 3.46Å; T67-L71 PolarHBondContact O-N 3.02Å; T67-I90 HydrophobicContact CG2-CD1 3.56Å; T67-I90 HydrophobicContact CG2-CG1 4.12Å; T67-I101 HydrophobicContact CG2-CD1 3.84Å; T67-I101 HydrophobicContact CG2-CG1 4.42Å
68S93.2Very high91.3Very high10 Ų1036.1 Ų36.17%0.0720%0.204CC..Hα-helixtrans-61.7-44.9175.9-610000112.1T64 T65 V66 L71 L72 I104T64-S68 WeakPolarHBondContact O-CB 3.34Å; T64-S68 PolarHBondContact O-N 3.24Å; T64-S68 PolarHBondContact O-OG 3.14Å; T65-S68 WeakPolarHBondContact O-CB 3.07Å; T65-S68 PolarHBondContact O-N 3.3Å; V66-S68 VanDerWaalsContact C-N 3.29Å; V66-S68 PolarHBondContact O-N 3.17Å; S68-L71 PolarHBondContact O-N 3.31Å; S68-L72 WeakPolarHBondContact O-CB 3.36Å; S68-L72 WeakPolarHBondContact O-CD1 3.36Å; S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.3Å; S68-L72 PolarHBondContact O-N 3.09Å; S68-I104 VanDerWaalsContact CB-CD1 3.46Å
69Q94.1Very high90.7Very high33 Ų3335.3 Ų35.315%0.15420%0.201CC..Hα-helixtrans-63-42.2176.5-72.3175.3-800112V34 T65 V66 L72 K73V34-Q69 HydrophobicContact CG1-CB 3.9Å; T65-Q69 WeakPolarHBondContact O-CG 3.24Å; T65-Q69 PolarHBondContact O-N 3.05Å; V66-Q69 PolarHBondContact O-N 3.36Å; Q69-L72 PolarHBondContact O-N 2.94Å; Q69-K73 VanDerWaalsContact O-CB 3.27Å; Q69-K73 WeakPolarHBondContact O-CB 3.49Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.34Å; Q69-K73 PolarHBondContact O-N 3.35Å
70I95Very high90.4Very high1 Ų134.9 Ų34.91%0.00519%0.192CC..Hα-helixtrans-59.2-49.9175.7-70.3168.2000110.5V34 N48 V51 L52 V66 T67 K73 A74 C86V34-I70 HydrophobicContact CG1-CG1 3.79Å; V34-I70 HydrophobicContact CG2-CD1 4.12Å; V34-I70 HydrophobicContact CG2-CG1 3.99Å; N48-I70 HydrophobicContact CB-CD1 4.45Å; N48-I70 HydrophobicContact CB-CG1 4.18Å; N48-I70 HydrophobicContact CB-CG2 3.85Å; V51-I70 HydrophobicContact CB-CD1 3.94Å; V51-I70 HydrophobicContact CG1-CD1 3.81Å; L52-I70 HydrophobicContact CD1-CG2 3.89Å; L52-I70 HydrophobicContact CD2-CD1 3.97Å; L52-I70 HydrophobicContact CD2-CG2 4.46Å; L52-I70 HydrophobicContact CG-CD1 4.08Å; L52-I70 HydrophobicContact CG-CG2 4.23Å; V66-I70 HydrophobicContact CG1-CD1 4.11Å; V66-I70 WeakPolarHBondContact O-CG1 3.39Å; V66-I70 PolarHBondContact O-N 3.28Å; T67-I70 PolarHBondContact O-N 3.45Å; I70-K73 PolarHBondContact O-N 2.96Å; I70-A74 WeakPolarHBondContact O-CB 3.09Å; I70-A74 PolarHBondContact O-N 3.03Å; I70-C86 HydrophobicContact CG2-CB 4.47Å
71L93.9Very high90Very high0 Ų030.9 Ų30.90%016%0.157CC..Hα-helixtrans-62-45.7-180-73.3174.3000112.1T67 S68 K73 A74 L75 F83 C86 I90 I101 I104 L105T67-L71 HydrophobicContact CG2-CD1 4.42Å; T67-L71 WeakPolarHBondContact O-CG 3.46Å; T67-L71 PolarHBondContact O-N 3.02Å; S68-L71 PolarHBondContact O-N 3.31Å; L71-K73 PolarHBondContact O-N 3.11Å; L71-A74 WeakPolarHBondContact O-CB 3.27Å; L71-A74 PolarHBondContact O-N 2.96Å; L71-L75 PolarHBondContact O-N 3.36Å; L71-F83 HydrophobicContact CB-CE2 4.39Å; L71-F83 HydrophobicContact CD2-CD2 4.38Å; L71-F83 HydrophobicContact CD2-CE2 4.08Å; L71-C86 HydrophobicContact CD2-CB 3.95Å; L71-I90 HydrophobicContact CD1-CD1 3.74Å; L71-I90 HydrophobicContact CD2-CD1 3.81Å; L71-I90 HydrophobicContact CG-CD1 3.94Å; L71-I101 HydrophobicContact CD1-CG2 3.93Å; L71-I104 HydrophobicContact CB-CG2 3.68Å; L71-I104 HydrophobicContact CD1-CG2 4.36Å; L71-L105 HydrophobicContact CD1-CD2 4.32Å; L71-L105 HydrophobicContact CD2-CD2 4.4Å
72L93.6Very high89.9Confident2 Ų225.4 Ų25.41%0.0114%0.137CC..Hα-helixtrans-64.9-39.9178.3-72.2164.2000111.5S68 Q69 L75 T76 I104 L129 I130 I133 F136S68-L72 WeakPolarHBondContact O-CB 3.36Å; S68-L72 WeakPolarHBondContact O-CD1 3.36Å; S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.3Å; S68-L72 PolarHBondContact O-N 3.09Å; Q69-L72 PolarHBondContact O-N 2.94Å; L72-L75 HydrophobicContact CD2-CD1 4.44Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.92Å; L72-T76 WeakPolarHBondContact O-CG2 3.41Å; L72-T76 PolarHBondContact O-N 2.93Å; L72-T76 VanDerWaalsContact O-N 3.15Å; L72-I104 HydrophobicContact CD1-CD1 3.93Å; L72-I104 HydrophobicContact CD1-CG1 4.37Å; L72-I104 HydrophobicContact CD2-CD1 4.49Å; L72-I104 HydrophobicContact CD2-CG1 4.13Å; L72-I104 HydrophobicContact CD2-CG2 3.89Å; L72-I104 HydrophobicContact CG-CD1 3.97Å; L72-I104 HydrophobicContact CG-CG1 4.15Å; L72-I104 HydrophobicContact CG-CG2 3.95Å; L72-L129 HydrophobicContact CD1-CB 4.44Å; L72-L129 WeakPolarHBondContact CD1-O 3.47Å; L72-I130 HydrophobicContact CD2-CG2 4.31Å; L72-I133 HydrophobicContact CB-CD1 3.29Å; L72-I133 HydrophobicContact CD1-CD1 3.45Å; L72-I133 VanDerWaalsContact CD1-CD1 3.45Å; L72-I133 HydrophobicContact CG-CD1 3.97Å; L72-F136 HydrophobicContact CB-CD2 4.49Å; L72-F136 HydrophobicContact CB-CE2 4.1Å; L72-F136 HydrophobicContact CD2-CE2 3.74Å; L72-F136 HydrophobicContact CD2-CZ 3.93Å; L72-F136 WeakPolarHBondContact O-CE2 3.46Å
73K93.6Very high89.7Confident3 Ų324 Ų241%0.01313%0.13CC..Hα-helixtrans-65.8-37.1174-75.6-64.8-61.3-179.20112.3N41 A42 Y43 Q69 I70 L71 L75 T76 N77 I133N41-K73 PolarHBondContact OD1-NZ 3.14Å; N41-K73 VanDerWaalsContact OD1-NZ 3.11Å; A42-K73 WeakPolarHBondContact O-CE 3.48Å; A42-K73 PolarHBondContact O-NZ 3.05Å; Y43-K73 HydrophobicContact CD2-CB 4.11Å; Y43-K73 HydrophobicContact CE2-CB 4.08Å; Q69-K73 VanDerWaalsContact O-CB 3.27Å; Q69-K73 WeakPolarHBondContact O-CB 3.49Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.34Å; Q69-K73 PolarHBondContact O-N 3.35Å; I70-K73 PolarHBondContact O-N 2.96Å; L71-K73 PolarHBondContact O-N 3.11Å; K73-L75 VanDerWaalsContact C-N 3.31Å; K73-L75 PolarHBondContact O-N 2.64Å; K73-T76 PolarHBondContact O-N 2.89Å; K73-T76 VanDerWaalsContact O-N 3.11Å; K73-T76 PolarHBondContact O-OG1 3Å; K73-N77 PolarHBondContact O-N 3.18Å; K73-I133 HydrophobicContact CD-CG2 3.89Å
74A92.9Very high89.5Confident0 Ų021.4 Ų21.40%012%0.121CC..Hα-helixtrans-62.8-37.5172.800000111.8I70 L71 T76 N77 D82 F83I70-A74 WeakPolarHBondContact O-CB 3.09Å; I70-A74 PolarHBondContact O-N 3.03Å; L71-A74 WeakPolarHBondContact O-CB 3.27Å; L71-A74 PolarHBondContact O-N 2.96Å; A74-T76 VanDerWaalsContact C-N 3.29Å; A74-T76 PolarHBondContact O-N 2.98Å; A74-N77 PolarHBondContact O-N 3.01Å; A74-D82 HydrophobicContact CB-CB 4.26Å; A74-F83 HydrophobicContact CB-CB 4.21Å; A74-F83 HydrophobicContact CB-CD2 4.3Å
75L91.3Very high89.2Confident2 Ų220.3 Ų20.31%0.0111%0.114CC..Hα-helixtrans-62-34.7171.9-68.7176.9000112.9L71 L72 K73 N77 L78 F83 I104 G108 L111 F136L71-L75 PolarHBondContact O-N 3.36Å; L72-L75 HydrophobicContact CD2-CD1 4.44Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.92Å; K73-L75 VanDerWaalsContact C-N 3.31Å; K73-L75 PolarHBondContact O-N 2.64Å; L75-N77 PolarHBondContact O-N 3.28Å; L75-L78 HydrophobicContact CD2-CD1 4.16Å; L75-L78 PolarHBondContact O-N 3.46Å; L75-F83 HydrophobicContact CD1-CE2 4.08Å; L75-F83 HydrophobicContact CD2-CB 4.28Å; L75-F83 HydrophobicContact CD2-CD1 3.94Å; L75-F83 HydrophobicContact CD2-CD2 3.35Å; L75-F83 HydrophobicContact CD2-CE1 4.06Å; L75-F83 HydrophobicContact CD2-CE2 3.48Å; L75-F83 VanDerWaalsContact CD2-CE2 3.48Å; L75-F83 HydrophobicContact CD2-CG 3.58Å; L75-F83 HydrophobicContact CD2-CZ 3.83Å; L75-F83 HydrophobicContact CG-CD2 3.59Å; L75-F83 HydrophobicContact CG-CE2 3.61Å; L75-F83 HydrophobicContact CG-CG 4.3Å; L75-F83 HydrophobicContact CG-CZ 4.35Å; L75-I104 HydrophobicContact CD1-CG2 4.19Å; L75-G108 VanDerWaalsContact CD2-CA 3.47Å; L75-L111 HydrophobicContact CD2-CD1 4.36Å; L75-F136 HydrophobicContact CB-CE2 4.35Å
76T90.3Very high89.1Confident17 Ų1715.7 Ų15.710%0.1049%0.086CC..THydrogen-bonded Turntrans-68.3-12.4175.3680000113.9L72 K73 A74 F136L72-T76 WeakPolarHBondContact O-CG2 3.41Å; L72-T76 PolarHBondContact O-N 2.93Å; L72-T76 VanDerWaalsContact O-N 3.15Å; K73-T76 PolarHBondContact O-N 2.89Å; K73-T76 VanDerWaalsContact O-N 3.11Å; K73-T76 PolarHBondContact O-OG1 3Å; A74-T76 VanDerWaalsContact C-N 3.29Å; A74-T76 PolarHBondContact O-N 2.98Å; T76-F136 HydrophobicContact CG2-CB 4.4Å; T76-F136 HydrophobicContact CG2-CD2 3.39Å; T76-F136 HydrophobicContact CG2-CE2 3.95Å; T76-F136 HydrophobicContact CG2-CG 4.18Å
77N88.2Confident88.8Confident50 Ų5018.6 Ų18.627%0.26710%0.098SC..THydrogen-bonded Turntrans-103.57.5-179.7-15044.4000113.4Y43 K73 A74 L75 H80 D82Y43-N77 HydrophobicContact CD1-CB 4.45Å; Y43-N77 HydrophobicContact CE1-CB 4.04Å; Y43-N77 VanDerWaalsContact CE1-ND2 3.27Å; Y43-N77 WeakPolarHBondContact CE1-ND2 3.12Å; K73-N77 PolarHBondContact O-N 3.18Å; A74-N77 PolarHBondContact O-N 3.01Å; L75-N77 PolarHBondContact O-N 3.28Å; N77-H80 WeakPolarHBondContact O-CB 3.39Å; N77-H80 PolarHBondContact O-CD2 3.36Å; N77-H80 VanDerWaalsContact O-CD2 3.26Å; N77-H80 PolarHBondContact O-N 3.01Å; N77-H80 VanDerWaalsContact O-N 3.17Å; N77-D82 PolarHBondContact ND2-OD2 3.04Å
78L81.3Confident88.5Confident14 Ų1422.8 Ų22.87%0.07313%0.126CC..THydrogen-bonded Turntrans-55.4140.3169.2-74173.5000110.2L75 L111 F143L75-L78 HydrophobicContact CD2-CD1 4.16Å; L75-L78 PolarHBondContact O-N 3.46Å; L78-L111 HydrophobicContact CD1-CB 3.89Å; L78-L111 HydrophobicContact CD1-CD1 4.07Å; L78-F143 HydrophobicContact CB-CB 4.32Å; L78-F143 HydrophobicContact CB-CD1 4.2Å; L78-F143 HydrophobicContact CB-CD2 3.64Å; L78-F143 HydrophobicContact CB-CE1 4.45Å; L78-F143 HydrophobicContact CB-CE2 3.95Å; L78-F143 HydrophobicContact CB-CG 3.78Å; L78-F143 HydrophobicContact CB-CZ 4.34Å; L78-F143 HydrophobicContact CD1-CD1 4.17Å; L78-F143 HydrophobicContact CD1-CE1 4.03Å; L78-F143 HydrophobicContact CD1-CZ 4.33Å
79P76.7Confident88.2Confident29 Ų2922.8 Ų22.819%0.18813%0.125CC..THydrogen-bonded Turncis-89.810.62036.1-38.4000116.4F143 I203 E205P79-F143 HydrophobicContact CB-CD2 4.2Å; P79-F143 HydrophobicContact CB-CE2 3.91Å; P79-I203 WeakPolarHBondContact CB-O 3.42Å; P79-E205 PolarHBondContact O-N 3.09Å; P79-E205 VanDerWaalsContact O-N 3.11Å
80H81.2Confident87.9Confident73 Ų7321.7 Ų21.734%0.33812%0.12SC..SBendtrans-66.2156.4-179.6-65.9-61.2000113N77 D82 E205N77-H80 WeakPolarHBondContact O-CB 3.39Å; N77-H80 PolarHBondContact O-CD2 3.36Å; N77-H80 VanDerWaalsContact O-CD2 3.26Å; N77-H80 PolarHBondContact O-N 3.01Å; N77-H80 VanDerWaalsContact O-N 3.17Å; H80-D82 PolarHBondContact O-N 3.04Å; H80-D82 VanDerWaalsContact O-N 3.17Å; H80-E205 IonicContact CE1-OE1 3.67Å; H80-E205 PolarHBondContact CE1-OE1 3.41Å; H80-E205 IonicContact CE1-OE2 2.72Å; H80-E205 IonicContact CG-OE2 3.31Å; H80-E205 IonicContact ND1-OE1 3.18Å; H80-E205 PolarHBondContact ND1-OE1 3.47Å; H80-E205 IonicContact ND1-OE2 3.92Å; H80-E205 PolarHBondContact ND1-OE2 3.45Å
81T81.1Confident87.5Confident15 Ų1524.6 Ų24.69%0.09214%0.135CC..THydrogen-bonded Turntrans-74.4-0.2-175.763.20000115.3F83 T84 L85 E205 I207T81-F83 VanDerWaalsContact C-N 3.27Å; T81-F83 PolarHBondContact O-N 2.96Å; T81-T84 PolarHBondContact O-N 3.08Å; T81-L85 PolarHBondContact O-N 2.81Å; T81-E205 HydrophobicContact CG2-CB 3.54Å; T81-E205 WeakPolarHBondContact CG2-O 3.3Å; T81-I207 VanDerWaalsContact CB-CG1 3.43Å; T81-I207 HydrophobicContact CG2-CD1 4.42Å; T81-I207 HydrophobicContact CG2-CG1 3.46Å; T81-I207 VanDerWaalsContact CG2-CG1 3.46Å
82D86.1Confident86.9Confident13 Ų1330.9 Ų30.97%0.0717%0.165CC..Hα-helixtrans-52-41.4-173.9-62.912.4000113.8Y43 L45 A74 N77 H80 T84 L85 C86Y43-D82 WeakPolarHBondContact CE1-OD2 3.39Å; Y43-D82 VanDerWaalsContact CZ-OD2 3.26Å; Y43-D82 VanDerWaalsContact OH-CB 3.27Å; Y43-D82 WeakPolarHBondContact OH-CB 3.18Å; Y43-D82 PolarHBondContact OH-OD2 3.28Å; L45-D82 HydrophobicContact CD1-CB 3.92Å; L45-D82 HydrophobicContact CD2-CB 4.42Å; L45-D82 WeakPolarHBondContact CD2-OD1 3.33Å; A74-D82 HydrophobicContact CB-CB 4.26Å; N77-D82 PolarHBondContact ND2-OD2 3.04Å; H80-D82 PolarHBondContact O-N 3.04Å; H80-D82 VanDerWaalsContact O-N 3.17Å; D82-T84 PolarHBondContact O-N 3.2Å; D82-L85 PolarHBondContact O-N 3.46Å; D82-C86 WeakPolarHBondContact O-CB 3.45Å; D82-C86 PolarHBondContact O-N 3.02Å; D82-C86 PolarHBondContact O-SG 3.2Å
83F88.1Confident86.5Confident1 Ų134.6 Ų34.60%0.00419%0.188CC..Hα-helixtrans-63.5-43.7-179.5-178.8-107.4000111.5L71 A74 L75 T81 C86 K87 L105L71-F83 HydrophobicContact CB-CE2 4.39Å; L71-F83 HydrophobicContact CD2-CD2 4.38Å; L71-F83 HydrophobicContact CD2-CE2 4.08Å; A74-F83 HydrophobicContact CB-CB 4.21Å; A74-F83 HydrophobicContact CB-CD2 4.3Å; L75-F83 HydrophobicContact CD1-CE2 4.08Å; L75-F83 HydrophobicContact CD2-CB 4.28Å; L75-F83 HydrophobicContact CD2-CD1 3.94Å; L75-F83 HydrophobicContact CD2-CD2 3.35Å; L75-F83 HydrophobicContact CD2-CE1 4.06Å; L75-F83 HydrophobicContact CD2-CE2 3.48Å; L75-F83 VanDerWaalsContact CD2-CE2 3.48Å; L75-F83 HydrophobicContact CD2-CG 3.58Å; L75-F83 HydrophobicContact CD2-CZ 3.83Å; L75-F83 HydrophobicContact CG-CD2 3.59Å; L75-F83 HydrophobicContact CG-CE2 3.61Å; L75-F83 HydrophobicContact CG-CG 4.3Å; L75-F83 HydrophobicContact CG-CZ 4.35Å; T81-F83 VanDerWaalsContact C-N 3.27Å; T81-F83 PolarHBondContact O-N 2.96Å; F83-C86 PolarHBondContact O-N 3.38Å; F83-K87 WeakPolarHBondContact O-CB 3.27Å; F83-K87 PolarHBondContact O-N 3.48Å; F83-L105 HydrophobicContact CZ-CD2 3.95Å
84T86.9Confident86Confident44 Ų4436.3 Ų36.327%0.2720%0.196SC..Hα-helixtrans-68-38.8177.1-46.10000111.2T81 D82 K87 C88 E112 I207T81-T84 PolarHBondContact O-N 3.08Å; D82-T84 PolarHBondContact O-N 3.2Å; T84-K87 WeakPolarHBondContact O-CB 3.38Å; T84-K87 PolarHBondContact O-N 3.04Å; T84-C88 PolarHBondContact O-N 3.05Å; T84-C88 PolarHBondContact O-SG 3.45Å; T84-C88 VanDerWaalsContact O-SG 3.33Å; T84-E112 PolarHBondContact OG1-OE1 3.27Å; T84-I207 HydrophobicContact CG2-CD1 3.43Å; T84-I207 VanDerWaalsContact CG2-CD1 3.43Å
85L86.8Confident85.4Confident15 Ų1538.1 Ų38.18%0.07920%0.204CC..Hα-helixtrans-61.4-47.1174.3-66.9178.2000111.7L49 T81 D82 K87 C88 M89 I207 I215L49-L85 HydrophobicContact CD2-CB 4.3Å; T81-L85 PolarHBondContact O-N 2.81Å; D82-L85 PolarHBondContact O-N 3.46Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.39Å; L85-C88 PolarHBondContact O-N 2.79Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.36Å; L85-I207 HydrophobicContact CD2-CD1 4.16Å; L85-I207 HydrophobicContact CG-CD1 4.44Å; L85-I215 HydrophobicContact CB-CD1 4.4Å; L85-I215 HydrophobicContact CD1-CD1 3.83Å; L85-I215 HydrophobicContact CD2-CD1 3.72Å; L85-I215 HydrophobicContact CG-CD1 4.19Å
86C89.7Confident84.8Confident0 Ų043.2 Ų43.20%023%0.228CC..Hα-helixtrans-61.3-42176.4-66.70000111.4L52 I70 L71 D82 F83 C88 M89L52-C86 HydrophobicContact CD1-CB 3.76Å; I70-C86 HydrophobicContact CG2-CB 4.47Å; L71-C86 HydrophobicContact CD2-CB 3.95Å; D82-C86 WeakPolarHBondContact O-CB 3.45Å; D82-C86 PolarHBondContact O-N 3.02Å; D82-C86 PolarHBondContact O-SG 3.2Å; F83-C86 PolarHBondContact O-N 3.38Å; C86-C88 VanDerWaalsContact C-N 3.32Å; C86-C88 PolarHBondContact O-N 2.93Å; C86-M89 PolarHBondContact O-N 3.5Å; C86-M89 VanDerWaalsContact O-N 3.12Å
87K87.8Confident84.2Confident69 Ų6949.8 Ų49.830%0.326%0.257SS..Hα-helixtrans-58.4-42.8175-176.7-178.9179.5-178.20111.7F83 T84 L85 M89 I90 Q95 L105F83-K87 WeakPolarHBondContact O-CB 3.27Å; F83-K87 PolarHBondContact O-N 3.48Å; T84-K87 WeakPolarHBondContact O-CB 3.38Å; T84-K87 PolarHBondContact O-N 3.04Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.39Å; K87-M89 PolarHBondContact O-N 3.21Å; K87-I90 PolarHBondContact O-N 3.35Å; K87-Q95 PolarHBondContact O-NE2 3.13Å; K87-L105 HydrophobicContact CB-CD2 4.4Å; K87-L105 HydrophobicContact CD-CD2 4.18Å; K87-L105 HydrophobicContact CG-CD2 3.98Å
88C87.7Confident83.9Confident87 Ų8749.6 Ų49.659%0.58826%0.255SS*.Hα-helixtrans-64.9-21.2177.9-70.70000114.2T84 L85 C86T84-C88 PolarHBondContact O-N 3.05Å; T84-C88 PolarHBondContact O-SG 3.45Å; T84-C88 VanDerWaalsContact O-SG 3.33Å; L85-C88 PolarHBondContact O-N 2.79Å; C86-C88 VanDerWaalsContact C-N 3.32Å; C86-C88 PolarHBondContact O-N 2.93Å
89M86.4Confident83.8Confident10 Ų1058.2 Ų58.25%0.04929%0.286CS..THydrogen-bonded Turntrans-87.6-6.6179.5-65-56.4-68.600114L49 L52 K53 L85 C86 K87 I215L49-M89 HydrophobicContact CD2-CG 4.07Å; L52-M89 HydrophobicContact CB-CB 3.81Å; L52-M89 HydrophobicContact CD1-CB 4.07Å; K53-M89 HydrophobicContact CB-CE 3.61Å; K53-M89 HydrophobicContact CD-CE 4.02Å; K53-M89 HydrophobicContact CG-CE 3.79Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.36Å; C86-M89 PolarHBondContact O-N 3.5Å; C86-M89 VanDerWaalsContact O-N 3.12Å; K87-M89 PolarHBondContact O-N 3.21Å; M89-I215 HydrophobicContact CE-CG2 4.27Å; M89-I215 HydrophobicContact CG-CG2 4.38Å; M89-I215 HydrophobicContact SD-CG2 3.49Å; M89-I215 WeakPolarHBondContact SD-CG2 3.38Å
90I88.2Confident84.3Confident10 Ų1058.2 Ų58.25%0.05129%0.287CS..SBendtrans-103.2127.8-179.9-59.2166.8000108.8L52 T67 L71 K87 H94 Q95L52-I90 HydrophobicContact CD1-CG1 4.44Å; L52-I90 HydrophobicContact CD2-CD1 4.41Å; L52-I90 HydrophobicContact CD2-CG1 4.12Å; T67-I90 HydrophobicContact CG2-CD1 3.56Å; T67-I90 HydrophobicContact CG2-CG1 4.12Å; L71-I90 HydrophobicContact CD1-CD1 3.74Å; L71-I90 HydrophobicContact CD2-CD1 3.81Å; L71-I90 HydrophobicContact CG-CD1 3.94Å; K87-I90 PolarHBondContact O-N 3.35Å; I90-H94 HydrophobicContact CG2-CB 3.87Å; I90-Q95 HydrophobicContact CB-CG 4.19Å; I90-Q95 HydrophobicContact CG2-CG 3.81Å; I90-Q95 PolarHBondContact O-NE2 3.19Å
91D85.5Confident84.8Confident62 Ų6254.8 Ų54.833%0.33227%0.271SS..  trans-61.7146.4178.8-66.3-30.5000112.5T93 H94 Q95D91-T93 PolarHBondContact O-N 3.26Å; D91-T93 VanDerWaalsContact O-N 3.16Å; D91-H94 PolarHBondContact O-N 3.07Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.44Å; D91-Q95 VanDerWaalsContact O-N 3.09Å
92Q82.4Confident85.2Confident132 Ų13261.2 Ų61.262%0.61729%0.293SS*.Hα-helixtrans-58.8-32.7-174.3-168.6170.57.700113.5Q95 Q96Q92-Q95 PolarHBondContact O-N 2.8Å; Q92-Q96 HydrophobicContact CG-CG 4.4Å; Q92-Q96 VanDerWaalsContact NE2-NE2 3.19Å; Q92-Q96 WeakPolarHBondContact O-CG 3.4Å; Q92-Q96 PolarHBondContact O-N 3.2Å; Q92-Q96 VanDerWaalsContact O-N 3.1Å
93T84.1Confident85.4Confident81 Ų8162.2 Ų62.250%0.49730%0.298SS..Hα-helixtrans-59.9-51.6174.8-52.20000111D91 Q95 Q96 E97D91-T93 PolarHBondContact O-N 3.26Å; D91-T93 VanDerWaalsContact O-N 3.16Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 3.49Å; T93-Q96 PolarHBondContact O-N 3.05Å; T93-E97 HydrophobicContact CG2-CG 4.41Å; T93-E97 WeakPolarHBondContact O-CB 3.43Å; T93-E97 PolarHBondContact O-N 3.36Å
94H82.6Confident85.6Confident38 Ų3862.2 Ų62.218%0.17630%0.297CS..Hα-helixtrans-63.7-34.1177.8-59.7113000111.8F62 I90 D91 Q96 E98F62-H94 AromaticContact CE1-CD2 3.98Å; F62-H94 HydrophobicContact CE2-CB 4.31Å; F62-H94 HydrophobicContact CZ-CB 4.02Å; F62-H94 AromaticContact CZ-CG 3.97Å; I90-H94 HydrophobicContact CG2-CB 3.87Å; D91-H94 PolarHBondContact O-N 3.07Å; H94-Q96 PolarHBondContact O-N 2.82Å; H94-E98 IonicContact CD2-OE1 3.32Å; H94-E98 PolarHBondContact CD2-OE1 2.8Å; H94-E98 VanDerWaalsContact CD2-OE1 3.32Å; H94-E98 WeakPolarHBondContact O-CB 3.44Å; H94-E98 PolarHBondContact O-N 2.74Å
95Q81.4Confident85.9Confident38 Ų3861.1 Ų61.118%0.17829%0.29CS..Hα-helixtrans-66.1-34176.3-63.9-174.57.500113.9K87 I90 D91 Q92 T93 L105K87-Q95 PolarHBondContact O-NE2 3.13Å; I90-Q95 HydrophobicContact CB-CG 4.19Å; I90-Q95 HydrophobicContact CG2-CG 3.81Å; I90-Q95 PolarHBondContact O-NE2 3.19Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.44Å; D91-Q95 VanDerWaalsContact O-N 3.09Å; Q92-Q95 PolarHBondContact O-N 2.8Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 3.49Å; Q95-L105 HydrophobicContact CB-CD1 3.71Å; Q95-L105 HydrophobicContact CG-CD1 3.85Å
96Q77.6Confident86.1Confident110 Ų11066.4 Ų66.451%0.51431%0.31SS..Hα-helixtrans-97.4-35.8-171.6-68.4-175.7-0.600113.2Q92 T93 H94Q92-Q96 HydrophobicContact CG-CG 4.4Å; Q92-Q96 VanDerWaalsContact NE2-NE2 3.19Å; Q92-Q96 WeakPolarHBondContact O-CG 3.4Å; Q92-Q96 PolarHBondContact O-N 3.2Å; Q92-Q96 VanDerWaalsContact O-N 3.1Å; T93-Q96 PolarHBondContact O-N 3.05Å; H94-Q96 PolarHBondContact O-N 2.82Å
97E78.9Confident86.2Confident154 Ų15466.5 Ų66.572%0.7231%0.31SS*.Hα-helixtrans-97.2-30.3-170.3-60.8-175179.800112.5T93T93-E97 HydrophobicContact CG2-CG 4.41Å; T93-E97 WeakPolarHBondContact O-CB 3.43Å; T93-E97 PolarHBondContact O-N 3.36Å
98E81Confident86.4Confident46 Ų4663.2 Ų63.222%0.21530%0.296CS..  trans-86120.2-177.1-65.4-159.9178.700113.5F62 T64 H94 I101 R102F62-E98 VanDerWaalsContact CE1-OE2 3.25Å; F62-E98 WeakPolarHBondContact CE1-OE2 3.36Å; T64-E98 WeakPolarHBondContact CB-OE2 3.28Å; T64-E98 VanDerWaalsContact CG2-OE2 3.3Å; T64-E98 WeakPolarHBondContact CG2-OE2 3.18Å; T64-E98 PolarHBondContact OG1-OE2 3.24Å; H94-E98 IonicContact CD2-OE1 3.32Å; H94-E98 PolarHBondContact CD2-OE1 2.8Å; H94-E98 VanDerWaalsContact CD2-OE1 3.32Å; H94-E98 WeakPolarHBondContact O-CB 3.44Å; H94-E98 PolarHBondContact O-N 2.74Å; E98-I101 HydrophobicContact CB-CB 4.46Å; E98-I101 HydrophobicContact CB-CD1 4.2Å; E98-I101 HydrophobicContact CB-CG1 4.49Å; E98-I101 PolarHBondContact O-N 3.07Å; E98-I101 VanDerWaalsContact O-N 3.16Å; E98-I101 WeakPolarHBondContact OE2-CD1 3.48Å; E98-R102 PolarHBondContact O-N 3.07Å; E98-R102 VanDerWaalsContact O-N 3.08Å
99R78.9Confident86.6Confident195 Ų19562.7 Ų62.774%0.73629%0.287SS*.THydrogen-bonded Turntrans-85.9125.9157-63.6-170.9176.2-148.72.7107.3
100P88.8Confident86.9Confident30 Ų3062.8 Ų62.820%0.19529%0.288CS..THydrogen-bonded Turncis-105.63.422.334.2-24.6000116.2T64 R102 Q103 I104 L129T64-P100 VanDerWaalsContact CG2-CD 3.42Å; P100-R102 VanDerWaalsContact C-N 3.29Å; P100-R102 PolarHBondContact O-N 2.91Å; P100-Q103 WeakPolarHBondContact O-CB 3.3Å; P100-Q103 PolarHBondContact O-N 3.26Å; P100-Q103 PolarHBondContact O-OE1 3.17Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.94Å; P100-I104 VanDerWaalsContact O-N 3.14Å; P100-L129 HydrophobicContact CB-CD1 4.4Å; P100-L129 HydrophobicContact CB-CD2 3.24Å; P100-L129 HydrophobicContact CB-CG 4.45Å; P100-L129 HydrophobicContact CG-CD2 3.91Å
101I89.8Confident87Confident0 Ų062.4 Ų62.40%029%0.286CS..Hα-helixtrans-55.8-45.2-175.5-65.1176.4000111F62 T64 T67 L71 E98 Q103 I104 L105F62-I101 HydrophobicContact CE1-CD1 4.04Å; F62-I101 HydrophobicContact CZ-CD1 3.64Å; T64-I101 HydrophobicContact CG2-CD1 4.26Å; T64-I101 HydrophobicContact CG2-CG1 4.23Å; T67-I101 HydrophobicContact CG2-CD1 3.84Å; T67-I101 HydrophobicContact CG2-CG1 4.42Å; L71-I101 HydrophobicContact CD1-CG2 3.93Å; E98-I101 HydrophobicContact CB-CB 4.46Å; E98-I101 HydrophobicContact CB-CD1 4.2Å; E98-I101 HydrophobicContact CB-CG1 4.49Å; E98-I101 PolarHBondContact O-N 3.07Å; E98-I101 VanDerWaalsContact O-N 3.16Å; E98-I101 WeakPolarHBondContact OE2-CD1 3.48Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 3.09Å; I101-I104 PolarHBondContact O-N 3.48Å; I101-I104 VanDerWaalsContact O-N 3.16Å; I101-L105 HydrophobicContact CG2-CD1 4.05Å; I101-L105 HydrophobicContact CG2-CG 4.3Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.3Å
102R90.7Very high87.1Confident150 Ų15062.1 Ų62.157%0.56628%0.283SS*.Hα-helixtrans-57.3-41178.1-178.4177.2167.5-175.3-3.1113E98 P100 L105 Y106E98-R102 PolarHBondContact O-N 3.07Å; E98-R102 VanDerWaalsContact O-N 3.08Å; P100-R102 VanDerWaalsContact C-N 3.29Å; P100-R102 PolarHBondContact O-N 2.91Å; R102-L105 PolarHBondContact O-N 3.13Å; R102-Y106 PolarHBondContact O-N 3.27Å
103Q90.7Very high87.3Confident35 Ų3559 Ų5916%0.16427%0.273CS..Hα-helixtrans-66.7-41.2178.4-70.590.8-37.100111.2P100 I101 L105 Y106 L107 L129P100-Q103 WeakPolarHBondContact O-CB 3.3Å; P100-Q103 PolarHBondContact O-N 3.26Å; P100-Q103 PolarHBondContact O-OE1 3.17Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 3.09Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 2.86Å; Q103-Y106 WeakPolarHBondContact O-CB 3.33Å; Q103-Y106 PolarHBondContact O-N 3.49Å; Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 3.44Å; Q103-L129 HydrophobicContact CB-CD1 3.96Å
104I92.4Very high87.6Confident0 Ų057.3 Ų57.30%026%0.263CS..Hα-helixtrans-64.3-41177.3-60.6165.8000110.5S68 L71 L72 L75 P100 I101 Y106 L107 G108 L129S68-I104 VanDerWaalsContact CB-CD1 3.46Å; L71-I104 HydrophobicContact CB-CG2 3.68Å; L71-I104 HydrophobicContact CD1-CG2 4.36Å; L72-I104 HydrophobicContact CD1-CD1 3.93Å; L72-I104 HydrophobicContact CD1-CG1 4.37Å; L72-I104 HydrophobicContact CD2-CD1 4.49Å; L72-I104 HydrophobicContact CD2-CG1 4.13Å; L72-I104 HydrophobicContact CD2-CG2 3.89Å; L72-I104 HydrophobicContact CG-CD1 3.97Å; L72-I104 HydrophobicContact CG-CG1 4.15Å; L72-I104 HydrophobicContact CG-CG2 3.95Å; L75-I104 HydrophobicContact CD1-CG2 4.19Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.94Å; P100-I104 VanDerWaalsContact O-N 3.14Å; I101-I104 PolarHBondContact O-N 3.48Å; I101-I104 VanDerWaalsContact O-N 3.16Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.3Å; I104-L107 PolarHBondContact O-N 3.22Å; I104-G108 PolarHBondContact O-N 3.25Å; I104-L129 HydrophobicContact CG1-CD1 4.06Å
105L91.8Very high88Confident21 Ų2160.4 Ų60.411%0.1128%0.278CS..Hα-helixtrans-62.5-37.5174.8-67.8178000112.5L71 F83 K87 Q95 I101 R102 Q103 N109L71-L105 HydrophobicContact CD1-CD2 4.32Å; L71-L105 HydrophobicContact CD2-CD2 4.4Å; F83-L105 HydrophobicContact CZ-CD2 3.95Å; K87-L105 HydrophobicContact CB-CD2 4.4Å; K87-L105 HydrophobicContact CD-CD2 4.18Å; K87-L105 HydrophobicContact CG-CD2 3.98Å; Q95-L105 HydrophobicContact CB-CD1 3.71Å; Q95-L105 HydrophobicContact CG-CD1 3.85Å; I101-L105 HydrophobicContact CG2-CD1 4.05Å; I101-L105 HydrophobicContact CG2-CG 4.3Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.3Å; R102-L105 PolarHBondContact O-N 3.13Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 2.86Å; L105-N109 PolarHBondContact O-N 2.98Å
106Y92.2Very high88.6Confident127 Ų12759.1 Ų59.150%0.49827%0.272SS..Hα-helixtrans-66.3-46.9174.3177.8-110.8000112R102 Q103 I104 G108 N109 L110R102-Y106 PolarHBondContact O-N 3.27Å; Q103-Y106 WeakPolarHBondContact O-CB 3.33Å; Q103-Y106 PolarHBondContact O-N 3.49Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.3Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.86Å; Y106-N109 WeakPolarHBondContact O-CB 3.41Å; Y106-N109 PolarHBondContact O-N 2.86Å; Y106-N109 VanDerWaalsContact O-N 3.16Å; Y106-L110 HydrophobicContact CD1-CD1 4.19Å; Y106-L110 HydrophobicContact CE1-CD1 3.66Å; Y106-L110 HydrophobicContact CE1-CG 4.33Å; Y106-L110 HydrophobicContact CE2-CD2 4.42Å; Y106-L110 HydrophobicContact CE2-CG 4.45Å; Y106-L110 PolarHBondContact O-N 3.06Å; Y106-L110 VanDerWaalsContact O-N 3.09Å
107L92.4Very high89.3Confident1 Ų158.2 Ų58.21%0.00527%0.267CS..Hα-helixtrans-57.7-42.7174.7-70.6174.9000111.7Q103 I104 N109 L110 L111 F119 L123Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 3.44Å; I104-L107 PolarHBondContact O-N 3.22Å; L107-N109 PolarHBondContact O-N 3.39Å; L107-L110 PolarHBondContact O-N 3.11Å; L107-L111 PolarHBondContact O-N 3.15Å; L107-L111 VanDerWaalsContact O-N 3.16Å; L107-F119 HydrophobicContact CB-CD2 4.17Å; L107-F119 HydrophobicContact CB-CE2 4.01Å; L107-F119 HydrophobicContact CD2-CD2 3.98Å; L107-F119 HydrophobicContact CD2-CE2 4.19Å; L107-L123 HydrophobicContact CD1-CD1 4.18Å
108G91.3Very high89.9Confident0 Ų053.6 Ų53.60%025%0.252CS..Hα-helixtrans-61.6-41.4175.700000113.4L75 I104 Y106 L110 L111 E112L75-G108 VanDerWaalsContact CD2-CA 3.47Å; I104-G108 PolarHBondContact O-N 3.25Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.86Å; G108-L110 VanDerWaalsContact C-N 3.33Å; G108-L110 PolarHBondContact O-N 3.46Å; G108-L111 PolarHBondContact O-N 3.35Å; G108-E112 WeakPolarHBondContact O-CG 3.49Å; G108-E112 PolarHBondContact O-N 3.23Å
109N91.2Very high90.6Very high76 Ų7651.4 Ų51.441%0.40624%0.242SC..Hα-helixtrans-61.6-40.9175.4-172.4-31.9000111.8L105 Y106 L107 L111 E112 T113L105-N109 PolarHBondContact O-N 2.98Å; Y106-N109 WeakPolarHBondContact O-CB 3.41Å; Y106-N109 PolarHBondContact O-N 2.86Å; Y106-N109 VanDerWaalsContact O-N 3.16Å; L107-N109 PolarHBondContact O-N 3.39Å; N109-L111 VanDerWaalsContact C-N 3.3Å; N109-L111 PolarHBondContact O-N 2.94Å; N109-E112 PolarHBondContact O-N 3.01Å; N109-T113 WeakPolarHBondContact O-CB 3.5Å; N109-T113 WeakPolarHBondContact O-CG2 3.43Å; N109-T113 PolarHBondContact O-N 3.31Å; N109-T113 PolarHBondContact O-OG1 3.34Å; N109-T113 WeakPolarHBondContact OD1-CG2 3.29Å
110L92.8Very high91.3Very high13 Ų1343.4 Ų43.47%0.06821%0.212CC..Hα-helixtrans-61.1-39175.6-65.8174.4000111.9Y106 L107 G108 T113 C114 H115 F119Y106-L110 HydrophobicContact CD1-CD1 4.19Å; Y106-L110 HydrophobicContact CE1-CD1 3.66Å; Y106-L110 HydrophobicContact CE1-CG 4.33Å; Y106-L110 HydrophobicContact CE2-CD2 4.42Å; Y106-L110 HydrophobicContact CE2-CG 4.45Å; Y106-L110 PolarHBondContact O-N 3.06Å; Y106-L110 VanDerWaalsContact O-N 3.09Å; L107-L110 PolarHBondContact O-N 3.11Å; G108-L110 VanDerWaalsContact C-N 3.33Å; G108-L110 PolarHBondContact O-N 3.46Å; L110-T113 PolarHBondContact O-OG1 3.5Å; L110-C114 PolarHBondContact O-N 2.9Å; L110-C114 VanDerWaalsContact O-N 3.08Å; L110-H115 HydrophobicContact CB-CB 4.44Å; L110-H115 HydrophobicContact CD2-CB 3.88Å; L110-H115 PolarHBondContact O-N 3.46Å; L110-F119 HydrophobicContact CB-CB 4.01Å; L110-F119 HydrophobicContact CD1-CB 4.37Å
111L90.8Very high91.5Very high1 Ų145.8 Ų45.81%0.00523%0.226CC..Hα-helixtrans-69-44.6174.7-68.8-179.2000112.5L75 L78 L107 G108 N109 T113 C114 F116 F119 V140 F143L75-L111 HydrophobicContact CD2-CD1 4.36Å; L78-L111 HydrophobicContact CD1-CB 3.89Å; L78-L111 HydrophobicContact CD1-CD1 4.07Å; L107-L111 PolarHBondContact O-N 3.15Å; L107-L111 VanDerWaalsContact O-N 3.16Å; G108-L111 PolarHBondContact O-N 3.35Å; N109-L111 VanDerWaalsContact C-N 3.3Å; N109-L111 PolarHBondContact O-N 2.94Å; L111-T113 VanDerWaalsContact C-N 3.27Å; L111-T113 PolarHBondContact O-N 3.35Å; L111-C114 PolarHBondContact O-N 2.94Å; L111-C114 VanDerWaalsContact O-N 3.12Å; L111-F116 HydrophobicContact CD2-CD1 4.07Å; L111-F116 HydrophobicContact CD2-CE1 4.31Å; L111-F119 HydrophobicContact CD1-CD2 4.03Å; L111-F119 HydrophobicContact CD1-CE2 3.55Å; L111-F119 HydrophobicContact CD1-CZ 3.93Å; L111-F119 HydrophobicContact CD2-CB 4.24Å; L111-F119 HydrophobicContact CD2-CD1 3.9Å; L111-F119 HydrophobicContact CD2-CD2 3.65Å; L111-F119 HydrophobicContact CD2-CE1 4.17Å; L111-F119 HydrophobicContact CD2-CE2 3.9Å; L111-F119 HydrophobicContact CD2-CG 3.64Å; L111-F119 HydrophobicContact CD2-CZ 4.15Å; L111-F119 HydrophobicContact CG-CD2 3.52Å; L111-F119 HydrophobicContact CG-CE2 3.61Å; L111-F119 HydrophobicContact CG-CG 4.06Å; L111-F119 HydrophobicContact CG-CZ 4.24Å; L111-V140 HydrophobicContact CD1-CG1 4.24Å; L111-V140 HydrophobicContact CD1-CG2 4.23Å; L111-V140 HydrophobicContact CD2-CG1 3.81Å; L111-F143 HydrophobicContact CB-CE1 4.31Å
112E87Confident91.7Very high57 Ų5746.6 Ų46.627%0.26623%0.232SC..Hα-helixtrans-61.1-36.7177-72.7176.7153.600112T84 G108 N109 C114T84-E112 PolarHBondContact OG1-OE1 3.27Å; G108-E112 WeakPolarHBondContact O-CG 3.49Å; G108-E112 PolarHBondContact O-N 3.23Å; N109-E112 PolarHBondContact O-N 3.01Å; E112-C114 VanDerWaalsContact C-N 3.33Å
113T88Confident91.7Very high66 Ų6639.6 Ų39.641%0.40521%0.205SC..THydrogen-bonded Turntrans-905.5177.858.30000113.8N109 L110 L111 H115N109-T113 WeakPolarHBondContact O-CB 3.5Å; N109-T113 WeakPolarHBondContact O-CG2 3.43Å; N109-T113 PolarHBondContact O-N 3.31Å; N109-T113 PolarHBondContact O-OG1 3.34Å; N109-T113 WeakPolarHBondContact OD1-CG2 3.29Å; L110-T113 PolarHBondContact O-OG1 3.5Å; L111-T113 VanDerWaalsContact C-N 3.27Å; L111-T113 PolarHBondContact O-N 3.35Å; T113-H115 VanDerWaalsContact CB-ND1 3.34Å; T113-H115 WeakPolarHBondContact CB-ND1 3.47Å; T113-H115 PolarHBondContact O-N 3.38Å; T113-H115 PolarHBondContact O-ND1 3.05Å; T113-H115 PolarHBondContact OG1-ND1 3.33Å
114C89.3Confident91.7Very high45 Ų4545 Ų4530%0.30423%0.23SC..THydrogen-bonded Turntrans59.425178.7-56.70000115.4L110 L111 E112 F116L110-C114 PolarHBondContact O-N 2.9Å; L110-C114 VanDerWaalsContact O-N 3.08Å; L111-C114 PolarHBondContact O-N 2.94Å; L111-C114 VanDerWaalsContact O-N 3.12Å; E112-C114 VanDerWaalsContact C-N 3.33Å; C114-F116 HydrophobicContact CB-CE1 4.26Å; C114-F116 HydrophobicContact CB-CE2 3.99Å; C114-F116 HydrophobicContact CB-CZ 3.73Å; C114-F116 PolarHBondContact O-N 3.38Å
115H92Very high91.5Very high104 Ų10452.1 Ų52.148%0.48126%0.264SS..  trans-82.165.8173.2-67.589.1000110.8L110 T113 Q117 S118 F119L110-H115 HydrophobicContact CB-CB 4.44Å; L110-H115 HydrophobicContact CD2-CB 3.88Å; L110-H115 PolarHBondContact O-N 3.46Å; T113-H115 VanDerWaalsContact CB-ND1 3.34Å; T113-H115 WeakPolarHBondContact CB-ND1 3.47Å; T113-H115 PolarHBondContact O-N 3.38Å; T113-H115 PolarHBondContact O-ND1 3.05Å; T113-H115 PolarHBondContact OG1-ND1 3.33Å; H115-Q117 PolarHBondContact O-N 3.26Å; H115-S118 PolarHBondContact O-N 3.12Å; H115-F119 PolarHBondContact O-N 3.08Å
116F92.8Very high91.4Very high11 Ų1152.6 Ų52.65%0.04827%0.267CS..Hα-helixtrans-65-39.9-170.3-56.1-49000114.2L111 C114 F119 W120 F143 I144 V147 M163L111-F116 HydrophobicContact CD2-CD1 4.07Å; L111-F116 HydrophobicContact CD2-CE1 4.31Å; C114-F116 HydrophobicContact CB-CE1 4.26Å; C114-F116 HydrophobicContact CB-CE2 3.99Å; C114-F116 HydrophobicContact CB-CZ 3.73Å; C114-F116 PolarHBondContact O-N 3.38Å; F116-F119 WeakPolarHBondContact O-CB 3.45Å; F116-F119 PolarHBondContact O-N 2.89Å; F116-W120 PolarHBondContact O-N 3.48Å; F116-F143 HydrophobicContact CE1-CD1 4.47Å; F116-F143 HydrophobicContact CE1-CE1 4.1Å; F116-I144 HydrophobicContact CB-CD1 4.12Å; F116-I144 HydrophobicContact CD1-CD1 3.75Å; F116-I144 HydrophobicContact CD1-CG1 3.58Å; F116-I144 HydrophobicContact CD2-CG1 4.38Å; F116-I144 HydrophobicContact CD2-CG2 3.91Å; F116-I144 HydrophobicContact CE1-CD1 4.34Å; F116-I144 HydrophobicContact CE1-CG1 3.66Å; F116-I144 HydrophobicContact CE2-CG1 4.43Å; F116-I144 HydrophobicContact CE2-CG2 3.99Å; F116-I144 HydrophobicContact CG-CD1 3.92Å; F116-I144 HydrophobicContact CG-CG1 3.97Å; F116-I144 HydrophobicContact CG-CG2 4.23Å; F116-I144 HydrophobicContact CZ-CG1 4.09Å; F116-I144 HydrophobicContact CZ-CG2 4.39Å; F116-V147 HydrophobicContact CE2-CG1 4.41Å; F116-V147 HydrophobicContact CZ-CB 4.2Å; F116-V147 HydrophobicContact CZ-CG1 4.22Å; F116-V147 HydrophobicContact CZ-CG2 4.2Å; F116-M163 HydrophobicContact CB-CB 4.48Å; F116-M163 HydrophobicContact CD2-CB 4.34Å; F116-M163 HydrophobicContact CD2-CG 4.24Å; F116-M163 HydrophobicContact CD2-SD 4.42Å
117Q91.6Very high91.1Very high90 Ų9053.7 Ų53.742%0.42127%0.27SS..Hα-helixtrans-61.1-49.5178.3-64.4-179.50.100111.1H115 F119 W120 T121 E162H115-Q117 PolarHBondContact O-N 3.26Å; Q117-F119 VanDerWaalsContact C-N 3.27Å; Q117-F119 PolarHBondContact O-N 2.91Å; Q117-W120 PolarHBondContact O-N 3.43Å; Q117-T121 PolarHBondContact O-N 2.83Å; Q117-T121 VanDerWaalsContact O-N 3.13Å; Q117-T121 PolarHBondContact O-OG1 2.84Å; Q117-E162 HydrophobicContact CG-CB 4.31Å; Q117-E162 PolarHBondContact NE2-OE2 3.16Å
118S93.2Very high91Very high57 Ų5761.3 Ų61.340%0.39931%0.305SS..Hα-helixtrans-61.4-36.5175.9-540000112.1H115 T121 S122H115-S118 PolarHBondContact O-N 3.12Å; S118-T121 PolarHBondContact O-N 3.24Å; S118-S122 WeakPolarHBondContact O-CB 3.37Å; S118-S122 PolarHBondContact O-N 3.27Å; S118-S122 PolarHBondContact O-OG 3.32Å
119F94.8Very high90.7Very high0 Ų062.4 Ų62.40%031%0.311CS..Hα-helixtrans-59.1-49174.9168.4-90.7000111.6L107 L110 L111 H115 F116 Q117 T121 S122 L123 F136 V140L107-F119 HydrophobicContact CB-CD2 4.17Å; L107-F119 HydrophobicContact CB-CE2 4.01Å; L107-F119 HydrophobicContact CD2-CD2 3.98Å; L107-F119 HydrophobicContact CD2-CE2 4.19Å; L110-F119 HydrophobicContact CB-CB 4.01Å; L110-F119 HydrophobicContact CD1-CB 4.37Å; L111-F119 HydrophobicContact CD1-CD2 4.03Å; L111-F119 HydrophobicContact CD1-CE2 3.55Å; L111-F119 HydrophobicContact CD1-CZ 3.93Å; L111-F119 HydrophobicContact CD2-CB 4.24Å; L111-F119 HydrophobicContact CD2-CD1 3.9Å; L111-F119 HydrophobicContact CD2-CD2 3.65Å; L111-F119 HydrophobicContact CD2-CE1 4.17Å; L111-F119 HydrophobicContact CD2-CE2 3.9Å; L111-F119 HydrophobicContact CD2-CG 3.64Å; L111-F119 HydrophobicContact CD2-CZ 4.15Å; L111-F119 HydrophobicContact CG-CD2 3.52Å; L111-F119 HydrophobicContact CG-CE2 3.61Å; L111-F119 HydrophobicContact CG-CG 4.06Å; L111-F119 HydrophobicContact CG-CZ 4.24Å; H115-F119 PolarHBondContact O-N 3.08Å; F116-F119 WeakPolarHBondContact O-CB 3.45Å; F116-F119 PolarHBondContact O-N 2.89Å; Q117-F119 VanDerWaalsContact C-N 3.27Å; Q117-F119 PolarHBondContact O-N 2.91Å; F119-T121 PolarHBondContact O-N 2.99Å; F119-S122 PolarHBondContact O-N 3.19Å; F119-L123 HydrophobicContact CE1-CD2 3.91Å; F119-L123 HydrophobicContact CZ-CD2 4.06Å; F119-L123 VanDerWaalsContact O-CB 3.24Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.01Å; F119-F136 HydrophobicContact CZ-CE1 4.02Å; F119-F136 HydrophobicContact CZ-CZ 4.32Å; F119-V140 HydrophobicContact CD1-CG1 4.32Å; F119-V140 HydrophobicContact CE1-CB 4.48Å; F119-V140 HydrophobicContact CE1-CG1 3.65Å; F119-V140 HydrophobicContact CE1-CG2 4.44Å; F119-V140 HydrophobicContact CZ-CG1 3.99Å; F119-V140 HydrophobicContact CZ-CG2 4.06Å
120W94.3Very high90.6Very high28 Ų2859.8 Ų59.811%0.10630%0.297CS..Hα-helixtrans-64.3-41.7-179.5-68.1116.2000112.3F116 Q117 L123 E124 E137 V140 R141 I144 M163F116-W120 PolarHBondContact O-N 3.48Å; Q117-W120 PolarHBondContact O-N 3.43Å; W120-L123 HydrophobicContact CE3-CD2 3.84Å; W120-L123 HydrophobicContact CZ3-CD2 3.76Å; W120-L123 PolarHBondContact O-N 3.4Å; W120-E124 PolarHBondContact O-N 3.39Å; W120-E137 HydrophobicContact CH2-CB 4.15Å; W120-E137 HydrophobicContact CZ3-CB 4.19Å; W120-E137 HydrophobicContact CZ3-CG 4.11Å; W120-V140 HydrophobicContact CH2-CB 4.37Å; W120-V140 HydrophobicContact CH2-CG1 4.21Å; W120-V140 HydrophobicContact CZ2-CG1 4.05Å; W120-R141 HydrophobicContact CH2-CG 4Å; W120-R141 HydrophobicContact CZ2-CG 3.83Å; W120-I144 HydrophobicContact CZ2-CD1 3.92Å; W120-M163 PolarHBondContact NE1-O 3.47Å
121T93.2Very high90.3Very high80 Ų8065.7 Ų65.749%0.49133%0.328SS..Hα-helixtrans-61.5-48.6175.1-52.90000111.7Q117 S118 F119 L123 E124 E125Q117-T121 PolarHBondContact O-N 2.83Å; Q117-T121 VanDerWaalsContact O-N 3.13Å; Q117-T121 PolarHBondContact O-OG1 2.84Å; S118-T121 PolarHBondContact O-N 3.24Å; F119-T121 PolarHBondContact O-N 2.99Å; T121-L123 VanDerWaalsContact C-N 3.28Å; T121-L123 PolarHBondContact O-N 3.41Å; T121-E124 PolarHBondContact O-N 2.87Å; T121-E125 PolarHBondContact O-N 3.18Å
122S92.4Very high90Very high17 Ų1767.6 Ų67.612%0.11935%0.348CS..Hα-helixtrans-65.6-31.5176.8-66.70000112.6S118 F119 N126S118-S122 WeakPolarHBondContact O-CB 3.37Å; S118-S122 PolarHBondContact O-N 3.27Å; S118-S122 PolarHBondContact O-OG 3.32Å; F119-S122 PolarHBondContact O-N 3.19Å; S122-N126 PolarHBondContact O-N 2.81Å; S122-N126 PolarHBondContact O-ND2 3.03Å
123L91.6Very high90.2Very high3 Ų365.5 Ų65.52%0.01634%0.339CS..Hα-helixtrans-68.6-40.4175.3-176.265.7000111.2L107 F119 W120 T121 E125 N126 R127 I130 F136L107-L123 HydrophobicContact CD1-CD1 4.18Å; F119-L123 HydrophobicContact CE1-CD2 3.91Å; F119-L123 HydrophobicContact CZ-CD2 4.06Å; F119-L123 VanDerWaalsContact O-CB 3.24Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.01Å; W120-L123 HydrophobicContact CE3-CD2 3.84Å; W120-L123 HydrophobicContact CZ3-CD2 3.76Å; W120-L123 PolarHBondContact O-N 3.4Å; T121-L123 VanDerWaalsContact C-N 3.28Å; T121-L123 PolarHBondContact O-N 3.41Å; L123-E125 VanDerWaalsContact C-N 3.32Å; L123-E125 PolarHBondContact O-N 3.49Å; L123-N126 CarbonylContact O-C 3.6Å; L123-N126 PolarHBondContact O-N 3.14Å; L123-R127 PolarHBondContact O-N 3.44Å; L123-I130 HydrophobicContact CD1-CD1 4.27Å; L123-I130 HydrophobicContact CD1-CG2 3.73Å; L123-I130 HydrophobicContact CD2-CD1 4.41Å; L123-I130 HydrophobicContact CG-CD1 4.45Å; L123-F136 HydrophobicContact CD1-CE1 4.1Å; L123-F136 HydrophobicContact CD2-CE1 4.12Å
124E90Very high90.3Very high148 Ų14865.9 Ų65.969%0.69234%0.341SS*.Hα-helixtrans-60.4-41.3177.4-170.9172.8-168.300111.9W120 T121 N126 R127W120-E124 PolarHBondContact O-N 3.39Å; T121-E124 PolarHBondContact O-N 2.87Å; E124-N126 PolarHBondContact O-N 3.05Å; E124-R127 WeakPolarHBondContact O-CG 3.46Å
125E89.5Confident90.3Very high149 Ų14965 Ų6570%0.69634%0.339SS*.Hα-helixtrans-65.2-24.4174.4-67179.8163.900113.3T121 L123T121-E125 PolarHBondContact O-N 3.18Å; L123-E125 VanDerWaalsContact C-N 3.32Å; L123-E125 PolarHBondContact O-N 3.49Å
126N88.8Confident90.3Very high32 Ų3260.2 Ų60.217%0.17132%0.317CS..THydrogen-bonded Turntrans-121.434.4-174.1-62-88.5000112.1S122 L123 E124 E128 L129S122-N126 PolarHBondContact O-N 2.81Å; S122-N126 PolarHBondContact O-ND2 3.03Å; L123-N126 CarbonylContact O-C 3.6Å; L123-N126 PolarHBondContact O-N 3.14Å; E124-N126 PolarHBondContact O-N 3.05Å; N126-E128 PolarHBondContact O-N 3.43Å; N126-E128 VanDerWaalsContact O-N 3.08Å; N126-L129 HydrophobicContact CB-CD1 3.67Å; N126-L129 HydrophobicContact CB-CG 3.95Å; N126-L129 WeakPolarHBondContact O-CB 3.31Å; N126-L129 WeakPolarHBondContact O-CG 3.48Å; N126-L129 PolarHBondContact O-N 3.44Å
127R87Confident90.3Very high150 Ų15062.2 Ų62.257%0.56633%0.327SS*.G310 helixtrans-56.2-27.5-176.5-75.4-99-83-175-6.2114.3L123 E124 L129 I130 E137L123-R127 PolarHBondContact O-N 3.44Å; E124-R127 WeakPolarHBondContact O-CG 3.46Å; R127-L129 PolarHBondContact O-N 3.47Å; R127-I130 WeakPolarHBondContact O-CG1 3.27Å; R127-I130 PolarHBondContact O-N 3.36Å; R127-E137 IonicContact NH1-OE1 3.76Å; R127-E137 PolarHBondContact NH1-OE1 2.82Å
128E89Confident90.3Very high160 Ų16061.7 Ų61.775%0.74833%0.327SS*.G310 helixtrans-61.5-25.5175.761.6-177.4-176.400113.4N126 I130 D131N126-E128 PolarHBondContact O-N 3.43Å; N126-E128 VanDerWaalsContact O-N 3.08Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 PolarHBondContact O-N 3.14Å; E128-D131 WeakPolarHBondContact O-CB 3.46Å; E128-D131 PolarHBondContact O-N 3.22Å
129L85.6Confident90.2Very high24 Ų2459.6 Ų59.613%0.12631%0.312CS..G310 helixtrans-69.1-33.2-177.9-59.9-173.7000112.9L72 P100 Q103 I104 N126 R127 D131L72-L129 HydrophobicContact CD1-CB 4.44Å; L72-L129 WeakPolarHBondContact CD1-O 3.47Å; P100-L129 HydrophobicContact CB-CD1 4.4Å; P100-L129 HydrophobicContact CB-CD2 3.24Å; P100-L129 HydrophobicContact CB-CG 4.45Å; P100-L129 HydrophobicContact CG-CD2 3.91Å; Q103-L129 HydrophobicContact CB-CD1 3.96Å; I104-L129 HydrophobicContact CG1-CD1 4.06Å; N126-L129 HydrophobicContact CB-CD1 3.67Å; N126-L129 HydrophobicContact CB-CG 3.95Å; N126-L129 WeakPolarHBondContact O-CB 3.31Å; N126-L129 WeakPolarHBondContact O-CG 3.48Å; N126-L129 PolarHBondContact O-N 3.44Å; R127-L129 PolarHBondContact O-N 3.47Å; L129-D131 VanDerWaalsContact C-N 3.33Å
130I88.2Confident90.1Very high20 Ų2059.6 Ų59.610%0.10331%0.312CS..G310 helixtrans-91.40.3-178.259.3165.8000112.6L72 L123 R127 E128 G132 I133 F136 E137L72-I130 HydrophobicContact CD2-CG2 4.31Å; L123-I130 HydrophobicContact CD1-CD1 4.27Å; L123-I130 HydrophobicContact CD1-CG2 3.73Å; L123-I130 HydrophobicContact CD2-CD1 4.41Å; L123-I130 HydrophobicContact CG-CD1 4.45Å; R127-I130 WeakPolarHBondContact O-CG1 3.27Å; R127-I130 PolarHBondContact O-N 3.36Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 PolarHBondContact O-N 3.14Å; I130-G132 PolarHBondContact O-N 3.4Å; I130-I133 PolarHBondContact O-N 2.88Å; I130-I133 VanDerWaalsContact O-N 3.09Å; I130-F136 HydrophobicContact CB-CD1 4.29Å; I130-F136 HydrophobicContact CB-CG 4.41Å; I130-F136 HydrophobicContact CD1-CD1 4.49Å; I130-F136 HydrophobicContact CG2-CD1 3.56Å; I130-F136 HydrophobicContact CG2-CD2 4.28Å; I130-F136 HydrophobicContact CG2-CE1 3.65Å; I130-F136 HydrophobicContact CG2-CE2 4.37Å; I130-F136 HydrophobicContact CG2-CG 3.89Å; I130-F136 HydrophobicContact CG2-CZ 4.08Å; I130-E137 HydrophobicContact CD1-CG 4.48Å
131D86.9Confident90Very high137 Ų13759.1 Ų59.173%0.73331%0.311SS*.THydrogen-bonded Turntrans-63.5132.7178.3-165.317.8000110.5E128 L129 I133E128-D131 WeakPolarHBondContact O-CB 3.46Å; E128-D131 PolarHBondContact O-N 3.22Å; L129-D131 VanDerWaalsContact C-N 3.33Å; D131-I133 VanDerWaalsContact C-N 3.32Å; D131-I133 PolarHBondContact O-N 3.2Å
132G84.6Confident90Very high41 Ų4159.3 Ų59.342%0.42331%0.305SS..THydrogen-bonded Turntrans79.20.2-173.700000116.4A38 I130A38-G132 CarbonylContact C-O 3.51Å; I130-G132 PolarHBondContact O-N 3.4Å
133I91.2Very high89.9Confident13 Ų1358.8 Ų58.87%0.06730%0.3CS..  trans-99103.3172.4-53-176.2000110.3A38 L72 K73 I130 D131 G135 F136A38-I133 HydrophobicContact CB-CG1 4.31Å; L72-I133 HydrophobicContact CB-CD1 3.29Å; L72-I133 HydrophobicContact CD1-CD1 3.45Å; L72-I133 VanDerWaalsContact CD1-CD1 3.45Å; L72-I133 HydrophobicContact CG-CD1 3.97Å; K73-I133 HydrophobicContact CD-CG2 3.89Å; I130-I133 PolarHBondContact O-N 2.88Å; I130-I133 VanDerWaalsContact O-N 3.09Å; D131-I133 VanDerWaalsContact C-N 3.32Å; D131-I133 PolarHBondContact O-N 3.2Å; I133-G135 PolarHBondContact O-N 3.04Å; I133-F136 HydrophobicContact CB-CB 4.38Å; I133-F136 HydrophobicContact CG2-CB 4Å; I133-F136 HydrophobicContact CG2-CD2 4.26Å
134T90.8Very high89.8Confident74 Ų7458.6 Ų58.645%0.45430%0.299SS..THydrogen-bonded Turntrans-71.6125.4-178-56.80000111A38 R39 N41A38-T134 PolarHBondContact O-N 2.65Å; R39-T134 WeakPolarHBondContact O-CB 3.43Å; R39-T134 PolarHBondContact O-OG1 3.39Å; N41-T134 HydrophobicContact CB-CG2 4.4Å; N41-T134 WeakPolarHBondContact CB-O 3.49Å; N41-T134 VanDerWaalsContact CG-O 3.25Å; N41-T134 PolarHBondContact OD1-O 3.11Å
135G89.8Confident89.9Confident26 Ų2651.6 Ų51.627%0.26827%0.266SS..THydrogen-bonded Turntrans78.818.3173.300000115.3I133 S139I133-G135 PolarHBondContact O-N 3.04Å; G135-S139 WeakPolarHBondContact O-CB 3.43Å; G135-S139 PolarHBondContact O-N 3.18Å; G135-S139 PolarHBondContact O-OG 3.07Å; G135-S139 VanDerWaalsContact O-OG 3.13Å
136F92.1Very high89.8Confident5 Ų548.1 Ų48.12%0.02225%0.25CS..Hα-helixtrans-57.5-56.8179.8-177.7-93.2000112.7L72 L75 T76 F119 L123 I130 I133 D138 S139 V140L72-F136 HydrophobicContact CB-CD2 4.49Å; L72-F136 HydrophobicContact CB-CE2 4.1Å; L72-F136 HydrophobicContact CD2-CE2 3.74Å; L72-F136 HydrophobicContact CD2-CZ 3.93Å; L72-F136 WeakPolarHBondContact O-CE2 3.46Å; L75-F136 HydrophobicContact CB-CE2 4.35Å; T76-F136 HydrophobicContact CG2-CB 4.4Å; T76-F136 HydrophobicContact CG2-CD2 3.39Å; T76-F136 HydrophobicContact CG2-CE2 3.95Å; T76-F136 HydrophobicContact CG2-CG 4.18Å; F119-F136 HydrophobicContact CZ-CE1 4.02Å; F119-F136 HydrophobicContact CZ-CZ 4.32Å; L123-F136 HydrophobicContact CD1-CE1 4.1Å; L123-F136 HydrophobicContact CD2-CE1 4.12Å; I130-F136 HydrophobicContact CB-CD1 4.29Å; I130-F136 HydrophobicContact CB-CG 4.41Å; I130-F136 HydrophobicContact CD1-CD1 4.49Å; I130-F136 HydrophobicContact CG2-CD1 3.56Å; I130-F136 HydrophobicContact CG2-CD2 4.28Å; I130-F136 HydrophobicContact CG2-CE1 3.65Å; I130-F136 HydrophobicContact CG2-CE2 4.37Å; I130-F136 HydrophobicContact CG2-CG 3.89Å; I130-F136 HydrophobicContact CG2-CZ 4.08Å; I133-F136 HydrophobicContact CB-CB 4.38Å; I133-F136 HydrophobicContact CG2-CB 4Å; I133-F136 HydrophobicContact CG2-CD2 4.26Å; F136-D138 VanDerWaalsContact C-N 3.31Å; F136-D138 PolarHBondContact O-N 3.04Å; F136-S139 PolarHBondContact O-N 2.88Å; F136-S139 VanDerWaalsContact O-N 3.15Å; F136-V140 HydrophobicContact CD1-CG2 4.27Å; F136-V140 HydrophobicContact CE1-CG2 3.89Å; F136-V140 HydrophobicContact CZ-CG2 4.04Å; F136-V140 WeakPolarHBondContact O-CG2 3.47Å; F136-V140 PolarHBondContact O-N 3.19Å
137E91.8Very high89.7Confident53 Ų5346.8 Ų46.825%0.24824%0.243CC..Hα-helixtrans-60.3-40.6-177.4-59.9-176.1-177.500112.2W120 R127 I130 S139 V140 R141W120-E137 HydrophobicContact CH2-CB 4.15Å; W120-E137 HydrophobicContact CZ3-CB 4.19Å; W120-E137 HydrophobicContact CZ3-CG 4.11Å; R127-E137 IonicContact NH1-OE1 3.76Å; R127-E137 PolarHBondContact NH1-OE1 2.82Å; I130-E137 HydrophobicContact CD1-CG 4.48Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 3.31Å; E137-V140 PolarHBondContact O-N 3.05Å; E137-R141 WeakPolarHBondContact O-CG 2.93Å; E137-R141 PolarHBondContact O-N 3.5Å; E137-R141 IonicContact OE2-CZ 3.48Å; E137-R141 IonicContact OE2-NH1 2.62Å; E137-R141 PolarHBondContact OE2-NH1 3.18Å; E137-R141 IonicContact OE2-NH2 2.91Å; E137-R141 PolarHBondContact OE2-NH2 3.37Å
138D91.4Very high89.8Confident79 Ų7939.7 Ų39.742%0.42222%0.216SC..Hα-helixtrans-66-37178.5-76.1-9.6000112.2F136 R141 K142 W175F136-D138 VanDerWaalsContact C-N 3.31Å; F136-D138 PolarHBondContact O-N 3.04Å; D138-R141 PolarHBondContact O-N 3.26Å; D138-R141 IonicContact OD1-NH1 3.95Å; D138-R141 PolarHBondContact OD1-NH1 3.17Å; D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.01Å; D138-W175 HydrophobicContact CB-CH2 4.37Å; D138-W175 HydrophobicContact CB-CZ2 4.22Å; D138-W175 WeakPolarHBondContact O-CH2 3.3Å
139S91.8Very high89.7Confident13 Ų1333.3 Ų33.39%0.09119%0.193CC..Hα-helixtrans-67.8-39.7174.7-67.20000111.7G135 F136 E137 K142 F143G135-S139 WeakPolarHBondContact O-CB 3.43Å; G135-S139 PolarHBondContact O-N 3.18Å; G135-S139 PolarHBondContact O-OG 3.07Å; G135-S139 VanDerWaalsContact O-OG 3.13Å; F136-S139 PolarHBondContact O-N 2.88Å; F136-S139 VanDerWaalsContact O-N 3.15Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 3.31Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.36Å; S139-F143 PolarHBondContact O-N 3.18Å; S139-F143 VanDerWaalsContact O-N 3.14Å
140V92.4Very high89.7Confident0 Ų033.8 Ų33.80%020%0.196CC..Hα-helixtrans-63.3-45.8172.6175.60000110.9L111 F119 W120 F136 E137 K142 F143 I144L111-V140 HydrophobicContact CD1-CG1 4.24Å; L111-V140 HydrophobicContact CD1-CG2 4.23Å; L111-V140 HydrophobicContact CD2-CG1 3.81Å; F119-V140 HydrophobicContact CD1-CG1 4.32Å; F119-V140 HydrophobicContact CE1-CB 4.48Å; F119-V140 HydrophobicContact CE1-CG1 3.65Å; F119-V140 HydrophobicContact CE1-CG2 4.44Å; F119-V140 HydrophobicContact CZ-CG1 3.99Å; F119-V140 HydrophobicContact CZ-CG2 4.06Å; W120-V140 HydrophobicContact CH2-CB 4.37Å; W120-V140 HydrophobicContact CH2-CG1 4.21Å; W120-V140 HydrophobicContact CZ2-CG1 4.05Å; F136-V140 HydrophobicContact CD1-CG2 4.27Å; F136-V140 HydrophobicContact CE1-CG2 3.89Å; F136-V140 HydrophobicContact CZ-CG2 4.04Å; F136-V140 WeakPolarHBondContact O-CG2 3.47Å; F136-V140 PolarHBondContact O-N 3.19Å; E137-V140 PolarHBondContact O-N 3.05Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.44Å; V140-F143 WeakPolarHBondContact O-CA 3.43Å; V140-F143 WeakPolarHBondContact O-CB 3.41Å; V140-F143 PolarHBondContact O-N 2.89Å; V140-I144 HydrophobicContact CG1-CD1 3.93Å; V140-I144 HydrophobicContact CG1-CG1 4.33Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.08Å
141R92.6Very high89.5Confident18 Ų1835.5 Ų35.57%0.06821%0.207CC..Hα-helixtrans-58.9-38.9175.5-72.2177.9-169.7112.58112.2W120 E137 D138 F143 I144 C145 L164 W175W120-R141 HydrophobicContact CH2-CG 4Å; W120-R141 HydrophobicContact CZ2-CG 3.83Å; E137-R141 WeakPolarHBondContact O-CG 2.93Å; E137-R141 PolarHBondContact O-N 3.5Å; E137-R141 IonicContact OE2-CZ 3.48Å; E137-R141 IonicContact OE2-NH1 2.62Å; E137-R141 PolarHBondContact OE2-NH1 3.18Å; E137-R141 IonicContact OE2-NH2 2.91Å; E137-R141 PolarHBondContact OE2-NH2 3.37Å; D138-R141 PolarHBondContact O-N 3.26Å; D138-R141 IonicContact OD1-NH1 3.95Å; D138-R141 PolarHBondContact OD1-NH1 3.17Å; R141-F143 VanDerWaalsContact C-N 3.32Å; R141-F143 PolarHBondContact O-N 3.17Å; R141-I144 PolarHBondContact O-N 2.6Å; R141-C145 WeakPolarHBondContact O-CB 3.35Å; R141-C145 PolarHBondContact O-N 3.48Å; R141-C145 PolarHBondContact O-SG 2.87Å; R141-L164 HydrophobicContact CB-CD2 4.08Å; R141-L164 HydrophobicContact CG-CD2 4.08Å; R141-L164 PolarHBondContact NE-O 3.37Å; R141-L164 VanDerWaalsContact NE-O 3.17Å; R141-W175 HydrophobicContact CB-CH2 3.96Å; R141-W175 HydrophobicContact CB-CZ2 3.77Å; R141-W175 HydrophobicContact CB-CZ3 4.42Å
142K91.6Very high89.4Confident84 Ų8433 Ų3337%0.36519%0.188SC..Hα-helixtrans-58.8-43.3172.9-74.3169.6-166.2165.60112.1D138 S139 V140 C145 H146 W175 Y179D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.01Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.36Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.44Å; K142-C145 PolarHBondContact O-N 3.43Å; K142-H146 WeakPolarHBondContact O-CB 3.41Å; K142-H146 PolarHBondContact O-N 3.44Å; K142-W175 HydrophobicContact CB-CZ3 4.41Å; K142-W175 HydrophobicContact CG-CH2 3.72Å; K142-W175 HydrophobicContact CG-CZ3 3.59Å; K142-Y179 WeakPolarHBondContact CA-OH 3.41Å; K142-Y179 PolarHBondContact O-OH 3.15Å
143F90.3Very high89.4Confident5 Ų534.9 Ų34.92%0.02219%0.186CC..Hα-helixtrans-63.6-47.4176.5169.6-113000110.9L78 P79 L111 F116 S139 V140 R141 C145 H146 V147L78-F143 HydrophobicContact CB-CB 4.32Å; L78-F143 HydrophobicContact CB-CD1 4.2Å; L78-F143 HydrophobicContact CB-CD2 3.64Å; L78-F143 HydrophobicContact CB-CE1 4.45Å; L78-F143 HydrophobicContact CB-CE2 3.95Å; L78-F143 HydrophobicContact CB-CG 3.78Å; L78-F143 HydrophobicContact CB-CZ 4.34Å; L78-F143 HydrophobicContact CD1-CD1 4.17Å; L78-F143 HydrophobicContact CD1-CE1 4.03Å; L78-F143 HydrophobicContact CD1-CZ 4.33Å; P79-F143 HydrophobicContact CB-CD2 4.2Å; P79-F143 HydrophobicContact CB-CE2 3.91Å; L111-F143 HydrophobicContact CB-CE1 4.31Å; F116-F143 HydrophobicContact CE1-CD1 4.47Å; F116-F143 HydrophobicContact CE1-CE1 4.1Å; S139-F143 PolarHBondContact O-N 3.18Å; S139-F143 VanDerWaalsContact O-N 3.14Å; V140-F143 WeakPolarHBondContact O-CA 3.43Å; V140-F143 WeakPolarHBondContact O-CB 3.41Å; V140-F143 PolarHBondContact O-N 2.89Å; R141-F143 VanDerWaalsContact C-N 3.32Å; R141-F143 PolarHBondContact O-N 3.17Å; F143-C145 VanDerWaalsContact C-N 3.33Å; F143-C145 PolarHBondContact O-N 2.71Å; F143-H146 WeakPolarHBondContact O-CA 3.44Å; F143-H146 VanDerWaalsContact O-CB 3.3Å; F143-H146 WeakPolarHBondContact O-CB 3.3Å; F143-H146 PolarHBondContact O-N 2.94Å; F143-V147 HydrophobicContact CD2-CG2 4.18Å; F143-V147 HydrophobicContact CE1-CG2 4.17Å; F143-V147 HydrophobicContact CE2-CG2 3.7Å; F143-V147 HydrophobicContact CZ-CG2 3.69Å; F143-V147 WeakPolarHBondContact O-CG2 3.4Å; F143-V147 PolarHBondContact O-N 2.92Å
144I91.4Very high89.2Confident0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-58-46.1176.6-61.9175.3000110.8F116 W120 V140 R141 H146 V147 V148 M163 L164F116-I144 HydrophobicContact CB-CD1 4.12Å; F116-I144 HydrophobicContact CD1-CD1 3.75Å; F116-I144 HydrophobicContact CD1-CG1 3.58Å; F116-I144 HydrophobicContact CD2-CG1 4.38Å; F116-I144 HydrophobicContact CD2-CG2 3.91Å; F116-I144 HydrophobicContact CE1-CD1 4.34Å; F116-I144 HydrophobicContact CE1-CG1 3.66Å; F116-I144 HydrophobicContact CE2-CG1 4.43Å; F116-I144 HydrophobicContact CE2-CG2 3.99Å; F116-I144 HydrophobicContact CG-CD1 3.92Å; F116-I144 HydrophobicContact CG-CG1 3.97Å; F116-I144 HydrophobicContact CG-CG2 4.23Å; F116-I144 HydrophobicContact CZ-CG1 4.09Å; F116-I144 HydrophobicContact CZ-CG2 4.39Å; W120-I144 HydrophobicContact CZ2-CD1 3.92Å; V140-I144 HydrophobicContact CG1-CD1 3.93Å; V140-I144 HydrophobicContact CG1-CG1 4.33Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.08Å; R141-I144 PolarHBondContact O-N 2.6Å; I144-H146 VanDerWaalsContact C-N 3.28Å; I144-H146 PolarHBondContact O-N 3.47Å; I144-V147 PolarHBondContact O-N 3.16Å; I144-V148 HydrophobicContact CG2-CG2 4.38Å; I144-V148 WeakPolarHBondContact O-CG2 3.3Å; I144-V148 PolarHBondContact O-N 2.71Å; I144-M163 VanDerWaalsContact CD1-O 3.28Å; I144-M163 WeakPolarHBondContact CD1-O 3.44Å; I144-M163 HydrophobicContact CG2-CB 4.18Å; I144-L164 HydrophobicContact CB-CD2 4.12Å; I144-L164 HydrophobicContact CG2-CD2 3.89Å
145C90.1Very high89.1Confident0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-60.9-36.9175.6-71.30000112.7R141 K142 F143 G149 Y179 W181R141-C145 WeakPolarHBondContact O-CB 3.35Å; R141-C145 PolarHBondContact O-N 3.48Å; R141-C145 PolarHBondContact O-SG 2.87Å; K142-C145 PolarHBondContact O-N 3.43Å; F143-C145 VanDerWaalsContact C-N 3.33Å; F143-C145 PolarHBondContact O-N 2.71Å; C145-G149 PolarHBondContact O-N 2.72Å; C145-Y179 HydrophobicContact CB-CD1 4.16Å; C145-Y179 HydrophobicContact CB-CD2 3.99Å; C145-Y179 HydrophobicContact CB-CE1 3.7Å; C145-Y179 HydrophobicContact CB-CE2 3.55Å; C145-Y179 HydrophobicContact CB-CG 4.29Å; C145-W181 HydrophobicContact CB-CH2 3.86Å; C145-W181 HydrophobicContact CB-CZ2 4.43Å
146H88.4Confident89.2Confident77 Ų7736 Ų3636%0.35619%0.185SC..Hα-helixtrans-63.7-45.7174.2178.374.8000111.7K142 F143 I144 G149 I150K142-H146 WeakPolarHBondContact O-CB 3.41Å; K142-H146 PolarHBondContact O-N 3.44Å; F143-H146 WeakPolarHBondContact O-CA 3.44Å; F143-H146 VanDerWaalsContact O-CB 3.3Å; F143-H146 WeakPolarHBondContact O-CB 3.3Å; F143-H146 PolarHBondContact O-N 2.94Å; I144-H146 VanDerWaalsContact C-N 3.28Å; I144-H146 PolarHBondContact O-N 3.47Å; H146-G149 PolarHBondContact O-N 3.43Å; H146-I150 WeakPolarHBondContact NE2-CD1 3.48Å; H146-I150 WeakPolarHBondContact O-CG1 3.24Å; H146-I150 PolarHBondContact O-N 3.36Å
147V87.8Confident89Confident4 Ų438 Ų382%0.02419%0.192CC..Hα-helixtrans-60.6-49.7175.91790000110.7F116 F143 I144 G149 I150 T151 I203F116-V147 HydrophobicContact CE2-CG1 4.41Å; F116-V147 HydrophobicContact CZ-CB 4.2Å; F116-V147 HydrophobicContact CZ-CG1 4.22Å; F116-V147 HydrophobicContact CZ-CG2 4.2Å; F143-V147 HydrophobicContact CD2-CG2 4.18Å; F143-V147 HydrophobicContact CE1-CG2 4.17Å; F143-V147 HydrophobicContact CE2-CG2 3.7Å; F143-V147 HydrophobicContact CZ-CG2 3.69Å; F143-V147 WeakPolarHBondContact O-CG2 3.4Å; F143-V147 PolarHBondContact O-N 2.92Å; I144-V147 PolarHBondContact O-N 3.16Å; V147-G149 VanDerWaalsContact C-N 3.29Å; V147-G149 PolarHBondContact O-N 3.16Å; V147-I150 PolarHBondContact O-N 3.14Å; V147-T151 HydrophobicContact CG1-CG2 4.19Å; V147-T151 PolarHBondContact O-N 3.07Å; V147-T151 PolarHBondContact O-OG1 3.09Å; V147-I203 HydrophobicContact CB-CG2 4.33Å; V147-I203 HydrophobicContact CG1-CG2 3.87Å; V147-I203 HydrophobicContact CG2-CG2 3.7Å
148V88.9Confident88.9Confident1 Ų141.6 Ų41.61%0.00621%0.21CC..Hα-helixtrans-59-41.6178.9171.50000111.5I144 I150 T151 Y152 I155 L160 M163 W181 I191I144-V148 HydrophobicContact CG2-CG2 4.38Å; I144-V148 WeakPolarHBondContact O-CG2 3.3Å; I144-V148 PolarHBondContact O-N 2.71Å; V148-I150 PolarHBondContact O-N 3.06Å; V148-I150 VanDerWaalsContact O-N 3.17Å; V148-T151 PolarHBondContact O-N 3.28Å; V148-Y152 HydrophobicContact CB-CD2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 4.08Å; V148-Y152 HydrophobicContact CG2-CD2 4.44Å; V148-Y152 PolarHBondContact O-N 3.16Å; V148-I155 HydrophobicContact CG1-CD1 4.19Å; V148-L160 HydrophobicContact CG1-CD1 4.26Å; V148-L160 HydrophobicContact CG2-CD1 4.34Å; V148-M163 HydrophobicContact CG2-SD 4.06Å; V148-W181 HydrophobicContact CB-CH2 4.04Å; V148-W181 HydrophobicContact CB-CZ2 4.48Å; V148-W181 HydrophobicContact CG1-CH2 3.82Å; V148-W181 HydrophobicContact CG1-CZ2 4.2Å; V148-W181 HydrophobicContact CG1-CZ3 4.46Å; V148-I191 HydrophobicContact CG1-CD1 4.04Å; V148-I191 HydrophobicContact CG1-CG1 4.31Å
149G86.2Confident88.8Confident25 Ų2540.4 Ų40.426%0.25820%0.203SC..Hα-helixtrans-61.2-19.6175.900000114.8C145 H146 V147C145-G149 PolarHBondContact O-N 2.72Å; H146-G149 PolarHBondContact O-N 3.43Å; V147-G149 VanDerWaalsContact C-N 3.29Å; V147-G149 PolarHBondContact O-N 3.16Å
150I84.8Confident88.7Confident35 Ų3539.8 Ų39.818%0.17920%0.199CC..Hα-helixtrans-95.6-39.6176.8-66.7168.1000111.1H146 V147 V148 K201 I203H146-I150 WeakPolarHBondContact NE2-CD1 3.48Å; H146-I150 WeakPolarHBondContact O-CG1 3.24Å; H146-I150 PolarHBondContact O-N 3.36Å; V147-I150 PolarHBondContact O-N 3.14Å; V148-I150 PolarHBondContact O-N 3.06Å; V148-I150 VanDerWaalsContact O-N 3.17Å; I150-K201 HydrophobicContact CD1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CD 4.17Å; I150-K201 HydrophobicContact CG2-CB 3.76Å; I150-K201 HydrophobicContact CG2-CD 4.42Å; I150-I203 HydrophobicContact CG2-CG1 4.44Å
151T84.7Confident88.6Confident56 Ų5640.6 Ų40.634%0.34421%0.205SC..Hα-helixtrans-94.2-26.2-166.754.80000114.3V147 V148 I203V147-T151 HydrophobicContact CG1-CG2 4.19Å; V147-T151 PolarHBondContact O-N 3.07Å; V147-T151 PolarHBondContact O-OG1 3.09Å; V148-T151 PolarHBondContact O-N 3.28Å; T151-I203 HydrophobicContact CG2-CD1 3.74Å; T151-I203 HydrophobicContact CG2-CG1 4.36Å
152Y83.8Confident88.5Confident83 Ų8342.3 Ų42.333%0.32521%0.214SC..  trans-112.4140.3-175.7-68.2-92.8000112.4V148 I155 M163 I191V148-Y152 HydrophobicContact CB-CD2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 4.08Å; V148-Y152 HydrophobicContact CG2-CD2 4.44Å; V148-Y152 PolarHBondContact O-N 3.16Å; Y152-I155 HydrophobicContact CD1-CB 4.14Å; Y152-I155 HydrophobicContact CD1-CD1 4.31Å; Y152-I155 HydrophobicContact CD1-CG1 4.2Å; Y152-I155 HydrophobicContact CD2-CD1 4.3Å; Y152-I155 HydrophobicContact CE1-CD1 4.37Å; Y152-I155 HydrophobicContact CE1-CG1 4.41Å; Y152-I155 HydrophobicContact CE2-CD1 4.37Å; Y152-I155 HydrophobicContact CG-CB 4.29Å; Y152-I155 HydrophobicContact CG-CD1 4.29Å; Y152-M163 HydrophobicContact CE2-CE 4.34Å; Y152-I191 WeakPolarHBondContact O-CB 3.45Å; Y152-I191 WeakPolarHBondContact O-CG2 3.37Å
153Q84.8Confident88.5Confident81 Ų8139.4 Ų39.438%0.37920%0.202SC..SBendtrans-88-45.2163.9-65.7-177.838.800110.9I191 Y192 Q194Q153-I191 WeakPolarHBondContact O-CB 3.44Å; Q153-I191 PolarHBondContact O-N 3.43Å; Q153-Y192 VanDerWaalsContact CA-O 3.29Å; Q153-Y192 WeakPolarHBondContact CA-O 3.34Å; Q153-Y192 PolarHBondContact O-N 3.34Å; Q153-Q194 HydrophobicContact CG-CB 3.89Å; Q153-Q194 HydrophobicContact CG-CG 3.57Å
154T87.3Confident88.5Confident60 Ų6039.2 Ų39.237%0.36820%0.201SC..EExtended strand (participates in β ladder)trans-135.1139.1175.352.20000108.6I189 F190T154-I189 CarbonylContact C-O 3.55Å; T154-I189 VanDerWaalsContact CA-O 3.24Å; T154-I189 WeakPolarHBondContact CA-O 3.49Å; T154-F190 HydrophobicContact CG2-CD2 4.05Å
155I90.1Very high88.4Confident5 Ų540.4 Ų40.43%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-131.8144.4177.6-169.6169.5000109.8V148 Y152 L159 L160 M163 I189 I191V148-I155 HydrophobicContact CG1-CD1 4.19Å; Y152-I155 HydrophobicContact CD1-CB 4.14Å; Y152-I155 HydrophobicContact CD1-CD1 4.31Å; Y152-I155 HydrophobicContact CD1-CG1 4.2Å; Y152-I155 HydrophobicContact CD2-CD1 4.3Å; Y152-I155 HydrophobicContact CE1-CD1 4.37Å; Y152-I155 HydrophobicContact CE1-CG1 4.41Å; Y152-I155 HydrophobicContact CE2-CD1 4.37Å; Y152-I155 HydrophobicContact CG-CB 4.29Å; Y152-I155 HydrophobicContact CG-CD1 4.29Å; I155-L159 HydrophobicContact CD1-CD2 4.3Å; I155-L159 HydrophobicContact CD1-CG 4.31Å; I155-L159 HydrophobicContact CG1-CB 4.34Å; I155-L159 HydrophobicContact CG1-CD2 4.1Å; I155-L159 HydrophobicContact CG1-CG 4.34Å; I155-L160 HydrophobicContact CD1-CB 4.16Å; I155-L160 HydrophobicContact CD1-CD1 4.31Å; I155-L160 HydrophobicContact CG1-CB 4.47Å; I155-L160 HydrophobicContact CG2-CB 4.21Å; I155-M163 HydrophobicContact CD1-CE 4.37Å; I155-M163 HydrophobicContact CD1-SD 3.93Å; I155-I189 HydrophobicContact CG2-CB 3.94Å; I155-I189 HydrophobicContact CG2-CG2 4.46Å; I155-I189 PolarHBondContact N-O 2.88Å; I155-I189 PolarHBondContact O-N 3.13Å; I155-I191 HydrophobicContact CG2-CD1 3.81Å; I155-I191 HydrophobicContact CG2-CG1 4.01Å
156D90.9Very high88.3Confident72 Ų7246 Ų4639%0.38524%0.244SC..EExtended strand (participates in β ladder)trans-65.8139.6173.1-173.7-86.6000110.7Q158 L159 L160D156-Q158 VanDerWaalsContact C-N 3.28Å; D156-Q158 PolarHBondContact O-N 3.31Å; D156-Q158 WeakPolarHBondContact OD1-CA 3.39Å; D156-Q158 WeakPolarHBondContact OD1-CB 3.4Å; D156-Q158 PolarHBondContact OD1-N 3.3Å; D156-L159 HydrophobicContact CB-CB 4.1Å; D156-L159 PolarHBondContact O-N 3.03Å; D156-L159 PolarHBondContact OD1-N 3.08Å; D156-L160 PolarHBondContact O-N 3.42Å
157R88.4Confident88.2Confident46 Ų4643.2 Ų43.217%0.17423%0.232CC..Hα-helixtrans-56.6-42.8179.4-176.7-163.9-172.879.18.3112L160 A161 D169 L172 E183 G187 I189R157-L160 PolarHBondContact O-N 3.38Å; R157-A161 PolarHBondContact O-N 3.02Å; R157-D169 IonicContact CZ-OD1 3.3Å; R157-D169 IonicContact NE-OD1 3.49Å; R157-D169 VanDerWaalsContact NH2-CG 3.35Å; R157-D169 IonicContact NH2-OD1 3.96Å; R157-D169 PolarHBondContact NH2-OD1 3.44Å; R157-D169 IonicContact NH2-OD2 2.86Å; R157-L172 HydrophobicContact CG-CD2 4.01Å; R157-E183 WeakPolarHBondContact CD-OE1 3.4Å; R157-E183 IonicContact CZ-OE1 2.73Å; R157-E183 IonicContact CZ-OE2 3.49Å; R157-E183 IonicContact NE-OE1 3.57Å; R157-E183 IonicContact NH1-OE1 2.73Å; R157-E183 PolarHBondContact NH1-OE1 3.08Å; R157-E183 IonicContact NH1-OE2 3.2Å; R157-E183 PolarHBondContact NH1-OE2 3.31Å; R157-G187 WeakPolarHBondContact CB-O 3.43Å; R157-G187 PolarHBondContact N-O 3.13Å; R157-I189 HydrophobicContact CB-CD1 4.22Å; R157-I189 HydrophobicContact CB-CG1 4.43Å; R157-I189 HydrophobicContact CG-CD1 4.29Å
158Q88.9Confident88.1Confident130 Ų13048.8 Ų48.861%0.60726%0.261SS*.Hα-helixtrans-65.1-45.9-179.2-170.6-174.9-2700110.2D156 L160 A161 E162D156-Q158 VanDerWaalsContact C-N 3.28Å; D156-Q158 PolarHBondContact O-N 3.31Å; D156-Q158 WeakPolarHBondContact OD1-CA 3.39Å; D156-Q158 WeakPolarHBondContact OD1-CB 3.4Å; D156-Q158 PolarHBondContact OD1-N 3.3Å; Q158-L160 VanDerWaalsContact C-N 3.32Å; Q158-L160 PolarHBondContact O-N 3.22Å; Q158-A161 WeakPolarHBondContact O-CB 3.32Å; Q158-A161 PolarHBondContact O-N 3.49Å; Q158-A161 VanDerWaalsContact O-N 3.16Å; Q158-E162 PolarHBondContact NE2-OE1 3.18Å; Q158-E162 WeakPolarHBondContact O-CG 3.39Å; Q158-E162 PolarHBondContact O-N 3.25Å
159L89.7Confident87.8Confident54 Ų5452.3 Ų52.328%0.28328%0.28SS..Hα-helixtrans-61.6-40.6177.9-176.861.9000112.1I155 D156 A161 E162 M163I155-L159 HydrophobicContact CD1-CD2 4.3Å; I155-L159 HydrophobicContact CD1-CG 4.31Å; I155-L159 HydrophobicContact CG1-CB 4.34Å; I155-L159 HydrophobicContact CG1-CD2 4.1Å; I155-L159 HydrophobicContact CG1-CG 4.34Å; D156-L159 HydrophobicContact CB-CB 4.1Å; D156-L159 PolarHBondContact O-N 3.03Å; D156-L159 PolarHBondContact OD1-N 3.08Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-E162 PolarHBondContact O-N 3.1Å; L159-M163 HydrophobicContact CD1-CE 3.94Å; L159-M163 HydrophobicContact CD2-CE 3.99Å; L159-M163 HydrophobicContact CG-CE 3.8Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 3Å
160L89.4Confident87.9Confident0 Ų055.8 Ų55.80%030%0.296CS..Hα-helixtrans-64.1-41175.9-178.765.9000111.7V148 I155 D156 R157 Q158 M163 L164 L172 M176 W181 I189V148-L160 HydrophobicContact CG1-CD1 4.26Å; V148-L160 HydrophobicContact CG2-CD1 4.34Å; I155-L160 HydrophobicContact CD1-CB 4.16Å; I155-L160 HydrophobicContact CD1-CD1 4.31Å; I155-L160 HydrophobicContact CG1-CB 4.47Å; I155-L160 HydrophobicContact CG2-CB 4.21Å; D156-L160 PolarHBondContact O-N 3.42Å; R157-L160 PolarHBondContact O-N 3.38Å; Q158-L160 VanDerWaalsContact C-N 3.32Å; Q158-L160 PolarHBondContact O-N 3.22Å; L160-M163 PolarHBondContact O-N 2.54Å; L160-L164 HydrophobicContact CD1-CD1 4.14Å; L160-L164 HydrophobicContact CD1-CG 4.37Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; L160-L164 VanDerWaalsContact O-N 3.08Å; L160-L172 HydrophobicContact CD2-CD1 3.96Å; L160-L172 HydrophobicContact CG-CD1 4.09Å; L160-M176 HydrophobicContact CD2-CG 4.47Å; L160-W181 HydrophobicContact CD1-CH2 4.44Å; L160-W181 HydrophobicContact CD1-CZ3 3.87Å; L160-W181 HydrophobicContact CD2-CE3 3.96Å; L160-W181 HydrophobicContact CD2-CZ3 3.79Å; L160-W181 HydrophobicContact CG-CZ3 4.48Å; L160-I189 HydrophobicContact CB-CD1 4.26Å; L160-I189 HydrophobicContact CD2-CD1 3.36Å; L160-I189 HydrophobicContact CG-CD1 4.43Å
161A90.8Very high87.9Confident16 Ų1658.2 Ų58.213%0.13231%0.307CS..Hα-helixtrans-61.5-47176.500000111.1R157 Q158 L159 M163 L164 G165 D166 P167 L172R157-A161 PolarHBondContact O-N 3.02Å; Q158-A161 WeakPolarHBondContact O-CB 3.32Å; Q158-A161 PolarHBondContact O-N 3.49Å; Q158-A161 VanDerWaalsContact O-N 3.16Å; L159-A161 VanDerWaalsContact C-N 3.35Å; A161-M163 VanDerWaalsContact C-N 3.33Å; A161-M163 PolarHBondContact O-N 3.44Å; A161-L164 CarbonylContact O-C 3.55Å; A161-L164 PolarHBondContact O-N 3.12Å; A161-G165 PolarHBondContact O-N 3.1Å; A161-D166 PolarHBondContact O-N 2.92Å; A161-P167 WeakPolarHBondContact O-CD 3.04Å; A161-L172 HydrophobicContact CB-CD2 4.27Å
162E91.1Very high88Confident54 Ų5455.7 Ų55.725%0.25229%0.291SS..Hα-helixtrans-60.1-42177.2-70.8173.4-167.800111.5Q117 Q158 L159 L164 G165Q117-E162 HydrophobicContact CG-CB 4.31Å; Q117-E162 PolarHBondContact NE2-OE2 3.16Å; Q158-E162 PolarHBondContact NE2-OE1 3.18Å; Q158-E162 WeakPolarHBondContact O-CG 3.39Å; Q158-E162 PolarHBondContact O-N 3.25Å; L159-E162 PolarHBondContact O-N 3.1Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; E162-G165 PolarHBondContact O-N 3.39Å
163M90.4Very high88.1Confident23 Ų2356.4 Ų56.411%0.11330%0.296CS..Hα-helixtrans-63.9-32.1175.9-73.2-178.3-179.100112.7F116 W120 I144 V148 Y152 I155 L159 L160 A161 G165F116-M163 HydrophobicContact CB-CB 4.48Å; F116-M163 HydrophobicContact CD2-CB 4.34Å; F116-M163 HydrophobicContact CD2-CG 4.24Å; F116-M163 HydrophobicContact CD2-SD 4.42Å; W120-M163 PolarHBondContact NE1-O 3.47Å; I144-M163 VanDerWaalsContact CD1-O 3.28Å; I144-M163 WeakPolarHBondContact CD1-O 3.44Å; I144-M163 HydrophobicContact CG2-CB 4.18Å; V148-M163 HydrophobicContact CG2-SD 4.06Å; Y152-M163 HydrophobicContact CE2-CE 4.34Å; I155-M163 HydrophobicContact CD1-CE 4.37Å; I155-M163 HydrophobicContact CD1-SD 3.93Å; L159-M163 HydrophobicContact CD1-CE 3.94Å; L159-M163 HydrophobicContact CD2-CE 3.99Å; L159-M163 HydrophobicContact CG-CE 3.8Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 3Å; L160-M163 PolarHBondContact O-N 2.54Å; A161-M163 VanDerWaalsContact C-N 3.33Å; A161-M163 PolarHBondContact O-N 3.44Å; M163-G165 VanDerWaalsContact C-N 3.31Å
164L90.1Very high88.4Confident1 Ų157 Ų571%0.00531%0.305CS..THydrogen-bonded Turntrans-87.62.5179.5-66.8174.7000113.9R141 I144 L160 A161 E162 P167 L172R141-L164 HydrophobicContact CB-CD2 4.08Å; R141-L164 HydrophobicContact CG-CD2 4.08Å; R141-L164 PolarHBondContact NE-O 3.37Å; R141-L164 VanDerWaalsContact NE-O 3.17Å; I144-L164 HydrophobicContact CB-CD2 4.12Å; I144-L164 HydrophobicContact CG2-CD2 3.89Å; L160-L164 HydrophobicContact CD1-CD1 4.14Å; L160-L164 HydrophobicContact CD1-CG 4.37Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; L160-L164 VanDerWaalsContact O-N 3.08Å; A161-L164 CarbonylContact O-C 3.55Å; A161-L164 PolarHBondContact O-N 3.12Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; L164-P167 HydrophobicContact CB-CG 3.97Å; L164-L172 HydrophobicContact CD1-CD1 3.68Å
165G90.3Very high88.4Confident26 Ų2655 Ų5527%0.26829%0.291SS..THydrogen-bonded Turntrans8341.4178.600000113A161 E162 M163A161-G165 PolarHBondContact O-N 3.1Å; E162-G165 PolarHBondContact O-N 3.39Å; M163-G165 VanDerWaalsContact C-N 3.31Å
166D87.8Confident88.3Confident118 Ų11855.3 Ų55.363%0.63129%0.292SS*.SBendtrans48.554.1178.2-64.1-47.2000114.5A161A161-D166 PolarHBondContact O-N 2.92Å
167P85.4Confident88.2Confident17 Ų1758 Ų5811%0.1131%0.306CS..  trans-66.8158.9176.731.9-36000111A161 L164 Q171 L172A161-P167 WeakPolarHBondContact O-CD 3.04Å; L164-P167 HydrophobicContact CB-CG 3.97Å; P167-Q171 HydrophobicContact CB-CB 4.07Å; P167-L172 HydrophobicContact CG-CB 4.49Å
168L85.6Confident88.3Confident121 Ų12161.6 Ų61.663%0.63432%0.323SS*.  trans-55.3146.5171-76.9154.1000110.8T170 Q171 L172L168-T170 PolarHBondContact O-N 2.94Å; L168-Q171 HydrophobicContact CB-CG 4.41Å; L168-Q171 WeakPolarHBondContact O-CA 3.37Å; L168-Q171 WeakPolarHBondContact O-CB 3.22Å; L168-Q171 PolarHBondContact O-N 3.44Å; L168-L172 PolarHBondContact O-N 3.2Å
169D84.1Confident88.2Confident76 Ų7659.1 Ų59.141%0.40631%0.309SS..Hα-helixtrans-50.9-36.9-179.7-167.478.4000113.4R157 L172 K173R157-D169 IonicContact CZ-OD1 3.3Å; R157-D169 IonicContact NE-OD1 3.49Å; R157-D169 VanDerWaalsContact NH2-CG 3.35Å; R157-D169 IonicContact NH2-OD1 3.96Å; R157-D169 PolarHBondContact NH2-OD1 3.44Å; R157-D169 IonicContact NH2-OD2 2.86Å; D169-L172 PolarHBondContact O-N 3.44Å; D169-K173 WeakPolarHBondContact O-CG 3.46Å; D169-K173 PolarHBondContact O-N 3.04Å; D169-K173 VanDerWaalsContact O-N 3.12Å; D169-K173 WeakPolarHBondContact OD2-CE 2.96Å; D169-K173 IonicContact OD2-NZ 3.92Å; D169-K173 PolarHBondContact OD2-NZ 3.32Å
170T86.9Confident88Confident98 Ų9859.3 Ų59.360%0.60132%0.324SS*.Hα-helixtrans-66-40.2176.650.10000112.5L168 V174L168-T170 PolarHBondContact O-N 2.94Å; T170-V174 WeakPolarHBondContact O-CG2 3.35Å; T170-V174 PolarHBondContact O-N 3.38Å
171Q85.4Confident88Confident85 Ų8560 Ų6040%0.39733%0.327SS..Hα-helixtrans-70.8-40.9177-69.2-179.5-10.600111P167 L168 K173 V174 W175P167-Q171 HydrophobicContact CB-CB 4.07Å; L168-Q171 HydrophobicContact CB-CG 4.41Å; L168-Q171 WeakPolarHBondContact O-CA 3.37Å; L168-Q171 WeakPolarHBondContact O-CB 3.22Å; L168-Q171 PolarHBondContact O-N 3.44Å; Q171-K173 VanDerWaalsContact C-N 3.3Å; Q171-K173 PolarHBondContact O-N 3.33Å; Q171-V174 WeakPolarHBondContact O-CB 3.3Å; Q171-V174 PolarHBondContact O-N 3.05Å; Q171-W175 PolarHBondContact O-N 3.12Å
172L86.6Confident87.8Confident4 Ų463 Ų632%0.02134%0.343CS..Hα-helixtrans-55.8-46.8175.1-17564.8000110.9R157 L160 A161 L164 P167 L168 D169 V174 W175 M176R157-L172 HydrophobicContact CG-CD2 4.01Å; L160-L172 HydrophobicContact CD2-CD1 3.96Å; L160-L172 HydrophobicContact CG-CD1 4.09Å; A161-L172 HydrophobicContact CB-CD2 4.27Å; L164-L172 HydrophobicContact CD1-CD1 3.68Å; P167-L172 HydrophobicContact CG-CB 4.49Å; L168-L172 PolarHBondContact O-N 3.2Å; D169-L172 PolarHBondContact O-N 3.44Å; L172-V174 VanDerWaalsContact C-N 3.32Å; L172-V174 PolarHBondContact O-N 3.03Å; L172-W175 PolarHBondContact O-N 3.41Å; L172-W175 VanDerWaalsContact O-N 3.17Å; L172-M176 HydrophobicContact CG-SD 4.09Å; L172-M176 VanDerWaalsContact O-CG 3.28Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 3.33Å
173K86.8Confident87.5Confident97 Ų9764.5 Ų64.542%0.42235%0.35SS..Hα-helixtrans-60.9-36.4175.2-75.2170.6173.6151.70113.2D169 Q171 M176 N177D169-K173 WeakPolarHBondContact O-CG 3.46Å; D169-K173 PolarHBondContact O-N 3.04Å; D169-K173 VanDerWaalsContact O-N 3.12Å; D169-K173 WeakPolarHBondContact OD2-CE 2.96Å; D169-K173 IonicContact OD2-NZ 3.92Å; D169-K173 PolarHBondContact OD2-NZ 3.32Å; Q171-K173 VanDerWaalsContact C-N 3.3Å; Q171-K173 PolarHBondContact O-N 3.33Å; K173-M176 PolarHBondContact O-N 2.99Å; K173-N177 WeakPolarHBondContact O-CB 3.25Å; K173-N177 PolarHBondContact O-N 2.93Å; K173-N177 PolarHBondContact O-ND2 3.34Å
174V90.1Very high87.2Confident93 Ų9366.6 Ų66.656%0.56436%0.362SS*.Hα-helixtrans-63.5-44.3174.7170.50000111T170 Q171 L172 N177 K178T170-V174 WeakPolarHBondContact O-CG2 3.35Å; T170-V174 PolarHBondContact O-N 3.38Å; Q171-V174 WeakPolarHBondContact O-CB 3.3Å; Q171-V174 PolarHBondContact O-N 3.05Å; L172-V174 VanDerWaalsContact C-N 3.32Å; L172-V174 PolarHBondContact O-N 3.03Å; V174-N177 PolarHBondContact O-N 3.19Å; V174-K178 WeakPolarHBondContact O-CB 3.47Å; V174-K178 PolarHBondContact O-N 3.32Å
175W88.3Confident86.4Confident20 Ų2076.3 Ų76.38%0.07641%0.407CS..Hα-helixtrans-64.5-44.5175.9-73.1106.5000111.7D138 R141 K142 Q171 L172 N177 K178 Y179D138-W175 HydrophobicContact CB-CH2 4.37Å; D138-W175 HydrophobicContact CB-CZ2 4.22Å; D138-W175 WeakPolarHBondContact O-CH2 3.3Å; R141-W175 HydrophobicContact CB-CH2 3.96Å; R141-W175 HydrophobicContact CB-CZ2 3.77Å; R141-W175 HydrophobicContact CB-CZ3 4.42Å; K142-W175 HydrophobicContact CB-CZ3 4.41Å; K142-W175 HydrophobicContact CG-CH2 3.72Å; K142-W175 HydrophobicContact CG-CZ3 3.59Å; Q171-W175 PolarHBondContact O-N 3.12Å; L172-W175 PolarHBondContact O-N 3.41Å; L172-W175 VanDerWaalsContact O-N 3.17Å; W175-N177 PolarHBondContact O-N 3.14Å; W175-K178 HydrophobicContact CE3-CD 4.3Å; W175-K178 HydrophobicContact CZ3-CD 4.28Å; W175-K178 WeakPolarHBondContact O-CB 3.36Å; W175-K178 PolarHBondContact O-N 3.46Å; W175-Y179 HydrophobicContact CE3-CD2 4.41Å; W175-Y179 AromaticContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CZ3-CE2 4.04Å; W175-Y179 WeakPolarHBondContact O-CD2 3.47Å; W175-Y179 PolarHBondContact O-N 3.2Å; W175-Y179 VanDerWaalsContact O-N 3.16Å
176M87.5Confident85.6Confident10 Ų1081.8 Ų81.85%0.04943%0.431CS..Hα-helixtrans-57.7-49.3175.5-67.7168.768.500111.8L160 L172 K173 K178 Y179 G180 W181 E183 I189L160-M176 HydrophobicContact CD2-CG 4.47Å; L172-M176 HydrophobicContact CG-SD 4.09Å; L172-M176 VanDerWaalsContact O-CG 3.28Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 3.33Å; K173-M176 PolarHBondContact O-N 2.99Å; M176-K178 VanDerWaalsContact C-N 3.28Å; M176-K178 PolarHBondContact O-N 3.1Å; M176-Y179 CarbonylContact O-C 3.6Å; M176-Y179 PolarHBondContact O-N 3.01Å; M176-G180 PolarHBondContact O-N 3.16Å; M176-W181 HydrophobicContact CB-CB 4.28Å; M176-W181 HydrophobicContact CG-CE3 4.39Å; M176-W181 PolarHBondContact O-N 3.42Å; M176-E183 HydrophobicContact CE-CB 4.08Å; M176-I189 HydrophobicContact CE-CD1 3.76Å; M176-I189 HydrophobicContact CE-CG1 3.81Å; M176-I189 HydrophobicContact CE-CG2 4.03Å; M176-I189 HydrophobicContact CG-CD1 4.41Å; M176-I189 HydrophobicContact SD-CD1 3.85Å
177N88.9Confident85.2Confident128 Ų12877.4 Ų77.468%0.68441%0.413SS*.Hα-helixtrans-61.4-36.9178.5-73.7-26.6000112.5K173 V174 W175 Y179 G180K173-N177 WeakPolarHBondContact O-CB 3.25Å; K173-N177 PolarHBondContact O-N 2.93Å; K173-N177 PolarHBondContact O-ND2 3.34Å; V174-N177 PolarHBondContact O-N 3.19Å; W175-N177 PolarHBondContact O-N 3.14Å; N177-Y179 VanDerWaalsContact C-N 3.31Å; N177-Y179 PolarHBondContact O-N 3.32Å; N177-G180 PolarHBondContact O-N 3.41Å
178K90Very high85.2Confident123 Ų12380.5 Ų80.554%0.53543%0.426SS..Hα-helixtrans-65.9-34179.2-175.5177.5-177.81770112.8V174 W175 M176V174-K178 WeakPolarHBondContact O-CB 3.47Å; V174-K178 PolarHBondContact O-N 3.32Å; W175-K178 HydrophobicContact CE3-CD 4.3Å; W175-K178 HydrophobicContact CZ3-CD 4.28Å; W175-K178 WeakPolarHBondContact O-CB 3.36Å; W175-K178 PolarHBondContact O-N 3.46Å; M176-K178 VanDerWaalsContact C-N 3.28Å; M176-K178 PolarHBondContact O-N 3.1Å
179Y86.2Confident85.2Confident77 Ų7774.8 Ų74.830%0.30240%0.396SS..Hα-helixtrans-992179-73.6-97.6000113.2K142 C145 W175 M176 N177 W181K142-Y179 WeakPolarHBondContact CA-OH 3.41Å; K142-Y179 PolarHBondContact O-OH 3.15Å; C145-Y179 HydrophobicContact CB-CD1 4.16Å; C145-Y179 HydrophobicContact CB-CD2 3.99Å; C145-Y179 HydrophobicContact CB-CE1 3.7Å; C145-Y179 HydrophobicContact CB-CE2 3.55Å; C145-Y179 HydrophobicContact CB-CG 4.29Å; W175-Y179 HydrophobicContact CE3-CD2 4.41Å; W175-Y179 AromaticContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CZ3-CE2 4.04Å; W175-Y179 WeakPolarHBondContact O-CD2 3.47Å; W175-Y179 PolarHBondContact O-N 3.2Å; W175-Y179 VanDerWaalsContact O-N 3.16Å; M176-Y179 CarbonylContact O-C 3.6Å; M176-Y179 PolarHBondContact O-N 3.01Å; N177-Y179 VanDerWaalsContact C-N 3.31Å; N177-Y179 PolarHBondContact O-N 3.32Å; Y179-W181 VanDerWaalsContact C-N 3.34Å; Y179-W181 HydrophobicContact CD1-CZ2 4.37Å; Y179-W181 HydrophobicContact CG-CZ2 4.26Å
180G85.9Confident85.3Confident58 Ų5874.8 Ų74.860%0.59839%0.392SS*.THydrogen-bonded Turntrans71.824178.200000114.4M176 N177M176-G180 PolarHBondContact O-N 3.16Å; N177-G180 PolarHBondContact O-N 3.41Å
181W90.3Very high85.1Confident15 Ų1570.7 Ų70.76%0.05737%0.367CS..  trans-83.7138.1-178.6-58.6-20.6000111.7C145 V148 L160 M176 Y179 I189 F190 I191C145-W181 HydrophobicContact CB-CH2 3.86Å; C145-W181 HydrophobicContact CB-CZ2 4.43Å; V148-W181 HydrophobicContact CB-CH2 4.04Å; V148-W181 HydrophobicContact CB-CZ2 4.48Å; V148-W181 HydrophobicContact CG1-CH2 3.82Å; V148-W181 HydrophobicContact CG1-CZ2 4.2Å; V148-W181 HydrophobicContact CG1-CZ3 4.46Å; L160-W181 HydrophobicContact CD1-CH2 4.44Å; L160-W181 HydrophobicContact CD1-CZ3 3.87Å; L160-W181 HydrophobicContact CD2-CE3 3.96Å; L160-W181 HydrophobicContact CD2-CZ3 3.79Å; L160-W181 HydrophobicContact CG-CZ3 4.48Å; M176-W181 HydrophobicContact CB-CB 4.28Å; M176-W181 HydrophobicContact CG-CE3 4.39Å; M176-W181 PolarHBondContact O-N 3.42Å; Y179-W181 VanDerWaalsContact C-N 3.34Å; Y179-W181 HydrophobicContact CD1-CZ2 4.37Å; Y179-W181 HydrophobicContact CG-CZ2 4.26Å; W181-I189 HydrophobicContact CB-CG2 3.67Å; W181-I189 HydrophobicContact CG-CG2 4.38Å; W181-F190 WeakPolarHBondContact CA-O 3.44Å; W181-I191 HydrophobicContact CB-CD1 4.32Å; W181-I191 HydrophobicContact CD2-CD1 3.33Å; W181-I191 VanDerWaalsContact CE2-CD1 3.48Å; W181-I191 HydrophobicContact CE3-CD1 3.68Å; W181-I191 HydrophobicContact CG-CD1 3.65Å; W181-I191 HydrophobicContact CH2-CD1 4.2Å; W181-I191 HydrophobicContact CZ2-CD1 3.92Å; W181-I191 HydrophobicContact CZ2-CG2 4.26Å; W181-I191 HydrophobicContact CZ3-CD1 4.11Å
182T85.7Confident84.6Confident78 Ų7870.8 Ų70.848%0.47936%0.364SS..EExtended strand (participates in β ladder)trans-116.5139.6-176.854.80000111.2I189 F190T182-I189 CarbonylContact O-C 3.57Å; T182-I189 WeakPolarHBondContact O-CA 3.31Å; T182-F190 PolarHBondContact N-O 3.13Å; T182-F190 PolarHBondContact O-N 3.32Å
183E85.8Confident83.8Confident87 Ų8773.8 Ų73.841%0.40738%0.38SS..EExtended strand (participates in β ladder)trans-88.9131.4175.7-171.3168.3-153.300110.7R157 M176R157-E183 WeakPolarHBondContact CD-OE1 3.4Å; R157-E183 IonicContact CZ-OE1 2.73Å; R157-E183 IonicContact CZ-OE2 3.49Å; R157-E183 IonicContact NE-OE1 3.57Å; R157-E183 IonicContact NH1-OE1 2.73Å; R157-E183 PolarHBondContact NH1-OE1 3.08Å; R157-E183 IonicContact NH1-OE2 3.2Å; R157-E183 PolarHBondContact NH1-OE2 3.31Å; M176-E183 HydrophobicContact CE-CB 4.08Å
184N83.3Confident82.5Confident67 Ų6773.1 Ų73.136%0.35838%0.379SS..  trans-88.5163.6174.3-66-11.7000110.7D186 G187 Q188N184-D186 PolarHBondContact O-N 3.06Å; N184-D186 VanDerWaalsContact O-N 3.12Å; N184-G187 PolarHBondContact O-N 3.08Å; N184-Q188 WeakPolarHBondContact CB-O 3.11Å; N184-Q188 PolarHBondContact N-O 3.33Å
185E73.3Confident80.8Confident204 Ų20476.5 Ų76.595%0.95339%0.388SS*.THydrogen-bonded Turntrans-60.1-24.2-178.6-62.7-174.3166.900113.5G187E185-G187 VanDerWaalsContact C-N 3.29Å; E185-G187 PolarHBondContact O-N 3.09Å
186D74.3Confident79.2Confident142 Ų14282.8 Ų82.876%0.75942%0.418SS*.THydrogen-bonded Turntrans-825.4177.5-63.1-82.8000114.7N184 Q188N184-D186 PolarHBondContact O-N 3.06Å; N184-D186 VanDerWaalsContact O-N 3.12Å; D186-Q188 VanDerWaalsContact C-N 3.28Å; D186-Q188 PolarHBondContact O-N 3.11Å
187G78Confident77.4Confident25 Ų2583.8 Ų83.826%0.25843%0.427SS..SBendtrans77.412.7-177.300000114.2R157 N184 E185R157-G187 WeakPolarHBondContact CB-O 3.43Å; R157-G187 PolarHBondContact N-O 3.13Å; N184-G187 PolarHBondContact O-N 3.08Å; E185-G187 VanDerWaalsContact C-N 3.29Å; E185-G187 PolarHBondContact O-N 3.09Å
188Q85.9Confident75.8Confident83 Ų8385.4 Ų85.439%0.38843%0.433SS..EExtended strand (participates in β ladder)trans-94.7141.3174.1-64.8-172.7-20.700111N184 D186N184-Q188 WeakPolarHBondContact CB-O 3.11Å; N184-Q188 PolarHBondContact N-O 3.33Å; D186-Q188 VanDerWaalsContact C-N 3.28Å; D186-Q188 PolarHBondContact O-N 3.11Å
189I86Confident74.2Confident0 Ų087.7 Ų87.70%044%0.443CS..EExtended strand (participates in β ladder)trans-97.1119.3176.6-59.4173.5000108.4T154 I155 R157 L160 M176 W181 T182 I191T154-I189 CarbonylContact C-O 3.55Å; T154-I189 VanDerWaalsContact CA-O 3.24Å; T154-I189 WeakPolarHBondContact CA-O 3.49Å; I155-I189 HydrophobicContact CG2-CB 3.94Å; I155-I189 HydrophobicContact CG2-CG2 4.46Å; I155-I189 PolarHBondContact N-O 2.88Å; I155-I189 PolarHBondContact O-N 3.13Å; R157-I189 HydrophobicContact CB-CD1 4.22Å; R157-I189 HydrophobicContact CB-CG1 4.43Å; R157-I189 HydrophobicContact CG-CD1 4.29Å; L160-I189 HydrophobicContact CB-CD1 4.26Å; L160-I189 HydrophobicContact CD2-CD1 3.36Å; L160-I189 HydrophobicContact CG-CD1 4.43Å; M176-I189 HydrophobicContact CE-CD1 3.76Å; M176-I189 HydrophobicContact CE-CG1 3.81Å; M176-I189 HydrophobicContact CE-CG2 4.03Å; M176-I189 HydrophobicContact CG-CD1 4.41Å; M176-I189 HydrophobicContact SD-CD1 3.85Å; W181-I189 HydrophobicContact CB-CG2 3.67Å; W181-I189 HydrophobicContact CG-CG2 4.38Å; T182-I189 CarbonylContact O-C 3.57Å; T182-I189 WeakPolarHBondContact O-CA 3.31Å; I189-I191 HydrophobicContact CG2-CD1 3.81Å
190F85.9Confident72.9Confident76 Ų7690 Ų9033%0.33347%0.468SS..EExtended strand (participates in β ladder)trans-78.6123170.4-178.1-98.3000110T154 W181 T182 N193T154-F190 HydrophobicContact CG2-CD2 4.05Å; W181-F190 WeakPolarHBondContact CA-O 3.44Å; T182-F190 PolarHBondContact N-O 3.13Å; T182-F190 PolarHBondContact O-N 3.32Å; F190-N193 HydrophobicContact CZ-CB 4.09Å
191I83.4Confident71.7Confident13 Ų1392.3 Ų92.37%0.06746%0.461CS..  trans-99.6-62.2-175.8-56.9-62000109.4V148 Y152 Q153 I155 W181 I189V148-I191 HydrophobicContact CG1-CD1 4.04Å; V148-I191 HydrophobicContact CG1-CG1 4.31Å; Y152-I191 WeakPolarHBondContact O-CB 3.45Å; Y152-I191 WeakPolarHBondContact O-CG2 3.37Å; Q153-I191 WeakPolarHBondContact O-CB 3.44Å; Q153-I191 PolarHBondContact O-N 3.43Å; I155-I191 HydrophobicContact CG2-CD1 3.81Å; I155-I191 HydrophobicContact CG2-CG1 4.01Å; W181-I191 HydrophobicContact CB-CD1 4.32Å; W181-I191 HydrophobicContact CD2-CD1 3.33Å; W181-I191 VanDerWaalsContact CE2-CD1 3.48Å; W181-I191 HydrophobicContact CE3-CD1 3.68Å; W181-I191 HydrophobicContact CG-CD1 3.65Å; W181-I191 HydrophobicContact CH2-CD1 4.2Å; W181-I191 HydrophobicContact CZ2-CD1 3.92Å; W181-I191 HydrophobicContact CZ2-CG2 4.26Å; W181-I191 HydrophobicContact CZ3-CD1 4.11Å; I189-I191 HydrophobicContact CG2-CD1 3.81Å
192Y74.7Confident70.5Confident87 Ų8796.7 Ų96.734%0.34149%0.486SS..  trans-166.1147.7-176.2-168.6-106.5000111.2Q153 E196Q153-Y192 VanDerWaalsContact CA-O 3.29Å; Q153-Y192 WeakPolarHBondContact CA-O 3.34Å; Q153-Y192 PolarHBondContact O-N 3.34Å; Y192-E196 HydrophobicContact CE1-CB 4.1Å; Y192-E196 VanDerWaalsContact CZ-OE2 3.31Å; Y192-E196 WeakPolarHBondContact OH-CB 3.48Å; Y192-E196 PolarHBondContact OH-OE2 3.11Å
193N70Confident69.5Low67 Ų6795.8 Ų95.836%0.35848%0.478SS..  trans-85115.6174.3-171.6-11.7000110.3F190 E195 E196F190-N193 HydrophobicContact CZ-CB 4.09Å; N193-E195 PolarHBondContact O-N 3.01Å; N193-E195 PolarHBondContact OD1-N 3.2Å; N193-E195 VanDerWaalsContact OD1-N 3.13Å; N193-E196 PolarHBondContact O-N 3.45Å
194Q58.5Low68.3Low82 Ų8293.7 Ų93.738%0.38347%0.471SS..G310 helixtrans-66.3-15-178-87174.7-400114.2Q153 E196 S197Q153-Q194 HydrophobicContact CG-CB 3.89Å; Q153-Q194 HydrophobicContact CG-CG 3.57Å; Q194-E196 PolarHBondContact O-N 3.24Å; Q194-S197 CarbonylContact O-C 3.58Å; Q194-S197 PolarHBondContact O-N 2.99Å; Q194-S197 VanDerWaalsContact O-N 3.1Å
195E56Low67.5Low164 Ų16495 Ų9577%0.76648%0.475SS*.G310 helixtrans-62.9-24.3176.5-70.2-170149.100113N193N193-E195 PolarHBondContact O-N 3.01Å; N193-E195 PolarHBondContact OD1-N 3.2Å; N193-E195 VanDerWaalsContact OD1-N 3.13Å
196E52.7Low67.3Low152 Ų15293.3 Ų93.371%0.7146%0.464SS*.G310 helixtrans-78.8-14175.8-100-176164.700113.9Y192 N193 Q194Y192-E196 HydrophobicContact CE1-CB 4.1Å; Y192-E196 VanDerWaalsContact CZ-OE2 3.31Å; Y192-E196 WeakPolarHBondContact OH-CB 3.48Å; Y192-E196 PolarHBondContact OH-OE2 3.11Å; N193-E196 PolarHBondContact O-N 3.45Å; Q194-E196 PolarHBondContact O-N 3.24Å
197S51.2Low66.9Low32 Ų3289.3 Ų89.322%0.22444%0.442CS..  trans-144.178.5-177.773.30000113.8Q194 K199Q194-S197 CarbonylContact O-C 3.58Å; Q194-S197 PolarHBondContact O-N 2.99Å; Q194-S197 VanDerWaalsContact O-N 3.1Å; S197-K199 PolarHBondContact O-N 3.27Å
198I53.8Low66.7Low161 Ų16191.7 Ų91.783%0.82645%0.449SS*.  trans-70.57.4169.9-53163000111.8
199K58.2Low66Low171 Ų17195.9 Ų95.974%0.74347%0.466SS*.SBendtrans-86.9127.6-179-64.4-173.6-178.2178.50110S197 K201S197-K199 PolarHBondContact O-N 3.27Å; K199-K201 PolarHBondContact O-N 2.91Å
200P57.1Low65.3Low126 Ų126103 Ų10382%0.81850%0.5SS*.PPolyproline II helixtrans-60.2122.8174.225.7-32.9000109.4
201K60.9Low64.4Low106 Ų106101.5 Ų101.546%0.46150%0.498SS..PPolyproline II helixtrans-102.6128.1173.4-67.3178.2-176.3169.70108.1I150 K199I150-K201 HydrophobicContact CD1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CD 4.17Å; I150-K201 HydrophobicContact CG2-CB 3.76Å; I150-K201 HydrophobicContact CG2-CD 4.42Å; K199-K201 PolarHBondContact O-N 2.91Å
202N66.1Low63.9Low108 Ų108102.6 Ų102.658%0.57851%0.506SS*.PPolyproline II helixtrans-75.9132.5175.1-67.1-48.1000109.2
203I64Low63.7Low58 Ų58100.2 Ų100.230%0.29750%0.502SS..SBendtrans-77.3-32.2179.9-62.5171.2000111P79 V147 I150 T151P79-I203 WeakPolarHBondContact CB-O 3.42Å; V147-I203 HydrophobicContact CB-CG2 4.33Å; V147-I203 HydrophobicContact CG1-CG2 3.87Å; V147-I203 HydrophobicContact CG2-CG2 3.7Å; I150-I203 HydrophobicContact CG2-CG1 4.44Å; T151-I203 HydrophobicContact CG2-CD1 3.74Å; T151-I203 HydrophobicContact CG2-CG1 4.36Å
204V60.6Low63.8Low43 Ų43100.9 Ų100.926%0.26151%0.512SS..SBendtrans-131.7142.2176.1-174.90000107.8
205E66.6Low64.3Low95 Ų9598.5 Ų98.544%0.44450%0.501SS..PPolyproline II helixtrans-62139.1173.2-74.4-175.8165.900110.3P79 H80 T81P79-E205 PolarHBondContact O-N 3.09Å; P79-E205 VanDerWaalsContact O-N 3.11Å; H80-E205 IonicContact CE1-OE1 3.67Å; H80-E205 PolarHBondContact CE1-OE1 3.41Å; H80-E205 IonicContact CE1-OE2 2.72Å; H80-E205 IonicContact CG-OE2 3.31Å; H80-E205 IonicContact ND1-OE1 3.18Å; H80-E205 PolarHBondContact ND1-OE1 3.47Å; H80-E205 IonicContact ND1-OE2 3.92Å; H80-E205 PolarHBondContact ND1-OE2 3.45Å; T81-E205 HydrophobicContact CG2-CB 3.54Å; T81-E205 WeakPolarHBondContact CG2-O 3.3Å
206K69.8Low65Low168 Ų16896.2 Ų96.273%0.7349%0.492SS*.PPolyproline II helixtrans-90130.5175.6-69.9-173.2-179.7-178.90108.7D208K206-D208 PolarHBondContact O-N 3.36Å
207I65.5Low65.6Low59 Ų5992.6 Ų92.630%0.30349%0.488SS..PPolyproline II helixtrans-69.6129.1169.8-67.1-178.7000109.3T81 T84 L85 V212T81-I207 VanDerWaalsContact CB-CG1 3.43Å; T81-I207 HydrophobicContact CG2-CD1 4.42Å; T81-I207 HydrophobicContact CG2-CG1 3.46Å; T81-I207 VanDerWaalsContact CG2-CG1 3.46Å; T84-I207 HydrophobicContact CG2-CD1 3.43Å; T84-I207 VanDerWaalsContact CG2-CD1 3.43Å; L85-I207 HydrophobicContact CD2-CD1 4.16Å; L85-I207 HydrophobicContact CG-CD1 4.44Å; I207-V212 HydrophobicContact CG2-CG2 3.13Å
208D73.2Confident65.9Low75 Ų7593.7 Ų93.740%0.40149%0.493SS..PPolyproline II helixtrans-102.3165.8169.869.7-27.6000111.5K206 E210 S211 V212K206-D208 PolarHBondContact O-N 3.36Å; D208-E210 PolarHBondContact O-N 3.45Å; D208-S211 PolarHBondContact O-N 2.79Å; D208-S211 WeakPolarHBondContact OD1-CB 3.47Å; D208-S211 PolarHBondContact OD1-N 3.21Å; D208-S211 VanDerWaalsContact OD1-N 3.13Å; D208-S211 PolarHBondContact OD1-OG 2.99Å; D208-V212 PolarHBondContact O-N 3.01Å
209F71.9Confident65.6Low171 Ų17188.1 Ų88.175%0.7547%0.469SS*.Hα-helixtrans-62.1-32.3-179.2-179.9-97000112.1V212 S213F209-V212 PolarHBondContact O-N 3.07Å; F209-S213 WeakPolarHBondContact O-CA 3.38Å; F209-S213 WeakPolarHBondContact O-CB 3.46Å; F209-S213 PolarHBondContact O-N 3.09Å; F209-S213 PolarHBondContact O-OG 2.83Å
210E71.9Confident64.7Low149 Ų14992 Ų9270%0.69649%0.49SS*.Hα-helixtrans-65.8-42.7178.9-63.1-172.217600111.6D208 V212 S213 S214D208-E210 PolarHBondContact O-N 3.45Å; E210-V212 PolarHBondContact O-N 2.98Å; E210-S213 WeakPolarHBondContact CA-OG 3.32Å; E210-S213 PolarHBondContact O-OG 3.26Å; E210-S214 PolarHBondContact O-N 3.25Å; E210-S214 VanDerWaalsContact O-N 3.15Å
211S67.4Low65.1Low44 Ų4490.3 Ų90.331%0.30847%0.473SS..Hα-helixtrans-58.9-45.7175.3-64.10000112.1D208 S214D208-S211 PolarHBondContact O-N 2.79Å; D208-S211 WeakPolarHBondContact OD1-CB 3.47Å; D208-S211 PolarHBondContact OD1-N 3.21Å; D208-S211 VanDerWaalsContact OD1-N 3.13Å; D208-S211 PolarHBondContact OD1-OG 2.99Å; S211-S214 PolarHBondContact O-OG 3.36Å
212V71.4Confident65.3Low37 Ų3789.5 Ų89.522%0.22447%0.474CS..Hα-helixtrans-74-44.1-179.1-178.30000112I207 D208 F209 E210 S214 I215 M216I207-V212 HydrophobicContact CG2-CG2 3.13Å; D208-V212 PolarHBondContact O-N 3.01Å; F209-V212 PolarHBondContact O-N 3.07Å; E210-V212 PolarHBondContact O-N 2.98Å; V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.93Å; V212-I215 PolarHBondContact O-N 2.77Å; V212-I215 VanDerWaalsContact O-N 3.13Å; V212-M216 HydrophobicContact CG1-CG 3.73Å; V212-M216 HydrophobicContact CG1-SD 3.32Å; V212-M216 WeakPolarHBondContact CG1-SD 3.37Å; V212-M216 WeakPolarHBondContact O-CB 3.45Å; V212-M216 WeakPolarHBondContact O-CG 3.48Å; V212-M216 PolarHBondContact O-N 3.16Å
213S72Confident65.3Low37 Ų3788.4 Ų88.426%0.25947%0.468SS..Hα-helixtrans-63.9-35.1-175.461.10000111.8F209 E210 I215 M216 A217F209-S213 WeakPolarHBondContact O-CA 3.38Å; F209-S213 WeakPolarHBondContact O-CB 3.46Å; F209-S213 PolarHBondContact O-N 3.09Å; F209-S213 PolarHBondContact O-OG 2.83Å; E210-S213 WeakPolarHBondContact CA-OG 3.32Å; E210-S213 PolarHBondContact O-OG 3.26Å; S213-I215 VanDerWaalsContact C-N 3.26Å; S213-I215 PolarHBondContact O-N 2.65Å; S213-M216 PolarHBondContact O-N 3.12Å; S213-A217 WeakPolarHBondContact O-CA 3.03Å; S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.82Å
214S71Confident65.3Low80 Ų8090.2 Ų90.256%0.55948%0.478SS*.Hα-helixtrans-60.4-36.9175.674.20000112.8E210 S211 V212E210-S214 PolarHBondContact O-N 3.25Å; E210-S214 VanDerWaalsContact O-N 3.15Å; S211-S214 PolarHBondContact O-OG 3.36Å; V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.93Å
215I68.9Low65.6Low33 Ų3393.2 Ų93.217%0.16949%0.492CS..Hα-helixtrans-81.5-42.5-179.2-62.4164.4000110.3L49 L85 M89 V212 S213 T218L49-I215 HydrophobicContact CD1-CD1 3.85Å; L49-I215 HydrophobicContact CD1-CG1 4.4Å; L85-I215 HydrophobicContact CB-CD1 4.4Å; L85-I215 HydrophobicContact CD1-CD1 3.83Å; L85-I215 HydrophobicContact CD2-CD1 3.72Å; L85-I215 HydrophobicContact CG-CD1 4.19Å; M89-I215 HydrophobicContact CE-CG2 4.27Å; M89-I215 HydrophobicContact CG-CG2 4.38Å; M89-I215 HydrophobicContact SD-CG2 3.49Å; M89-I215 WeakPolarHBondContact SD-CG2 3.38Å; V212-I215 PolarHBondContact O-N 2.77Å; V212-I215 VanDerWaalsContact O-N 3.13Å; S213-I215 VanDerWaalsContact C-N 3.26Å; S213-I215 PolarHBondContact O-N 2.65Å; I215-T218 PolarHBondContact O-OG1 3.43Å; I215-T218 VanDerWaalsContact O-OG1 3.12Å
216M70.1Confident65.6Low116 Ų11693.1 Ų93.157%0.57150%0.495SS*.Hα-helixtrans-77.7-27.3-178.1-69.9-169.475.100114.4V212 S213 T218 S219V212-M216 HydrophobicContact CG1-CG 3.73Å; V212-M216 HydrophobicContact CG1-SD 3.32Å; V212-M216 WeakPolarHBondContact CG1-SD 3.37Å; V212-M216 WeakPolarHBondContact O-CB 3.45Å; V212-M216 WeakPolarHBondContact O-CG 3.48Å; V212-M216 PolarHBondContact O-N 3.16Å; S213-M216 PolarHBondContact O-N 3.12Å; M216-T218 PolarHBondContact O-N 2.92Å; M216-S219 PolarHBondContact O-N 2.78Å
217A66.1Low65.3Low76 Ų7687.7 Ų87.763%0.62848%0.478SS*.THydrogen-bonded Turntrans-59.2-15.8-179.800000113.2S213S213-A217 WeakPolarHBondContact O-CA 3.03Å; S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.82Å
218T58.5Low65.3Low54 Ų5489.9 Ų89.933%0.33149%0.492SS..THydrogen-bonded Turntrans-108.810.1-179.342.40000112.2K53 F57 I215 M216K53-T218 WeakPolarHBondContact CE-O 3.1Å; K53-T218 PolarHBondContact NZ-O 2.95Å; K53-T218 PolarHBondContact NZ-OG1 2.79Å; F57-T218 WeakPolarHBondContact CZ-O 3.5Å; I215-T218 PolarHBondContact O-OG1 3.43Å; I215-T218 VanDerWaalsContact O-OG1 3.12Å; M216-T218 PolarHBondContact O-N 2.92Å
219S47.7Very low64.6Low45 Ų4591.2 Ų91.232%0.31550%0.499SS..  trans-108.413.1175.2-61.90000113.1M216M216-S219 PolarHBondContact O-N 2.78Å
220Q38.4Very low63.9Low252 Ų25283.9 Ų83.9100%1.17848%0.476SS*.  trans-104.20169.7-77.7-170.9-0.200111.4

Retrieved 220 of 220 residues in 189.1 ms (Link to these results)