A0A087XED3_POEFO Loading...

Nucleolar protein 58

Required for the biogenesis of box C/D snoRNAs such as U3, U8 and U14 snoRNAs. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome. Core component of box C/D small nucleolar ribonucleoprotein (snoRNP) complexes that function in methylation of multiple sites on ribosomal RNAs (rRNAs) and messenger RNAs (mRNAs).

AlphaFold DB , UniProt , Accession A0A087XED3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 543 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
1M77.6Confident85.9Confident17 Ų1713.5 Ų13.58%0.0848%0.075CC..  01390-175.9-1807300108.7V3 V16 E19 L22 E86 Q87 A89 L116M1-V3 HydrophobicContact CE-CG2 4.27Å; M1-V16 HydrophobicContact CB-CG2 4.44Å; M1-V16 HydrophobicContact CE-CG2 3.71Å; M1-V16 PolarHBondContact O-N 2.9Å; M1-E19 WeakPolarHBondContact CA-OE1 3.43Å; M1-E19 WeakPolarHBondContact CB-OE1 3.16Å; M1-E19 PolarHBondContact N-OE1 3.37Å; M1-L22 HydrophobicContact CE-CD1 3.44Å; M1-L22 VanDerWaalsContact CE-CD1 3.44Å; M1-E86 WeakPolarHBondContact CA-OE2 3.46Å; M1-E86 PolarHBondContact N-OE2 3.49Å; M1-Q87 HydrophobicContact CG-CB 4.35Å; M1-Q87 WeakPolarHBondContact CG-O 3.48Å; M1-A89 HydrophobicContact CE-CB 3.95Å; M1-A89 HydrophobicContact CG-CB 4.47Å; M1-A89 HydrophobicContact SD-CB 3.95Å; M1-L116 HydrophobicContact CE-CD2 4.36Å
2L85.2Confident86.1Confident11 Ų1112.4 Ų12.46%0.0587%0.069CC..EExtended strand (participates in β ladder)trans-100.5147.3174.7-62.2176.7000110.8I13 F14 K15 K45 V79 E86 Q87 L88 A89L2-I13 HydrophobicContact CB-CG2 4.45Å; L2-I13 HydrophobicContact CD2-CG2 4.35Å; L2-F14 CarbonylContact C-O 3.57Å; L2-F14 WeakPolarHBondContact CA-O 3.4Å; L2-K15 HydrophobicContact CD2-CB 4.01Å; L2-K15 HydrophobicContact CD2-CD 4.42Å; L2-K15 HydrophobicContact CD2-CG 4.1Å; L2-K45 HydrophobicContact CD2-CD 3.85Å; L2-V79 HydrophobicContact CD1-CG1 3.87Å; L2-E86 HydrophobicContact CD1-CB 4.49Å; L2-E86 HydrophobicContact CG-CB 4.27Å; L2-Q87 PolarHBondContact N-O 2.91Å; L2-L88 HydrophobicContact CB-CD1 3.88Å; L2-A89 PolarHBondContact O-N 3.08Å
3V86.6Confident86.2Confident0 Ų011.6 Ų11.60%07%0.065CC..EExtended strand (participates in β ladder)trans-122.7119.8178.3-171.80000108.9M1 I13 F14 V16 A89 L116 M117 I120M1-V3 HydrophobicContact CE-CG2 4.27Å; V3-I13 WeakPolarHBondContact O-CA 3.4Å; V3-F14 HydrophobicContact CB-CB 4.36Å; V3-F14 PolarHBondContact N-O 3.33Å; V3-F14 PolarHBondContact O-N 3.2Å; V3-V16 HydrophobicContact CG2-CG2 3.61Å; V3-A89 HydrophobicContact CG1-CB 4.43Å; V3-A89 HydrophobicContact CG2-CB 4.21Å; V3-L116 HydrophobicContact CG2-CD2 3.86Å; V3-M117 HydrophobicContact CG1-CE 3.39Å; V3-M117 HydrophobicContact CG1-SD 3.7Å; V3-I120 HydrophobicContact CG1-CD1 3.9Å
4L87.6Confident86.3Confident3 Ų310.8 Ų10.82%0.0166%0.06CC..EExtended strand (participates in β ladder)trans-87.2109173.5175.764000109.5Y11 I13 L72 L88 A89 I90 I99 M117L4-Y11 HydrophobicContact CD1-CD1 4.3Å; L4-I13 HydrophobicContact CD1-CD1 4.48Å; L4-I13 HydrophobicContact CD1-CG1 4.05Å; L4-L72 HydrophobicContact CD1-CD1 3.99Å; L4-L72 HydrophobicContact CD2-CD1 3.91Å; L4-L72 HydrophobicContact CD2-CD2 4.43Å; L4-L88 HydrophobicContact CB-CD1 4.19Å; L4-A89 PolarHBondContact N-O 3.42Å; L4-A89 VanDerWaalsContact N-O 3.09Å; L4-I90 HydrophobicContact CB-CG1 4.44Å; L4-I99 HydrophobicContact CD2-CD1 4.31Å; L4-M117 WeakPolarHBondContact O-CE 3.5Å
5F87.9Confident86.2Confident9 Ų913.5 Ų13.54%0.0397%0.071CC..EExtended strand (participates in β ladder)trans-110.6132.9177.2-174.3-112.2000111.2T7 A12 F14 M117 I120 R121 M124F5-T7 HydrophobicContact CD1-CG2 3.79Å; F5-T7 HydrophobicContact CE1-CG2 3.45Å; F5-T7 VanDerWaalsContact CE1-CG2 3.45Å; F5-T7 HydrophobicContact CZ-CG2 4.34Å; F5-A12 HydrophobicContact CB-CB 4.3Å; F5-A12 HydrophobicContact CD1-CB 4.35Å; F5-A12 PolarHBondContact N-O 2.94Å; F5-A12 PolarHBondContact O-N 3.24Å; F5-A12 VanDerWaalsContact O-O 3.08Å; F5-F14 HydrophobicContact CB-CD2 4.06Å; F5-F14 HydrophobicContact CB-CE2 3.88Å; F5-F14 HydrophobicContact CD1-CE2 4.09Å; F5-F14 HydrophobicContact CG-CE2 4.27Å; F5-M117 HydrophobicContact CD2-SD 3.84Å; F5-I120 HydrophobicContact CB-CG2 4.33Å; F5-I120 HydrophobicContact CD1-CG2 3.65Å; F5-I120 HydrophobicContact CD2-CG2 3.84Å; F5-I120 HydrophobicContact CE1-CG2 3.86Å; F5-I120 HydrophobicContact CE2-CG2 4.07Å; F5-I120 HydrophobicContact CG-CG2 3.64Å; F5-I120 HydrophobicContact CZ-CG2 4.1Å; F5-R121 HydrophobicContact CE2-CG 3.7Å; F5-R121 HydrophobicContact CZ-CG 3.5Å; F5-R121 VanDerWaalsContact CZ-CG 3.5Å; F5-M124 HydrophobicContact CE1-CE 3.89Å; F5-M124 HydrophobicContact CE1-CG 4.18Å; F5-M124 HydrophobicContact CE1-SD 4.08Å; F5-M124 HydrophobicContact CZ-CE 3.76Å
6E86.8Confident86Confident47 Ų4712.9 Ų12.922%0.227%0.068CC..EExtended strand (participates in β ladder)trans-111132.7-172.4-56.3-173.1131.300110.6Y11 L63E6-Y11 HydrophobicContact CG-CD1 4.05Å; E6-Y11 HydrophobicContact CG-CE1 4.04Å; E6-Y11 WeakPolarHBondContact OE1-CE1 3.39Å; E6-L63 VanDerWaalsContact OE2-CD1 3.23Å; E6-L63 WeakPolarHBondContact OE2-CD1 3.41Å; E6-L63 VanDerWaalsContact OE2-CD2 3.25Å; E6-L63 WeakPolarHBondContact OE2-CD2 3.17Å
7T86.9Confident85.6Confident24 Ų2416.9 Ų16.915%0.1479%0.089CC..EExtended strand (participates in β ladder)trans-132.9161.9179.871.70000110.9F5 A9 G10 M124 I128F5-T7 HydrophobicContact CD1-CG2 3.79Å; F5-T7 HydrophobicContact CE1-CG2 3.45Å; F5-T7 VanDerWaalsContact CE1-CG2 3.45Å; F5-T7 HydrophobicContact CZ-CG2 4.34Å; T7-A9 PolarHBondContact O-N 3.13Å; T7-A9 VanDerWaalsContact O-N 3.15Å; T7-A9 PolarHBondContact OG1-N 2.95Å; T7-G10 PolarHBondContact N-O 3.41Å; T7-G10 PolarHBondContact O-N 2.96Å; T7-G10 PolarHBondContact OG1-N 3.13Å; T7-G10 VanDerWaalsContact OG1-N 3.08Å; T7-G10 PolarHBondContact OG1-O 3.39Å; T7-M124 HydrophobicContact CG2-SD 3.94Å; T7-I128 HydrophobicContact CG2-CD1 3.94Å
8A84.6Confident84.9Confident24 Ų2419.3 Ų19.320%0.19810%0.102CC..THydrogen-bonded Turntrans-62.1-17.9172.600000113.6L143A8-L143 HydrophobicContact CB-CD2 3.95Å
9A85Confident84.1Confident3 Ų323.9 Ų23.93%0.02512%0.123CC..THydrogen-bonded Turntrans-95.2-18.1-179.900000113.9T7 F47 K49 F50 L131 M139T7-A9 PolarHBondContact O-N 3.13Å; T7-A9 VanDerWaalsContact O-N 3.15Å; T7-A9 PolarHBondContact OG1-N 2.95Å; A9-F47 HydrophobicContact CB-CZ 4.24Å; A9-K49 CarbonylContact O-C 3.53Å; A9-K49 WeakPolarHBondContact O-CA 3.3Å; A9-K49 WeakPolarHBondContact O-CG 3.37Å; A9-F50 PolarHBondContact O-N 2.85Å; A9-L131 HydrophobicContact CB-CD1 3.67Å; A9-M139 HydrophobicContact CB-SD 3.65Å
10G87.6Confident83.2Confident0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans157.6-176.7-173.900000114.9T7 E48T7-G10 PolarHBondContact N-O 3.41Å; T7-G10 PolarHBondContact O-N 2.96Å; T7-G10 PolarHBondContact OG1-N 3.13Å; T7-G10 VanDerWaalsContact OG1-N 3.08Å; T7-G10 PolarHBondContact OG1-O 3.39Å; G10-E48 VanDerWaalsContact CA-O 3.23Å; G10-E48 WeakPolarHBondContact CA-O 3.42Å
11Y88.7Confident82.2Confident11 Ų1129 Ų294%0.04315%0.154CC..EExtended strand (participates in β ladder)trans-94.3121.4175.8-65.2-66.9000110.9L4 E6 F47 E48 F50 L72 V75L4-Y11 HydrophobicContact CD1-CD1 4.3Å; E6-Y11 HydrophobicContact CG-CD1 4.05Å; E6-Y11 HydrophobicContact CG-CE1 4.04Å; E6-Y11 WeakPolarHBondContact OE1-CE1 3.39Å; Y11-F47 WeakPolarHBondContact O-CA 3.46Å; Y11-E48 PolarHBondContact N-O 3.44Å; Y11-E48 PolarHBondContact O-N 3.34Å; Y11-F50 AromaticContact CD2-CE1 3.9Å; Y11-F50 HydrophobicContact CD2-CE1 3.9Å; Y11-F50 AromaticContact CD2-CZ 3.95Å; Y11-F50 HydrophobicContact CD2-CZ 3.95Å; Y11-F50 AromaticContact CE2-CE1 3.56Å; Y11-F50 HydrophobicContact CE2-CE1 3.56Å; Y11-F50 AromaticContact CE2-CZ 3.61Å; Y11-F50 HydrophobicContact CE2-CZ 3.61Å; Y11-F50 AromaticContact CZ-CZ 3.93Å; Y11-L72 HydrophobicContact CD1-CD1 4.04Å; Y11-L72 HydrophobicContact CD2-CD1 4.47Å; Y11-L72 HydrophobicContact CE1-CB 4.42Å; Y11-L72 HydrophobicContact CE1-CD1 3.98Å; Y11-L72 HydrophobicContact CE1-CD2 4.38Å; Y11-L72 HydrophobicContact CE1-CG 4.49Å; Y11-L72 HydrophobicContact CE2-CB 3.9Å; Y11-L72 HydrophobicContact CE2-CD1 4.39Å; Y11-L72 HydrophobicContact CG-CD1 4.29Å; Y11-V75 HydrophobicContact CD2-CG2 3.83Å; Y11-V75 HydrophobicContact CG-CG2 4.44Å
12A88.4Confident81.5Confident0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-101.9133.8171.800000110F5 F14 L44 F47 I128F5-A12 HydrophobicContact CB-CB 4.3Å; F5-A12 HydrophobicContact CD1-CB 4.35Å; F5-A12 PolarHBondContact N-O 2.94Å; F5-A12 PolarHBondContact O-N 3.24Å; F5-A12 VanDerWaalsContact O-O 3.08Å; A12-F14 HydrophobicContact CB-CD2 4.43Å; A12-F14 HydrophobicContact CB-CE2 3.73Å; A12-F14 HydrophobicContact CB-CZ 4.11Å; A12-L44 HydrophobicContact CB-CD1 4.15Å; A12-F47 HydrophobicContact CB-CD2 3.9Å; A12-F47 HydrophobicContact CB-CE2 4.42Å; A12-I128 HydrophobicContact CB-CD1 4.3Å
13I87.7Confident80.4Confident2 Ų237 Ų371%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-119.3112.9172.5-65.4172.4000108.4L2 V3 L4 K45 H46 V75 V79L2-I13 HydrophobicContact CB-CG2 4.45Å; L2-I13 HydrophobicContact CD2-CG2 4.35Å; V3-I13 WeakPolarHBondContact O-CA 3.4Å; L4-I13 HydrophobicContact CD1-CD1 4.48Å; L4-I13 HydrophobicContact CD1-CG1 4.05Å; I13-K45 WeakPolarHBondContact O-CB 3.38Å; I13-K45 PolarHBondContact O-N 3.13Å; I13-H46 PolarHBondContact N-O 3.17Å; I13-H46 PolarHBondContact O-N 3.36Å; I13-V75 HydrophobicContact CD1-CG1 3.69Å; I13-V79 HydrophobicContact CD1-CB 4.39Å; I13-V79 HydrophobicContact CD1-CG2 3.88Å; I13-V79 HydrophobicContact CG2-CG1 4.42Å
14F87Confident79.5Confident0 Ų043.1 Ų43.10%022%0.22CC..EExtended strand (participates in β ladder)trans-95.7145.9175-61.4-81.3000110.2L2 V3 F5 A12 K43 L44 I120 L127 I128L2-F14 CarbonylContact C-O 3.57Å; L2-F14 WeakPolarHBondContact CA-O 3.4Å; V3-F14 HydrophobicContact CB-CB 4.36Å; V3-F14 PolarHBondContact N-O 3.33Å; V3-F14 PolarHBondContact O-N 3.2Å; F5-F14 HydrophobicContact CB-CD2 4.06Å; F5-F14 HydrophobicContact CB-CE2 3.88Å; F5-F14 HydrophobicContact CD1-CE2 4.09Å; F5-F14 HydrophobicContact CG-CE2 4.27Å; A12-F14 HydrophobicContact CB-CD2 4.43Å; A12-F14 HydrophobicContact CB-CE2 3.73Å; A12-F14 HydrophobicContact CB-CZ 4.11Å; F14-K43 CarbonylContact C-O 3.58Å; F14-K43 WeakPolarHBondContact CA-O 3.41Å; F14-L44 HydrophobicContact CD1-CB 4.1Å; F14-L44 HydrophobicContact CD1-CD1 4.08Å; F14-L44 HydrophobicContact CE1-CB 3.92Å; F14-L44 HydrophobicContact CE1-CD1 3.68Å; F14-L44 HydrophobicContact CE1-CG 4.38Å; F14-L44 HydrophobicContact CZ-CD1 3.98Å; F14-I120 HydrophobicContact CD2-CD1 4.25Å; F14-I120 HydrophobicContact CD2-CG2 4.31Å; F14-I120 HydrophobicContact CE2-CG2 3.73Å; F14-I120 HydrophobicContact CZ-CG2 4.3Å; F14-L127 HydrophobicContact CE1-CB 3.87Å; F14-L127 HydrophobicContact CE1-CD2 4.46Å; F14-L127 HydrophobicContact CZ-CB 4Å; F14-I128 HydrophobicContact CZ-CG1 4.25Å
15K85.8Confident78.3Confident52 Ų5245.4 Ų45.423%0.22623%0.234CC..EExtended strand (participates in β ladder)trans-102.7127.5166.2-172.2166.4-169.1166.20108.8L2 K43 K45 E83 E86L2-K15 HydrophobicContact CD2-CB 4.01Å; L2-K15 HydrophobicContact CD2-CD 4.42Å; L2-K15 HydrophobicContact CD2-CG 4.1Å; K15-K43 PolarHBondContact N-O 2.91Å; K15-K43 PolarHBondContact O-N 2.62Å; K15-K45 HydrophobicContact CB-CB 4.47Å; K15-E83 IonicContact NZ-OE1 2.89Å; K15-E83 PolarHBondContact NZ-OE1 3.03Å; K15-E83 IonicContact NZ-OE2 2.65Å; K15-E86 WeakPolarHBondContact CE-OE1 3.48Å; K15-E86 WeakPolarHBondContact CE-OE2 3.28Å; K15-E86 IonicContact NZ-OE1 3.82Å; K15-E86 PolarHBondContact NZ-OE1 3.41Å; K15-E86 IonicContact NZ-OE2 2.74Å
16V83Confident77.2Confident4 Ų452.1 Ų52.12%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-80135.1169.7-165.80000108.6M1 V3 L22 I41 L42 L116M1-V16 HydrophobicContact CB-CG2 4.44Å; M1-V16 HydrophobicContact CE-CG2 3.71Å; M1-V16 PolarHBondContact O-N 2.9Å; V3-V16 HydrophobicContact CG2-CG2 3.61Å; V16-L22 HydrophobicContact CG1-CD1 4.13Å; V16-I41 WeakPolarHBondContact CA-O 3.36Å; V16-I41 HydrophobicContact CG1-CG2 4.42Å; V16-L42 HydrophobicContact CB-CD2 4.19Å; V16-L42 HydrophobicContact CG1-CD2 4.23Å; V16-L42 HydrophobicContact CG2-CD2 3.71Å; V16-L116 HydrophobicContact CG2-CD2 4.34Å
17L78.6Confident76.4Confident81 Ų8151.7 Ų51.742%0.42427%0.273SS..SBendtrans-98.7-45.9175.5-59.6-179.8000111.5I41 K43L17-I41 PolarHBondContact N-O 3.22Å; L17-K43 HydrophobicContact CD1-CD 3.84Å; L17-K43 HydrophobicContact CD1-CG 4.04Å
18D73.1Confident75.8Confident59 Ų5950.9 Ų50.932%0.31627%0.267SS..  trans-98.783.1-178.6-73.1-9.3000111.7S20 K21D18-S20 VanDerWaalsContact C-N 3.28Å; D18-S20 PolarHBondContact O-N 3.04Å; D18-K21 HydrophobicContact CB-CD 4.33Å; D18-K21 HydrophobicContact CB-CG 4.21Å; D18-K21 WeakPolarHBondContact OD2-CE 3.48Å; D18-K21 IonicContact OD2-NZ 3.96Å
19E70Confident75.3Confident108 Ų10855.9 Ų55.951%0.50528%0.282SS..G310 helixtrans-69.1-24.8179.3-64.2-172.4169.300113.5M1 K21 L22M1-E19 WeakPolarHBondContact CA-OE1 3.43Å; M1-E19 WeakPolarHBondContact CB-OE1 3.16Å; M1-E19 PolarHBondContact N-OE1 3.37Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 PolarHBondContact O-N 2.91Å; E19-L22 PolarHBondContact O-N 3Å
20S65.4Low74.9Confident85 Ų8560.8 Ų60.859%0.59430%0.303SS*.G310 helixtrans-61.6-33.4179.153.30000113.4D18 L22D18-S20 VanDerWaalsContact C-N 3.28Å; D18-S20 PolarHBondContact O-N 3.04Å; S20-L22 VanDerWaalsContact C-N 3.35Å
21K61.7Low74.2Confident70 Ų7063.8 Ų63.830%0.30432%0.317SS..G310 helixtrans-75.3-22.8-177.9-59.5-165.8-171.3-169.90113.6D18 E19 Q23 Q24 E31D18-K21 HydrophobicContact CB-CD 4.33Å; D18-K21 HydrophobicContact CB-CG 4.21Å; D18-K21 WeakPolarHBondContact OD2-CE 3.48Å; D18-K21 IonicContact OD2-NZ 3.96Å; E19-K21 VanDerWaalsContact C-N 3.29Å; E19-K21 PolarHBondContact O-N 2.91Å; K21-Q23 PolarHBondContact O-N 2.62Å; K21-Q23 VanDerWaalsContact O-N 3.12Å; K21-Q24 PolarHBondContact O-N 3.32Å; K21-Q24 VanDerWaalsContact O-N 3.12Å; K21-E31 WeakPolarHBondContact CD-OE2 3.47Å; K21-E31 WeakPolarHBondContact CE-OE2 3.34Å; K21-E31 IonicContact NZ-OE1 3.96Å; K21-E31 PolarHBondContact NZ-OE1 3Å; K21-E31 IonicContact NZ-OE2 3.25Å; K21-E31 PolarHBondContact NZ-OE2 3.28Å
22L62.8Low73.6Confident27 Ų2763.5 Ų63.514%0.14132%0.316CS..G310 helixtrans-65.5-12.9177.8-63.5177.5000113.5M1 V16 E19 S20 Q24 L28 L116M1-L22 HydrophobicContact CE-CD1 3.44Å; M1-L22 VanDerWaalsContact CE-CD1 3.44Å; V16-L22 HydrophobicContact CG1-CD1 4.13Å; E19-L22 PolarHBondContact O-N 3Å; S20-L22 VanDerWaalsContact C-N 3.35Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; L22-L28 HydrophobicContact CD2-CD1 4.36Å; L22-L116 HydrophobicContact CD2-CD1 3.98Å; L22-L116 HydrophobicContact CD2-CD2 3.9Å; L22-L116 HydrophobicContact CD2-CG 4.37Å
23Q63Low73.2Confident169 Ų16969.1 Ų69.179%0.7934%0.342SS*.G310 helixtrans-76-20.6175.4-60-174.3-2.200112.8K21K21-Q23 PolarHBondContact O-N 2.62Å; K21-Q23 VanDerWaalsContact O-N 3.12Å
24Q67.1Low72.8Confident128 Ų12871.6 Ų71.660%0.59836%0.357SS*.  trans-102.286.9176.5-62.3-171.70.700110.9K21 L22 D26 S27K21-Q24 PolarHBondContact O-N 3.32Å; K21-Q24 VanDerWaalsContact O-N 3.12Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; Q24-D26 VanDerWaalsContact C-N 3.35Å; Q24-D26 PolarHBondContact O-N 3.41Å; Q24-S27 WeakPolarHBondContact CB-OG 3.33Å; Q24-S27 PolarHBondContact O-OG 2.87Å; Q24-S27 PolarHBondContact OE1-OG 3.16Å
25V63.7Low72.3Confident50 Ų5074.3 Ų74.330%0.30338%0.375SS..THydrogen-bonded Turntrans-62.5-41.3-176.3-1720000111.9S27 A112 E115V25-S27 PolarHBondContact O-N 2.96Å; V25-A112 HydrophobicContact CG2-CB 3.87Å; V25-E115 HydrophobicContact CG1-CB 4.27Å; V25-E115 HydrophobicContact CG1-CG 4.11Å
26D64.3Low72Confident151 Ų15178.8 Ų78.881%0.80740%0.396SS*.THydrogen-bonded Turntrans-73.7-21.5-172-51.3-54.2000114.4Q24 Y29Q24-D26 VanDerWaalsContact C-N 3.35Å; Q24-D26 PolarHBondContact O-N 3.41Å; D26-Y29 WeakPolarHBondContact O-CE1 3Å
27S70.1Confident71.8Confident38 Ų3882.3 Ų82.327%0.26641%0.411SS..THydrogen-bonded Turntrans-97.6-16.1-178.259.70000113.5Q24 V25 Y29 K30Q24-S27 WeakPolarHBondContact CB-OG 3.33Å; Q24-S27 PolarHBondContact O-OG 2.87Å; Q24-S27 PolarHBondContact OE1-OG 3.16Å; V25-S27 PolarHBondContact O-N 2.96Å; S27-Y29 VanDerWaalsContact C-N 3.28Å; S27-Y29 PolarHBondContact O-N 3.37Å; S27-Y29 VanDerWaalsContact O-N 3.15Å; S27-K30 WeakPolarHBondContact O-CB 3.31Å; S27-K30 PolarHBondContact O-N 2.89Å; S27-K30 VanDerWaalsContact O-N 3.13Å
28L73.4Confident71.8Confident7 Ų778.5 Ų78.54%0.03739%0.391CS..G310 helixtrans-53.9-40.3-169.3-165.669.7000113.3L22 K30 E31 F32 L116L22-L28 HydrophobicContact CD2-CD1 4.36Å; L28-K30 PolarHBondContact O-N 3.03Å; L28-E31 PolarHBondContact O-N 2.93Å; L28-E31 VanDerWaalsContact O-N 3.11Å; L28-F32 HydrophobicContact CD1-CE2 4.24Å; L28-F32 HydrophobicContact CG-CD2 4.44Å; L28-F32 HydrophobicContact CG-CE2 4.12Å; L28-F32 WeakPolarHBondContact O-CD2 3.16Å; L28-L116 HydrophobicContact CD2-CB 4.23Å; L28-L116 HydrophobicContact CD2-CD1 4.22Å
29Y74.9Confident72.1Confident128 Ų12879 Ų7950%0.50239%0.394SS..G310 helixtrans-57.7-33.4-177.179.5-91.7000113.6D26 S27 E31 F32 E33D26-Y29 WeakPolarHBondContact O-CE1 3Å; S27-Y29 VanDerWaalsContact C-N 3.28Å; S27-Y29 PolarHBondContact O-N 3.37Å; S27-Y29 VanDerWaalsContact O-N 3.15Å; Y29-E31 PolarHBondContact O-N 3.41Å; Y29-F32 PolarHBondContact O-N 2.82Å; Y29-E33 PolarHBondContact O-N 3.31Å
30K77.5Confident72.6Confident107 Ų10780.3 Ų80.347%0.46540%0.398SS..G310 helixtrans-66.4-20.7-177.9-61.3179.2-179.4176.30113S27 L28 K37S27-K30 WeakPolarHBondContact O-CB 3.31Å; S27-K30 PolarHBondContact O-N 2.89Å; S27-K30 VanDerWaalsContact O-N 3.13Å; L28-K30 PolarHBondContact O-N 3.03Å; K30-K37 PolarHBondContact O-NZ 3.47Å
31E72.9Confident73.2Confident63 Ų6376.4 Ų76.429%0.29437%0.37SS..G310 helixtrans-91.2-5.4175-51.4-152.2153.500113.7K21 L28 Y29 K37 A38 I41K21-E31 WeakPolarHBondContact CD-OE2 3.47Å; K21-E31 WeakPolarHBondContact CE-OE2 3.34Å; K21-E31 IonicContact NZ-OE1 3.96Å; K21-E31 PolarHBondContact NZ-OE1 3Å; K21-E31 IonicContact NZ-OE2 3.25Å; K21-E31 PolarHBondContact NZ-OE2 3.28Å; L28-E31 PolarHBondContact O-N 2.93Å; L28-E31 VanDerWaalsContact O-N 3.11Å; Y29-E31 PolarHBondContact O-N 3.41Å; E31-K37 CarbonylContact O-C 3.51Å; E31-K37 WeakPolarHBondContact O-CB 3.36Å; E31-A38 PolarHBondContact O-N 3.4Å; E31-I41 HydrophobicContact CB-CD1 3.54Å; E31-I41 HydrophobicContact CG-CD1 4.5Å; E31-I41 VanDerWaalsContact OE2-CD1 3.23Å; E31-I41 WeakPolarHBondContact OE2-CD1 3.44Å
32F76.3Confident74.2Confident5 Ų573 Ų732%0.02236%0.356CS..THydrogen-bonded Turntrans-1070.7175.4-73.5-87.7000114.1L28 Y29 T34 A38 I41 L42 L116 C119L28-F32 HydrophobicContact CD1-CE2 4.24Å; L28-F32 HydrophobicContact CG-CD2 4.44Å; L28-F32 HydrophobicContact CG-CE2 4.12Å; L28-F32 WeakPolarHBondContact O-CD2 3.16Å; Y29-F32 PolarHBondContact O-N 2.82Å; F32-T34 PolarHBondContact O-N 3.43Å; F32-A38 HydrophobicContact CD1-CB 3.54Å; F32-A38 HydrophobicContact CE1-CB 3.85Å; F32-A38 HydrophobicContact CG-CB 4.5Å; F32-I41 HydrophobicContact CD2-CD1 4.44Å; F32-I41 HydrophobicContact CE2-CD1 3.86Å; F32-I41 HydrophobicContact CZ-CB 4.31Å; F32-I41 HydrophobicContact CZ-CD1 3.97Å; F32-I41 HydrophobicContact CZ-CG2 4.16Å; F32-L42 HydrophobicContact CE1-CD1 3.73Å; F32-L42 HydrophobicContact CE1-CG 4.14Å; F32-L42 HydrophobicContact CZ-CD1 3.87Å; F32-L42 HydrophobicContact CZ-CG 4.04Å; F32-L116 HydrophobicContact CE2-CD1 4.25Å; F32-L116 HydrophobicContact CZ-CD1 3.98Å; F32-C119 HydrophobicContact CB-CB 3.96Å; F32-C119 HydrophobicContact CD1-CB 3.94Å; F32-C119 HydrophobicContact CD2-CB 3.52Å; F32-C119 HydrophobicContact CE1-CB 4.33Å; F32-C119 HydrophobicContact CE2-CB 3.95Å; F32-C119 HydrophobicContact CG-CB 3.53Å; F32-C119 HydrophobicContact CZ-CB 4.34Å
33E78.2Confident75.1Confident118 Ų11877.4 Ų77.455%0.55137%0.374SS*.SBendtrans-60.5-22.4174.1-66.9173.316700114.4Y29 K37Y29-E33 PolarHBondContact O-N 3.31Å; E33-K37 IonicContact OE2-NZ 3.26Å; E33-K37 PolarHBondContact OE2-NZ 3.45Å
34T80.4Confident76.1Confident54 Ų5472 Ų7233%0.33135%0.35SS..SBendtrans-134.7143.6177.171.40000111.8F32 E36 K37 A38F32-T34 PolarHBondContact O-N 3.43Å; T34-E36 PolarHBondContact O-N 2.61Å; T34-K37 PolarHBondContact O-N 3.05Å; T34-K37 VanDerWaalsContact O-N 3.16Å; T34-K37 WeakPolarHBondContact OG1-CD 3.39Å; T34-K37 VanDerWaalsContact OG1-CG 3.3Å; T34-K37 WeakPolarHBondContact OG1-CG 3.38Å; T34-A38 PolarHBondContact O-N 3.11Å; T34-A38 VanDerWaalsContact O-N 3.15Å
35P75.9Confident76.9Confident56 Ų5669 Ų6936%0.36434%0.335SS..Hα-helixtrans-61.2-31.6-176.422.4-33.4000113.1A38 N39 A126P35-A38 PolarHBondContact O-N 3.25Å; P35-N39 WeakPolarHBondContact O-CB 3.41Å; P35-N39 PolarHBondContact O-N 3.28Å; P35-N39 PolarHBondContact O-ND2 3.22Å; P35-A126 HydrophobicContact CB-CB 3.86Å
36E79.8Confident77.9Confident146 Ų14669.8 Ų69.868%0.68234%0.335SS*.Hα-helixtrans-70.1-30.3179.2-62-178.3-175.200113.8T34 K40T34-E36 PolarHBondContact O-N 2.61Å; E36-K40 WeakPolarHBondContact O-CD 3.43Å; E36-K40 WeakPolarHBondContact O-CE 3.43Å; E36-K40 WeakPolarHBondContact O-CG 3.32Å
37K79.1Confident78.9Confident79 Ų7964.8 Ų64.834%0.34331%0.306SS..Hα-helixtrans-75.8-47.3172.5-65.8170.3-177.7175.90109.5K30 E31 E33 T34 N39 K40K30-K37 PolarHBondContact O-NZ 3.47Å; E31-K37 CarbonylContact O-C 3.51Å; E31-K37 WeakPolarHBondContact O-CB 3.36Å; E33-K37 IonicContact OE2-NZ 3.26Å; E33-K37 PolarHBondContact OE2-NZ 3.45Å; T34-K37 PolarHBondContact O-N 3.05Å; T34-K37 VanDerWaalsContact O-N 3.16Å; T34-K37 WeakPolarHBondContact OG1-CD 3.39Å; T34-K37 VanDerWaalsContact OG1-CG 3.3Å; T34-K37 WeakPolarHBondContact OG1-CG 3.38Å; K37-N39 VanDerWaalsContact C-N 3.33Å; K37-N39 PolarHBondContact O-N 3.33Å; K37-K40 WeakPolarHBondContact O-CB 3.35Å; K37-K40 PolarHBondContact O-N 3.03Å
38A77.5Confident79.7Confident0 Ų064.7 Ų64.70%030%0.302CS..Hα-helixtrans-54.7-45.5177.600000112.7E31 F32 T34 P35 K40 I41 L42 Q123 L127E31-A38 PolarHBondContact O-N 3.4Å; F32-A38 HydrophobicContact CD1-CB 3.54Å; F32-A38 HydrophobicContact CE1-CB 3.85Å; F32-A38 HydrophobicContact CG-CB 4.5Å; T34-A38 PolarHBondContact O-N 3.11Å; T34-A38 VanDerWaalsContact O-N 3.15Å; P35-A38 PolarHBondContact O-N 3.25Å; A38-K40 PolarHBondContact O-N 3.2Å; A38-I41 PolarHBondContact O-N 2.75Å; A38-I41 VanDerWaalsContact O-N 3.15Å; A38-L42 PolarHBondContact O-N 3.43Å; A38-Q123 HydrophobicContact CB-CG 4.15Å; A38-L127 HydrophobicContact CB-CD2 4.4Å
39N80.2Confident80.3Confident69 Ų6968.8 Ų68.837%0.36932%0.319SS..Hα-helixtrans-68.6-9.8178.8-80.7-36.7000115.2P35 K37 L42 K43P35-N39 WeakPolarHBondContact O-CB 3.41Å; P35-N39 PolarHBondContact O-N 3.28Å; P35-N39 PolarHBondContact O-ND2 3.22Å; K37-N39 VanDerWaalsContact C-N 3.33Å; K37-N39 PolarHBondContact O-N 3.33Å; N39-L42 CarbonylContact C-O 3.48Å; N39-L42 WeakPolarHBondContact CA-O 3.48Å; N39-K43 WeakPolarHBondContact O-CE 3.41Å
40K79.6Confident80.9Confident137 Ų13763.9 Ų63.960%0.59630%0.301SS*.Hα-helixtrans-85.1-34.5171.1-69.5166.3-173.2172.80111.4E36 K37 A38E36-K40 WeakPolarHBondContact O-CD 3.43Å; E36-K40 WeakPolarHBondContact O-CE 3.43Å; E36-K40 WeakPolarHBondContact O-CG 3.32Å; K37-K40 WeakPolarHBondContact O-CB 3.35Å; K37-K40 PolarHBondContact O-N 3.03Å; A38-K40 PolarHBondContact O-N 3.2Å
41I79.3Confident81.2Confident2 Ų267.4 Ų67.41%0.0132%0.319CS..Hα-helixtrans-85-44.5-177.8-54.8158.9000110.9V16 L17 E31 F32 A38V16-I41 WeakPolarHBondContact CA-O 3.36Å; V16-I41 HydrophobicContact CG1-CG2 4.42Å; L17-I41 PolarHBondContact N-O 3.22Å; E31-I41 HydrophobicContact CB-CD1 3.54Å; E31-I41 HydrophobicContact CG-CD1 4.5Å; E31-I41 VanDerWaalsContact OE2-CD1 3.23Å; E31-I41 WeakPolarHBondContact OE2-CD1 3.44Å; F32-I41 HydrophobicContact CD2-CD1 4.44Å; F32-I41 HydrophobicContact CE2-CD1 3.86Å; F32-I41 HydrophobicContact CZ-CB 4.31Å; F32-I41 HydrophobicContact CZ-CD1 3.97Å; F32-I41 HydrophobicContact CZ-CG2 4.16Å; A38-I41 PolarHBondContact O-N 2.75Å; A38-I41 VanDerWaalsContact O-N 3.15Å
42L81.9Confident81.9Confident0 Ų069.3 Ų69.30%033%0.331CS..EExtended strand (participates in β ladder)trans-119.6137.6-177-60.6-175.8000110.5V16 F32 A38 N39 L116 I120V16-L42 HydrophobicContact CB-CD2 4.19Å; V16-L42 HydrophobicContact CG1-CD2 4.23Å; V16-L42 HydrophobicContact CG2-CD2 3.71Å; F32-L42 HydrophobicContact CE1-CD1 3.73Å; F32-L42 HydrophobicContact CE1-CG 4.14Å; F32-L42 HydrophobicContact CZ-CD1 3.87Å; F32-L42 HydrophobicContact CZ-CG 4.04Å; A38-L42 PolarHBondContact O-N 3.43Å; N39-L42 CarbonylContact C-O 3.48Å; N39-L42 WeakPolarHBondContact CA-O 3.48Å; L42-L116 HydrophobicContact CD1-CD1 4.24Å; L42-L116 HydrophobicContact CD2-CD1 4.35Å; L42-I120 HydrophobicContact CD1-CD1 3.72Å; L42-I120 HydrophobicContact CD1-CG1 3.39Å
43K82.6Confident82.2Confident118 Ų11873.7 Ų73.751%0.51336%0.358SS..EExtended strand (participates in β ladder)trans-126136.1165.3-66.3-173.3-176170.60110.6F14 K15 L17 N39 K45F14-K43 CarbonylContact C-O 3.58Å; F14-K43 WeakPolarHBondContact CA-O 3.41Å; K15-K43 PolarHBondContact N-O 2.91Å; K15-K43 PolarHBondContact O-N 2.62Å; L17-K43 HydrophobicContact CD1-CD 3.84Å; L17-K43 HydrophobicContact CD1-CG 4.04Å; N39-K43 WeakPolarHBondContact O-CE 3.41Å; K43-K45 PolarHBondContact O-N 3.4Å
44L84.3Confident82.6Confident57 Ų5772.7 Ų72.730%0.29836%0.36SS..EExtended strand (participates in β ladder)trans-65.3116.5173-176.565.9000108.9A12 F14 H46 F47A12-L44 HydrophobicContact CB-CD1 4.15Å; F14-L44 HydrophobicContact CD1-CB 4.1Å; F14-L44 HydrophobicContact CD1-CD1 4.08Å; F14-L44 HydrophobicContact CE1-CB 3.92Å; F14-L44 HydrophobicContact CE1-CD1 3.68Å; F14-L44 HydrophobicContact CE1-CG 4.38Å; F14-L44 HydrophobicContact CZ-CD1 3.98Å; L44-H46 WeakPolarHBondContact CD1-O 3.42Å; L44-F47 HydrophobicContact CD1-CB 4.33Å; L44-F47 HydrophobicContact CD2-CB 4.21Å
45K83.6Confident82.9Confident65 Ų6572.8 Ų72.828%0.28336%0.357SS..EExtended strand (participates in β ladder)trans-93.6-37.9179.7-173.7-174.5177.9-169.40111.5L2 I13 K15 K43 V79 E83L2-K45 HydrophobicContact CD2-CD 3.85Å; I13-K45 WeakPolarHBondContact O-CB 3.38Å; I13-K45 PolarHBondContact O-N 3.13Å; K15-K45 HydrophobicContact CB-CB 4.47Å; K43-K45 PolarHBondContact O-N 3.4Å; K45-V79 HydrophobicContact CD-CG1 4.39Å; K45-E83 IonicContact NZ-OE1 3.26Å; K45-E83 PolarHBondContact NZ-OE1 3.26Å; K45-E83 IonicContact NZ-OE2 3.79Å; K45-E83 PolarHBondContact NZ-OE2 3.26Å
46H84.1Confident83.4Confident66 Ų6670.5 Ų70.531%0.30634%0.343SS..EExtended strand (participates in β ladder)trans-153.9144.9175.4-164.947000110.6I13 L44 E48 V79I13-H46 PolarHBondContact N-O 3.17Å; I13-H46 PolarHBondContact O-N 3.36Å; L44-H46 WeakPolarHBondContact CD1-O 3.42Å; H46-E48 IonicContact NE2-OE2 3.52Å; H46-V79 HydrophobicContact CB-CG2 4.33Å
47F86.2Confident83.8Confident45 Ų4565.4 Ų65.420%0.19732%0.32CS..EExtended strand (participates in β ladder)trans-131120.2169.2-178.4-114.5000108.2A9 Y11 A12 L44 K49 I128 L131A9-F47 HydrophobicContact CB-CZ 4.24Å; Y11-F47 WeakPolarHBondContact O-CA 3.46Å; A12-F47 HydrophobicContact CB-CD2 3.9Å; A12-F47 HydrophobicContact CB-CE2 4.42Å; L44-F47 HydrophobicContact CD1-CB 4.33Å; L44-F47 HydrophobicContact CD2-CB 4.21Å; F47-K49 HydrophobicContact CD1-CB 4.33Å; F47-K49 HydrophobicContact CE1-CB 3.79Å; F47-K49 HydrophobicContact CE1-CG 4.21Å; F47-K49 HydrophobicContact CZ-CB 4.44Å; F47-I128 HydrophobicContact CD1-CG2 4.3Å; F47-I128 HydrophobicContact CD2-CG2 4.12Å; F47-I128 HydrophobicContact CE1-CG2 4.13Å; F47-I128 HydrophobicContact CE2-CD1 4.28Å; F47-I128 HydrophobicContact CE2-CG2 3.96Å; F47-I128 HydrophobicContact CG-CG2 4.29Å; F47-I128 HydrophobicContact CZ-CG2 3.97Å; F47-L131 HydrophobicContact CE1-CD1 3.77Å; F47-L131 HydrophobicContact CE1-CG 4.46Å; F47-L131 HydrophobicContact CZ-CD1 3.72Å
48E86.2Confident84.2Confident37 Ų3764.4 Ų64.417%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-109.393.5176.5-171.6152.4-177.500108.1G10 Y11 H46 V75 K78G10-E48 VanDerWaalsContact CA-O 3.23Å; G10-E48 WeakPolarHBondContact CA-O 3.42Å; Y11-E48 PolarHBondContact N-O 3.44Å; Y11-E48 PolarHBondContact O-N 3.34Å; H46-E48 IonicContact NE2-OE2 3.52Å; E48-V75 HydrophobicContact CB-CG1 4.36Å; E48-V75 HydrophobicContact CB-CG2 3.96Å; E48-V75 VanDerWaalsContact CD-CG2 3.42Å; E48-V75 HydrophobicContact CG-CG2 3.95Å; E48-V75 WeakPolarHBondContact OE2-CA 3.47Å; E48-V75 WeakPolarHBondContact OE2-CG2 3.44Å; E48-K78 IonicContact OE1-NZ 3.94Å; E48-K78 PolarHBondContact OE1-NZ 3.07Å; E48-K78 IonicContact OE2-NZ 2.62Å; E48-K78 PolarHBondContact OE2-NZ 2.92Å
49K86.8Confident84.7Confident92 Ų9264.8 Ų64.840%0.433%0.329SS..EExtended strand (participates in β ladder)trans-65.9134.4176-168.3-176.9178.1172.20109.5A9 F47 L131 E135A9-K49 CarbonylContact O-C 3.53Å; A9-K49 WeakPolarHBondContact O-CA 3.3Å; A9-K49 WeakPolarHBondContact O-CG 3.37Å; F47-K49 HydrophobicContact CD1-CB 4.33Å; F47-K49 HydrophobicContact CE1-CB 3.79Å; F47-K49 HydrophobicContact CE1-CG 4.21Å; F47-K49 HydrophobicContact CZ-CB 4.44Å; K49-L131 HydrophobicContact CD-CD2 4.11Å; K49-L131 VanDerWaalsContact NZ-CD2 3.33Å; K49-E135 IonicContact NZ-OE2 2.62Å
50F87.1Confident85.1Confident26 Ų2662.3 Ų62.311%0.11432%0.319CS..  trans-66.3139.7169.9-61.7-54000110A9 Y11 E55 A56 A59A9-F50 PolarHBondContact O-N 2.85Å; Y11-F50 AromaticContact CD2-CE1 3.9Å; Y11-F50 HydrophobicContact CD2-CE1 3.9Å; Y11-F50 AromaticContact CD2-CZ 3.95Å; Y11-F50 HydrophobicContact CD2-CZ 3.95Å; Y11-F50 AromaticContact CE2-CE1 3.56Å; Y11-F50 HydrophobicContact CE2-CE1 3.56Å; Y11-F50 AromaticContact CE2-CZ 3.61Å; Y11-F50 HydrophobicContact CE2-CZ 3.61Å; Y11-F50 AromaticContact CZ-CZ 3.93Å; F50-E55 HydrophobicContact CD1-CG 3.86Å; F50-E55 HydrophobicContact CE1-CG 4.45Å; F50-A56 HydrophobicContact CB-CB 4.27Å; F50-A56 HydrophobicContact CD2-CB 3.68Å; F50-A56 HydrophobicContact CE2-CB 4.27Å; F50-A56 HydrophobicContact CG-CB 4.07Å; F50-A59 HydrophobicContact CE1-CB 3.87Å; F50-A59 HydrophobicContact CE2-CB 4.45Å; F50-A59 HydrophobicContact CZ-CB 3.64Å
51Q83.4Confident85.4Confident181 Ų18156.6 Ų56.685%0.84630%0.295SS*.SBendtrans-83.2-42176.6-65.5-170.5-13.900111.2E55Q51-E55 PolarHBondContact N-OE2 2.94Å
52D86.8Confident85.8Confident102 Ų10257.2 Ų57.255%0.54530%0.301SS..  trans-117.8151.4-176.7-78.2-53.9000113.8T54 E55 A56D52-T54 WeakPolarHBondContact CB-OG1 3.36Å; D52-T54 PolarHBondContact O-N 2.93Å; D52-E55 HydrophobicContact CB-CB 4.45Å; D52-E55 PolarHBondContact O-N 3.37Å; D52-A56 PolarHBondContact O-N 3.11Å
53T83.9Confident86Confident97 Ų9760 Ų6060%0.59532%0.316SS*.Hα-helixtrans-62.8-26.1169.257.30000112.7L57T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 PolarHBondContact O-N 3.09Å
54T86.5Confident86.1Confident98 Ų9858.7 Ų58.760%0.60132%0.317SS*.Hα-helixtrans-71.8-3917555.70000111.8D52 L57 A58D52-T54 WeakPolarHBondContact CB-OG1 3.36Å; D52-T54 PolarHBondContact O-N 2.93Å; T54-L57 PolarHBondContact O-N 2.78Å; T54-A58 WeakPolarHBondContact O-CB 3.45Å; T54-A58 PolarHBondContact O-N 2.62Å
55E86.4Confident86.1Confident55 Ų5560.4 Ų60.426%0.25732%0.324SS..Hα-helixtrans-65.4-46.8172.3-175.7178.4-146.400110.5F50 Q51 D52 L57 A58 A59 S71F50-E55 HydrophobicContact CD1-CG 3.86Å; F50-E55 HydrophobicContact CE1-CG 4.45Å; Q51-E55 PolarHBondContact N-OE2 2.94Å; D52-E55 HydrophobicContact CB-CB 4.45Å; D52-E55 PolarHBondContact O-N 3.37Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 3.38Å; E55-A58 PolarHBondContact O-N 2.97Å; E55-A59 WeakPolarHBondContact O-CB 3.47Å; E55-A59 PolarHBondContact O-N 2.84Å; E55-S71 VanDerWaalsContact OE1-CB 3.29Å; E55-S71 WeakPolarHBondContact OE1-CB 3.42Å; E55-S71 PolarHBondContact OE1-OG 2.8Å
56A87.4Confident86Confident8 Ų858 Ų587%0.06632%0.317CS..Hα-helixtrans-59.4-40.1176.400000112.2F50 D52 A59 A60 L143F50-A56 HydrophobicContact CB-CB 4.27Å; F50-A56 HydrophobicContact CD2-CB 3.68Å; F50-A56 HydrophobicContact CE2-CB 4.27Å; F50-A56 HydrophobicContact CG-CB 4.07Å; D52-A56 PolarHBondContact O-N 3.11Å; A56-A59 PolarHBondContact O-N 3.4Å; A56-A60 VanDerWaalsContact O-CB 3.32Å; A56-A60 WeakPolarHBondContact O-CB 3.2Å; A56-A60 PolarHBondContact O-N 3.35Å; A56-L143 HydrophobicContact CB-CD1 4.08Å
57L87.6Confident86.1Confident39 Ų3960.3 Ų60.320%0.20433%0.326CS..Hα-helixtrans-68.5-39.4174.7-180141.6000112.7T53 T54 E55 A59 A60 T61 L143 S146T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 PolarHBondContact O-N 3.09Å; T54-L57 PolarHBondContact O-N 2.78Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 3.38Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A60 PolarHBondContact O-N 2.8Å; L57-T61 VanDerWaalsContact O-CB 3.26Å; L57-T61 WeakPolarHBondContact O-CB 3.21Å; L57-T61 PolarHBondContact O-N 3.09Å; L57-T61 PolarHBondContact O-OG1 3.33Å; L57-L143 HydrophobicContact CB-CD1 4.29Å; L57-S146 VanDerWaalsContact CD1-C 3.45Å; L57-S146 WeakPolarHBondContact CD1-O 3.3Å
58A87.9Confident85.9Confident58 Ų5859.5 Ų59.548%0.47932%0.324SS..Hα-helixtrans-65.5-39.7175.700000111.2T54 E55 A62T54-A58 WeakPolarHBondContact O-CB 3.45Å; T54-A58 PolarHBondContact O-N 2.62Å; E55-A58 PolarHBondContact O-N 2.97Å; A58-A62 VanDerWaalsContact O-CB 3.28Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.08Å
59A86.8Confident85.8Confident8 Ų858.3 Ų58.37%0.06632%0.321CS..Hα-helixtrans-63.4-49.9173.600000111.9F50 E55 A56 L57 T61 A62 L63F50-A59 HydrophobicContact CE1-CB 3.87Å; F50-A59 HydrophobicContact CE2-CB 4.45Å; F50-A59 HydrophobicContact CZ-CB 3.64Å; E55-A59 WeakPolarHBondContact O-CB 3.47Å; E55-A59 PolarHBondContact O-N 2.84Å; A56-A59 PolarHBondContact O-N 3.4Å; L57-A59 VanDerWaalsContact C-N 3.34Å; A59-T61 PolarHBondContact O-N 3.31Å; A59-A62 PolarHBondContact O-N 2.94Å; A59-L63 WeakPolarHBondContact O-CB 3.43Å; A59-L63 PolarHBondContact O-N 2.65Å
60A88.1Confident85.7Confident17 Ų1762.9 Ų62.914%0.1434%0.341CS..Hα-helixtrans-65.6-35.7178.800000113.2A56 L57 L63 V64 L143 L147A56-A60 VanDerWaalsContact O-CB 3.32Å; A56-A60 WeakPolarHBondContact O-CB 3.2Å; A56-A60 PolarHBondContact O-N 3.35Å; L57-A60 PolarHBondContact O-N 2.8Å; A60-L63 PolarHBondContact O-N 3.41Å; A60-V64 WeakPolarHBondContact O-CG2 3.49Å; A60-V64 PolarHBondContact O-N 3.36Å; A60-L143 HydrophobicContact CB-CD1 4.09Å; A60-L143 HydrophobicContact CB-CD2 4.35Å; A60-L147 HydrophobicContact CB-CD1 3.91Å
61T87.3Confident85.5Confident17 Ų1762.5 Ų62.510%0.10434%0.342CS..Hα-helixtrans-67.9-44.6174.1-57.30000111L57 A59 L63 V64 E65 Y150L57-T61 VanDerWaalsContact O-CB 3.26Å; L57-T61 WeakPolarHBondContact O-CB 3.21Å; L57-T61 PolarHBondContact O-N 3.09Å; L57-T61 PolarHBondContact O-OG1 3.33Å; A59-T61 PolarHBondContact O-N 3.31Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.32Å; T61-V64 PolarHBondContact O-N 3.43Å; T61-E65 WeakPolarHBondContact O-CG 3.11Å; T61-E65 PolarHBondContact O-N 3.06Å; T61-Y150 HydrophobicContact CG2-CD1 4.37Å; T61-Y150 HydrophobicContact CG2-CE1 3.56Å
62A87.2Confident85.5Confident16 Ų1654 Ų5413%0.13230%0.302CS..Hα-helixtrans-60.2-40.7174.900000111.8A58 A59 E65 G66 K67A58-A62 VanDerWaalsContact O-CB 3.28Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.08Å; A59-A62 PolarHBondContact O-N 2.94Å; A62-E65 CarbonylContact O-C 3.59Å; A62-E65 PolarHBondContact O-N 2.94Å; A62-G66 PolarHBondContact O-N 3.12Å; A62-G66 VanDerWaalsContact O-N 3.08Å; A62-K67 CarbonylContact C-O 3.58Å; A62-K67 HydrophobicContact CB-CB 4.47Å; A62-K67 WeakPolarHBondContact CB-O 3.5Å; A62-K67 PolarHBondContact O-N 3.36Å
63L85.4Confident85.4Confident59 Ų5953.2 Ų53.231%0.30929%0.294SS..Hα-helixtrans-60.2-48.8174-179.166.8000112.3E6 A59 A60 T61 E65 G66 L95E6-L63 VanDerWaalsContact OE2-CD1 3.23Å; E6-L63 WeakPolarHBondContact OE2-CD1 3.41Å; E6-L63 VanDerWaalsContact OE2-CD2 3.25Å; E6-L63 WeakPolarHBondContact OE2-CD2 3.17Å; A59-L63 WeakPolarHBondContact O-CB 3.43Å; A59-L63 PolarHBondContact O-N 2.65Å; A60-L63 PolarHBondContact O-N 3.41Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.32Å; L63-E65 PolarHBondContact O-N 3.12Å; L63-G66 PolarHBondContact O-N 3.07Å; L63-L95 HydrophobicContact CD1-CD2 3.86Å
64V85.6Confident85.5Confident90 Ų9054.9 Ų54.955%0.54529%0.293SS..Hα-helixtrans-60.5-30.7177167.60000112.1A60 T61A60-V64 WeakPolarHBondContact O-CG2 3.49Å; A60-V64 PolarHBondContact O-N 3.36Å; T61-V64 PolarHBondContact O-N 3.43Å
65E84Confident85.3Confident93 Ų9350.2 Ų50.244%0.43526%0.264SS..THydrogen-bonded Turntrans-86.50.1174.8-66.5179.6-165.700114T61 A62 L63 K67T61-E65 WeakPolarHBondContact O-CG 3.11Å; T61-E65 PolarHBondContact O-N 3.06Å; A62-E65 CarbonylContact O-C 3.59Å; A62-E65 PolarHBondContact O-N 2.94Å; L63-E65 PolarHBondContact O-N 3.12Å; E65-K67 HydrophobicContact CB-CD 3.93Å; E65-K67 HydrophobicContact CB-CG 4.09Å; E65-K67 PolarHBondContact O-N 3.09Å; E65-K67 WeakPolarHBondContact OE2-CD 3.45Å; E65-K67 VanDerWaalsContact OE2-CE 3.3Å; E65-K67 WeakPolarHBondContact OE2-CE 3.38Å; E65-K67 IonicContact OE2-NZ 2.62Å; E65-K67 PolarHBondContact OE2-NZ 3.13Å
66G81.9Confident85Confident13 Ų1347.7 Ų47.713%0.13425%0.253CS..THydrogen-bonded Turntrans6817.1-17600000114.6A62 L63A62-G66 PolarHBondContact O-N 3.12Å; A62-G66 VanDerWaalsContact O-N 3.08Å; L63-G66 PolarHBondContact O-N 3.07Å
67K85.3Confident84.6Confident116 Ų11653.7 Ų53.750%0.50428%0.277SS..  trans-99.2138.7-173.3-66.8173-170.7167.90111.5A62 E65 G69A62-K67 CarbonylContact C-O 3.58Å; A62-K67 HydrophobicContact CB-CB 4.47Å; A62-K67 WeakPolarHBondContact CB-O 3.5Å; A62-K67 PolarHBondContact O-N 3.36Å; E65-K67 HydrophobicContact CB-CD 3.93Å; E65-K67 HydrophobicContact CB-CG 4.09Å; E65-K67 PolarHBondContact O-N 3.09Å; E65-K67 WeakPolarHBondContact OE2-CD 3.45Å; E65-K67 VanDerWaalsContact OE2-CE 3.3Å; E65-K67 WeakPolarHBondContact OE2-CE 3.38Å; E65-K67 IonicContact OE2-NZ 2.62Å; E65-K67 PolarHBondContact OE2-NZ 3.13Å; K67-G69 PolarHBondContact O-N 3.08Å; K67-G69 VanDerWaalsContact O-N 3.11Å
68L83.1Confident84.1Confident28 Ų2856.7 Ų56.715%0.14729%0.289CS..  trans-67107.2174.2-168.480.7000111.3L72 K73 L76 V98 I99 K102 L103L68-L72 HydrophobicContact CD1-CD2 3.88Å; L68-L72 HydrophobicContact CD1-CG 4.03Å; L68-K73 HydrophobicContact CD2-CB 3.83Å; L68-K73 HydrophobicContact CD2-CD 3.86Å; L68-K73 HydrophobicContact CD2-CG 3.8Å; L68-K73 HydrophobicContact CG-CB 4.32Å; L68-L76 HydrophobicContact CD1-CD1 4.21Å; L68-V98 HydrophobicContact CB-CG1 4.28Å; L68-I99 HydrophobicContact CD1-CD1 4.23Å; L68-I99 HydrophobicContact CD1-CG1 3.54Å; L68-K102 HydrophobicContact CB-CD 4.5Å; L68-K102 HydrophobicContact CD2-CB 4.4Å; L68-L103 HydrophobicContact CD2-CD1 4.44Å
69G83.5Confident83.4Confident12 Ų1254.4 Ų54.412%0.12427%0.268CS..  trans-63.5152.817600000113.6K67 S71 L72 K73K67-G69 PolarHBondContact O-N 3.08Å; K67-G69 VanDerWaalsContact O-N 3.11Å; G69-S71 VanDerWaalsContact C-N 3.32Å; G69-S71 PolarHBondContact O-N 3.3Å; G69-L72 PolarHBondContact O-N 3.42Å; G69-K73 PolarHBondContact O-N 3.39Å
70K84.7Confident82.1Confident187 Ų18756 Ų5681%0.81328%0.278SS*.Hα-helixtrans-58.4-42.7179.5-70.7-178.5-179.1175.90111.9K73 K74K70-K73 PolarHBondContact O-N 3.03Å; K70-K74 PolarHBondContact O-N 3.26Å; K70-K74 VanDerWaalsContact O-N 3.17Å
71S83.5Confident80.6Confident19 Ų1959.6 Ų59.613%0.13331%0.307CS..Hα-helixtrans-68.7-46.9-179.9-44.50000111.1E55 G69 K73 K74 V75E55-S71 VanDerWaalsContact OE1-CB 3.29Å; E55-S71 WeakPolarHBondContact OE1-CB 3.42Å; E55-S71 PolarHBondContact OE1-OG 2.8Å; G69-S71 VanDerWaalsContact C-N 3.32Å; G69-S71 PolarHBondContact O-N 3.3Å; S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 2.97Å; S71-K74 WeakPolarHBondContact O-CA 3.36Å; S71-K74 WeakPolarHBondContact O-CB 3.28Å; S71-K74 PolarHBondContact O-N 2.62Å; S71-V75 WeakPolarHBondContact O-CG2 3.4Å; S71-V75 PolarHBondContact O-N 2.92Å
72L83.6Confident79.3Confident2 Ų266.9 Ų66.91%0.0134%0.337CS..Hα-helixtrans-55.2-40172.3-175.355.7000112.5L4 Y11 L68 G69 K74 V75 L76 L95L4-L72 HydrophobicContact CD1-CD1 3.99Å; L4-L72 HydrophobicContact CD2-CD1 3.91Å; L4-L72 HydrophobicContact CD2-CD2 4.43Å; Y11-L72 HydrophobicContact CD1-CD1 4.04Å; Y11-L72 HydrophobicContact CD2-CD1 4.47Å; Y11-L72 HydrophobicContact CE1-CB 4.42Å; Y11-L72 HydrophobicContact CE1-CD1 3.98Å; Y11-L72 HydrophobicContact CE1-CD2 4.38Å; Y11-L72 HydrophobicContact CE1-CG 4.49Å; Y11-L72 HydrophobicContact CE2-CB 3.9Å; Y11-L72 HydrophobicContact CE2-CD1 4.39Å; Y11-L72 HydrophobicContact CG-CD1 4.29Å; L68-L72 HydrophobicContact CD1-CD2 3.88Å; L68-L72 HydrophobicContact CD1-CG 4.03Å; G69-L72 PolarHBondContact O-N 3.42Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 2.68Å; L72-V75 PolarHBondContact O-N 3.28Å; L72-L76 HydrophobicContact CD1-CD1 4Å; L72-L76 HydrophobicContact CD1-CG 3.96Å; L72-L76 HydrophobicContact CG-CD1 3.96Å; L72-L76 HydrophobicContact CG-CG 4.36Å; L72-L76 WeakPolarHBondContact O-CB 3.19Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 3.25Å; L72-L95 HydrophobicContact CD2-CD1 4.43Å
73K84.6Confident77.9Confident86 Ų8668.4 Ų68.437%0.37434%0.342SS..Hα-helixtrans-64.6-31174.6-163.4171-166.8170.10113.1L68 G69 K70 S71 K77L68-K73 HydrophobicContact CD2-CB 3.83Å; L68-K73 HydrophobicContact CD2-CD 3.86Å; L68-K73 HydrophobicContact CD2-CG 3.8Å; L68-K73 HydrophobicContact CG-CB 4.32Å; G69-K73 PolarHBondContact O-N 3.39Å; K70-K73 PolarHBondContact O-N 3.03Å; S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 2.97Å; K73-K77 WeakPolarHBondContact O-CB 3.47Å; K73-K77 WeakPolarHBondContact O-CG 3.08Å; K73-K77 PolarHBondContact O-N 3.31Å
74K84.4Confident76.3Confident131 Ų13169.3 Ų69.357%0.5736%0.358SS*.Hα-helixtrans-70.1-50.5170.2-65.5174.9-179.6176.40110.8K70 S71 L72 L76 K77 K78K70-K74 PolarHBondContact O-N 3.26Å; K70-K74 VanDerWaalsContact O-N 3.17Å; S71-K74 WeakPolarHBondContact O-CA 3.36Å; S71-K74 WeakPolarHBondContact O-CB 3.28Å; S71-K74 PolarHBondContact O-N 2.62Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 2.68Å; K74-L76 PolarHBondContact O-N 2.7Å; K74-K77 PolarHBondContact O-N 3.38Å; K74-K78 WeakPolarHBondContact O-CG 3.45Å; K74-K78 PolarHBondContact O-N 2.86Å
75V82.9Confident75Confident0 Ų073.7 Ų73.70%037%0.372CS..Hα-helixtrans-54.7-53.3-178.1-173.30000110.1Y11 I13 E48 S71 L72 K77 K78 V79Y11-V75 HydrophobicContact CD2-CG2 3.83Å; Y11-V75 HydrophobicContact CG-CG2 4.44Å; I13-V75 HydrophobicContact CD1-CG1 3.69Å; E48-V75 HydrophobicContact CB-CG1 4.36Å; E48-V75 HydrophobicContact CB-CG2 3.96Å; E48-V75 VanDerWaalsContact CD-CG2 3.42Å; E48-V75 HydrophobicContact CG-CG2 3.95Å; E48-V75 WeakPolarHBondContact OE2-CA 3.47Å; E48-V75 WeakPolarHBondContact OE2-CG2 3.44Å; S71-V75 WeakPolarHBondContact O-CG2 3.4Å; S71-V75 PolarHBondContact O-N 2.92Å; L72-V75 PolarHBondContact O-N 3.28Å; V75-K77 PolarHBondContact O-N 2.86Å; V75-K78 WeakPolarHBondContact O-CB 3.23Å; V75-K78 PolarHBondContact O-N 3.24Å; V75-V79 PolarHBondContact O-N 2.88Å
76L80.1Confident74.3Confident3 Ų371.5 Ų71.52%0.01636%0.361CS..Hα-helixtrans-61.4-44.6-179.6-67.2173.4000111.2L68 L72 K74 K78 V79 V80 L88 I99 L103L68-L76 HydrophobicContact CD1-CD1 4.21Å; L72-L76 HydrophobicContact CD1-CD1 4Å; L72-L76 HydrophobicContact CD1-CG 3.96Å; L72-L76 HydrophobicContact CG-CD1 3.96Å; L72-L76 HydrophobicContact CG-CG 4.36Å; L72-L76 WeakPolarHBondContact O-CB 3.19Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 3.25Å; K74-L76 PolarHBondContact O-N 2.7Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 2.84Å; L76-V79 PolarHBondContact O-N 3.03Å; L76-V79 VanDerWaalsContact O-N 3.11Å; L76-V80 WeakPolarHBondContact O-CB 3.25Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.23Å; L76-L88 HydrophobicContact CD2-CD2 3.9Å; L76-I99 HydrophobicContact CD1-CD1 4.02Å; L76-I99 HydrophobicContact CD1-CG1 4.19Å; L76-I99 HydrophobicContact CD1-CG2 4.41Å; L76-L103 HydrophobicContact CB-CD1 3.79Å; L76-L103 HydrophobicContact CD1-CD1 3.53Å; L76-L103 HydrophobicContact CG-CD1 4.31Å
77K79.9Confident74.1Confident134 Ų13475.8 Ų75.858%0.58338%0.378SS*.Hα-helixtrans-58.6-39.6176.2-81.8-169.1169.2-155.40113.6K73 K74 V75 V79 A81 L103K73-K77 WeakPolarHBondContact O-CB 3.47Å; K73-K77 WeakPolarHBondContact O-CG 3.08Å; K73-K77 PolarHBondContact O-N 3.31Å; K74-K77 PolarHBondContact O-N 3.38Å; V75-K77 PolarHBondContact O-N 2.86Å; K77-V79 VanDerWaalsContact C-N 3.29Å; K77-V79 PolarHBondContact O-N 3.32Å; K77-A81 WeakPolarHBondContact O-CB 3.14Å; K77-A81 PolarHBondContact O-N 2.97Å; K77-L103 HydrophobicContact CG-CD2 4.4Å
78K76.8Confident74.1Confident102 Ų10270.6 Ų70.644%0.44336%0.356SS..Hα-helixtrans-62.9-33.3176.5-66.8171.3-170.51720113E48 K74 V75 L76E48-K78 IonicContact OE1-NZ 3.94Å; E48-K78 PolarHBondContact OE1-NZ 3.07Å; E48-K78 IonicContact OE2-NZ 2.62Å; E48-K78 PolarHBondContact OE2-NZ 2.92Å; K74-K78 WeakPolarHBondContact O-CG 3.45Å; K74-K78 PolarHBondContact O-N 2.86Å; V75-K78 WeakPolarHBondContact O-CB 3.23Å; V75-K78 PolarHBondContact O-N 3.24Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 2.84Å
79V71.8Confident74.1Confident9 Ų969.3 Ų69.36%0.05535%0.349CS..Hα-helixtrans-91.6-41.7-174.1178.20000112.1L2 I13 K45 H46 V75 L76 K77 A81 K82L2-V79 HydrophobicContact CD1-CG1 3.87Å; I13-V79 HydrophobicContact CD1-CB 4.39Å; I13-V79 HydrophobicContact CD1-CG2 3.88Å; I13-V79 HydrophobicContact CG2-CG1 4.42Å; K45-V79 HydrophobicContact CD-CG1 4.39Å; H46-V79 HydrophobicContact CB-CG2 4.33Å; V75-V79 PolarHBondContact O-N 2.88Å; L76-V79 PolarHBondContact O-N 3.03Å; L76-V79 VanDerWaalsContact O-N 3.11Å; K77-V79 VanDerWaalsContact C-N 3.29Å; K77-V79 PolarHBondContact O-N 3.32Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.47Å; V79-K82 PolarHBondContact O-N 2.91Å; V79-K82 VanDerWaalsContact O-N 3.13Å
80V60.6Low74.2Confident43 Ų4368.9 Ų68.926%0.26134%0.344SS..Hα-helixtrans-61.6-37.2179.2171.30000111.6L76 K82 E83 L105L76-V80 WeakPolarHBondContact O-CB 3.25Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.23Å; V80-K82 PolarHBondContact O-N 2.66Å; V80-E83 PolarHBondContact O-N 2.74Å; V80-L105 HydrophobicContact CG1-CD2 4.03Å; V80-L105 HydrophobicContact CG2-CD1 3.8Å; V80-L105 HydrophobicContact CG2-CD2 3.78Å; V80-L105 HydrophobicContact CG2-CG 4.35Å
81A56.4Low74Confident91 Ų9162.5 Ų62.575%0.75232%0.323SS*.THydrogen-bonded Turntrans-62.1-4.1176.200000114.9K77 V79K77-A81 WeakPolarHBondContact O-CB 3.14Å; K77-A81 PolarHBondContact O-N 2.97Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.47Å
82K59.6Low74Confident170 Ų17064.4 Ų64.474%0.73933%0.332SS*.THydrogen-bonded Turntrans-111.5-22.3177.7-60.4-170.2177.9-171.60114.6V79 V80V79-K82 PolarHBondContact O-N 2.91Å; V79-K82 VanDerWaalsContact O-N 3.13Å; V80-K82 PolarHBondContact O-N 2.66Å
83E58.1Low74Confident49 Ų4967 Ų6723%0.22935%0.354CS..  trans-147.566.6-172.6-74.5174.2-172.100110.3K15 K45 V80 H85 E86K15-E83 IonicContact NZ-OE1 2.89Å; K15-E83 PolarHBondContact NZ-OE1 3.03Å; K15-E83 IonicContact NZ-OE2 2.65Å; K45-E83 IonicContact NZ-OE1 3.26Å; K45-E83 PolarHBondContact NZ-OE1 3.26Å; K45-E83 IonicContact NZ-OE2 3.79Å; K45-E83 PolarHBondContact NZ-OE2 3.26Å; V80-E83 PolarHBondContact O-N 2.74Å; E83-H85 PolarHBondContact O-N 3.02Å; E83-E86 HydrophobicContact CB-CG 4.42Å; E83-E86 PolarHBondContact O-N 3.25Å
84A53Low74.1Confident78 Ų7870.2 Ų70.265%0.64537%0.367SS*.THydrogen-bonded Turntrans-68.19.5-172.300000116.1
85H57.4Low74.1Confident182 Ų18264 Ų6484%0.84334%0.341SS*.THydrogen-bonded Turntrans-128.3-1.1-177.6-62.1-44.1000114.1E83E83-H85 PolarHBondContact O-N 3.02Å
86E69Low74.1Confident46 Ų4664.4 Ų64.422%0.21535%0.345CS..  trans-88.1132.2179.3-71.5-160.6-142.700113.2M1 L2 K15 E83M1-E86 WeakPolarHBondContact CA-OE2 3.46Å; M1-E86 PolarHBondContact N-OE2 3.49Å; L2-E86 HydrophobicContact CD1-CB 4.49Å; L2-E86 HydrophobicContact CG-CB 4.27Å; K15-E86 WeakPolarHBondContact CE-OE1 3.48Å; K15-E86 WeakPolarHBondContact CE-OE2 3.28Å; K15-E86 IonicContact NZ-OE1 3.82Å; K15-E86 PolarHBondContact NZ-OE1 3.41Å; K15-E86 IonicContact NZ-OE2 2.74Å; E83-E86 HydrophobicContact CB-CG 4.42Å; E83-E86 PolarHBondContact O-N 3.25Å
87Q78.8Confident74.2Confident104 Ų10465.7 Ų65.749%0.48636%0.359SS..  trans-64.1144.8174.5-64.2178.7300111.2M1 L2 S106 V108M1-Q87 HydrophobicContact CG-CB 4.35Å; M1-Q87 WeakPolarHBondContact CG-O 3.48Å; L2-Q87 PolarHBondContact N-O 2.91Å; Q87-S106 WeakPolarHBondContact CA-O 3.46Å; Q87-V108 HydrophobicContact CB-CG2 4.03Å; Q87-V108 HydrophobicContact CG-CG2 4.36Å
88L83.6Confident74.4Confident7 Ų760.7 Ų60.74%0.03734%0.339CS..EExtended strand (participates in β ladder)trans-112.2109.1-177.7-175.663.6000111.2L2 L4 L76 I90 I99 L105 S106 C107 V108L2-L88 HydrophobicContact CB-CD1 3.88Å; L4-L88 HydrophobicContact CB-CD1 4.19Å; L76-L88 HydrophobicContact CD2-CD2 3.9Å; L88-I90 HydrophobicContact CD2-CD1 4.04Å; L88-I90 HydrophobicContact CD2-CG1 4.4Å; L88-I90 HydrophobicContact CG-CD1 4.17Å; L88-I90 HydrophobicContact CG-CG1 4.12Å; L88-I99 HydrophobicContact CD2-CG2 4.36Å; L88-L105 HydrophobicContact CD2-CD1 4.16Å; L88-S106 PolarHBondContact N-O 3.38Å; L88-C107 CarbonylContact O-C 3.5Å; L88-C107 VanDerWaalsContact O-CA 3.32Å; L88-C107 WeakPolarHBondContact O-CA 3.32Å; L88-V108 PolarHBondContact O-N 3.03Å
89A84.9Confident74.7Confident0 Ų055.9 Ų55.90%032%0.318CS..EExtended strand (participates in β ladder)trans-77.7126.1175.900000111.6M1 L2 V3 L4 V108 V113M1-A89 HydrophobicContact CE-CB 3.95Å; M1-A89 HydrophobicContact CG-CB 4.47Å; M1-A89 HydrophobicContact SD-CB 3.95Å; L2-A89 PolarHBondContact O-N 3.08Å; V3-A89 HydrophobicContact CG1-CB 4.43Å; V3-A89 HydrophobicContact CG2-CB 4.21Å; L4-A89 PolarHBondContact N-O 3.42Å; L4-A89 VanDerWaalsContact N-O 3.09Å; A89-V108 WeakPolarHBondContact CA-O 3.29Å; A89-V113 HydrophobicContact CB-CG1 3.87Å; A89-V113 HydrophobicContact CB-CG2 3.79Å
90I84.8Confident75.3Confident3 Ų361.7 Ų61.72%0.01534%0.343CS..  trans-132.4146.7-177.2-61.6160.6000109.9L4 L88 L95 I99 C107 V108 H109L4-I90 HydrophobicContact CB-CG1 4.44Å; L88-I90 HydrophobicContact CD2-CD1 4.04Å; L88-I90 HydrophobicContact CD2-CG1 4.4Å; L88-I90 HydrophobicContact CG-CD1 4.17Å; L88-I90 HydrophobicContact CG-CG1 4.12Å; I90-L95 HydrophobicContact CG2-CB 4.38Å; I90-L95 HydrophobicContact CG2-CD2 4.27Å; I90-I99 HydrophobicContact CD1-CB 4.47Å; I90-I99 HydrophobicContact CD1-CD1 3.68Å; I90-C107 HydrophobicContact CD1-CB 4.03Å; I90-C107 VanDerWaalsContact CD1-SG 3.58Å; I90-V108 PolarHBondContact N-O 3.38Å; I90-V108 VanDerWaalsContact N-O 3.09Å; I90-H109 PolarHBondContact O-ND1 3.23Å
91S81Confident76.3Confident54 Ų5466.5 Ų66.538%0.37836%0.362SS..SBendtrans-77-37.6-178.149.60000114.4H109S91-H109 PolarHBondContact O-CE1 3.32Å; S91-H109 PolarHBondContact O-ND1 2.95Å
92D83.4Confident77.5Confident59 Ų5966.9 Ų66.932%0.31635%0.347SS..  trans-105.7125.3178.8-175.2-5.1000111.8K94 L95 G96D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 2.92Å; D92-K94 WeakPolarHBondContact OD1-CB 3.23Å; D92-K94 PolarHBondContact OD1-N 3.03Å; D92-L95 HydrophobicContact CB-CB 4.29Å; D92-L95 PolarHBondContact O-N 3.15Å; D92-G96 PolarHBondContact O-N 3Å
93A83.8Confident78.3Confident57 Ų5760.2 Ų60.247%0.47132%0.319SS..Hα-helixtrans-54.7-37.1173.200000113.5G96 G97A93-G96 PolarHBondContact O-N 2.85Å; A93-G97 PolarHBondContact O-N 3.48Å
94K86.1Confident79Confident152 Ų15265 Ų6566%0.66135%0.346SS*.Hα-helixtrans-67.7-48.2-178.5-64.3176.7-179.11760111.3D92 G96 G97 V98D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 2.92Å; D92-K94 WeakPolarHBondContact OD1-CB 3.23Å; D92-K94 PolarHBondContact OD1-N 3.03Å; K94-G96 VanDerWaalsContact C-N 3.3Å; K94-G96 PolarHBondContact O-N 3.39Å; K94-G97 PolarHBondContact O-N 3.13Å; K94-V98 WeakPolarHBondContact O-CG2 3.49Å; K94-V98 PolarHBondContact O-N 3.33Å
95L83.7Confident80Confident2 Ų262.3 Ų62.31%0.0132%0.321CS..Hα-helixtrans-63.4-38.6175.5-173.366.5000110.9L63 L72 I90 D92 V98 I99L63-L95 HydrophobicContact CD1-CD2 3.86Å; L72-L95 HydrophobicContact CD2-CD1 4.43Å; I90-L95 HydrophobicContact CG2-CB 4.38Å; I90-L95 HydrophobicContact CG2-CD2 4.27Å; D92-L95 HydrophobicContact CB-CB 4.29Å; D92-L95 PolarHBondContact O-N 3.15Å; L95-V98 PolarHBondContact O-N 2.76Å; L95-I99 HydrophobicContact CD1-CD1 4.33Å; L95-I99 HydrophobicContact CD2-CD1 4.45Å; L95-I99 HydrophobicContact CG-CD1 3.91Å; L95-I99 WeakPolarHBondContact O-CB 3.41Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.55Å
96G82.4Confident80.9Confident8 Ų856.5 Ų56.58%0.08230%0.301CS..Hα-helixtrans-58.7-46.4172.900000113.6D92 A93 K94 I99 K100D92-G96 PolarHBondContact O-N 3Å; A93-G96 PolarHBondContact O-N 2.85Å; K94-G96 VanDerWaalsContact C-N 3.3Å; K94-G96 PolarHBondContact O-N 3.39Å; G96-I99 PolarHBondContact O-N 3Å; G96-K100 WeakPolarHBondContact O-CB 3.38Å; G96-K100 PolarHBondContact O-N 3.38Å
97G82.6Confident81.4Confident30 Ų3055.8 Ų55.831%0.30930%0.301SS..Hα-helixtrans-59.6-49.6173.900000112.2A93 K94 I99 K100 E101A93-G97 PolarHBondContact O-N 3.48Å; K94-G97 PolarHBondContact O-N 3.13Å; G97-I99 VanDerWaalsContact C-N 3.29Å; G97-I99 PolarHBondContact O-N 2.9Å; G97-K100 WeakPolarHBondContact O-CB 3.38Å; G97-K100 PolarHBondContact O-N 3.4Å; G97-K100 VanDerWaalsContact O-N 3.16Å; G97-E101 WeakPolarHBondContact O-CG 3.38Å; G97-E101 PolarHBondContact O-N 2.85Å
98V84.9Confident81.5Confident29 Ų2952.9 Ų52.918%0.17629%0.29CS..Hα-helixtrans-68-25.1-178.91740000113.2L68 K94 L95 K102L68-V98 HydrophobicContact CB-CG1 4.28Å; K94-V98 WeakPolarHBondContact O-CG2 3.49Å; K94-V98 PolarHBondContact O-N 3.33Å; L95-V98 PolarHBondContact O-N 2.76Å; V98-K102 HydrophobicContact CG1-CD 3.91Å; V98-K102 WeakPolarHBondContact O-CB 3.36Å; V98-K102 WeakPolarHBondContact O-CD 3.26Å; V98-K102 VanDerWaalsContact O-CG 3.31Å; V98-K102 WeakPolarHBondContact O-CG 3.43Å
99I83.8Confident81.4Confident0 Ų057.6 Ų57.60%031%0.312CS..Hα-helixtrans-74.4-47.7169.6-76.4167.2000110.5L4 L68 L76 L88 I90 L95 G96 G97 E101 K102 L103 L105 C107L4-I99 HydrophobicContact CD2-CD1 4.31Å; L68-I99 HydrophobicContact CD1-CD1 4.23Å; L68-I99 HydrophobicContact CD1-CG1 3.54Å; L76-I99 HydrophobicContact CD1-CD1 4.02Å; L76-I99 HydrophobicContact CD1-CG1 4.19Å; L76-I99 HydrophobicContact CD1-CG2 4.41Å; L88-I99 HydrophobicContact CD2-CG2 4.36Å; I90-I99 HydrophobicContact CD1-CB 4.47Å; I90-I99 HydrophobicContact CD1-CD1 3.68Å; L95-I99 HydrophobicContact CD1-CD1 4.33Å; L95-I99 HydrophobicContact CD2-CD1 4.45Å; L95-I99 HydrophobicContact CG-CD1 3.91Å; L95-I99 WeakPolarHBondContact O-CB 3.41Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.55Å; G96-I99 PolarHBondContact O-N 3Å; G97-I99 VanDerWaalsContact C-N 3.29Å; G97-I99 PolarHBondContact O-N 2.9Å; I99-E101 VanDerWaalsContact C-N 3.32Å; I99-E101 PolarHBondContact O-N 2.84Å; I99-K102 PolarHBondContact O-N 3.18Å; I99-K102 VanDerWaalsContact O-N 3.08Å; I99-L103 HydrophobicContact CG2-CD1 4.36Å; I99-L103 PolarHBondContact O-N 3.05Å; I99-L105 HydrophobicContact CG2-CB 4.39Å; I99-L105 HydrophobicContact CG2-CD1 3.93Å; I99-C107 WeakPolarHBondContact CG2-SG 3.37Å
100K83Confident81.2Confident131 Ų13159.4 Ų59.457%0.5732%0.324SS*.Hα-helixtrans-55.4-45.3177.8-178.1175.6179.9-177.60111.8G96 G97 K102 D104G96-K100 WeakPolarHBondContact O-CB 3.38Å; G96-K100 PolarHBondContact O-N 3.38Å; G97-K100 WeakPolarHBondContact O-CB 3.38Å; G97-K100 PolarHBondContact O-N 3.4Å; G97-K100 VanDerWaalsContact O-N 3.16Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 2.76Å; K100-D104 WeakPolarHBondContact O-CA 3.32Å; K100-D104 PolarHBondContact O-N 2.87Å; K100-D104 VanDerWaalsContact O-N 3.13Å
101E82.3Confident81.1Confident144 Ų14464.3 Ų64.367%0.67336%0.356SS*.Hα-helixtrans-65.9-20.7177.2-72.4172.1-178.700115.4G97 I99G97-E101 WeakPolarHBondContact O-CG 3.38Å; G97-E101 PolarHBondContact O-N 2.85Å; I99-E101 VanDerWaalsContact C-N 3.32Å; I99-E101 PolarHBondContact O-N 2.84Å
102K81.6Confident81.1Confident99 Ų9962.6 Ų62.643%0.4335%0.345SS..Hα-helixtrans-120.1-6.9-167.2-67.3177.7-175.3168.20114.7L68 V98 I99 K100L68-K102 HydrophobicContact CB-CD 4.5Å; L68-K102 HydrophobicContact CD2-CB 4.4Å; V98-K102 HydrophobicContact CG1-CD 3.91Å; V98-K102 WeakPolarHBondContact O-CB 3.36Å; V98-K102 WeakPolarHBondContact O-CD 3.26Å; V98-K102 VanDerWaalsContact O-CG 3.31Å; V98-K102 WeakPolarHBondContact O-CG 3.43Å; I99-K102 PolarHBondContact O-N 3.18Å; I99-K102 VanDerWaalsContact O-N 3.08Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 2.76Å
103L76.3Confident81.1Confident30 Ų3060 Ų6016%0.15733%0.332CS..Hα-helixtrans-143.91.7-177.3-66.4173.1000113L68 L76 K77 I99 L105L68-L103 HydrophobicContact CD2-CD1 4.44Å; L76-L103 HydrophobicContact CB-CD1 3.79Å; L76-L103 HydrophobicContact CD1-CD1 3.53Å; L76-L103 HydrophobicContact CG-CD1 4.31Å; K77-L103 HydrophobicContact CG-CD2 4.4Å; I99-L103 HydrophobicContact CG2-CD1 4.36Å; I99-L103 PolarHBondContact O-N 3.05Å; L103-L105 HydrophobicContact CB-CD1 3.89Å; L103-L105 HydrophobicContact CB-CG 4.07Å; L103-L105 HydrophobicContact CD1-CD1 4.25Å; L103-L105 PolarHBondContact O-N 3.15Å
104D72.3Confident81.1Confident150 Ų15059.6 Ų59.680%0.80233%0.328SS*.  trans57.628.5176.8-55.6-63.8000114.9K100K100-D104 WeakPolarHBondContact O-CA 3.32Å; K100-D104 PolarHBondContact O-N 2.87Å; K100-D104 VanDerWaalsContact O-N 3.13Å
105L74.9Confident81Confident22 Ų2255.3 Ų55.312%0.11531%0.311CS..  trans-89.4144.4-176.1-68168.1000113.5V80 L88 I99 L103 C107V80-L105 HydrophobicContact CG1-CD2 4.03Å; V80-L105 HydrophobicContact CG2-CD1 3.8Å; V80-L105 HydrophobicContact CG2-CD2 3.78Å; V80-L105 HydrophobicContact CG2-CG 4.35Å; L88-L105 HydrophobicContact CD2-CD1 4.16Å; I99-L105 HydrophobicContact CG2-CB 4.39Å; I99-L105 HydrophobicContact CG2-CD1 3.93Å; L103-L105 HydrophobicContact CB-CD1 3.89Å; L103-L105 HydrophobicContact CB-CG 4.07Å; L103-L105 HydrophobicContact CD1-CD1 4.25Å; L103-L105 PolarHBondContact O-N 3.15Å; L105-C107 VanDerWaalsContact C-N 3.3Å; L105-C107 PolarHBondContact O-N 3.21Å
106S75.5Confident81Confident59 Ų5955.3 Ų55.341%0.41331%0.31SS..  trans-75.178.3169.346.10000111.3Q87 L88Q87-S106 WeakPolarHBondContact CA-O 3.46Å; L88-S106 PolarHBondContact N-O 3.38Å
107C79Confident81.1Confident32 Ų3255 Ų5522%0.21631%0.307CS..EExtended strand (participates in β ladder)trans-72.3133174.2-64.40000112L88 I90 I99 L105L88-C107 CarbonylContact O-C 3.5Å; L88-C107 VanDerWaalsContact O-CA 3.32Å; L88-C107 WeakPolarHBondContact O-CA 3.32Å; I90-C107 HydrophobicContact CD1-CB 4.03Å; I90-C107 VanDerWaalsContact CD1-SG 3.58Å; I99-C107 WeakPolarHBondContact CG2-SG 3.37Å; L105-C107 VanDerWaalsContact C-N 3.3Å; L105-C107 PolarHBondContact O-N 3.21Å
108V82.4Confident81.3Confident42 Ų4261 Ų6126%0.25532%0.32SS..EExtended strand (participates in β ladder)trans-116.3132.2177.3177.60000110Q87 L88 A89 I90 V113Q87-V108 HydrophobicContact CB-CG2 4.03Å; Q87-V108 HydrophobicContact CG-CG2 4.36Å; L88-V108 PolarHBondContact O-N 3.03Å; A89-V108 WeakPolarHBondContact CA-O 3.29Å; I90-V108 PolarHBondContact N-O 3.38Å; I90-V108 VanDerWaalsContact N-O 3.09Å; V108-V113 HydrophobicContact CG1-CG2 4.46Å
109H80.1Confident81.3Confident107 Ų10759.9 Ų59.950%0.49531%0.314SS..  trans-132123171.5177.156.9000108.2I90 S91I90-H109 PolarHBondContact O-ND1 3.23Å; S91-H109 PolarHBondContact O-CE1 3.32Å; S91-H109 PolarHBondContact O-ND1 2.95Å
110S81.8Confident81.4Confident37 Ų3759.9 Ų59.926%0.25931%0.314SS..  trans-152.4162.9179.873.30000110.7A112 V113 A114S110-A112 PolarHBondContact O-N 3.48Å; S110-V113 WeakPolarHBondContact O-CB 3.49Å; S110-V113 PolarHBondContact O-N 2.75Å; S110-V113 PolarHBondContact OG-N 2.9Å; S110-A114 PolarHBondContact O-N 2.83Å; S110-A114 VanDerWaalsContact O-N 3.13Å
111P81.8Confident81.5Confident106 Ų10660.1 Ų60.169%0.68831%0.311SS*.Hα-helixtrans-57.6-35.4173.7-2635.9000113.1V113 A114 E115P111-V113 VanDerWaalsContact C-N 3.32Å; P111-V113 PolarHBondContact O-N 3.42Å; P111-A114 WeakPolarHBondContact O-CB 2.98Å; P111-A114 PolarHBondContact O-N 3.08Å; P111-A114 VanDerWaalsContact O-N 3.09Å; P111-E115 PolarHBondContact O-N 3.49Å; P111-E115 VanDerWaalsContact O-N 3.08Å
112A81.8Confident81.7Confident18 Ų1857.4 Ų57.415%0.14931%0.308CS..Hα-helixtrans-61.6-38.7174.500000112.3V25 S110 A114 L116V25-A112 HydrophobicContact CG2-CB 3.87Å; S110-A112 PolarHBondContact O-N 3.48Å; A112-A114 VanDerWaalsContact C-N 3.35Å; A112-L116 WeakPolarHBondContact O-CB 3.36Å; A112-L116 PolarHBondContact O-N 2.86Å
113V83Confident81.8Confident5 Ų554.5 Ų54.53%0.0330%0.296CS..Hα-helixtrans-65.9-37.4172.7171.40000111.1A89 V108 S110 P111 L116 M117A89-V113 HydrophobicContact CB-CG1 3.87Å; A89-V113 HydrophobicContact CB-CG2 3.79Å; V108-V113 HydrophobicContact CG1-CG2 4.46Å; S110-V113 WeakPolarHBondContact O-CB 3.49Å; S110-V113 PolarHBondContact O-N 2.75Å; S110-V113 PolarHBondContact OG-N 2.9Å; P111-V113 VanDerWaalsContact C-N 3.32Å; P111-V113 PolarHBondContact O-N 3.42Å; V113-L116 PolarHBondContact O-N 3.15Å; V113-M117 HydrophobicContact CG1-CE 4.14Å; V113-M117 HydrophobicContact CG1-CG 4.27Å; V113-M117 WeakPolarHBondContact O-CB 3.45Å; V113-M117 WeakPolarHBondContact O-CG 3.3Å; V113-M117 PolarHBondContact O-N 3.42Å
114A83.8Confident81.9Confident49 Ų4955 Ų5541%0.40530%0.298SS..Hα-helixtrans-64.3-43.1178.400000112.6S110 P111 A112 M117 R118S110-A114 PolarHBondContact O-N 2.83Å; S110-A114 VanDerWaalsContact O-N 3.13Å; P111-A114 WeakPolarHBondContact O-CB 2.98Å; P111-A114 PolarHBondContact O-N 3.08Å; P111-A114 VanDerWaalsContact O-N 3.09Å; A112-A114 VanDerWaalsContact C-N 3.35Å; A114-M117 PolarHBondContact O-N 3.24Å; A114-R118 PolarHBondContact O-N 3.45Å
115E83.9Confident82.2Confident62 Ų6254.6 Ų54.629%0.2929%0.291SS..Hα-helixtrans-71.6-34.4174.3-77.9-61149.400112.7V25 P111 M117 R118 C119V25-E115 HydrophobicContact CG1-CB 4.27Å; V25-E115 HydrophobicContact CG1-CG 4.11Å; P111-E115 PolarHBondContact O-N 3.49Å; P111-E115 VanDerWaalsContact O-N 3.08Å; E115-M117 VanDerWaalsContact C-N 3.32Å; E115-M117 PolarHBondContact O-N 3.25Å; E115-R118 WeakPolarHBondContact O-CA 3.36Å; E115-R118 VanDerWaalsContact O-CB 3.28Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.34Å; E115-R118 IonicContact OE1-CZ 3.97Å; E115-R118 IonicContact OE1-NH1 2.65Å; E115-R118 PolarHBondContact OE1-NH1 3.05Å; E115-R118 WeakPolarHBondContact OE2-CD 3.27Å; E115-R118 IonicContact OE2-NE 2.65Å; E115-R118 IonicContact OE2-NH1 3.74Å; E115-R118 PolarHBondContact OE2-NH1 3.34Å; E115-C119 PolarHBondContact O-N 3.46Å; E115-C119 PolarHBondContact O-SG 2.91Å
116L83.8Confident82.4Confident1 Ų155.6 Ų55.61%0.00530%0.302CS..Hα-helixtrans-59.4-43.5169.5-174.666.2000111.5M1 V3 V16 L22 L28 F32 L42 A112 V113 R118 C119 I120M1-L116 HydrophobicContact CE-CD2 4.36Å; V3-L116 HydrophobicContact CG2-CD2 3.86Å; V16-L116 HydrophobicContact CG2-CD2 4.34Å; L22-L116 HydrophobicContact CD2-CD1 3.98Å; L22-L116 HydrophobicContact CD2-CD2 3.9Å; L22-L116 HydrophobicContact CD2-CG 4.37Å; L28-L116 HydrophobicContact CD2-CB 4.23Å; L28-L116 HydrophobicContact CD2-CD1 4.22Å; F32-L116 HydrophobicContact CE2-CD1 4.25Å; F32-L116 HydrophobicContact CZ-CD1 3.98Å; L42-L116 HydrophobicContact CD1-CD1 4.24Å; L42-L116 HydrophobicContact CD2-CD1 4.35Å; A112-L116 WeakPolarHBondContact O-CB 3.36Å; A112-L116 PolarHBondContact O-N 2.86Å; V113-L116 PolarHBondContact O-N 3.15Å; L116-R118 PolarHBondContact O-N 2.99Å; L116-C119 PolarHBondContact O-N 3.07Å; L116-I120 HydrophobicContact CG-CD1 4.18Å; L116-I120 VanDerWaalsContact O-CG1 3.32Å; L116-I120 WeakPolarHBondContact O-CG1 3.19Å; L116-I120 PolarHBondContact O-N 2.97Å
117M85.9Confident82.5Confident2 Ų253.1 Ų53.11%0.0129%0.285CS..Hα-helixtrans-66.9-22.2174.3-64.4-75.1-168.400112.8V3 L4 F5 V113 A114 E115 R121V3-M117 HydrophobicContact CG1-CE 3.39Å; V3-M117 HydrophobicContact CG1-SD 3.7Å; L4-M117 WeakPolarHBondContact O-CE 3.5Å; F5-M117 HydrophobicContact CD2-SD 3.84Å; V113-M117 HydrophobicContact CG1-CE 4.14Å; V113-M117 HydrophobicContact CG1-CG 4.27Å; V113-M117 WeakPolarHBondContact O-CB 3.45Å; V113-M117 WeakPolarHBondContact O-CG 3.3Å; V113-M117 PolarHBondContact O-N 3.42Å; A114-M117 PolarHBondContact O-N 3.24Å; E115-M117 VanDerWaalsContact C-N 3.32Å; E115-M117 PolarHBondContact O-N 3.25Å; M117-R121 WeakPolarHBondContact O-CG 3.31Å; M117-R121 PolarHBondContact O-N 3.48Å; M117-R121 PolarHBondContact O-NE 2.88Å; M117-R121 PolarHBondContact O-NH2 2.93Å
118R85.8Confident82.4Confident156 Ų15651.7 Ų51.759%0.58928%0.275SS*.Hα-helixtrans-75.5-43.8171.7-167.9-169-172.1167.1-6.8110.8A114 E115 L116 R121 S122A114-R118 PolarHBondContact O-N 3.45Å; E115-R118 WeakPolarHBondContact O-CA 3.36Å; E115-R118 VanDerWaalsContact O-CB 3.28Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.34Å; E115-R118 IonicContact OE1-CZ 3.97Å; E115-R118 IonicContact OE1-NH1 2.65Å; E115-R118 PolarHBondContact OE1-NH1 3.05Å; E115-R118 WeakPolarHBondContact OE2-CD 3.27Å; E115-R118 IonicContact OE2-NE 2.65Å; E115-R118 IonicContact OE2-NH1 3.74Å; E115-R118 PolarHBondContact OE2-NH1 3.34Å; L116-R118 PolarHBondContact O-N 2.99Å; R118-R121 WeakPolarHBondContact O-CA 2.96Å; R118-R121 WeakPolarHBondContact O-CB 3.44Å; R118-R121 PolarHBondContact O-N 3.32Å; R118-R121 VanDerWaalsContact O-N 3.08Å; R118-S122 PolarHBondContact O-N 3.21Å
119C84.9Confident81.9Confident5 Ų554.6 Ų54.63%0.03430%0.297CS..Hα-helixtrans-64.3-38.4175.9-640000112.8F32 E115 L116 R121 S122 Q123F32-C119 HydrophobicContact CB-CB 3.96Å; F32-C119 HydrophobicContact CD1-CB 3.94Å; F32-C119 HydrophobicContact CD2-CB 3.52Å; F32-C119 HydrophobicContact CE1-CB 4.33Å; F32-C119 HydrophobicContact CE2-CB 3.95Å; F32-C119 HydrophobicContact CG-CB 3.53Å; F32-C119 HydrophobicContact CZ-CB 4.34Å; E115-C119 PolarHBondContact O-N 3.46Å; E115-C119 PolarHBondContact O-SG 2.91Å; L116-C119 PolarHBondContact O-N 3.07Å; C119-R121 VanDerWaalsContact C-N 3.29Å; C119-R121 PolarHBondContact O-N 3.18Å; C119-S122 PolarHBondContact O-N 3.11Å; C119-S122 PolarHBondContact O-OG 3.43Å; C119-Q123 PolarHBondContact O-N 3.17Å
120I85.7Confident81.5Confident1 Ų153.1 Ų53.11%0.00531%0.311CS..Hα-helixtrans-63.5-35.6171.1-68.3164.5000111.1V3 F5 F14 L42 L116 M124 L127V3-I120 HydrophobicContact CG1-CD1 3.9Å; F5-I120 HydrophobicContact CB-CG2 4.33Å; F5-I120 HydrophobicContact CD1-CG2 3.65Å; F5-I120 HydrophobicContact CD2-CG2 3.84Å; F5-I120 HydrophobicContact CE1-CG2 3.86Å; F5-I120 HydrophobicContact CE2-CG2 4.07Å; F5-I120 HydrophobicContact CG-CG2 3.64Å; F5-I120 HydrophobicContact CZ-CG2 4.1Å; F14-I120 HydrophobicContact CD2-CD1 4.25Å; F14-I120 HydrophobicContact CD2-CG2 4.31Å; F14-I120 HydrophobicContact CE2-CG2 3.73Å; F14-I120 HydrophobicContact CZ-CG2 4.3Å; L42-I120 HydrophobicContact CD1-CD1 3.72Å; L42-I120 HydrophobicContact CD1-CG1 3.39Å; L116-I120 HydrophobicContact CG-CD1 4.18Å; L116-I120 VanDerWaalsContact O-CG1 3.32Å; L116-I120 WeakPolarHBondContact O-CG1 3.19Å; L116-I120 PolarHBondContact O-N 2.97Å; I120-M124 WeakPolarHBondContact O-CA 3.39Å; I120-M124 PolarHBondContact O-N 3.47Å; I120-M124 VanDerWaalsContact O-N 3.13Å; I120-L127 HydrophobicContact CG2-CD1 4.43Å
121R85.6Confident81.1Confident136 Ų13652.3 Ų52.351%0.51330%0.303SS..Hα-helixtrans-69-39.6177.1-89.2174.4-78.5-143.15.8113.3F5 M117 R118 C119 M124F5-R121 HydrophobicContact CE2-CG 3.7Å; F5-R121 HydrophobicContact CZ-CG 3.5Å; F5-R121 VanDerWaalsContact CZ-CG 3.5Å; M117-R121 WeakPolarHBondContact O-CG 3.31Å; M117-R121 PolarHBondContact O-N 3.48Å; M117-R121 PolarHBondContact O-NE 2.88Å; M117-R121 PolarHBondContact O-NH2 2.93Å; R118-R121 WeakPolarHBondContact O-CA 2.96Å; R118-R121 WeakPolarHBondContact O-CB 3.44Å; R118-R121 PolarHBondContact O-N 3.32Å; R118-R121 VanDerWaalsContact O-N 3.08Å; C119-R121 VanDerWaalsContact C-N 3.29Å; C119-R121 PolarHBondContact O-N 3.18Å; R121-M124 HydrophobicContact CG-CE 4.04Å
122S85.1Confident81.1Confident86 Ų8650 Ų5060%0.60129%0.289SS*.Hα-helixtrans-67.9-34.9176.848.80000112.8R118 C119R118-S122 PolarHBondContact O-N 3.21Å; C119-S122 PolarHBondContact O-N 3.11Å; C119-S122 PolarHBondContact O-OG 3.43Å
123Q83.6Confident81Confident38 Ų3852 Ų5218%0.17830%0.3CS..THydrogen-bonded Turntrans-102.417.1-176.7-152.856.132.600114.1A38 C119 E125 A126 L127A38-Q123 HydrophobicContact CB-CG 4.15Å; C119-Q123 PolarHBondContact O-N 3.17Å; Q123-E125 VanDerWaalsContact C-N 3.3Å; Q123-E125 PolarHBondContact O-N 3.42Å; Q123-A126 HydrophobicContact CG-CB 4.3Å; Q123-A126 PolarHBondContact O-N 3.38Å; Q123-A126 VanDerWaalsContact O-N 3.15Å; Q123-L127 HydrophobicContact CB-CD1 4.01Å; Q123-L127 HydrophobicContact CB-CG 4.32Å; Q123-L127 HydrophobicContact CG-CG 4.41Å; Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 2.66Å; Q123-L127 VanDerWaalsContact O-N 3.1Å
124M79.6Confident81.1Confident41 Ų4162.3 Ų62.320%0.20234%0.338CS..Hα-helixtrans-56.1-40.3-171.2-166.2-173.8-4300113.5F5 T7 I120 R121 A126 L127 I128F5-M124 HydrophobicContact CE1-CE 3.89Å; F5-M124 HydrophobicContact CE1-CG 4.18Å; F5-M124 HydrophobicContact CE1-SD 4.08Å; F5-M124 HydrophobicContact CZ-CE 3.76Å; T7-M124 HydrophobicContact CG2-SD 3.94Å; I120-M124 WeakPolarHBondContact O-CA 3.39Å; I120-M124 PolarHBondContact O-N 3.47Å; I120-M124 VanDerWaalsContact O-N 3.13Å; R121-M124 HydrophobicContact CG-CE 4.04Å; M124-A126 VanDerWaalsContact C-N 3.27Å; M124-A126 PolarHBondContact O-N 3.47Å; M124-L127 PolarHBondContact O-N 2.59Å; M124-I128 HydrophobicContact CG-CD1 3.77Å; M124-I128 HydrophobicContact CG-CG1 4.36Å; M124-I128 PolarHBondContact O-N 3.1Å; M124-I128 HydrophobicContact SD-CD1 4.46Å
125E78.4Confident81.2Confident141 Ų14163.8 Ų63.866%0.65934%0.337SS*.Hα-helixtrans-63.4-30.1-177.7-57.6-173.4164.200113.3Q123 P133Q123-E125 VanDerWaalsContact C-N 3.3Å; Q123-E125 PolarHBondContact O-N 3.42Å; E125-P133 HydrophobicContact CG-CB 4.37Å; E125-P133 WeakPolarHBondContact OE1-CB 3.34Å
126A79.1Confident81.2Confident43 Ų4362.1 Ų62.136%0.35533%0.33SS..Hα-helixtrans-95.8-21.5178.400000113.2P35 Q123 M124P35-A126 HydrophobicContact CB-CB 3.86Å; Q123-A126 HydrophobicContact CG-CB 4.3Å; Q123-A126 PolarHBondContact O-N 3.38Å; Q123-A126 VanDerWaalsContact O-N 3.15Å; M124-A126 VanDerWaalsContact C-N 3.27Å; M124-A126 PolarHBondContact O-N 3.47Å
127L78.4Confident81.4Confident7 Ų765.8 Ų65.84%0.03736%0.355CS..Hα-helixtrans-85.5-22.6179.6-73.7174.6000113.3F14 A38 I120 Q123 M124F14-L127 HydrophobicContact CE1-CB 3.87Å; F14-L127 HydrophobicContact CE1-CD2 4.46Å; F14-L127 HydrophobicContact CZ-CB 4Å; A38-L127 HydrophobicContact CB-CD2 4.4Å; I120-L127 HydrophobicContact CG2-CD1 4.43Å; Q123-L127 HydrophobicContact CB-CD1 4.01Å; Q123-L127 HydrophobicContact CB-CG 4.32Å; Q123-L127 HydrophobicContact CG-CG 4.41Å; Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 2.66Å; Q123-L127 VanDerWaalsContact O-N 3.1Å; M124-L127 PolarHBondContact O-N 2.59Å
128I77.1Confident81.6Confident3 Ų368.6 Ų68.62%0.01538%0.379CS..SBendtrans-112.185.5177.4-53.9-178.6000109T7 A12 F14 F47 M124 L131T7-I128 HydrophobicContact CG2-CD1 3.94Å; A12-I128 HydrophobicContact CB-CD1 4.3Å; F14-I128 HydrophobicContact CZ-CG1 4.25Å; F47-I128 HydrophobicContact CD1-CG2 4.3Å; F47-I128 HydrophobicContact CD2-CG2 4.12Å; F47-I128 HydrophobicContact CE1-CG2 4.13Å; F47-I128 HydrophobicContact CE2-CD1 4.28Å; F47-I128 HydrophobicContact CE2-CG2 3.96Å; F47-I128 HydrophobicContact CG-CG2 4.29Å; F47-I128 HydrophobicContact CZ-CG2 3.97Å; M124-I128 HydrophobicContact CG-CD1 3.77Å; M124-I128 HydrophobicContact CG-CG1 4.36Å; M124-I128 PolarHBondContact O-N 3.1Å; M124-I128 HydrophobicContact SD-CD1 4.46Å; I128-L131 HydrophobicContact CG2-CD1 4.48Å
129S70.5Confident81.7Confident102 Ų10263.9 Ų63.971%0.71336%0.364SS*.THydrogen-bonded Turntrans-66.7138.4177.451.10000112.1
130G71.8Confident81.9Confident77 Ų7766.7 Ų66.779%0.79438%0.384SS*.THydrogen-bonded Turntrans97.59.1174.300000116.6
131L74Confident82.2Confident19 Ų1971.4 Ų71.410%0.09941%0.409CS..  trans-128.6123.4168.2-67.8-179.9000110.8A9 F47 K49 I128 I136A9-L131 HydrophobicContact CB-CD1 3.67Å; F47-L131 HydrophobicContact CE1-CD1 3.77Å; F47-L131 HydrophobicContact CE1-CG 4.46Å; F47-L131 HydrophobicContact CZ-CD1 3.72Å; K49-L131 HydrophobicContact CD-CD2 4.11Å; K49-L131 VanDerWaalsContact NZ-CD2 3.33Å; I128-L131 HydrophobicContact CG2-CD1 4.48Å; L131-I136 HydrophobicContact CB-CD1 4.01Å; L131-I136 HydrophobicContact CB-CG1 3.97Å; L131-I136 HydrophobicContact CD1-CG1 4.29Å
132P81.5Confident82.4Confident59 Ų5966.1 Ų66.138%0.38340%0.397SS..  trans-73.7148.6174.430-33.3000111.1R134 E135 I136P132-R134 PolarHBondContact O-N 3Å; P132-R134 VanDerWaalsContact O-N 3.1Å; P132-E135 VanDerWaalsContact CD-OE1 3.31Å; P132-E135 WeakPolarHBondContact CD-OE1 3.35Å; P132-E135 HydrophobicContact CG-CB 4.02Å; P132-E135 HydrophobicContact CG-CG 3.85Å; P132-E135 WeakPolarHBondContact CG-OE1 3.32Å; P132-E135 WeakPolarHBondContact O-CB 3.39Å; P132-E135 PolarHBondContact O-N 2.99Å; P132-I136 PolarHBondContact O-N 3.02Å
133P79.8Confident82.6Confident59 Ų5963.4 Ų63.438%0.38338%0.376SS..Hα-helixtrans-62.7-25.7-173.823.8-34.3000113.6E125 I136 S137E125-P133 HydrophobicContact CG-CB 4.37Å; E125-P133 WeakPolarHBondContact OE1-CB 3.34Å; P133-I136 PolarHBondContact O-N 2.89Å; P133-S137 WeakPolarHBondContact O-CB 3.34Å; P133-S137 PolarHBondContact O-N 2.87Å; P133-S137 PolarHBondContact O-OG 3.44Å
134R85.8Confident83Confident221 Ų22163.8 Ų63.883%0.83439%0.385SS*.Hα-helixtrans-64.5-37.7172.8-173.2175.8178.7176.3-1.1112.7P132 A138P132-R134 PolarHBondContact O-N 3Å; P132-R134 VanDerWaalsContact O-N 3.1Å; R134-A138 WeakPolarHBondContact O-CB 3.42Å; R134-A138 PolarHBondContact O-N 3.18Å; R134-A138 VanDerWaalsContact O-N 3.07Å
135E85.3Confident83.4Confident80 Ų8066.4 Ų66.437%0.37440%0.397SS..Hα-helixtrans-69.8-46.4175.3-85.8179.8-125.800111.3K49 P132 S137 A138 M139K49-E135 IonicContact NZ-OE2 2.62Å; P132-E135 VanDerWaalsContact CD-OE1 3.31Å; P132-E135 WeakPolarHBondContact CD-OE1 3.35Å; P132-E135 HydrophobicContact CG-CB 4.02Å; P132-E135 HydrophobicContact CG-CG 3.85Å; P132-E135 WeakPolarHBondContact CG-OE1 3.32Å; P132-E135 WeakPolarHBondContact O-CB 3.39Å; P132-E135 PolarHBondContact O-N 2.99Å; E135-S137 PolarHBondContact O-N 2.83Å; E135-A138 PolarHBondContact O-N 2.92Å; E135-A138 VanDerWaalsContact O-N 3.08Å; E135-M139 HydrophobicContact CB-CE 4.08Å; E135-M139 VanDerWaalsContact O-CG 3.31Å; E135-M139 WeakPolarHBondContact O-CG 3.42Å; E135-M139 PolarHBondContact O-N 2.94Å
136I83.8Confident83.8Confident27 Ų2761.3 Ų61.314%0.13838%0.377CS..Hα-helixtrans-57.9-42.2178.4-58.1175.4000110.2L131 P132 P133 M139 S140L131-I136 HydrophobicContact CB-CD1 4.01Å; L131-I136 HydrophobicContact CB-CG1 3.97Å; L131-I136 HydrophobicContact CD1-CG1 4.29Å; P132-I136 PolarHBondContact O-N 3.02Å; P133-I136 PolarHBondContact O-N 2.89Å; I136-M139 PolarHBondContact O-N 3.04Å; I136-S140 WeakPolarHBondContact O-CB 3.31Å; I136-S140 PolarHBondContact O-N 2.91Å
137S87.5Confident84.2Confident78 Ų7861 Ų6155%0.54537%0.369SS..Hα-helixtrans-62.7-43.7174.9-59.10000112.6P133 E135 S140 L141P133-S137 WeakPolarHBondContact O-CB 3.34Å; P133-S137 PolarHBondContact O-N 2.87Å; P133-S137 PolarHBondContact O-OG 3.44Å; E135-S137 PolarHBondContact O-N 2.83Å; S137-S140 PolarHBondContact O-N 3.08Å; S137-L141 WeakPolarHBondContact O-CB 3.41Å; S137-L141 PolarHBondContact O-N 3.27Å
138A89.6Confident84.6Confident62 Ų6263.3 Ų63.351%0.51239%0.386SS..Hα-helixtrans-67.4-40.7177.900000112.6R134 E135 L141 G142R134-A138 WeakPolarHBondContact O-CB 3.42Å; R134-A138 PolarHBondContact O-N 3.18Å; R134-A138 VanDerWaalsContact O-N 3.07Å; E135-A138 PolarHBondContact O-N 2.92Å; E135-A138 VanDerWaalsContact O-N 3.08Å; A138-L141 PolarHBondContact O-N 2.85Å; A138-G142 PolarHBondContact O-N 3.48Å
139M88.5Confident85Confident56 Ų5671.7 Ų71.728%0.27642%0.417SS..Hα-helixtrans-63.2-43.3174.3-68.4170.7-168.400111.1A9 E135 I136 G142 L143A9-M139 HydrophobicContact CB-SD 3.65Å; E135-M139 HydrophobicContact CB-CE 4.08Å; E135-M139 VanDerWaalsContact O-CG 3.31Å; E135-M139 WeakPolarHBondContact O-CG 3.42Å; E135-M139 PolarHBondContact O-N 2.94Å; I136-M139 PolarHBondContact O-N 3.04Å; M139-G142 PolarHBondContact O-N 3.21Å; M139-L143 VanDerWaalsContact O-CB 3.31Å; M139-L143 WeakPolarHBondContact O-CB 3.3Å; M139-L143 PolarHBondContact O-N 3.3Å
140S89.1Confident85.5Confident64 Ų6472.4 Ų72.445%0.44841%0.405SS..Hα-helixtrans-59-47.8174.5-171.70000112.1I136 S137 L143 A144I136-S140 WeakPolarHBondContact O-CB 3.31Å; I136-S140 PolarHBondContact O-N 2.91Å; S137-S140 PolarHBondContact O-N 3.08Å; S140-L143 PolarHBondContact O-N 3.3Å; S140-A144 VanDerWaalsContact O-CB 3.25Å; S140-A144 WeakPolarHBondContact O-CB 3.46Å; S140-A144 PolarHBondContact O-N 3.21Å
141L91.8Very high86Confident100 Ų10074.8 Ų74.852%0.52439%0.393SS..Hα-helixtrans-63.3-43176.6-176.663000112.4S137 A138 A144 H145S137-L141 WeakPolarHBondContact O-CB 3.41Å; S137-L141 PolarHBondContact O-N 3.27Å; A138-L141 PolarHBondContact O-N 2.85Å; L141-A144 PolarHBondContact O-N 3.22Å; L141-H145 WeakPolarHBondContact O-CB 3.31Å; L141-H145 PolarHBondContact O-N 3.46Å; L141-H145 PolarHBondContact O-ND1 3.05Å
142G90.3Very high86.2Confident26 Ų2680.1 Ų80.127%0.26842%0.422SS..Hα-helixtrans-63-42.5177.100000113A138 M139 S146A138-G142 PolarHBondContact O-N 3.48Å; M139-G142 PolarHBondContact O-N 3.21Å; G142-S146 WeakPolarHBondContact O-CB 3.49Å; G142-S146 PolarHBondContact O-N 3.15Å; G142-S146 PolarHBondContact O-OG 3.22Å
143L90Very high85.4Confident29 Ų2985.8 Ų85.815%0.15244%0.44CS..Hα-helixtrans-67.5-43.5175.5-177.358.8000111.4A8 A56 L57 A60 M139 S140 S146 L147A8-L143 HydrophobicContact CB-CD2 3.95Å; A56-L143 HydrophobicContact CB-CD1 4.08Å; L57-L143 HydrophobicContact CB-CD1 4.29Å; A60-L143 HydrophobicContact CB-CD1 4.09Å; A60-L143 HydrophobicContact CB-CD2 4.35Å; M139-L143 VanDerWaalsContact O-CB 3.31Å; M139-L143 WeakPolarHBondContact O-CB 3.3Å; M139-L143 PolarHBondContact O-N 3.3Å; S140-L143 PolarHBondContact O-N 3.3Å; L143-S146 PolarHBondContact O-N 3.1Å; L143-L147 VanDerWaalsContact O-CB 3.31Å; L143-L147 WeakPolarHBondContact O-CB 3.26Å; L143-L147 PolarHBondContact O-N 3.16Å
144A90.4Very high84.5Confident46 Ų4690.1 Ų90.138%0.3845%0.453SS..Hα-helixtrans-61.5-45.5177.300000111.9S140 L141 S146 S148S140-A144 VanDerWaalsContact O-CB 3.25Å; S140-A144 WeakPolarHBondContact O-CB 3.46Å; S140-A144 PolarHBondContact O-N 3.21Å; L141-A144 PolarHBondContact O-N 3.22Å; A144-S146 PolarHBondContact O-N 3.32Å; A144-S148 VanDerWaalsContact O-CB 3.24Å; A144-S148 WeakPolarHBondContact O-CB 3.42Å; A144-S148 PolarHBondContact O-N 3.22Å; A144-S148 PolarHBondContact O-OG 2.96Å
145H88.9Confident83.2Confident96 Ų9681.9 Ų81.944%0.44443%0.429SS..Hα-helixtrans-59.7-44.4172.6-73.6154.5000112.2L141 S148 R149L141-H145 WeakPolarHBondContact O-CB 3.31Å; L141-H145 PolarHBondContact O-N 3.46Å; L141-H145 PolarHBondContact O-ND1 3.05Å; H145-S148 PolarHBondContact O-N 2.94Å; H145-R149 VanDerWaalsContact O-CG 3.3Å; H145-R149 WeakPolarHBondContact O-CG 3.28Å; H145-R149 PolarHBondContact O-N 3.3Å
146S87.5Confident82Confident33 Ų3382 Ų8223%0.23144%0.437CS..Hα-helixtrans-69.8-43.4-176.4-56.60000112.1L57 G142 L143 A144 S148 R149 Y150L57-S146 VanDerWaalsContact CD1-C 3.45Å; L57-S146 WeakPolarHBondContact CD1-O 3.3Å; G142-S146 WeakPolarHBondContact O-CB 3.49Å; G142-S146 PolarHBondContact O-N 3.15Å; G142-S146 PolarHBondContact O-OG 3.22Å; L143-S146 PolarHBondContact O-N 3.1Å; A144-S146 PolarHBondContact O-N 3.32Å; S146-S148 VanDerWaalsContact C-N 3.32Å; S146-S148 PolarHBondContact O-N 3.13Å; S146-R149 PolarHBondContact O-N 3.15Å; S146-Y150 PolarHBondContact O-N 3.43Å
147L87.3Confident80.9Confident36 Ų3684.7 Ų84.719%0.18845%0.452CS..Hα-helixtrans-66.8-33.7175.2-176.3145.4000111.7A60 L143 Y150 K151A60-L147 HydrophobicContact CB-CD1 3.91Å; L143-L147 VanDerWaalsContact O-CB 3.31Å; L143-L147 WeakPolarHBondContact O-CB 3.26Å; L143-L147 PolarHBondContact O-N 3.16Å; L147-Y150 PolarHBondContact O-N 3.43Å; L147-K151 HydrophobicContact CD2-CD 3.87Å; L147-K151 HydrophobicContact CD2-CG 4.37Å; L147-K151 WeakPolarHBondContact O-CB 3.33Å; L147-K151 WeakPolarHBondContact O-CG 3.37Å; L147-K151 PolarHBondContact O-N 3.47Å
148S87.1Confident79.6Confident57 Ų5787.9 Ų87.940%0.39946%0.456SS..Hα-helixtrans-65.7-44.7172.2-59.50000111.6A144 H145 S146 Y150 K151 L152A144-S148 VanDerWaalsContact O-CB 3.24Å; A144-S148 WeakPolarHBondContact O-CB 3.42Å; A144-S148 PolarHBondContact O-N 3.22Å; A144-S148 PolarHBondContact O-OG 2.96Å; H145-S148 PolarHBondContact O-N 2.94Å; S146-S148 VanDerWaalsContact C-N 3.32Å; S146-S148 PolarHBondContact O-N 3.13Å; S148-Y150 VanDerWaalsContact C-N 3.32Å; S148-Y150 PolarHBondContact O-N 3.28Å; S148-K151 PolarHBondContact O-N 2.83Å; S148-L152 VanDerWaalsContact O-CB 3.26Å; S148-L152 WeakPolarHBondContact O-CB 3.44Å; S148-L152 VanDerWaalsContact O-CG 3.3Å; S148-L152 WeakPolarHBondContact O-CG 3.22Å; S148-L152 PolarHBondContact O-N 3.21Å
149R83.8Confident78.6Confident178 Ų17885.7 Ų85.767%0.67244%0.436SS*.Hα-helixtrans-60.4-40.1174-70.5169.1-167.7-168.94.5112.2H145 S146 K153H145-R149 VanDerWaalsContact O-CG 3.3Å; H145-R149 WeakPolarHBondContact O-CG 3.28Å; H145-R149 PolarHBondContact O-N 3.3Å; S146-R149 PolarHBondContact O-N 3.15Å; R149-K153 PolarHBondContact O-N 3.43Å; R149-K153 VanDerWaalsContact O-N 3.13Å
150Y82.6Confident77.7Confident117 Ų11783.2 Ų83.246%0.45942%0.424SS..Hα-helixtrans-65.9-47.5176.9178.7-103.1000112.1T61 S146 L147 S148 K153T61-Y150 HydrophobicContact CG2-CD1 4.37Å; T61-Y150 HydrophobicContact CG2-CE1 3.56Å; S146-Y150 PolarHBondContact O-N 3.43Å; L147-Y150 PolarHBondContact O-N 3.43Å; S148-Y150 VanDerWaalsContact C-N 3.32Å; S148-Y150 PolarHBondContact O-N 3.28Å; Y150-K153 VanDerWaalsContact O-CG 3.3Å; Y150-K153 WeakPolarHBondContact O-CG 3.42Å; Y150-K153 PolarHBondContact O-N 3.03Å
151K81.4Confident77Confident127 Ų12783.2 Ų83.255%0.55242%0.421SS*.Hα-helixtrans-68-39.2178.7-75.8-171.8174.5-176.30113.4L147 S148 K153L147-K151 HydrophobicContact CD2-CD 3.87Å; L147-K151 HydrophobicContact CD2-CG 4.37Å; L147-K151 WeakPolarHBondContact O-CB 3.33Å; L147-K151 WeakPolarHBondContact O-CG 3.37Å; L147-K151 PolarHBondContact O-N 3.47Å; S148-K151 PolarHBondContact O-N 2.83Å; K151-K153 PolarHBondContact O-N 3.25Å
152L77.9Confident76Confident132 Ų13282.3 Ų82.369%0.69142%0.416SS*.THydrogen-bonded Turntrans-78.20.3175.9-64.7171.3000113.2S148 F154S148-L152 VanDerWaalsContact O-CB 3.26Å; S148-L152 WeakPolarHBondContact O-CB 3.44Å; S148-L152 VanDerWaalsContact O-CG 3.3Å; S148-L152 WeakPolarHBondContact O-CG 3.22Å; S148-L152 PolarHBondContact O-N 3.21Å; L152-F154 VanDerWaalsContact C-N 3.3Å; L152-F154 CarbonylContact O-C 3.58Å; L152-F154 PolarHBondContact O-N 3.13Å
153K64.6Low75.2Confident178 Ų17881.1 Ų81.177%0.77440%0.403SS*.THydrogen-bonded Turntrans41.146.9168.7-78.1-166.6172.3-176.10115.7R149 Y150 K151R149-K153 PolarHBondContact O-N 3.43Å; R149-K153 VanDerWaalsContact O-N 3.13Å; Y150-K153 VanDerWaalsContact O-CG 3.3Å; Y150-K153 WeakPolarHBondContact O-CG 3.42Å; Y150-K153 PolarHBondContact O-N 3.03Å; K151-K153 PolarHBondContact O-N 3.25Å
154F60.6Low74.3Confident149 Ų14981 Ų8165%0.65440%0.403SS*.  trans83.5125.8-175.7-158.1-113.9000113.1L152 V159L152-F154 VanDerWaalsContact C-N 3.3Å; L152-F154 CarbonylContact O-C 3.58Å; L152-F154 PolarHBondContact O-N 3.13Å; F154-V159 HydrophobicContact CD1-CG2 4.39Å; F154-V159 HydrophobicContact CE1-CB 4.13Å; F154-V159 HydrophobicContact CE1-CG1 4.05Å; F154-V159 HydrophobicContact CE1-CG2 3.57Å; F154-V159 HydrophobicContact CE2-CG2 4.07Å; F154-V159 HydrophobicContact CZ-CB 4.34Å; F154-V159 HydrophobicContact CZ-CG1 4.26Å; F154-V159 HydrophobicContact CZ-CG2 3.39Å
155S59.7Low73.3Confident48 Ų4884.8 Ų84.834%0.33641%0.413SS..  trans-93114.1177.443.40000109.3D157 K158S155-D157 VanDerWaalsContact C-N 3.26Å; S155-D157 PolarHBondContact O-N 3.37Å; S155-K158 PolarHBondContact O-N 2.88Å
156P59.1Low72.1Confident82 Ų8281.5 Ų81.553%0.53240%0.403SS..THydrogen-bonded Turntrans-61.3-34.9-175.122.9-32.7000112.2K158 V159 D160P156-K158 PolarHBondContact O-N 2.95Å; P156-V159 WeakPolarHBondContact O-CA 3.28Å; P156-V159 PolarHBondContact O-N 2.95Å; P156-D160 PolarHBondContact O-N 3.31Å
157D60.6Low70.9Confident84 Ų8480 Ų8045%0.44939%0.392SS..Hα-helixtrans-51.7-32.2177.9-50.2-40.5000114S155 V159 T161S155-D157 VanDerWaalsContact C-N 3.26Å; S155-D157 PolarHBondContact O-N 3.37Å; D157-V159 VanDerWaalsContact C-N 3.26Å; D157-V159 PolarHBondContact O-N 3.13Å; D157-T161 PolarHBondContact O-N 3.4Å; D157-T161 PolarHBondContact O-OG1 2.94Å
158K61.3Low69Low145 Ų14579.3 Ų79.363%0.6339%0.39SS*.Hα-helixtrans-79.1-8.2-179.9-71.3-159.8173.6-1610114.4S155 P156 T161S155-K158 PolarHBondContact O-N 2.88Å; P156-K158 PolarHBondContact O-N 2.95Å; K158-T161 VanDerWaalsContact CA-OG1 3.22Å; K158-T161 WeakPolarHBondContact CA-OG1 3.32Å; K158-T161 PolarHBondContact O-OG1 3.31Å
159V67.9Low66.7Low17 Ų1779.5 Ų79.510%0.10340%0.395CS..Hα-helixtrans-119.8-34.7-170.4167.60000109.1F154 P156 D157 T161 M162 I163 I292F154-V159 HydrophobicContact CD1-CG2 4.39Å; F154-V159 HydrophobicContact CE1-CB 4.13Å; F154-V159 HydrophobicContact CE1-CG1 4.05Å; F154-V159 HydrophobicContact CE1-CG2 3.57Å; F154-V159 HydrophobicContact CE2-CG2 4.07Å; F154-V159 HydrophobicContact CZ-CB 4.34Å; F154-V159 HydrophobicContact CZ-CG1 4.26Å; F154-V159 HydrophobicContact CZ-CG2 3.39Å; P156-V159 WeakPolarHBondContact O-CA 3.28Å; P156-V159 PolarHBondContact O-N 2.95Å; D157-V159 VanDerWaalsContact C-N 3.26Å; D157-V159 PolarHBondContact O-N 3.13Å; V159-T161 PolarHBondContact O-N 2.88Å; V159-M162 WeakPolarHBondContact O-CB 3.48Å; V159-M162 PolarHBondContact O-N 3.26Å; V159-M162 VanDerWaalsContact O-N 3.14Å; V159-I163 PolarHBondContact O-N 2.76Å; V159-I292 HydrophobicContact CG1-CD1 3.4Å; V159-I292 HydrophobicContact CG1-CG1 3.87Å
160D70.5Confident64.2Low4 Ų475.5 Ų75.52%0.02139%0.39CS..Hα-helixtrans-44.7-49.2149.3-89.912.9000111.8P156 M162 I163 V164 S314 L315P156-D160 PolarHBondContact O-N 3.31Å; D160-M162 PolarHBondContact O-N 3.12Å; D160-I163 CarbonylContact O-C 3.53Å; D160-I163 WeakPolarHBondContact O-CA 3.31Å; D160-I163 WeakPolarHBondContact O-CB 3.32Å; D160-I163 PolarHBondContact O-N 2.8Å; D160-V164 WeakPolarHBondContact O-CG2 3.25Å; D160-V164 PolarHBondContact O-N 3.42Å; D160-S314 WeakPolarHBondContact OD2-CA 3.33Å; D160-S314 WeakPolarHBondContact OD2-CB 3.44Å; D160-S314 PolarHBondContact OD2-OG 3.22Å; D160-L315 WeakPolarHBondContact OD1-CB 3.49Å; D160-L315 WeakPolarHBondContact OD2-CB 3.17Å; D160-L315 PolarHBondContact OD2-N 2.87Å
161T73.3Confident61.9Low63 Ų6382.6 Ų82.639%0.38742%0.416SS..Hα-helixtrans-64.4-27.3-179.222.10000113.1D157 K158 V159 V164 Q165D157-T161 PolarHBondContact O-N 3.4Å; D157-T161 PolarHBondContact O-OG1 2.94Å; K158-T161 VanDerWaalsContact CA-OG1 3.22Å; K158-T161 WeakPolarHBondContact CA-OG1 3.32Å; K158-T161 PolarHBondContact O-OG1 3.31Å; V159-T161 PolarHBondContact O-N 2.88Å; T161-V164 PolarHBondContact O-N 2.85Å; T161-Q165 VanDerWaalsContact O-CB 3.28Å; T161-Q165 WeakPolarHBondContact O-CB 3.37Å; T161-Q165 WeakPolarHBondContact O-CG 3.09Å; T161-Q165 PolarHBondContact O-N 2.78Å
162M71.8Confident59.6Low82 Ų8280.5 Ų80.540%0.40442%0.418SS..Hα-helixtrans-71.7-35.3171.8-61.6-171.377.500112.3V159 D160 A166V159-M162 WeakPolarHBondContact O-CB 3.48Å; V159-M162 PolarHBondContact O-N 3.26Å; V159-M162 VanDerWaalsContact O-N 3.14Å; D160-M162 PolarHBondContact O-N 3.12Å; M162-A166 VanDerWaalsContact O-CB 3.25Å; M162-A166 WeakPolarHBondContact O-CB 3.27Å; M162-A166 PolarHBondContact O-N 2.87Å
163I73.8Confident57.7Low1 Ų181.7 Ų81.71%0.00543%0.43CS..Hα-helixtrans-61.9-51.2168-81.2-179.9000109.4V159 D160 Q165 A166 I167 R288 M289 I292 I309V159-I163 PolarHBondContact O-N 2.76Å; D160-I163 CarbonylContact O-C 3.53Å; D160-I163 WeakPolarHBondContact O-CA 3.31Å; D160-I163 WeakPolarHBondContact O-CB 3.32Å; D160-I163 PolarHBondContact O-N 2.8Å; I163-Q165 PolarHBondContact O-N 3.17Å; I163-A166 PolarHBondContact O-N 3.25Å; I163-I167 HydrophobicContact CG2-CD1 3.49Å; I163-I167 VanDerWaalsContact CG2-CD1 3.49Å; I163-I167 VanDerWaalsContact O-CB 3.29Å; I163-I167 WeakPolarHBondContact O-CB 3.3Å; I163-I167 WeakPolarHBondContact O-CD1 3.44Å; I163-I167 VanDerWaalsContact O-CG1 3.22Å; I163-I167 WeakPolarHBondContact O-CG1 3.35Å; I163-I167 PolarHBondContact O-N 3.37Å; I163-R288 HydrophobicContact CD1-CG 4.16Å; I163-R288 HydrophobicContact CG1-CG 3.6Å; I163-M289 HydrophobicContact CD1-CE 3.71Å; I163-M289 HydrophobicContact CD1-SD 3.94Å; I163-M289 HydrophobicContact CG1-CE 4.33Å; I163-M289 HydrophobicContact CG2-CE 3.98Å; I163-I292 HydrophobicContact CD1-CB 4.1Å; I163-I292 HydrophobicContact CD1-CD1 3.45Å; I163-I292 VanDerWaalsContact CD1-CD1 3.45Å; I163-I292 HydrophobicContact CD1-CG1 4.38Å; I163-I292 HydrophobicContact CD1-CG2 4.09Å; I163-I292 HydrophobicContact CG1-CD1 3.95Å; I163-I309 HydrophobicContact CG2-CB 4.46Å; I163-I309 HydrophobicContact CG2-CG2 4Å
164V70.1Confident56.8Low25 Ų2575 Ų7515%0.15241%0.412CS..Hα-helixtrans-67.3-22.7-176.8177.10000112.4D160 T161 C168 I309D160-V164 WeakPolarHBondContact O-CG2 3.25Å; D160-V164 PolarHBondContact O-N 3.42Å; T161-V164 PolarHBondContact O-N 2.85Å; V164-C168 CarbonylContact O-C 3.58Å; V164-C168 VanDerWaalsContact O-CA 3.24Å; V164-C168 WeakPolarHBondContact O-CA 3.46Å; V164-C168 WeakPolarHBondContact O-CB 3.5Å; V164-C168 PolarHBondContact O-N 3.32Å; V164-I309 HydrophobicContact CG2-CG2 4.05Å
165Q68.7Low56Low127 Ų12771.4 Ų71.459%0.59340%0.404SS*.Hα-helixtrans-86.1-43.9172.8-75.7169.6-22.200113.3T161 I163 I167T161-Q165 VanDerWaalsContact O-CB 3.28Å; T161-Q165 WeakPolarHBondContact O-CB 3.37Å; T161-Q165 WeakPolarHBondContact O-CG 3.09Å; T161-Q165 PolarHBondContact O-N 2.78Å; I163-Q165 PolarHBondContact O-N 3.17Å; Q165-I167 PolarHBondContact O-N 2.9Å
166A63.7Low55.5Low27 Ų2774.7 Ų74.722%0.22341%0.412CS..Hα-helixtrans-65.5-22.3174.600000112.2M162 I163 Y284M162-A166 VanDerWaalsContact O-CB 3.25Å; M162-A166 WeakPolarHBondContact O-CB 3.27Å; M162-A166 PolarHBondContact O-N 2.87Å; I163-A166 PolarHBondContact O-N 3.25Å; A166-Y284 HydrophobicContact CB-CD1 4.45Å; A166-Y284 HydrophobicContact CB-CE1 4.03Å
167I63.7Low55.6Low1 Ų171.4 Ų71.41%0.00539%0.391CS..Hα-helixtrans-86.5-78.7164.5-62.7160.7000109.2I163 Q165 A169 T177 L178 L285 A306 S310I163-I167 HydrophobicContact CG2-CD1 3.49Å; I163-I167 VanDerWaalsContact CG2-CD1 3.49Å; I163-I167 VanDerWaalsContact O-CB 3.29Å; I163-I167 WeakPolarHBondContact O-CB 3.3Å; I163-I167 WeakPolarHBondContact O-CD1 3.44Å; I163-I167 VanDerWaalsContact O-CG1 3.22Å; I163-I167 WeakPolarHBondContact O-CG1 3.35Å; I163-I167 PolarHBondContact O-N 3.37Å; Q165-I167 PolarHBondContact O-N 2.9Å; I167-A169 PolarHBondContact O-N 3.46Å; I167-T177 HydrophobicContact CB-CG2 4.4Å; I167-T177 HydrophobicContact CG2-CG2 3.89Å; I167-T177 CarbonylContact O-C 3.57Å; I167-T177 WeakPolarHBondContact O-CA 3.45Å; I167-L178 PolarHBondContact O-N 2.78Å; I167-L285 HydrophobicContact CD1-CD1 4.17Å; I167-L285 HydrophobicContact CG1-CD1 4.08Å; I167-A306 HydrophobicContact CD1-CB 3.44Å; I167-A306 VanDerWaalsContact CD1-CB 3.44Å; I167-A306 WeakPolarHBondContact CD1-O 3.26Å; I167-A306 HydrophobicContact CG1-CB 4.13Å; I167-S310 WeakPolarHBondContact CG2-OG 3.24Å
168C47.2Very low56.2Low21 Ų2169.8 Ų69.814%0.14238%0.382CS..  trans-91.490.6-170.5-164.20000112.3V164 V170V164-C168 CarbonylContact O-C 3.58Å; V164-C168 VanDerWaalsContact O-CA 3.24Å; V164-C168 WeakPolarHBondContact O-CA 3.46Å; V164-C168 WeakPolarHBondContact O-CB 3.5Å; V164-C168 PolarHBondContact O-N 3.32Å; C168-V170 PolarHBondContact O-N 3.42Å; C168-V170 VanDerWaalsContact O-N 3.08Å; C168-V170 PolarHBondContact SG-O 2.94Å
169A37.6Very low57.1Low62 Ų6263.3 Ų63.351%0.51235%0.354SS..  trans-749.4-177.200000115.6I167 L178I167-A169 PolarHBondContact O-N 3.46Å; A169-L178 HydrophobicContact CB-CB 4.14Å; A169-L178 HydrophobicContact CB-CD1 4.22Å
170V31.4Very low57.8Low94 Ų9464.8 Ų64.857%0.5736%0.361SS*.  trans-135.9126.1172.4-175.40000110.5C168 S172C168-V170 PolarHBondContact O-N 3.42Å; C168-V170 VanDerWaalsContact O-N 3.08Å; C168-V170 PolarHBondContact SG-O 2.94Å; V170-S172 PolarHBondContact O-N 2.99Å; V170-S172 VanDerWaalsContact O-N 3.08Å
171W34.7Very low58.5Low266 Ų26666.5 Ų66.5100%1.00837%0.371SS*.  trans-84.649.2177.1-175.840.8000112.4
172S33.1Very low59.2Low83 Ų8364.3 Ų64.358%0.5836%0.356SS*.SBendtrans-153.3113.8177.8-167.30000113.3V170 G174V170-S172 PolarHBondContact O-N 2.99Å; V170-S172 VanDerWaalsContact O-N 3.08Å; S172-G174 PolarHBondContact O-N 3.09Å
173V37.5Very low60Low156 Ų15663 Ų6395%0.94535%0.351SS*.SBendtrans40.337.1157.5-153.40000117.1
174G46.5Very low60.8Low38 Ų3869.1 Ų69.139%0.39238%0.377SS..  trans-175.1112.3171.900000112S172 K176S172-G174 PolarHBondContact O-N 3.09Å; G174-K176 VanDerWaalsContact C-N 3.26Å; G174-K176 PolarHBondContact O-N 3.08Å
175C43.1Very low61.8Low73 Ų7372.4 Ų72.449%0.49339%0.391SS..  trans-70.685.2167.7-89.20000109.8S310C175-S310 PolarHBondContact SG-O 2.98Å; C175-S310 PolarHBondContact SG-OG 3.22Å
176K50.2Low62.9Low118 Ų11867.6 Ų67.651%0.51337%0.37SS..  trans-101.4121.8162.6-74158.1107.6-77.10107.2G174 D181G174-K176 VanDerWaalsContact C-N 3.26Å; G174-K176 PolarHBondContact O-N 3.08Å; K176-D181 WeakPolarHBondContact CB-OD2 3.14Å; K176-D181 IonicContact NZ-OD1 2.62Å; K176-D181 PolarHBondContact NZ-OD1 3.13Å; K176-D181 IonicContact NZ-OD2 2.72Å; K176-D181 PolarHBondContact NZ-OD2 3.23Å
177T61.9Low64.3Low13 Ų1370.1 Ų70.18%0.0838%0.379CS..  trans-74.8137.3175.2-460000108.1I167 L179 D180 D181I167-T177 HydrophobicContact CB-CG2 4.4Å; I167-T177 HydrophobicContact CG2-CG2 3.89Å; I167-T177 CarbonylContact O-C 3.57Å; I167-T177 WeakPolarHBondContact O-CA 3.45Å; T177-L179 HydrophobicContact CG2-CB 3.75Å; T177-L179 PolarHBondContact O-N 3.19Å; T177-D180 WeakPolarHBondContact CB-OD2 3.43Å; T177-D180 CarbonylContact O-C 3.6Å; T177-D180 WeakPolarHBondContact O-CA 3.48Å; T177-D180 WeakPolarHBondContact O-CB 3.49Å; T177-D180 PolarHBondContact O-N 3.47Å; T177-D180 PolarHBondContact OG1-OD2 3.23Å; T177-D181 PolarHBondContact O-N 3.38Å
178L72.3Confident65.7Low49 Ų4974.2 Ų74.226%0.25740%0.401SS..Hα-helixtrans-51.9-41.2168.8178.963.2000110.5I167 A169 D181 L182 L281I167-L178 PolarHBondContact O-N 2.78Å; A169-L178 HydrophobicContact CB-CB 4.14Å; A169-L178 HydrophobicContact CB-CD1 4.22Å; L178-D181 PolarHBondContact O-N 3.12Å; L178-L182 HydrophobicContact CD1-CD1 4.41Å; L178-L182 HydrophobicContact CD1-CG 4.42Å; L178-L182 HydrophobicContact CG-CD1 4.13Å; L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 WeakPolarHBondContact O-CG 3.13Å; L178-L182 PolarHBondContact O-N 3.1Å; L178-L281 HydrophobicContact CD2-CD1 3.96Å; L178-L281 HydrophobicContact CG-CD1 4.31Å
179L80.4Confident67.9Low10 Ų1077.7 Ų77.75%0.05241%0.412CS..Hα-helixtrans-67.6-32.9173.7-167.4155.1000113T177 D183 Y282 L303T177-L179 HydrophobicContact CG2-CB 3.75Å; T177-L179 PolarHBondContact O-N 3.19Å; L179-D183 VanDerWaalsContact O-CB 3.31Å; L179-D183 WeakPolarHBondContact O-CB 3.49Å; L179-D183 PolarHBondContact O-N 3.23Å; L179-Y282 HydrophobicContact CD1-CD2 4.39Å; L179-L303 HydrophobicContact CD1-CD2 4.5Å
180D82.4Confident70.5Confident47 Ų4775 Ų7525%0.25139%0.389SS..Hα-helixtrans-75.6-32.9175.6-63.8-23.9000111.7T177 K184 R307T177-D180 WeakPolarHBondContact CB-OD2 3.43Å; T177-D180 CarbonylContact O-C 3.6Å; T177-D180 WeakPolarHBondContact O-CA 3.48Å; T177-D180 WeakPolarHBondContact O-CB 3.49Å; T177-D180 PolarHBondContact O-N 3.47Å; T177-D180 PolarHBondContact OG1-OD2 3.23Å; D180-K184 PolarHBondContact O-N 3.22Å; D180-R307 IonicContact OD1-CZ 2.64Å; D180-R307 IonicContact OD1-NE 3.56Å; D180-R307 IonicContact OD1-NH2 2.7Å; D180-R307 PolarHBondContact OD1-NH2 3.28Å; D180-R307 IonicContact OD2-NE 3.69Å; D180-R307 IonicContact OD2-NH2 2.68Å
181D85.3Confident73.4Confident41 Ų4174.8 Ų74.822%0.21938%0.383CS..Hα-helixtrans-76.5-41.5175.5-81.3-17.1000111.4K176 T177 L178 D183 K184 E185K176-D181 WeakPolarHBondContact CB-OD2 3.14Å; K176-D181 IonicContact NZ-OD1 2.62Å; K176-D181 PolarHBondContact NZ-OD1 3.13Å; K176-D181 IonicContact NZ-OD2 2.72Å; K176-D181 PolarHBondContact NZ-OD2 3.23Å; T177-D181 PolarHBondContact O-N 3.38Å; L178-D181 PolarHBondContact O-N 3.12Å; D181-D183 VanDerWaalsContact C-N 3.32Å; D181-D183 PolarHBondContact O-N 3.12Å; D181-K184 WeakPolarHBondContact O-CB 3.34Å; D181-K184 PolarHBondContact O-N 2.69Å; D181-K184 VanDerWaalsContact O-N 3.1Å; D181-E185 WeakPolarHBondContact O-CB 3.49Å; D181-E185 WeakPolarHBondContact O-CG 3.42Å; D181-E185 PolarHBondContact O-N 3.49Å
182L87.9Confident76.1Confident17 Ų1768.6 Ų68.69%0.08936%0.359CS..Hα-helixtrans-60-39.8167.7-72.3171.5000111.3L178 K184 E185 L186 I274 Y277 L281L178-L182 HydrophobicContact CD1-CD1 4.41Å; L178-L182 HydrophobicContact CD1-CG 4.42Å; L178-L182 HydrophobicContact CG-CD1 4.13Å; L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 WeakPolarHBondContact O-CG 3.13Å; L178-L182 PolarHBondContact O-N 3.1Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 2.81Å; L182-E185 PolarHBondContact O-N 3.41Å; L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 PolarHBondContact O-N 2.93Å; L182-I274 HydrophobicContact CD2-CG2 4.22Å; L182-Y277 HydrophobicContact CD1-CD1 4.09Å; L182-Y277 HydrophobicContact CD1-CE1 4.07Å; L182-L281 HydrophobicContact CD1-CD1 3.58Å
183D88.9Confident78.9Confident53 Ų5364.8 Ų64.828%0.28333%0.332SS..Hα-helixtrans-60.3-40172.4-94.3-28.6000111.9L179 D181 N187 R278L179-D183 VanDerWaalsContact O-CB 3.31Å; L179-D183 WeakPolarHBondContact O-CB 3.49Å; L179-D183 PolarHBondContact O-N 3.23Å; D181-D183 VanDerWaalsContact C-N 3.32Å; D181-D183 PolarHBondContact O-N 3.12Å; D183-N187 WeakPolarHBondContact O-CB 3.43Å; D183-N187 PolarHBondContact O-N 2.89Å; D183-R278 VanDerWaalsContact CG-NH2 3.26Å; D183-R278 IonicContact OD1-CZ 3.68Å; D183-R278 IonicContact OD1-NE 2.59Å; D183-R278 PolarHBondContact OD1-NE 3.08Å; D183-R278 IonicContact OD1-NH2 3.48Å; D183-R278 PolarHBondContact OD1-NH2 3.33Å; D183-R278 IonicContact OD2-CZ 2.76Å; D183-R278 IonicContact OD2-NE 2.66Å; D183-R278 IonicContact OD2-NH2 3.96Å; D183-R278 PolarHBondContact OD2-NH2 2.95Å
184K90.6Very high81.5Confident130 Ų13059.1 Ų59.157%0.56529%0.294SS*.Hα-helixtrans-70.4-44.9177.6-167.6-165.6175.5-161.20112.2D180 D181 L182 N187 N188D180-K184 PolarHBondContact O-N 3.22Å; D181-K184 WeakPolarHBondContact O-CB 3.34Å; D181-K184 PolarHBondContact O-N 2.69Å; D181-K184 VanDerWaalsContact O-N 3.1Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 2.81Å; K184-N187 PolarHBondContact O-N 2.83Å; K184-N188 VanDerWaalsContact O-CG 3.28Å; K184-N188 PolarHBondContact O-N 3.49Å; K184-N188 PolarHBondContact O-OD1 2.96Å
185E90.5Very high83.6Confident94 Ų9462 Ų6244%0.43930%0.297SS..Hα-helixtrans-67.1-46.3179.6-74174.6-178.900110.9D181 L182 N187 N188 Y189D181-E185 WeakPolarHBondContact O-CB 3.49Å; D181-E185 WeakPolarHBondContact O-CG 3.42Å; D181-E185 PolarHBondContact O-N 3.49Å; L182-E185 PolarHBondContact O-N 3.41Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 2.73Å; E185-N188 WeakPolarHBondContact O-CB 3.38Å; E185-N188 PolarHBondContact O-N 3.44Å; E185-N188 VanDerWaalsContact O-N 3.07Å; E185-Y189 HydrophobicContact CB-CD2 4.33Å; E185-Y189 HydrophobicContact CB-CE2 4.08Å; E185-Y189 WeakPolarHBondContact O-CD2 3.47Å; E185-Y189 PolarHBondContact O-N 3.42Å
186L92.8Very high85.9Confident27 Ų2762.7 Ų62.714%0.14129%0.29CS..Hα-helixtrans-56.2-41.8171.5178.1143.6000111.4L182 N190 I274L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 PolarHBondContact O-N 2.93Å; L186-N190 WeakPolarHBondContact CD2-ND2 3.44Å; L186-N190 VanDerWaalsContact O-CB 3.26Å; L186-N190 WeakPolarHBondContact O-CB 3.21Å; L186-N190 PolarHBondContact O-N 3.36Å; L186-N190 PolarHBondContact O-ND2 2.99Å; L186-I274 HydrophobicContact CB-CG2 4.3Å; L186-I274 HydrophobicContact CD1-CG2 4.2Å
187N93.1Very high87.9Confident80 Ų8057.1 Ų57.143%0.42827%0.265SS..Hα-helixtrans-63.9-43.4173.9-174.185.7000112.5D183 K184 E185 N190 M191D183-N187 WeakPolarHBondContact O-CB 3.43Å; D183-N187 PolarHBondContact O-N 2.89Å; K184-N187 PolarHBondContact O-N 2.83Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 2.73Å; N187-N190 PolarHBondContact O-N 2.92Å; N187-M191 WeakPolarHBondContact O-CG 3.28Å; N187-M191 PolarHBondContact O-N 3.04Å
188N92.9Very high89.3Confident87 Ų8757.5 Ų57.547%0.46527%0.272SS..Hα-helixtrans-62.1-46.9176.9-70.8-7.4000111.9K184 E185 N190 M191 R192K184-N188 VanDerWaalsContact O-CG 3.28Å; K184-N188 PolarHBondContact O-N 3.49Å; K184-N188 PolarHBondContact O-OD1 2.96Å; E185-N188 WeakPolarHBondContact O-CB 3.38Å; E185-N188 PolarHBondContact O-N 3.44Å; E185-N188 VanDerWaalsContact O-N 3.07Å; N188-N190 PolarHBondContact O-N 3.42Å; N188-M191 PolarHBondContact O-N 3.26Å; N188-R192 WeakPolarHBondContact O-CB 3.24Å; N188-R192 PolarHBondContact O-N 3.37Å
189Y92.9Very high90.1Very high94 Ų9464 Ų6437%0.36929%0.293SS..Hα-helixtrans-64.1-39.1177.2-68.7-57.7000111.8E185 R192 C193 L267 I274E185-Y189 HydrophobicContact CB-CD2 4.33Å; E185-Y189 HydrophobicContact CB-CE2 4.08Å; E185-Y189 WeakPolarHBondContact O-CD2 3.47Å; E185-Y189 PolarHBondContact O-N 3.42Å; Y189-R192 PolarHBondContact O-N 3.03Å; Y189-C193 PolarHBondContact O-N 3.49Å; Y189-C193 PolarHBondContact O-SG 3.29Å; Y189-L267 HydrophobicContact CD1-CD1 4.1Å; Y189-I274 HydrophobicContact CD2-CD1 4.21Å; Y189-I274 HydrophobicContact CE2-CD1 4.12Å
190N92.3Very high90.5Very high5 Ų563.7 Ų63.73%0.02729%0.291CS..Hα-helixtrans-62.1-46.3174.7-79.9-46.5000112.7L186 N187 N188 R192 C193 R194 N211 V271L186-N190 WeakPolarHBondContact CD2-ND2 3.44Å; L186-N190 VanDerWaalsContact O-CB 3.26Å; L186-N190 WeakPolarHBondContact O-CB 3.21Å; L186-N190 PolarHBondContact O-N 3.36Å; L186-N190 PolarHBondContact O-ND2 2.99Å; N187-N190 PolarHBondContact O-N 2.92Å; N188-N190 PolarHBondContact O-N 3.42Å; N190-R192 VanDerWaalsContact C-N 3.28Å; N190-R192 PolarHBondContact O-N 3.41Å; N190-C193 PolarHBondContact O-N 2.86Å; N190-R194 WeakPolarHBondContact O-CG 3.45Å; N190-R194 PolarHBondContact O-N 3.4Å; N190-N211 HydrophobicContact CB-CB 3.99Å; N190-N211 VanDerWaalsContact CG-CB 3.5Å; N190-V271 WeakPolarHBondContact OD1-CG1 3.2Å
191M91.6Very high90.9Very high90 Ų9061.5 Ų61.544%0.44328%0.28SS..Hα-helixtrans-60.1-42.2173.8-69.6-56.6-58.900110.7N187 N188 C193 R194 E195N187-M191 WeakPolarHBondContact O-CG 3.28Å; N187-M191 PolarHBondContact O-N 3.04Å; N188-M191 PolarHBondContact O-N 3.26Å; M191-C193 PolarHBondContact O-N 3.27Å; M191-R194 PolarHBondContact O-N 2.68Å; M191-E195 WeakPolarHBondContact O-CG 3.48Å; M191-E195 PolarHBondContact O-N 2.99Å
192R93Very high91.1Very high136 Ų13661.5 Ų61.551%0.51328%0.282SS..Hα-helixtrans-65.7-36.5178-17055.8177.2174.12.3113.4N188 Y189 N190 E195 W196N188-R192 WeakPolarHBondContact O-CB 3.24Å; N188-R192 PolarHBondContact O-N 3.37Å; Y189-R192 PolarHBondContact O-N 3.03Å; N190-R192 VanDerWaalsContact C-N 3.28Å; N190-R192 PolarHBondContact O-N 3.41Å; R192-E195 WeakPolarHBondContact CD-OE2 3.23Å; R192-E195 IonicContact CZ-OE2 3.89Å; R192-E195 IonicContact NH1-OE2 2.87Å; R192-E195 PolarHBondContact NH1-OE2 3.49Å; R192-W196 VanDerWaalsContact O-CB 3.28Å; R192-W196 WeakPolarHBondContact O-CB 3.32Å; R192-W196 PolarHBondContact O-N 3.45Å
193C91.7Very high91.1Very high2 Ų262.9 Ų62.91%0.01429%0.288CS..Hα-helixtrans-62.7-46.5172.4-67.50000111.1Y189 N190 M191 W196 Y197 Y214 L267Y189-C193 PolarHBondContact O-N 3.49Å; Y189-C193 PolarHBondContact O-SG 3.29Å; N190-C193 PolarHBondContact O-N 2.86Å; M191-C193 PolarHBondContact O-N 3.27Å; C193-W196 PolarHBondContact O-N 3.22Å; C193-Y197 WeakPolarHBondContact O-CB 3.19Å; C193-Y197 PolarHBondContact O-N 2.84Å; C193-Y214 HydrophobicContact CB-CE1 4.48Å; C193-L267 VanDerWaalsContact SG-CD2 3.56Å
194R91.6Very high91.1Very high38 Ų3860.4 Ų60.414%0.14328%0.275CS..Hα-helixtrans-62.7-41.3177.9-73.3-178.2180-81.2-5.1112.6N190 M191 G198 G205 V208 T209 D210 N211 Y214N190-R194 WeakPolarHBondContact O-CG 3.45Å; N190-R194 PolarHBondContact O-N 3.4Å; M191-R194 PolarHBondContact O-N 2.68Å; R194-G198 VanDerWaalsContact O-CA 3.3Å; R194-G198 WeakPolarHBondContact O-CA 3.37Å; R194-G198 PolarHBondContact O-N 2.86Å; R194-G205 PolarHBondContact NH1-O 3.49Å; R194-V208 VanDerWaalsContact CZ-O 3.31Å; R194-V208 PolarHBondContact NH1-O 3.27Å; R194-V208 PolarHBondContact NH2-O 2.85Å; R194-T209 PolarHBondContact NH2-O 3.33Å; R194-T209 VanDerWaalsContact NH2-O 3.12Å; R194-D210 PolarHBondContact NH2-O 3.27Å; R194-N211 VanDerWaalsContact CZ-OD1 3.28Å; R194-N211 PolarHBondContact NE-OD1 2.77Å; R194-N211 PolarHBondContact NH2-OD1 3.04Å; R194-Y214 HydrophobicContact CB-CE1 4.36Å; R194-Y214 HydrophobicContact CG-CD1 3.96Å; R194-Y214 HydrophobicContact CG-CE1 3.7Å; R194-Y214 HydrophobicContact CG-CE2 4.31Å; R194-Y214 HydrophobicContact CG-CG 4.38Å
195E91.4Very high90.9Very high98 Ų9855.6 Ų55.646%0.45826%0.262SS..Hα-helixtrans-62-51.1173.2-74.9170-169.100111.8M191 R192 G198M191-E195 WeakPolarHBondContact O-CG 3.48Å; M191-E195 PolarHBondContact O-N 2.99Å; R192-E195 WeakPolarHBondContact CD-OE2 3.23Å; R192-E195 IonicContact CZ-OE2 3.89Å; R192-E195 IonicContact NH1-OE2 2.87Å; R192-E195 PolarHBondContact NH1-OE2 3.49Å; E195-G198 PolarHBondContact O-N 3.28Å
196W91.2Very high90.8Very high88 Ų8857.5 Ų57.533%0.33327%0.269SS..Hα-helixtrans-71.3-46.9-170.9-165.6-1.2000112.1R192 C193 G198 N263 I264 L267R192-W196 VanDerWaalsContact O-CB 3.28Å; R192-W196 WeakPolarHBondContact O-CB 3.32Å; R192-W196 PolarHBondContact O-N 3.45Å; C193-W196 PolarHBondContact O-N 3.22Å; W196-G198 VanDerWaalsContact C-N 3.27Å; W196-G198 PolarHBondContact O-N 3.28Å; W196-N263 HydrophobicContact CH2-CB 3.83Å; W196-N263 HydrophobicContact CZ2-CB 4.11Å; W196-I264 HydrophobicContact CD2-CD1 4.29Å; W196-I264 HydrophobicContact CD2-CG1 3.65Å; W196-I264 HydrophobicContact CE3-CG1 4.1Å; W196-I264 HydrophobicContact CG-CD1 4.04Å; W196-I264 HydrophobicContact CG-CG1 3.86Å; W196-I264 HydrophobicContact CZ2-CG1 4.27Å; W196-L267 HydrophobicContact CE3-CD2 3.88Å; W196-L267 HydrophobicContact CZ3-CD2 4.04Å
197Y91.8Very high90.6Very high1 Ų157.8 Ų57.80%0.00427%0.272CS..Hα-helixtrans-74.5-19.8174.6-168.2-103.4000112.5C193 W199 H200 F201 L204 V218 G222 I264C193-Y197 WeakPolarHBondContact O-CB 3.19Å; C193-Y197 PolarHBondContact O-N 2.84Å; Y197-W199 PolarHBondContact O-N 3.11Å; Y197-H200 HydrophobicContact CD2-CB 4.44Å; Y197-H200 HydrophobicContact CE2-CB 4.4Å; Y197-H200 AromaticContact CE2-CD2 3.91Å; Y197-H200 PolarHBondContact O-N 2.89Å; Y197-F201 HydrophobicContact CD1-CB 4.26Å; Y197-F201 HydrophobicContact CE1-CB 3.64Å; Y197-F201 HydrophobicContact CE1-CD1 4.15Å; Y197-F201 HydrophobicContact CE1-CG 4.4Å; Y197-F201 PolarHBondContact O-N 2.74Å; Y197-L204 HydrophobicContact CD1-CD2 4.08Å; Y197-L204 HydrophobicContact CE1-CD2 3.62Å; Y197-V218 HydrophobicContact CD1-CG1 4.31Å; Y197-V218 HydrophobicContact CD1-CG2 3.58Å; Y197-V218 HydrophobicContact CD2-CG1 3.71Å; Y197-V218 HydrophobicContact CD2-CG2 4.48Å; Y197-V218 HydrophobicContact CE1-CG1 4.49Å; Y197-V218 HydrophobicContact CE1-CG2 3.76Å; Y197-V218 HydrophobicContact CE2-CG1 3.92Å; Y197-V218 HydrophobicContact CG-CG1 3.9Å; Y197-V218 HydrophobicContact CG-CG2 3.95Å; Y197-G222 VanDerWaalsContact CE2-O 3.27Å; Y197-G222 WeakPolarHBondContact CE2-O 3.4Å; Y197-G222 PolarHBondContact OH-O 2.89Å; Y197-I264 HydrophobicContact CD2-CD1 4.4Å; Y197-I264 HydrophobicContact CD2-CG2 4.05Å
198G90.4Very high90.4Very high21 Ų2154.2 Ų54.222%0.21625%0.252CS..Hα-helixtrans-60.4-20.8174.400000114.8R194 E195 W196 P202R194-G198 VanDerWaalsContact O-CA 3.3Å; R194-G198 WeakPolarHBondContact O-CA 3.37Å; R194-G198 PolarHBondContact O-N 2.86Å; E195-G198 PolarHBondContact O-N 3.28Å; W196-G198 VanDerWaalsContact C-N 3.27Å; W196-G198 PolarHBondContact O-N 3.28Å; G198-P202 WeakPolarHBondContact O-CA 3.4Å; G198-P202 WeakPolarHBondContact O-CB 3.37Å; G198-P202 WeakPolarHBondContact O-CD 3.2Å
199W90.1Very high90.1Very high184 Ų18455.8 Ų55.870%0.69727%0.265SS*.THydrogen-bonded Turntrans-67.4-38.7169.1-66.278.4000111.7Y197 G253 T254Y197-W199 PolarHBondContact O-N 3.11Å; W199-G253 CarbonylContact O-C 3.55Å; W199-G253 WeakPolarHBondContact O-CA 3.41Å; W199-T254 PolarHBondContact O-N 3.04Å; W199-T254 PolarHBondContact O-OG1 3.48Å; W199-T254 VanDerWaalsContact O-OG1 3.1Å
200H88.6Confident90Very high4 Ų455.4 Ų55.42%0.01927%0.27CS..THydrogen-bonded Turntrans-84.1-39.2-179.1-169.660000113.3Y197 R224 G253 T254 V256Y197-H200 HydrophobicContact CD2-CB 4.44Å; Y197-H200 HydrophobicContact CE2-CB 4.4Å; Y197-H200 AromaticContact CE2-CD2 3.91Å; Y197-H200 PolarHBondContact O-N 2.89Å; H200-R224 PolarHBondContact NE2-N 2.87Å; H200-G253 WeakPolarHBondContact O-CA 3.31Å; H200-T254 WeakPolarHBondContact CA-O 3.38Å; H200-T254 PolarHBondContact ND1-O 3.15Å; H200-V256 HydrophobicContact CB-CG2 3.92Å
201F89.7Confident89.9Confident1 Ų157 Ų570%0.00428%0.279CS..  trans-147.280.8-178.1-167.5-172.4000111.4Y197 E203 L204 V227 V244 A247 A248Y197-F201 HydrophobicContact CD1-CB 4.26Å; Y197-F201 HydrophobicContact CE1-CB 3.64Å; Y197-F201 HydrophobicContact CE1-CD1 4.15Å; Y197-F201 HydrophobicContact CE1-CG 4.4Å; Y197-F201 PolarHBondContact O-N 2.74Å; F201-E203 VanDerWaalsContact C-N 3.33Å; F201-E203 HydrophobicContact CD2-CB 4.34Å; F201-E203 HydrophobicContact CE2-CB 4Å; F201-E203 PolarHBondContact O-N 2.85Å; F201-L204 HydrophobicContact CD1-CB 3.68Å; F201-L204 HydrophobicContact CD1-CD2 4.16Å; F201-L204 HydrophobicContact CD1-CG 4.37Å; F201-L204 HydrophobicContact CD2-CB 4.27Å; F201-L204 HydrophobicContact CE1-CB 3.85Å; F201-L204 HydrophobicContact CE1-CD1 4.27Å; F201-L204 HydrophobicContact CE1-CG 4.43Å; F201-L204 HydrophobicContact CE2-CB 4.43Å; F201-L204 HydrophobicContact CG-CB 3.89Å; F201-L204 HydrophobicContact CZ-CB 4.22Å; F201-V227 HydrophobicContact CE1-CG2 4.42Å; F201-V244 HydrophobicContact CE1-CG1 4.15Å; F201-V244 HydrophobicContact CZ-CG1 4.41Å; F201-A247 HydrophobicContact CE2-CB 3.98Å; F201-A247 WeakPolarHBondContact CE2-O 3.24Å; F201-A247 HydrophobicContact CZ-CB 4.03Å; F201-A248 HydrophobicContact CE1-CB 4.13Å; F201-A248 HydrophobicContact CE2-CB 4.49Å; F201-A248 HydrophobicContact CZ-CB 3.83Å
202P89.8Confident89.9Confident42 Ų4256 Ų5627%0.27327%0.274SS..THydrogen-bonded Turntrans-66.2-31.9-175.223.6-32.5000113.5G198 L204 G205G198-P202 WeakPolarHBondContact O-CA 3.4Å; G198-P202 WeakPolarHBondContact O-CB 3.37Å; G198-P202 WeakPolarHBondContact O-CD 3.2Å; P202-L204 PolarHBondContact O-N 3.31Å; P202-G205 PolarHBondContact O-N 2.92Å
203E88.9Confident89.8Confident45 Ų4550 Ų5021%0.2125%0.254CS..THydrogen-bonded Turntrans-70.6-31.6-175.7-56.3-52.5127.900112.9F201 G205 K206 V207 A247F201-E203 VanDerWaalsContact C-N 3.33Å; F201-E203 HydrophobicContact CD2-CB 4.34Å; F201-E203 HydrophobicContact CE2-CB 4Å; F201-E203 PolarHBondContact O-N 2.85Å; E203-G205 PolarHBondContact O-N 3.41Å; E203-G205 VanDerWaalsContact O-N 3.16Å; E203-K206 WeakPolarHBondContact O-CB 3.47Å; E203-K206 PolarHBondContact O-N 3.08Å; E203-K206 IonicContact OE1-NZ 2.67Å; E203-K206 PolarHBondContact OE1-NZ 3.45Å; E203-K206 WeakPolarHBondContact OE2-CD 3.44Å; E203-K206 VanDerWaalsContact OE2-CE 3.31Å; E203-K206 WeakPolarHBondContact OE2-CE 3.37Å; E203-K206 IonicContact OE2-NZ 2.66Å; E203-K206 PolarHBondContact OE2-NZ 2.79Å; E203-V207 PolarHBondContact O-N 3.28Å; E203-A247 HydrophobicContact CB-CB 4.1Å
204L88.5Confident89.7Confident2 Ų250 Ų501%0.0125%0.254CS..Hα-helixtrans-55.7-34.2172.8-174.868.7000111.8Y197 F201 P202 K206 V208 Y214 T217 V218 V244Y197-L204 HydrophobicContact CD1-CD2 4.08Å; Y197-L204 HydrophobicContact CE1-CD2 3.62Å; F201-L204 HydrophobicContact CD1-CB 3.68Å; F201-L204 HydrophobicContact CD1-CD2 4.16Å; F201-L204 HydrophobicContact CD1-CG 4.37Å; F201-L204 HydrophobicContact CD2-CB 4.27Å; F201-L204 HydrophobicContact CE1-CB 3.85Å; F201-L204 HydrophobicContact CE1-CD1 4.27Å; F201-L204 HydrophobicContact CE1-CG 4.43Å; F201-L204 HydrophobicContact CE2-CB 4.43Å; F201-L204 HydrophobicContact CG-CB 3.89Å; F201-L204 HydrophobicContact CZ-CB 4.22Å; P202-L204 PolarHBondContact O-N 3.31Å; L204-K206 PolarHBondContact O-N 2.89Å; L204-V208 HydrophobicContact CD1-CB 4.43Å; L204-V208 HydrophobicContact CD1-CG2 3.67Å; L204-V208 HydrophobicContact CG-CG2 4.48Å; L204-V208 PolarHBondContact O-N 3.21Å; L204-Y214 HydrophobicContact CB-CE2 4.19Å; L204-Y214 HydrophobicContact CD2-CD2 4.17Å; L204-Y214 HydrophobicContact CD2-CE2 3.78Å; L204-Y214 HydrophobicContact CG-CD2 3.99Å; L204-Y214 HydrophobicContact CG-CE2 3.69Å; L204-T217 HydrophobicContact CD1-CG2 4.2Å; L204-T217 HydrophobicContact CD2-CG2 4.42Å; L204-V218 HydrophobicContact CD2-CG2 3.82Å; L204-V244 HydrophobicContact CD1-CB 4.42Å; L204-V244 HydrophobicContact CD1-CG1 3.85Å; L204-V244 HydrophobicContact CD1-CG2 3.61Å
205G86.6Confident89.7Confident28 Ų2848.2 Ų48.229%0.28925%0.247SC..Hα-helixtrans-67.2-20.7177.600000114.2R194 P202 E203R194-G205 PolarHBondContact NH1-O 3.49Å; P202-G205 PolarHBondContact O-N 2.92Å; E203-G205 PolarHBondContact O-N 3.41Å; E203-G205 VanDerWaalsContact O-N 3.16Å
206K87.4Confident89.7Confident134 Ų13447.2 Ų47.258%0.58324%0.242SC*.Hα-helixtrans-93.4-41.3176.9-52.4178.6-159.1161.10111.7E203 L204E203-K206 WeakPolarHBondContact O-CB 3.47Å; E203-K206 PolarHBondContact O-N 3.08Å; E203-K206 IonicContact OE1-NZ 2.67Å; E203-K206 PolarHBondContact OE1-NZ 3.45Å; E203-K206 WeakPolarHBondContact OE2-CD 3.44Å; E203-K206 VanDerWaalsContact OE2-CE 3.31Å; E203-K206 WeakPolarHBondContact OE2-CE 3.37Å; E203-K206 IonicContact OE2-NZ 2.66Å; E203-K206 PolarHBondContact OE2-NZ 2.79Å; L204-K206 PolarHBondContact O-N 2.89Å
207V88.6Confident89.6Confident34 Ų3443 Ų4321%0.20623%0.226CC..Hα-helixtrans-70.4-52.3-178.8175.40000111E203 T209 I240 E243 V244E203-V207 PolarHBondContact O-N 3.28Å; V207-T209 PolarHBondContact O-N 2.87Å; V207-I240 HydrophobicContact CG1-CG2 3.68Å; V207-E243 HydrophobicContact CG1-CB 4.02Å; V207-V244 HydrophobicContact CB-CG2 4.4Å; V207-V244 HydrophobicContact CG1-CG2 3.72Å
208V88.7Confident89.5Confident4 Ų443 Ų432%0.02423%0.226CC..  trans-91.494.7-177.6-176.30000110.1R194 L204 A213 Y214 L236 I240 V244R194-V208 VanDerWaalsContact CZ-O 3.31Å; R194-V208 PolarHBondContact NH1-O 3.27Å; R194-V208 PolarHBondContact NH2-O 2.85Å; L204-V208 HydrophobicContact CD1-CB 4.43Å; L204-V208 HydrophobicContact CD1-CG2 3.67Å; L204-V208 HydrophobicContact CG-CG2 4.48Å; L204-V208 PolarHBondContact O-N 3.21Å; V208-A213 HydrophobicContact CG1-CB 4.04Å; V208-Y214 HydrophobicContact CB-CD2 4.32Å; V208-L236 HydrophobicContact CG1-CD2 3.98Å; V208-L236 HydrophobicContact CG2-CD1 4Å; V208-L236 HydrophobicContact CG2-CD2 3.98Å; V208-I240 HydrophobicContact CG2-CG2 4.14Å; V208-V244 HydrophobicContact CG2-CG2 3.97Å
209T87.6Confident89.5Confident120 Ų12048.2 Ų48.274%0.73624%0.239SC*.  trans-76.6-29.3-177.553.30000114.2R194 V207R194-T209 PolarHBondContact NH2-O 3.33Å; R194-T209 VanDerWaalsContact NH2-O 3.12Å; V207-T209 PolarHBondContact O-N 2.87Å
210D90.3Very high89.4Confident86 Ų8642.9 Ų42.946%0.4622%0.221SC..  trans-74.4134.4171.4175.543.3000111.4R194 L212 A213 Y214R194-D210 PolarHBondContact NH2-O 3.27Å; D210-L212 PolarHBondContact OD1-N 3.16Å; D210-L212 WeakPolarHBondContact OD2-CB 3.41Å; D210-L212 PolarHBondContact OD2-N 2.81Å; D210-A213 HydrophobicContact CB-CB 4.09Å; D210-A213 WeakPolarHBondContact OD2-CB 3.15Å; D210-A213 PolarHBondContact OD2-N 3.18Å; D210-Y214 VanDerWaalsContact O-CB 3.27Å; D210-Y214 WeakPolarHBondContact O-CB 3.32Å; D210-Y214 PolarHBondContact O-N 2.75Å; D210-Y214 VanDerWaalsContact O-N 3.08Å
211N90.5Very high89.3Confident40 Ų4042.9 Ų42.921%0.21422%0.221CC..Hα-helixtrans-74.6-34.4-178.6-70.9-18.1000112.8N190 R194 Y214 C215N190-N211 HydrophobicContact CB-CB 3.99Å; N190-N211 VanDerWaalsContact CG-CB 3.5Å; R194-N211 VanDerWaalsContact CZ-OD1 3.28Å; R194-N211 PolarHBondContact NE-OD1 2.77Å; R194-N211 PolarHBondContact NH2-OD1 3.04Å; N211-Y214 PolarHBondContact O-N 2.91Å; N211-C215 PolarHBondContact O-N 3.12Å; N211-C215 PolarHBondContact O-SG 2.89Å; N211-C215 VanDerWaalsContact O-SG 3.39Å
212L90.8Very high89Confident67 Ų6742.9 Ų42.935%0.35122%0.221SC..Hα-helixtrans-74.7-43.4-177.5-171156.9000110.5D210 Y214 K216 S275D210-L212 PolarHBondContact OD1-N 3.16Å; D210-L212 WeakPolarHBondContact OD2-CB 3.41Å; D210-L212 PolarHBondContact OD2-N 2.81Å; L212-Y214 VanDerWaalsContact C-N 3.34Å; L212-K216 HydrophobicContact CD2-CD 3.8Å; L212-K216 VanDerWaalsContact CD2-CE 3.5Å; L212-K216 HydrophobicContact CD2-CG 4.43Å; L212-K216 WeakPolarHBondContact O-CG 3.5Å; L212-K216 PolarHBondContact O-N 2.82Å; L212-S275 WeakPolarHBondContact CD1-OG 3.27Å
213A90.8Very high88.7Confident12 Ų1242.7 Ų42.710%0.09922%0.217CC..Hα-helixtrans-60.3-40.1168.900000112.2V208 D210 K216 T217 I235 L236V208-A213 HydrophobicContact CG1-CB 4.04Å; D210-A213 HydrophobicContact CB-CB 4.09Å; D210-A213 WeakPolarHBondContact OD2-CB 3.15Å; D210-A213 PolarHBondContact OD2-N 3.18Å; A213-K216 PolarHBondContact O-N 2.93Å; A213-T217 WeakPolarHBondContact O-CB 3.4Å; A213-T217 PolarHBondContact O-N 3.36Å; A213-T217 PolarHBondContact O-OG1 3.19Å; A213-I235 HydrophobicContact CB-CG2 4.24Å; A213-L236 HydrophobicContact CB-CD2 4.01Å
214Y91.6Very high88.3Confident1 Ų143.7 Ų43.70%0.00422%0.22CC..Hα-helixtrans-58.2-55175.3-176.8-90.9000111.6C193 R194 L204 V208 D210 N211 L212 K216 T217 V218C193-Y214 HydrophobicContact CB-CE1 4.48Å; R194-Y214 HydrophobicContact CB-CE1 4.36Å; R194-Y214 HydrophobicContact CG-CD1 3.96Å; R194-Y214 HydrophobicContact CG-CE1 3.7Å; R194-Y214 HydrophobicContact CG-CE2 4.31Å; R194-Y214 HydrophobicContact CG-CG 4.38Å; L204-Y214 HydrophobicContact CB-CE2 4.19Å; L204-Y214 HydrophobicContact CD2-CD2 4.17Å; L204-Y214 HydrophobicContact CD2-CE2 3.78Å; L204-Y214 HydrophobicContact CG-CD2 3.99Å; L204-Y214 HydrophobicContact CG-CE2 3.69Å; V208-Y214 HydrophobicContact CB-CD2 4.32Å; D210-Y214 VanDerWaalsContact O-CB 3.27Å; D210-Y214 WeakPolarHBondContact O-CB 3.32Å; D210-Y214 PolarHBondContact O-N 2.75Å; D210-Y214 VanDerWaalsContact O-N 3.08Å; N211-Y214 PolarHBondContact O-N 2.91Å; L212-Y214 VanDerWaalsContact C-N 3.34Å; Y214-K216 VanDerWaalsContact C-N 3.34Å; Y214-K216 PolarHBondContact O-N 3.45Å; Y214-T217 WeakPolarHBondContact O-CB 3.26Å; Y214-T217 PolarHBondContact O-N 3.45Å; Y214-T217 VanDerWaalsContact O-N 3.09Å; Y214-V218 HydrophobicContact CD1-CG2 4.12Å; Y214-V218 HydrophobicContact CE1-CG2 3.81Å; Y214-V218 WeakPolarHBondContact O-CG2 3.38Å; Y214-V218 PolarHBondContact O-N 2.96Å
215C91.4Very high87.9Confident0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-62.5-37.6-179.7-66.10000112.5N211 R219 C268 V271N211-C215 PolarHBondContact O-N 3.12Å; N211-C215 PolarHBondContact O-SG 2.89Å; N211-C215 VanDerWaalsContact O-SG 3.39Å; C215-R219 VanDerWaalsContact O-CB 3.32Å; C215-R219 WeakPolarHBondContact O-CB 3.49Å; C215-R219 PolarHBondContact O-N 3.02Å; C215-C268 HydrophobicContact CB-CB 4.21Å; C215-V271 HydrophobicContact CB-CG1 4.31Å
216K90.9Very high87.6Confident78 Ų7849.8 Ų49.834%0.33925%0.249SC..Hα-helixtrans-64.7-38.8172.4-75.3-176.3177.4-178.70112.9L212 A213 Y214 R219 K220 I235 I272L212-K216 HydrophobicContact CD2-CD 3.8Å; L212-K216 VanDerWaalsContact CD2-CE 3.5Å; L212-K216 HydrophobicContact CD2-CG 4.43Å; L212-K216 WeakPolarHBondContact O-CG 3.5Å; L212-K216 PolarHBondContact O-N 2.82Å; A213-K216 PolarHBondContact O-N 2.93Å; Y214-K216 VanDerWaalsContact C-N 3.34Å; Y214-K216 PolarHBondContact O-N 3.45Å; K216-R219 WeakPolarHBondContact O-CB 3.49Å; K216-K220 PolarHBondContact O-N 2.86Å; K216-K220 VanDerWaalsContact O-N 3.11Å; K216-I235 HydrophobicContact CB-CD1 4.05Å; K216-I235 HydrophobicContact CB-CG1 4.22Å; K216-I235 HydrophobicContact CB-CG2 3.73Å; K216-I272 HydrophobicContact CG-CD1 3.76Å; K216-I272 HydrophobicContact CG-CG1 4.18Å
217T89.1Confident87.2Confident0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-66.5-50.3177.6-57.10000110.6L204 A213 Y214 R219 K220 V221 L232 L236L204-T217 HydrophobicContact CD1-CG2 4.2Å; L204-T217 HydrophobicContact CD2-CG2 4.42Å; A213-T217 WeakPolarHBondContact O-CB 3.4Å; A213-T217 PolarHBondContact O-N 3.36Å; A213-T217 PolarHBondContact O-OG1 3.19Å; Y214-T217 WeakPolarHBondContact O-CB 3.26Å; Y214-T217 PolarHBondContact O-N 3.45Å; Y214-T217 VanDerWaalsContact O-N 3.09Å; T217-R219 VanDerWaalsContact C-N 3.29Å; T217-R219 PolarHBondContact O-N 3.31Å; T217-K220 PolarHBondContact O-N 3.07Å; T217-K220 VanDerWaalsContact O-N 3.15Å; T217-V221 HydrophobicContact CG2-CG2 4.15Å; T217-V221 WeakPolarHBondContact O-CB 3.22Å; T217-V221 WeakPolarHBondContact O-CG2 3.36Å; T217-V221 PolarHBondContact O-N 3.18Å; T217-L232 HydrophobicContact CG2-CD1 4Å; T217-L232 HydrophobicContact CG2-CD2 4.3Å; T217-L236 HydrophobicContact CG2-CD1 4.26Å
218V90.1Very high86.6Confident1 Ų145.6 Ų45.61%0.00624%0.243CC..Hα-helixtrans-58.2-40.8177174.40000111.4Y197 L204 Y214 G222 I264Y197-V218 HydrophobicContact CD1-CG1 4.31Å; Y197-V218 HydrophobicContact CD1-CG2 3.58Å; Y197-V218 HydrophobicContact CD2-CG1 3.71Å; Y197-V218 HydrophobicContact CD2-CG2 4.48Å; Y197-V218 HydrophobicContact CE1-CG1 4.49Å; Y197-V218 HydrophobicContact CE1-CG2 3.76Å; Y197-V218 HydrophobicContact CE2-CG1 3.92Å; Y197-V218 HydrophobicContact CG-CG1 3.9Å; Y197-V218 HydrophobicContact CG-CG2 3.95Å; L204-V218 HydrophobicContact CD2-CG2 3.82Å; Y214-V218 HydrophobicContact CD1-CG2 4.12Å; Y214-V218 HydrophobicContact CE1-CG2 3.81Å; Y214-V218 WeakPolarHBondContact O-CG2 3.38Å; Y214-V218 PolarHBondContact O-N 2.96Å; V218-G222 PolarHBondContact O-N 3.34Å; V218-I264 HydrophobicContact CG1-CG2 3.73Å
219R90.4Very high86.2Confident130 Ų13051 Ų5149%0.49128%0.276SS..Hα-helixtrans-56.4-52.7173.4-171.1-162.3-159.8-164.111.5112.2C215 K216 T217 R265 C268 D269C215-R219 VanDerWaalsContact O-CB 3.32Å; C215-R219 WeakPolarHBondContact O-CB 3.49Å; C215-R219 PolarHBondContact O-N 3.02Å; K216-R219 WeakPolarHBondContact O-CB 3.49Å; T217-R219 VanDerWaalsContact C-N 3.29Å; T217-R219 PolarHBondContact O-N 3.31Å; R219-R265 PolarHBondContact O-NE 3.16Å; R219-C268 HydrophobicContact CB-CB 4.43Å; R219-D269 IonicContact CZ-OD1 3.08Å; R219-D269 IonicContact NE-OD1 2.68Å; R219-D269 PolarHBondContact NE-OD1 3.38Å; R219-D269 IonicContact NH2-OD1 2.71Å; R219-D269 PolarHBondContact NH2-OD1 3.3Å
220K87.3Confident85.8Confident72 Ų7246.4 Ų46.431%0.31325%0.248SC..Hα-helixtrans-70.8-36.6-174.9-158.2176-178.4-175.90112.3K216 T217 T230 D231 L232 E234 I235K216-K220 PolarHBondContact O-N 2.86Å; K216-K220 VanDerWaalsContact O-N 3.11Å; T217-K220 PolarHBondContact O-N 3.07Å; T217-K220 VanDerWaalsContact O-N 3.15Å; K220-T230 HydrophobicContact CD-CG2 4.17Å; K220-T230 HydrophobicContact CG-CG2 3.89Å; K220-D231 WeakPolarHBondContact CE-O 3.28Å; K220-D231 PolarHBondContact NZ-O 2.94Å; K220-L232 HydrophobicContact CD-CD2 4.35Å; K220-E234 IonicContact NZ-OE2 3.54Å; K220-E234 PolarHBondContact NZ-OE2 3.16Å; K220-I235 HydrophobicContact CB-CD1 4.18Å; K220-I235 HydrophobicContact CD-CD1 3.82Å
221V85.5Confident85.3Confident4 Ų446.3 Ų46.32%0.02425%0.247CC..Hα-helixtrans-78.3-61.8179.41730000112.4T217 D223 V227 L232 R265T217-V221 HydrophobicContact CG2-CG2 4.15Å; T217-V221 WeakPolarHBondContact O-CB 3.22Å; T217-V221 WeakPolarHBondContact O-CG2 3.36Å; T217-V221 PolarHBondContact O-N 3.18Å; V221-D223 VanDerWaalsContact CG1-O 3.27Å; V221-D223 WeakPolarHBondContact CG1-O 3.36Å; V221-D223 PolarHBondContact O-N 3.29Å; V221-V227 HydrophobicContact CG1-CG2 3.38Å; V221-V227 HydrophobicContact CG2-CG2 4.29Å; V221-L232 HydrophobicContact CG2-CD1 4.39Å; V221-L232 HydrophobicContact CG2-CD2 3.92Å; V221-R265 PolarHBondContact O-NH2 2.84Å; V221-R265 VanDerWaalsContact O-NH2 3.14Å
222G83.8Confident84.8Confident1 Ų144.4 Ų44.41%0.0124%0.237CC..  trans65.9-105-159.900000111.6Y197 V218Y197-G222 VanDerWaalsContact CE2-O 3.27Å; Y197-G222 WeakPolarHBondContact CE2-O 3.4Å; Y197-G222 PolarHBondContact OH-O 2.89Å; V218-G222 PolarHBondContact O-N 3.34Å
223D84.3Confident84.4Confident37 Ų3744.6 Ų44.620%0.19824%0.244CC..SBendtrans-72.9145.9-178.9-63.6-94.2000115.1V221 T225 N226 I261V221-D223 VanDerWaalsContact CG1-O 3.27Å; V221-D223 WeakPolarHBondContact CG1-O 3.36Å; V221-D223 PolarHBondContact O-N 3.29Å; D223-T225 WeakPolarHBondContact CB-OG1 2.97Å; D223-T225 PolarHBondContact O-N 3.32Å; D223-T225 VanDerWaalsContact O-N 3.16Å; D223-N226 PolarHBondContact O-N 2.95Å; D223-I261 WeakPolarHBondContact OD1-CD1 3.45Å
224R80.4Confident84.1Confident67 Ų6751.3 Ų51.325%0.25327%0.273SS..G310 helixtrans-52.6-33.3172.567.2-174.3-171.8160.74.1114H200 N226 V227 G253 E255H200-R224 PolarHBondContact NE2-N 2.87Å; R224-N226 VanDerWaalsContact C-N 3.3Å; R224-N226 PolarHBondContact O-N 2.89Å; R224-V227 WeakPolarHBondContact O-CB 3.39Å; R224-V227 WeakPolarHBondContact O-CG2 3.39Å; R224-V227 PolarHBondContact O-N 3.08Å; R224-G253 PolarHBondContact NH1-O 3.1Å; R224-E255 IonicContact CZ-OE1 3.61Å; R224-E255 IonicContact NE-OE1 3.76Å; R224-E255 IonicContact NH2-OE1 2.7Å; R224-E255 PolarHBondContact NH2-OE1 3.39Å
225T80.7Confident83.8Confident95 Ų9553.2 Ų53.258%0.58328%0.283SS*.G310 helixtrans-66.7-29.6178.247.60000112.9D223 V227D223-T225 WeakPolarHBondContact CB-OG1 2.97Å; D223-T225 PolarHBondContact O-N 3.32Å; D223-T225 VanDerWaalsContact O-N 3.16Å; T225-V227 VanDerWaalsContact C-N 3.33Å
226N80.5Confident83.4Confident62 Ų6253.8 Ų53.833%0.33229%0.286SS..G310 helixtrans-82.6-9.9179.5-61.6-36.1000112.7D223 R224 A228 T229 T230D223-N226 PolarHBondContact O-N 2.95Å; R224-N226 VanDerWaalsContact C-N 3.3Å; R224-N226 PolarHBondContact O-N 2.89Å; N226-A228 VanDerWaalsContact C-N 3.28Å; N226-A228 PolarHBondContact O-N 3.07Å; N226-T229 PolarHBondContact O-N 3.31Å; N226-T229 PolarHBondContact O-OG1 3.49Å; N226-T230 VanDerWaalsContact O-CB 3.25Å; N226-T230 WeakPolarHBondContact O-CB 3.37Å; N226-T230 PolarHBondContact O-N 2.79Å; N226-T230 PolarHBondContact O-OG1 3.4Å
227V78.3Confident83.3Confident2 Ų253.7 Ų53.71%0.01229%0.293CS..THydrogen-bonded Turntrans-60.9-38.5178.4179.50000111.4F201 V221 R224 T225 T229 V244 K245 A248F201-V227 HydrophobicContact CE1-CG2 4.42Å; V221-V227 HydrophobicContact CG1-CG2 3.38Å; V221-V227 HydrophobicContact CG2-CG2 4.29Å; R224-V227 WeakPolarHBondContact O-CB 3.39Å; R224-V227 WeakPolarHBondContact O-CG2 3.39Å; R224-V227 PolarHBondContact O-N 3.08Å; T225-V227 VanDerWaalsContact C-N 3.33Å; V227-T229 VanDerWaalsContact C-N 3.34Å; V227-T229 PolarHBondContact O-N 3Å; V227-V244 HydrophobicContact CG1-CG1 4.18Å; V227-K245 HydrophobicContact CG1-CG 3.83Å; V227-K245 WeakPolarHBondContact O-CE 3.49Å; V227-A248 HydrophobicContact CB-CB 3.82Å; V227-A248 HydrophobicContact CG1-CB 3.7Å; V227-A248 HydrophobicContact CG2-CB 3.97Å
228A76.1Confident83.1Confident79 Ų7961.3 Ų61.365%0.65333%0.329SS*.THydrogen-bonded Turntrans-69.6-28.4-178.400000113.6N226N226-A228 VanDerWaalsContact C-N 3.28Å; N226-A228 PolarHBondContact O-N 3.07Å
229T79.4Confident82.9Confident116 Ų11668.9 Ų68.971%0.71236%0.364SS*.THydrogen-bonded Turntrans-99.1-15.5-177.651.40000113.8N226 V227N226-T229 PolarHBondContact O-N 3.31Å; N226-T229 PolarHBondContact O-OG1 3.49Å; V227-T229 VanDerWaalsContact C-N 3.34Å; V227-T229 PolarHBondContact O-N 3Å
230T78.8Confident82.7Confident25 Ų2565.1 Ų65.115%0.15335%0.354CS..  trans-90.6137.7-177.2-56.40000111.6K220 N226 L232 K245K220-T230 HydrophobicContact CD-CG2 4.17Å; K220-T230 HydrophobicContact CG-CG2 3.89Å; N226-T230 VanDerWaalsContact O-CB 3.25Å; N226-T230 WeakPolarHBondContact O-CB 3.37Å; N226-T230 PolarHBondContact O-N 2.79Å; N226-T230 PolarHBondContact O-OG1 3.4Å; T230-L232 HydrophobicContact CG2-CD2 3.91Å; T230-K245 VanDerWaalsContact O-CE 3.3Å; T230-K245 WeakPolarHBondContact O-CE 3.36Å; T230-K245 PolarHBondContact O-NZ 2.75Å
231D81Confident82.7Confident84 Ų8462.4 Ų62.445%0.44934%0.342SS..  trans-87.7126.8169.7172.716.9000110.3K220 S233K220-D231 WeakPolarHBondContact CE-O 3.28Å; K220-D231 PolarHBondContact NZ-O 2.94Å; D231-S233 WeakPolarHBondContact OD1-CB 3.33Å; D231-S233 PolarHBondContact OD1-N 2.85Å; D231-S233 PolarHBondContact OD1-OG 3.47Å
232L80.5Confident82.7Confident0 Ų064.6 Ų64.60%036%0.36CS..  trans-110.84.4-179.6-54.7176.1000113.4T217 K220 V221 T230 E234 I235 L236 E241 V244T217-L232 HydrophobicContact CG2-CD1 4Å; T217-L232 HydrophobicContact CG2-CD2 4.3Å; K220-L232 HydrophobicContact CD-CD2 4.35Å; V221-L232 HydrophobicContact CG2-CD1 4.39Å; V221-L232 HydrophobicContact CG2-CD2 3.92Å; T230-L232 HydrophobicContact CG2-CD2 3.91Å; L232-E234 PolarHBondContact O-N 2.99Å; L232-I235 PolarHBondContact O-N 3.45Å; L232-L236 HydrophobicContact CB-CD1 4.45Å; L232-L236 HydrophobicContact CD1-CD1 4.27Å; L232-L236 PolarHBondContact O-N 3.12Å; L232-E241 VanDerWaalsContact C-OE2 3.23Å; L232-E241 HydrophobicContact CB-CB 4.48Å; L232-E241 HydrophobicContact CB-CG 4.02Å; L232-E241 HydrophobicContact CD1-CG 4.45Å; L232-E241 PolarHBondContact N-OE1 3.47Å; L232-E241 PolarHBondContact N-OE2 2.9Å; L232-V244 HydrophobicContact CD1-CG1 4.17Å
233S81.8Confident82.9Confident70 Ų7070 Ų7049%0.4939%0.385SS..THydrogen-bonded Turntrans-60.7-20-173.5-510000114.3D231 I235 E241D231-S233 WeakPolarHBondContact OD1-CB 3.33Å; D231-S233 PolarHBondContact OD1-N 2.85Å; D231-S233 PolarHBondContact OD1-OG 3.47Å; S233-I235 VanDerWaalsContact C-N 3.3Å; S233-E241 PolarHBondContact N-OE2 3.44Å; S233-E241 PolarHBondContact OG-OE2 2.88Å
234E84.3Confident83Confident154 Ų15468.2 Ų68.272%0.7238%0.376SS*.THydrogen-bonded Turntrans-75-16.1173.8-61.6177.2127.700113.8K220 L232K220-E234 IonicContact NZ-OE2 3.54Å; K220-E234 PolarHBondContact NZ-OE2 3.16Å; L232-E234 PolarHBondContact O-N 2.99Å
235I84.3Confident83.3Confident41 Ų4167.9 Ų67.921%0.2138%0.376CS..THydrogen-bonded Turntrans-123.8-38.8-167.5-57.7163000111.2A213 K216 K220 L232 S233A213-I235 HydrophobicContact CB-CG2 4.24Å; K216-I235 HydrophobicContact CB-CD1 4.05Å; K216-I235 HydrophobicContact CB-CG1 4.22Å; K216-I235 HydrophobicContact CB-CG2 3.73Å; K220-I235 HydrophobicContact CB-CD1 4.18Å; K220-I235 HydrophobicContact CD-CD1 3.82Å; L232-I235 PolarHBondContact O-N 3.45Å; S233-I235 VanDerWaalsContact C-N 3.3Å
236L84.4Confident83.6Confident11 Ų1168.2 Ų68.26%0.05837%0.374CS..SBendtrans-123.2148.3-175.4-63.4176.3000110.9V208 A213 T217 L232 I240 V244V208-L236 HydrophobicContact CG1-CD2 3.98Å; V208-L236 HydrophobicContact CG2-CD1 4Å; V208-L236 HydrophobicContact CG2-CD2 3.98Å; A213-L236 HydrophobicContact CB-CD2 4.01Å; T217-L236 HydrophobicContact CG2-CD1 4.26Å; L232-L236 HydrophobicContact CB-CD1 4.45Å; L232-L236 HydrophobicContact CD1-CD1 4.27Å; L232-L236 PolarHBondContact O-N 3.12Å; L236-I240 HydrophobicContact CD1-CG2 4.37Å; L236-I240 HydrophobicContact CD2-CG2 4.31Å; L236-V244 HydrophobicContact CD1-CG2 4.26Å
237P88.1Confident84Confident76 Ų7666.1 Ų66.149%0.49437%0.365SS..  trans-62147.9164.4-18.531.6000111.6E239 I240 E241P237-E239 PolarHBondContact O-N 3.44Å; P237-E239 VanDerWaalsContact O-N 3.13Å; P237-I240 HydrophobicContact CG-CD1 4.2Å; P237-I240 HydrophobicContact CG-CG1 4.47Å; P237-I240 PolarHBondContact O-N 3.33Å; P237-E241 PolarHBondContact O-N 3.44Å
238E85Confident84.4Confident160 Ų16066.7 Ų66.775%0.74837%0.37SS*.Hα-helixtrans-51.3-38.5-178.5-63.3175.8-168.300113.5I240 E241 A242E238-I240 PolarHBondContact O-N 2.9Å; E238-E241 PolarHBondContact O-N 2.82Å; E238-A242 WeakPolarHBondContact O-CB 3.42Å; E238-A242 PolarHBondContact O-N 3.43Å
239E86.5Confident84.8Confident161 Ų16170.5 Ų70.575%0.75238%0.375SS*.Hα-helixtrans-58.1-45.7176.2-61.6-179.5157.500111.9P237 E243P237-E239 PolarHBondContact O-N 3.44Å; P237-E239 VanDerWaalsContact O-N 3.13Å; E239-E243 PolarHBondContact O-N 2.88Å
240I86.8Confident85.1Confident51 Ų5171.3 Ų71.326%0.26237%0.373SS..Hα-helixtrans-76.8-35.3-178.2-53.5-172.4000110.3V207 V208 L236 P237 E238 A242 E243 V244V207-I240 HydrophobicContact CG1-CG2 3.68Å; V208-I240 HydrophobicContact CG2-CG2 4.14Å; L236-I240 HydrophobicContact CD1-CG2 4.37Å; L236-I240 HydrophobicContact CD2-CG2 4.31Å; P237-I240 HydrophobicContact CG-CD1 4.2Å; P237-I240 HydrophobicContact CG-CG1 4.47Å; P237-I240 PolarHBondContact O-N 3.33Å; E238-I240 PolarHBondContact O-N 2.9Å; I240-A242 VanDerWaalsContact C-N 3.35Å; I240-A242 PolarHBondContact O-N 3.3Å; I240-E243 PolarHBondContact O-N 3.03Å; I240-V244 HydrophobicContact CG2-CG2 4.48Å; I240-V244 VanDerWaalsContact O-CG2 3.31Å; I240-V244 WeakPolarHBondContact O-CG2 3.49Å; I240-V244 PolarHBondContact O-N 3.23Å
241E86Confident85.5Confident14 Ų1470.9 Ų70.97%0.06537%0.371CS..Hα-helixtrans-62.2-40.8173.7175.4166-17400112.2L232 S233 P237 E238 V244 K245L232-E241 VanDerWaalsContact C-OE2 3.23Å; L232-E241 HydrophobicContact CB-CB 4.48Å; L232-E241 HydrophobicContact CB-CG 4.02Å; L232-E241 HydrophobicContact CD1-CG 4.45Å; L232-E241 PolarHBondContact N-OE1 3.47Å; L232-E241 PolarHBondContact N-OE2 2.9Å; S233-E241 PolarHBondContact N-OE2 3.44Å; S233-E241 PolarHBondContact OG-OE2 2.88Å; P237-E241 PolarHBondContact O-N 3.44Å; E238-E241 PolarHBondContact O-N 2.82Å; E241-V244 PolarHBondContact O-N 3.14Å; E241-K245 HydrophobicContact CG-CD 4.05Å; E241-K245 PolarHBondContact O-N 3.43Å; E241-K245 WeakPolarHBondContact OE1-CE 3.49Å; E241-K245 IonicContact OE1-NZ 3.43Å; E241-K245 PolarHBondContact OE1-NZ 2.66Å
242A86.2Confident85.7Confident50 Ų5074.3 Ų74.341%0.41339%0.386SS..Hα-helixtrans-63.3-44.417500000111.9E238 I240 K245 L246E238-A242 WeakPolarHBondContact O-CB 3.42Å; E238-A242 PolarHBondContact O-N 3.43Å; I240-A242 VanDerWaalsContact C-N 3.35Å; I240-A242 PolarHBondContact O-N 3.3Å; A242-K245 PolarHBondContact O-N 2.91Å; A242-L246 WeakPolarHBondContact O-CG 3.3Å; A242-L246 PolarHBondContact O-N 3.25Å
243E87.1Confident86Confident114 Ų11474.8 Ų74.853%0.53339%0.391SS..Hα-helixtrans-61.4-41.9173.9-72.7-172.516900112.3V207 E239 I240 K245 L246 A247V207-E243 HydrophobicContact CG1-CB 4.02Å; E239-E243 PolarHBondContact O-N 2.88Å; I240-E243 PolarHBondContact O-N 3.03Å; E243-K245 PolarHBondContact O-N 3.18Å; E243-L246 PolarHBondContact O-N 2.84Å; E243-A247 WeakPolarHBondContact O-CB 3.46Å; E243-A247 PolarHBondContact O-N 2.72Å
244V87.3Confident86.3Confident1 Ų175.1 Ų75.11%0.00639%0.39CS..Hα-helixtrans-63.3-40.2176.4168.30000111.8F201 L204 V207 V208 V227 L232 L236 I240 E241 A247 A248F201-V244 HydrophobicContact CE1-CG1 4.15Å; F201-V244 HydrophobicContact CZ-CG1 4.41Å; L204-V244 HydrophobicContact CD1-CB 4.42Å; L204-V244 HydrophobicContact CD1-CG1 3.85Å; L204-V244 HydrophobicContact CD1-CG2 3.61Å; V207-V244 HydrophobicContact CB-CG2 4.4Å; V207-V244 HydrophobicContact CG1-CG2 3.72Å; V208-V244 HydrophobicContact CG2-CG2 3.97Å; V227-V244 HydrophobicContact CG1-CG1 4.18Å; L232-V244 HydrophobicContact CD1-CG1 4.17Å; L236-V244 HydrophobicContact CD1-CG2 4.26Å; I240-V244 HydrophobicContact CG2-CG2 4.48Å; I240-V244 VanDerWaalsContact O-CG2 3.31Å; I240-V244 WeakPolarHBondContact O-CG2 3.49Å; I240-V244 PolarHBondContact O-N 3.23Å; E241-V244 PolarHBondContact O-N 3.14Å; V244-A247 PolarHBondContact O-N 3.2Å; V244-A248 WeakPolarHBondContact O-CB 3.21Å; V244-A248 PolarHBondContact O-N 3.44Å
245K87.2Confident86.4Confident59 Ų5974.8 Ų74.826%0.25739%0.388SS..Hα-helixtrans-66.4-46.3177.8-80.1168.8172.7174.60111.9V227 T230 E241 A242 E243 A247 A248 E249V227-K245 HydrophobicContact CG1-CG 3.83Å; V227-K245 WeakPolarHBondContact O-CE 3.49Å; T230-K245 VanDerWaalsContact O-CE 3.3Å; T230-K245 WeakPolarHBondContact O-CE 3.36Å; T230-K245 PolarHBondContact O-NZ 2.75Å; E241-K245 HydrophobicContact CG-CD 4.05Å; E241-K245 PolarHBondContact O-N 3.43Å; E241-K245 WeakPolarHBondContact OE1-CE 3.49Å; E241-K245 IonicContact OE1-NZ 3.43Å; E241-K245 PolarHBondContact OE1-NZ 2.66Å; A242-K245 PolarHBondContact O-N 2.91Å; E243-K245 PolarHBondContact O-N 3.18Å; K245-A247 PolarHBondContact O-N 3Å; K245-A248 PolarHBondContact O-N 3.44Å; K245-E249 PolarHBondContact O-N 3.09Å
246L86.8Confident86.5Confident103 Ų10374.8 Ų74.854%0.53939%0.391SS..Hα-helixtrans-63.1-39.9174-67.6169.6000112.3A242 E243 A248 E249 I250A242-L246 WeakPolarHBondContact O-CG 3.3Å; A242-L246 PolarHBondContact O-N 3.25Å; E243-L246 PolarHBondContact O-N 2.84Å; L246-A248 VanDerWaalsContact C-N 3.29Å; L246-A248 PolarHBondContact O-N 3.19Å; L246-E249 PolarHBondContact O-N 3.06Å; L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.38Å
247A87.3Confident86.8Confident17 Ų1776.6 Ų76.614%0.1440%0.404CS..Hα-helixtrans-67.7-27.6177.400000113F201 E203 E243 V244 K245 S251F201-A247 HydrophobicContact CE2-CB 3.98Å; F201-A247 WeakPolarHBondContact CE2-O 3.24Å; F201-A247 HydrophobicContact CZ-CB 4.03Å; E203-A247 HydrophobicContact CB-CB 4.1Å; E243-A247 WeakPolarHBondContact O-CB 3.46Å; E243-A247 PolarHBondContact O-N 2.72Å; V244-A247 PolarHBondContact O-N 3.2Å; K245-A247 PolarHBondContact O-N 3Å; A247-S251 WeakPolarHBondContact O-CA 3.49Å; A247-S251 WeakPolarHBondContact O-CB 3.44Å; A247-S251 PolarHBondContact O-N 3.13Å
248A86.7Confident86.7Confident15 Ų1581 Ų8112%0.12442%0.418CS..Hα-helixtrans-71.6-39.9176.300000112.2F201 V227 V244 K245 L246 I250 S251F201-A248 HydrophobicContact CE1-CB 4.13Å; F201-A248 HydrophobicContact CE2-CB 4.49Å; F201-A248 HydrophobicContact CZ-CB 3.83Å; V227-A248 HydrophobicContact CB-CB 3.82Å; V227-A248 HydrophobicContact CG1-CB 3.7Å; V227-A248 HydrophobicContact CG2-CB 3.97Å; V244-A248 WeakPolarHBondContact O-CB 3.21Å; V244-A248 PolarHBondContact O-N 3.44Å; K245-A248 PolarHBondContact O-N 3.44Å; L246-A248 VanDerWaalsContact C-N 3.29Å; L246-A248 PolarHBondContact O-N 3.19Å; A248-I250 VanDerWaalsContact C-N 3.3Å; A248-I250 PolarHBondContact O-N 2.86Å; A248-S251 WeakPolarHBondContact O-CB 3.4Å; A248-S251 PolarHBondContact O-N 3.11Å
249E85.1Confident86.9Confident159 Ų15981 Ų8174%0.74342%0.418SS*.Hα-helixtrans-64.3-34.1175.2-66.7-176.1171.700112.6K245 L246K245-E249 PolarHBondContact O-N 3.09Å; L246-E249 PolarHBondContact O-N 3.06Å
250I86.8Confident87.1Confident133 Ų13376.5 Ų76.568%0.68240%0.399SS*.THydrogen-bonded Turntrans-98.55.4-176.2-52.9170.3000111.3L246 A248 M252L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.38Å; A248-I250 VanDerWaalsContact C-N 3.3Å; A248-I250 PolarHBondContact O-N 2.86Å; I250-M252 PolarHBondContact O-N 3.15Å
251S86.9Confident87.2Confident15 Ų1574.2 Ų74.211%0.10539%0.387CS..  trans-64.8125.6-170.8-177.40000113.6A247 A248 G253A247-S251 WeakPolarHBondContact O-CA 3.49Å; A247-S251 WeakPolarHBondContact O-CB 3.44Å; A247-S251 PolarHBondContact O-N 3.13Å; A248-S251 WeakPolarHBondContact O-CB 3.4Å; A248-S251 PolarHBondContact O-N 3.11Å; S251-G253 VanDerWaalsContact C-N 3.26Å; S251-G253 PolarHBondContact O-N 3.37Å; S251-G253 PolarHBondContact OG-N 3.24Å
252M85.4Confident87.4Confident157 Ų15775.1 Ų75.177%0.77340%0.401SS*.  trans-823.5173.1-57.5-175.5-64.100113.8I250I250-M252 PolarHBondContact O-N 3.15Å
253G86.7Confident87.7Confident9 Ų976.9 Ų76.99%0.09340%0.403CS..PPolyproline II helixtrans-71.8154-176.600000114.1W199 H200 R224 S251W199-G253 CarbonylContact O-C 3.55Å; W199-G253 WeakPolarHBondContact O-CA 3.41Å; H200-G253 WeakPolarHBondContact O-CA 3.31Å; R224-G253 PolarHBondContact NH1-O 3.1Å; S251-G253 VanDerWaalsContact C-N 3.26Å; S251-G253 PolarHBondContact O-N 3.37Å; S251-G253 PolarHBondContact OG-N 3.24Å
254T87.8Confident87.9Confident78 Ų7871.7 Ų71.748%0.47938%0.379SS..PPolyproline II helixtrans-79.4149.4-178.453.90000112.1W199 H200W199-T254 PolarHBondContact O-N 3.04Å; W199-T254 PolarHBondContact O-OG1 3.48Å; W199-T254 VanDerWaalsContact O-OG1 3.1Å; H200-T254 WeakPolarHBondContact CA-O 3.38Å; H200-T254 PolarHBondContact ND1-O 3.15Å
255E85.4Confident88.1Confident146 Ų14675.6 Ų75.668%0.68239%0.393SS*.PPolyproline II helixtrans-70141.6168.8-62-175.1155.400110.2R224R224-E255 IonicContact CZ-OE1 3.61Å; R224-E255 IonicContact NE-OE1 3.76Å; R224-E255 IonicContact NH2-OE1 2.7Å; R224-E255 PolarHBondContact NH2-OE1 3.39Å
256V86.8Confident88.4Confident42 Ų4278.2 Ų78.226%0.25541%0.406SS..  trans-130.4152.9-170.81730000108.2H200 D260 I261H200-V256 HydrophobicContact CB-CG2 3.92Å; V256-D260 HydrophobicContact CG1-CB 3.57Å; V256-I261 HydrophobicContact CB-CD1 4.43Å; V256-I261 HydrophobicContact CB-CG1 4.4Å; V256-I261 HydrophobicContact CG1-CG1 4.04Å
257S90.3Very high88.7Confident48 Ų4874.4 Ų74.434%0.33639%0.386SS..  trans-71.7149.1-177.587.70000112.4Q259 D260 I261S257-Q259 PolarHBondContact O-N 2.79Å; S257-Q259 VanDerWaalsContact O-N 3.13Å; S257-Q259 PolarHBondContact OG-N 2.77Å; S257-D260 WeakPolarHBondContact CB-OD2 3.43Å; S257-D260 PolarHBondContact O-N 3.47Å; S257-D260 VanDerWaalsContact O-N 3.1Å; S257-D260 VanDerWaalsContact OG-CG 3.31Å; S257-D260 PolarHBondContact OG-N 3.23Å; S257-D260 VanDerWaalsContact OG-N 3.13Å; S257-D260 PolarHBondContact OG-OD2 2.9Å; S257-I261 WeakPolarHBondContact O-CG1 3.34Å; S257-I261 PolarHBondContact O-N 2.84Å
258E86.7Confident89Confident170 Ų17073.6 Ų73.679%0.79438%0.38SS*.Hα-helixtrans-55.8-29.6173.2-63.9-179.9-177.900112.4G262E258-G262 PolarHBondContact O-N 3.32Å
259Q89.8Confident89.3Confident160 Ų16075.2 Ų75.275%0.74839%0.386SS*.Hα-helixtrans-69.6-44.8177.8-60-176.6400111.2S257 G262 N263S257-Q259 PolarHBondContact O-N 2.79Å; S257-Q259 VanDerWaalsContact O-N 3.13Å; S257-Q259 PolarHBondContact OG-N 2.77Å; Q259-G262 PolarHBondContact O-N 3.15Å; Q259-N263 PolarHBondContact O-N 3.19Å; Q259-N263 PolarHBondContact O-ND2 3.11Å
260D89.5Confident89.7Confident65 Ų6571.5 Ų71.535%0.34837%0.369SS..Hα-helixtrans-67.1-37.7175.9-63.6-59.4000111.6V256 S257 G262 N263 I264V256-D260 HydrophobicContact CG1-CB 3.57Å; S257-D260 WeakPolarHBondContact CB-OD2 3.43Å; S257-D260 PolarHBondContact O-N 3.47Å; S257-D260 VanDerWaalsContact O-N 3.1Å; S257-D260 VanDerWaalsContact OG-CG 3.31Å; S257-D260 PolarHBondContact OG-N 3.23Å; S257-D260 VanDerWaalsContact OG-N 3.13Å; S257-D260 PolarHBondContact OG-OD2 2.9Å; D260-G262 VanDerWaalsContact C-N 3.31Å; D260-G262 PolarHBondContact O-N 3.32Å; D260-N263 WeakPolarHBondContact O-CB 3.31Å; D260-N263 PolarHBondContact O-N 3.1Å; D260-N263 VanDerWaalsContact O-N 3.17Å; D260-I264 VanDerWaalsContact O-CG1 3.32Å; D260-I264 WeakPolarHBondContact O-CG1 3.45Å; D260-I264 PolarHBondContact O-N 2.96Å
261I88.9Confident90.1Very high3 Ų365.4 Ų65.42%0.01534%0.338CS..Hα-helixtrans-65.6-36173.8-66.3171.5000110.8D223 V256 S257 I264 R265D223-I261 WeakPolarHBondContact OD1-CD1 3.45Å; V256-I261 HydrophobicContact CB-CD1 4.43Å; V256-I261 HydrophobicContact CB-CG1 4.4Å; V256-I261 HydrophobicContact CG1-CG1 4.04Å; S257-I261 WeakPolarHBondContact O-CG1 3.34Å; S257-I261 PolarHBondContact O-N 2.84Å; I261-I264 PolarHBondContact O-N 2.81Å; I261-R265 WeakPolarHBondContact O-CB 3.25Å; I261-R265 WeakPolarHBondContact O-CG 3.28Å; I261-R265 PolarHBondContact O-N 2.99Å
262G90.8Very high90.4Very high34 Ų3465.3 Ų65.335%0.35134%0.336SS..Hα-helixtrans-58.7-46.4168.500000112.6E258 Q259 D260 R265 H266E258-G262 PolarHBondContact O-N 3.32Å; Q259-G262 PolarHBondContact O-N 3.15Å; D260-G262 VanDerWaalsContact C-N 3.31Å; D260-G262 PolarHBondContact O-N 3.32Å; G262-R265 PolarHBondContact O-N 2.84Å; G262-H266 PolarHBondContact O-N 3.22Å
263N92Very high90.8Very high87 Ų8764.3 Ų64.347%0.46533%0.33SS..Hα-helixtrans-63.6-42.7176.8-65.4-37.8000112.4W196 Q259 D260 H266 L267W196-N263 HydrophobicContact CH2-CB 3.83Å; W196-N263 HydrophobicContact CZ2-CB 4.11Å; Q259-N263 PolarHBondContact O-N 3.19Å; Q259-N263 PolarHBondContact O-ND2 3.11Å; D260-N263 WeakPolarHBondContact O-CB 3.31Å; D260-N263 PolarHBondContact O-N 3.1Å; D260-N263 VanDerWaalsContact O-N 3.17Å; N263-H266 PolarHBondContact O-N 2.9Å; N263-L267 PolarHBondContact O-N 3.03Å
264I92.1Very high91Very high4 Ų465.7 Ų65.72%0.02134%0.335CS..Hα-helixtrans-64.7-43.2176.7-67.7164.8000111W196 Y197 V218 D260 I261 H266 L267 C268W196-I264 HydrophobicContact CD2-CD1 4.29Å; W196-I264 HydrophobicContact CD2-CG1 3.65Å; W196-I264 HydrophobicContact CE3-CG1 4.1Å; W196-I264 HydrophobicContact CG-CD1 4.04Å; W196-I264 HydrophobicContact CG-CG1 3.86Å; W196-I264 HydrophobicContact CZ2-CG1 4.27Å; Y197-I264 HydrophobicContact CD2-CD1 4.4Å; Y197-I264 HydrophobicContact CD2-CG2 4.05Å; V218-I264 HydrophobicContact CG1-CG2 3.73Å; D260-I264 VanDerWaalsContact O-CG1 3.32Å; D260-I264 WeakPolarHBondContact O-CG1 3.45Å; D260-I264 PolarHBondContact O-N 2.96Å; I261-I264 PolarHBondContact O-N 2.81Å; I264-H266 VanDerWaalsContact C-N 3.31Å; I264-H266 PolarHBondContact O-N 3.5Å; I264-L267 PolarHBondContact O-N 3.05Å; I264-C268 PolarHBondContact O-N 2.9Å; I264-C268 PolarHBondContact O-SG 3.47Å
265R91.9Very high91.3Very high83 Ų8363.3 Ų63.331%0.31332%0.321SS..Hα-helixtrans-58.3-43.5173.7-81.3175.1161.7147.8-4.9111.4R219 V221 I261 G262 L267 C268 D269R219-R265 PolarHBondContact O-NE 3.16Å; V221-R265 PolarHBondContact O-NH2 2.84Å; V221-R265 VanDerWaalsContact O-NH2 3.14Å; I261-R265 WeakPolarHBondContact O-CB 3.25Å; I261-R265 WeakPolarHBondContact O-CG 3.28Å; I261-R265 PolarHBondContact O-N 2.99Å; G262-R265 PolarHBondContact O-N 2.84Å; R265-L267 PolarHBondContact O-N 3.45Å; R265-C268 WeakPolarHBondContact O-CA 3.19Å; R265-C268 WeakPolarHBondContact O-CB 3.21Å; R265-C268 PolarHBondContact O-N 3.27Å; R265-C268 VanDerWaalsContact O-N 3.12Å; R265-D269 PolarHBondContact O-N 3.27Å
266H93.4Very high91.6Very high114 Ų11461.5 Ų61.553%0.52831%0.312SS..Hα-helixtrans-67.4-34.7179.3-154.656.1000112.9G262 N263 I264 D269 Q270G262-H266 PolarHBondContact O-N 3.22Å; N263-H266 PolarHBondContact O-N 2.9Å; I264-H266 VanDerWaalsContact C-N 3.31Å; I264-H266 PolarHBondContact O-N 3.5Å; H266-D269 IonicContact ND1-OD2 3.98Å; H266-D269 WeakPolarHBondContact O-CB 3.42Å; H266-D269 PolarHBondContact O-N 2.83Å; H266-Q270 WeakPolarHBondContact O-CG 3.39Å; H266-Q270 PolarHBondContact O-N 2.83Å; H266-Q270 VanDerWaalsContact O-N 3.11Å
267L92.8Very high91.8Very high23 Ų2364.8 Ų64.812%0.1232%0.321CS..Hα-helixtrans-66.3-37.4170.2-174.265000111.7Y189 C193 W196 N263 I264 R265 Q270 V271Y189-L267 HydrophobicContact CD1-CD1 4.1Å; C193-L267 VanDerWaalsContact SG-CD2 3.56Å; W196-L267 HydrophobicContact CE3-CD2 3.88Å; W196-L267 HydrophobicContact CZ3-CD2 4.04Å; N263-L267 PolarHBondContact O-N 3.03Å; I264-L267 PolarHBondContact O-N 3.05Å; R265-L267 PolarHBondContact O-N 3.45Å; L267-Q270 PolarHBondContact O-N 3.43Å; L267-V271 WeakPolarHBondContact O-CG2 3.4Å; L267-V271 PolarHBondContact O-N 3.15Å
268C93.3Very high91.7Very high0 Ų065.9 Ų65.90%032%0.318CS..Hα-helixtrans-65.9-38.6174.2-64.50000112.2C215 R219 I264 R265 V271 I272C215-C268 HydrophobicContact CB-CB 4.21Å; R219-C268 HydrophobicContact CB-CB 4.43Å; I264-C268 PolarHBondContact O-N 2.9Å; I264-C268 PolarHBondContact O-SG 3.47Å; R265-C268 WeakPolarHBondContact O-CA 3.19Å; R265-C268 WeakPolarHBondContact O-CB 3.21Å; R265-C268 PolarHBondContact O-N 3.27Å; R265-C268 VanDerWaalsContact O-N 3.12Å; C268-V271 PolarHBondContact O-N 3.04Å; C268-I272 WeakPolarHBondContact O-CD1 3.38Å; C268-I272 VanDerWaalsContact O-CG1 3.28Å; C268-I272 WeakPolarHBondContact O-CG1 3.34Å; C268-I272 PolarHBondContact O-N 2.98Å; C268-I272 VanDerWaalsContact O-N 3.07Å
269D93.8Very high92Very high49 Ų4960.3 Ų60.326%0.26230%0.301SS..Hα-helixtrans-57.6-49.5172-72.7-44.4000111R219 R265 H266 V271 I272 E273R219-D269 IonicContact CZ-OD1 3.08Å; R219-D269 IonicContact NE-OD1 2.68Å; R219-D269 PolarHBondContact NE-OD1 3.38Å; R219-D269 IonicContact NH2-OD1 2.71Å; R219-D269 PolarHBondContact NH2-OD1 3.3Å; R265-D269 PolarHBondContact O-N 3.27Å; H266-D269 IonicContact ND1-OD2 3.98Å; H266-D269 WeakPolarHBondContact O-CB 3.42Å; H266-D269 PolarHBondContact O-N 2.83Å; D269-V271 PolarHBondContact O-N 3.41Å; D269-I272 PolarHBondContact O-N 3.44Å; D269-I272 VanDerWaalsContact O-N 3.16Å; D269-E273 PolarHBondContact O-N 2.85Å
270Q92.9Very high92Very high81 Ų8158.7 Ų58.738%0.37929%0.293SS..Hα-helixtrans-60.4-41.3178.6-70.9172.42.500112.4H266 L267 I272 E273 I274H266-Q270 WeakPolarHBondContact O-CG 3.39Å; H266-Q270 PolarHBondContact O-N 2.83Å; H266-Q270 VanDerWaalsContact O-N 3.11Å; L267-Q270 PolarHBondContact O-N 3.43Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 2.96Å; Q270-E273 PolarHBondContact O-N 2.95Å; Q270-I274 WeakPolarHBondContact O-CB 3.49Å; Q270-I274 WeakPolarHBondContact O-CD1 3.29Å; Q270-I274 WeakPolarHBondContact O-CG1 3.22Å; Q270-I274 PolarHBondContact O-N 3.2Å
271V94.3Very high91.9Very high5 Ų556.8 Ų56.83%0.0328%0.283CS..Hα-helixtrans-63.9-38.2175.9169.20000112N190 C215 L267 C268 D269 S275N190-V271 WeakPolarHBondContact OD1-CG1 3.2Å; C215-V271 HydrophobicContact CB-CG1 4.31Å; L267-V271 WeakPolarHBondContact O-CG2 3.4Å; L267-V271 PolarHBondContact O-N 3.15Å; C268-V271 PolarHBondContact O-N 3.04Å; D269-V271 PolarHBondContact O-N 3.41Å; V271-S275 WeakPolarHBondContact O-CB 3.34Å; V271-S275 PolarHBondContact O-N 3.27Å
272I93.6Very high91.8Very high14 Ų1460.3 Ų60.37%0.07230%0.297CS..Hα-helixtrans-66.8-47.9176.2-67.8162.5000110.1K216 C268 D269 Q270 I274 S275 E276K216-I272 HydrophobicContact CG-CD1 3.76Å; K216-I272 HydrophobicContact CG-CG1 4.18Å; C268-I272 WeakPolarHBondContact O-CD1 3.38Å; C268-I272 VanDerWaalsContact O-CG1 3.28Å; C268-I272 WeakPolarHBondContact O-CG1 3.34Å; C268-I272 PolarHBondContact O-N 2.98Å; C268-I272 VanDerWaalsContact O-N 3.07Å; D269-I272 PolarHBondContact O-N 3.44Å; D269-I272 VanDerWaalsContact O-N 3.16Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 2.96Å; I272-I274 PolarHBondContact O-N 2.94Å; I272-S275 PolarHBondContact O-N 3.28Å; I272-S275 VanDerWaalsContact O-N 3.13Å; I272-E276 PolarHBondContact O-N 3.16Å
273E94.3Very high91.8Very high136 Ų13662.5 Ų62.564%0.63630%0.3SS*.Hα-helixtrans-58.5-46.7177.2-176.2178.1-16800111.9D269 Q270 S275 E276 Y277D269-E273 PolarHBondContact O-N 2.85Å; Q270-E273 PolarHBondContact O-N 2.95Å; E273-S275 VanDerWaalsContact C-N 3.29Å; E273-S275 PolarHBondContact O-N 2.94Å; E273-E276 PolarHBondContact O-N 3.09Å; E273-Y277 WeakPolarHBondContact O-CB 3.48Å; E273-Y277 PolarHBondContact O-N 3.42Å
274I91.6Very high91.6Very high38 Ų3862.2 Ų62.220%0.19529%0.293CS..Hα-helixtrans-59.9-40175.8-71.1166.4000111L182 L186 Y189 Q270 I272 R278L182-I274 HydrophobicContact CD2-CG2 4.22Å; L186-I274 HydrophobicContact CB-CG2 4.3Å; L186-I274 HydrophobicContact CD1-CG2 4.2Å; Y189-I274 HydrophobicContact CD2-CD1 4.21Å; Y189-I274 HydrophobicContact CE2-CD1 4.12Å; Q270-I274 WeakPolarHBondContact O-CB 3.49Å; Q270-I274 WeakPolarHBondContact O-CD1 3.29Å; Q270-I274 WeakPolarHBondContact O-CG1 3.22Å; Q270-I274 PolarHBondContact O-N 3.2Å; I272-I274 PolarHBondContact O-N 2.94Å; I274-R278 VanDerWaalsContact O-CB 3.28Å; I274-R278 WeakPolarHBondContact O-CB 3.25Å; I274-R278 PolarHBondContact O-N 3.45Å
275S92.8Very high91.3Very high27 Ų2762.5 Ų62.519%0.18930%0.295CS..Hα-helixtrans-69.9-34.5177.9-168.50000113.2L212 V271 I272 E273 A279L212-S275 WeakPolarHBondContact CD1-OG 3.27Å; V271-S275 WeakPolarHBondContact O-CB 3.34Å; V271-S275 PolarHBondContact O-N 3.27Å; I272-S275 PolarHBondContact O-N 3.28Å; I272-S275 VanDerWaalsContact O-N 3.13Å; E273-S275 VanDerWaalsContact C-N 3.29Å; E273-S275 PolarHBondContact O-N 2.94Å; S275-A279 PolarHBondContact O-N 3.13Å
276E92.7Very high91.1Very high108 Ų10862.3 Ų62.351%0.50530%0.296SS..Hα-helixtrans-72.1-43.3174.8-72-179.3-16800111.1I272 E273 R278 A279 Q280I272-E276 PolarHBondContact O-N 3.16Å; E273-E276 PolarHBondContact O-N 3.09Å; E276-R278 VanDerWaalsContact C-N 3.32Å; E276-R278 PolarHBondContact O-N 2.94Å; E276-A279 WeakPolarHBondContact O-CB 3.32Å; E276-A279 PolarHBondContact O-N 3.08Å; E276-A279 VanDerWaalsContact O-N 3.1Å; E276-Q280 WeakPolarHBondContact O-CG 2.9Å; E276-Q280 PolarHBondContact O-N 3.1Å
277Y90.3Very high91Very high111 Ų11162.2 Ų62.244%0.43530%0.299SS..Hα-helixtrans-59.6-41.2173.2179.3-120.5000112.1L182 E273 A279 Q280 L281L182-Y277 HydrophobicContact CD1-CD1 4.09Å; L182-Y277 HydrophobicContact CD1-CE1 4.07Å; E273-Y277 WeakPolarHBondContact O-CB 3.48Å; E273-Y277 PolarHBondContact O-N 3.42Å; Y277-A279 VanDerWaalsContact C-N 3.32Å; Y277-A279 PolarHBondContact O-N 3.25Å; Y277-Q280 PolarHBondContact O-N 2.9Å; Y277-L281 HydrophobicContact CD1-CD1 3.99Å; Y277-L281 HydrophobicContact CD2-CG 4.41Å; Y277-L281 HydrophobicContact CE1-CD1 3.49Å; Y277-L281 VanDerWaalsContact CE1-CD1 3.49Å; Y277-L281 HydrophobicContact CE1-CG 4.12Å; Y277-L281 HydrophobicContact CE2-CD1 4.3Å; Y277-L281 HydrophobicContact CE2-CD2 4.24Å; Y277-L281 HydrophobicContact CE2-CG 4.01Å; Y277-L281 WeakPolarHBondContact O-CB 3.41Å; Y277-L281 WeakPolarHBondContact O-CG 3.24Å; Y277-L281 PolarHBondContact O-N 3.03Å
278R89.3Confident90.7Very high72 Ų7264.4 Ų64.427%0.27231%0.306SS..Hα-helixtrans-57.9-41.4172.4-178.5-166.3-178.5-81.1-0.9112.4D183 I274 E276 Y282D183-R278 VanDerWaalsContact CG-NH2 3.26Å; D183-R278 IonicContact OD1-CZ 3.68Å; D183-R278 IonicContact OD1-NE 2.59Å; D183-R278 PolarHBondContact OD1-NE 3.08Å; D183-R278 IonicContact OD1-NH2 3.48Å; D183-R278 PolarHBondContact OD1-NH2 3.33Å; D183-R278 IonicContact OD2-CZ 2.76Å; D183-R278 IonicContact OD2-NE 2.66Å; D183-R278 IonicContact OD2-NH2 3.96Å; D183-R278 PolarHBondContact OD2-NH2 2.95Å; I274-R278 VanDerWaalsContact O-CB 3.28Å; I274-R278 WeakPolarHBondContact O-CB 3.25Å; I274-R278 PolarHBondContact O-N 3.45Å; E276-R278 VanDerWaalsContact C-N 3.32Å; E276-R278 PolarHBondContact O-N 2.94Å; R278-Y282 PolarHBondContact O-N 3.35Å
279A91.1Very high90.4Very high52 Ų5264.4 Ų64.443%0.4331%0.306SS..Hα-helixtrans-67.1-43.4176.500000111.6S275 E276 Y277 L281 Y282 D283S275-A279 PolarHBondContact O-N 3.13Å; E276-A279 WeakPolarHBondContact O-CB 3.32Å; E276-A279 PolarHBondContact O-N 3.08Å; E276-A279 VanDerWaalsContact O-N 3.1Å; Y277-A279 VanDerWaalsContact C-N 3.32Å; Y277-A279 PolarHBondContact O-N 3.25Å; A279-L281 PolarHBondContact O-N 3.16Å; A279-Y282 WeakPolarHBondContact O-CB 3.07Å; A279-Y282 PolarHBondContact O-N 3.04Å; A279-Y282 VanDerWaalsContact O-N 3.16Å; A279-D283 PolarHBondContact O-N 3.26Å
280Q90.6Very high90.1Very high126 Ų12666.1 Ų66.159%0.58931%0.314SS*.Hα-helixtrans-60.9-42.1175-65171.529.600112.1E276 Y277 Y282 D283 Y284E276-Q280 WeakPolarHBondContact O-CG 2.9Å; E276-Q280 PolarHBondContact O-N 3.1Å; Y277-Q280 PolarHBondContact O-N 2.9Å; Q280-Y282 VanDerWaalsContact C-N 3.34Å; Q280-Y282 PolarHBondContact O-N 3.42Å; Q280-D283 PolarHBondContact O-N 3.25Å; Q280-Y284 WeakPolarHBondContact O-CB 3.45Å; Q280-Y284 PolarHBondContact O-N 2.87Å
281L86.5Confident89.8Confident26 Ų2665.6 Ų65.614%0.13632%0.323CS..Hα-helixtrans-63.3-37.6173.9-77.8179.3000112.6L178 L182 Y277 A279 L285L178-L281 HydrophobicContact CD2-CD1 3.96Å; L178-L281 HydrophobicContact CG-CD1 4.31Å; L182-L281 HydrophobicContact CD1-CD1 3.58Å; Y277-L281 HydrophobicContact CD1-CD1 3.99Å; Y277-L281 HydrophobicContact CD2-CG 4.41Å; Y277-L281 HydrophobicContact CE1-CD1 3.49Å; Y277-L281 VanDerWaalsContact CE1-CD1 3.49Å; Y277-L281 HydrophobicContact CE1-CG 4.12Å; Y277-L281 HydrophobicContact CE2-CD1 4.3Å; Y277-L281 HydrophobicContact CE2-CD2 4.24Å; Y277-L281 HydrophobicContact CE2-CG 4.01Å; Y277-L281 WeakPolarHBondContact O-CB 3.41Å; Y277-L281 WeakPolarHBondContact O-CG 3.24Å; Y277-L281 PolarHBondContact O-N 3.03Å; A279-L281 PolarHBondContact O-N 3.16Å; L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.25Å; L281-L285 PolarHBondContact O-N 3.28Å
282Y88.3Confident89.4Confident77 Ų7766.8 Ų66.830%0.30233%0.329SS..Hα-helixtrans-64-48.3176.4178.6-91.2000111.8L179 R278 A279 Q280 L285 K286 L303L179-Y282 HydrophobicContact CD1-CD2 4.39Å; R278-Y282 PolarHBondContact O-N 3.35Å; A279-Y282 WeakPolarHBondContact O-CB 3.07Å; A279-Y282 PolarHBondContact O-N 3.04Å; A279-Y282 VanDerWaalsContact O-N 3.16Å; Q280-Y282 VanDerWaalsContact C-N 3.34Å; Q280-Y282 PolarHBondContact O-N 3.42Å; Y282-L285 PolarHBondContact O-N 3.5Å; Y282-K286 HydrophobicContact CE1-CD 4.44Å; Y282-K286 WeakPolarHBondContact O-CB 3.45Å; Y282-K286 PolarHBondContact O-N 3.41Å; Y282-L303 HydrophobicContact CD2-CD2 4.02Å; Y282-L303 HydrophobicContact CD2-CG 4.45Å; Y282-L303 HydrophobicContact CE2-CD1 3.93Å; Y282-L303 HydrophobicContact CE2-CD2 3.89Å; Y282-L303 HydrophobicContact CE2-CG 3.82Å
283D90.4Very high89.2Confident80 Ų8066.1 Ų66.143%0.42833%0.325SS..Hα-helixtrans-69.4-33.8177.6-82.4-31000112.4A279 Q280 K286 N287A279-D283 PolarHBondContact O-N 3.26Å; Q280-D283 PolarHBondContact O-N 3.25Å; D283-K286 PolarHBondContact O-N 3.43Å; D283-N287 WeakPolarHBondContact O-CB 3.39Å; D283-N287 PolarHBondContact O-N 3.01Å; D283-N287 PolarHBondContact O-ND2 3.49Å
284Y87.1Confident89.1Confident81 Ų8159.9 Ų59.932%0.31830%0.297SS..Hα-helixtrans-59-49.1169174.8-100.9000111.4A166 Q280 K286 N287 R288A166-Y284 HydrophobicContact CB-CD1 4.45Å; A166-Y284 HydrophobicContact CB-CE1 4.03Å; Q280-Y284 WeakPolarHBondContact O-CB 3.45Å; Q280-Y284 PolarHBondContact O-N 2.87Å; Y284-K286 PolarHBondContact O-N 2.96Å; Y284-N287 PolarHBondContact O-N 3.22Å; Y284-R288 WeakPolarHBondContact O-CB 3.45Å; Y284-R288 PolarHBondContact O-N 3.07Å; Y284-R288 PolarHBondContact OH-NE 2.82Å; Y284-R288 VanDerWaalsContact OH-NE 3.12Å; Y284-R288 PolarHBondContact OH-NH2 2.85Å; Y284-R288 VanDerWaalsContact OH-NH2 3.16Å
285L86.4Confident89.1Confident10 Ų1058.1 Ų58.15%0.05229%0.288CS..Hα-helixtrans-62.1-41.8178.8178.361.3000111.8I167 L281 Y282 R288 M289 L303 A306I167-L285 HydrophobicContact CD1-CD1 4.17Å; I167-L285 HydrophobicContact CG1-CD1 4.08Å; L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.25Å; L281-L285 PolarHBondContact O-N 3.28Å; Y282-L285 PolarHBondContact O-N 3.5Å; L285-R288 PolarHBondContact O-N 2.94Å; L285-M289 HydrophobicContact CD1-CE 4.1Å; L285-M289 VanDerWaalsContact O-CB 3.26Å; L285-M289 WeakPolarHBondContact O-CB 3.37Å; L285-M289 PolarHBondContact O-N 3.05Å; L285-L303 HydrophobicContact CD2-CD2 4.18Å; L285-A306 HydrophobicContact CD1-CB 4.19Å; L285-A306 HydrophobicContact CD2-CB 4.02Å; L285-A306 HydrophobicContact CG-CB 4.48Å
286K88.3Confident89.1Confident78 Ų7856.8 Ų56.834%0.33928%0.279SS..Hα-helixtrans-60.1-53.1176.5173.3176.5-172.2-171.60112.3Y282 D283 Y284 R288 M289 M290 E302Y282-K286 HydrophobicContact CE1-CD 4.44Å; Y282-K286 WeakPolarHBondContact O-CB 3.45Å; Y282-K286 PolarHBondContact O-N 3.41Å; D283-K286 PolarHBondContact O-N 3.43Å; Y284-K286 PolarHBondContact O-N 2.96Å; K286-R288 VanDerWaalsContact C-N 3.31Å; K286-R288 PolarHBondContact O-N 2.8Å; K286-M289 PolarHBondContact O-N 3.02Å; K286-M290 PolarHBondContact O-N 2.99Å; K286-E302 HydrophobicContact CB-CG 4.19Å; K286-E302 HydrophobicContact CG-CG 4Å
287N89.9Confident89.1Confident112 Ų11252 Ų5260%0.59926%0.257SS*.Hα-helixtrans-62.3-40.3177.9-72.4-49.9000111.6D283 Y284 A291D283-N287 WeakPolarHBondContact O-CB 3.39Å; D283-N287 PolarHBondContact O-N 3.01Å; D283-N287 PolarHBondContact O-ND2 3.49Å; Y284-N287 PolarHBondContact O-N 3.22Å; N287-A291 PolarHBondContact O-N 3.1Å
288R86.4Confident89.2Confident70 Ų7048.6 Ų48.626%0.26425%0.247SC..Hα-helixtrans-65.6-42.6177.1-177.261.364.7-165.55.2112.2I163 Y284 L285 K286 A291 I292I163-R288 HydrophobicContact CD1-CG 4.16Å; I163-R288 HydrophobicContact CG1-CG 3.6Å; Y284-R288 WeakPolarHBondContact O-CB 3.45Å; Y284-R288 PolarHBondContact O-N 3.07Å; Y284-R288 PolarHBondContact OH-NE 2.82Å; Y284-R288 VanDerWaalsContact OH-NE 3.12Å; Y284-R288 PolarHBondContact OH-NH2 2.85Å; Y284-R288 VanDerWaalsContact OH-NH2 3.16Å; L285-R288 PolarHBondContact O-N 2.94Å; K286-R288 VanDerWaalsContact C-N 3.31Å; K286-R288 PolarHBondContact O-N 2.8Å; R288-A291 PolarHBondContact O-N 3.41Å; R288-I292 VanDerWaalsContact CD-CD1 3.43Å; R288-I292 HydrophobicContact CG-CD1 3.87Å; R288-I292 WeakPolarHBondContact O-CD1 3.47Å; R288-I292 WeakPolarHBondContact O-CG1 3.5Å; R288-I292 PolarHBondContact O-N 3.03Å
289M86.8Confident89.4Confident0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-67.7-43.9179.9-165.964.856.900111.8I163 L285 K286 A291 I292 A293 T297 A306 I309I163-M289 HydrophobicContact CD1-CE 3.71Å; I163-M289 HydrophobicContact CD1-SD 3.94Å; I163-M289 HydrophobicContact CG1-CE 4.33Å; I163-M289 HydrophobicContact CG2-CE 3.98Å; L285-M289 HydrophobicContact CD1-CE 4.1Å; L285-M289 VanDerWaalsContact O-CB 3.26Å; L285-M289 WeakPolarHBondContact O-CB 3.37Å; L285-M289 PolarHBondContact O-N 3.05Å; K286-M289 PolarHBondContact O-N 3.02Å; M289-A291 PolarHBondContact O-N 3.25Å; M289-I292 PolarHBondContact O-N 3.23Å; M289-I292 VanDerWaalsContact O-N 3.11Å; M289-A293 CarbonylContact O-C 3.35Å; M289-A293 PolarHBondContact O-N 3.41Å; M289-A293 HydrophobicContact SD-CB 4.32Å; M289-T297 VanDerWaalsContact CG-OG1 3.26Å; M289-T297 WeakPolarHBondContact CG-OG1 3.3Å; M289-A306 VanDerWaalsContact CE-CA 3.49Å; M289-A306 HydrophobicContact CE-CB 3.76Å; M289-I309 HydrophobicContact CE-CD1 4.11Å; M289-I309 HydrophobicContact SD-CD1 3.64Å
290M88.6Confident89.4Confident85 Ų8543 Ų4342%0.41922%0.216SC..Hα-helixtrans-60-31175.3-78.9-63.5-60.200113.1K286 T297K286-M290 PolarHBondContact O-N 2.99Å; M290-T297 HydrophobicContact CG-CG2 4.22Å; M290-T297 HydrophobicContact SD-CG2 3.5Å; M290-T297 WeakPolarHBondContact SD-CG2 3.32Å
291A86.8Confident89.4Confident69 Ų6937.9 Ų37.957%0.5720%0.197SC*.THydrogen-bonded Turntrans-81-9.317800000114.7N287 R288 M289N287-A291 PolarHBondContact O-N 3.1Å; R288-A291 PolarHBondContact O-N 3.41Å; M289-A291 PolarHBondContact O-N 3.25Å
292I85.7Confident89.6Confident30 Ų3038.9 Ų38.915%0.15420%0.201CC..THydrogen-bonded Turntrans-122.5-45.2-172.4-68.7163.5000112V159 I163 R288 M289 L315V159-I292 HydrophobicContact CG1-CD1 3.4Å; V159-I292 HydrophobicContact CG1-CG1 3.87Å; I163-I292 HydrophobicContact CD1-CB 4.1Å; I163-I292 HydrophobicContact CD1-CD1 3.45Å; I163-I292 VanDerWaalsContact CD1-CD1 3.45Å; I163-I292 HydrophobicContact CD1-CG1 4.38Å; I163-I292 HydrophobicContact CD1-CG2 4.09Å; I163-I292 HydrophobicContact CG1-CD1 3.95Å; R288-I292 VanDerWaalsContact CD-CD1 3.43Å; R288-I292 HydrophobicContact CG-CD1 3.87Å; R288-I292 WeakPolarHBondContact O-CD1 3.47Å; R288-I292 WeakPolarHBondContact O-CG1 3.5Å; R288-I292 PolarHBondContact O-N 3.03Å; M289-I292 PolarHBondContact O-N 3.23Å; M289-I292 VanDerWaalsContact O-N 3.11Å; I292-L315 HydrophobicContact CG2-CD2 4.15Å
293A89.3Confident89.6Confident0 Ų037.8 Ų37.80%020%0.2CC..  trans-134.766.4-178.300000110.9M289 N295 L296 T297 L315 D383M289-A293 CarbonylContact O-C 3.35Å; M289-A293 PolarHBondContact O-N 3.41Å; M289-A293 HydrophobicContact SD-CB 4.32Å; A293-N295 PolarHBondContact O-N 2.92Å; A293-L296 HydrophobicContact CB-CB 3.87Å; A293-L296 HydrophobicContact CB-CD2 3.99Å; A293-L296 HydrophobicContact CB-CG 4.48Å; A293-L296 PolarHBondContact O-N 2.86Å; A293-T297 WeakPolarHBondContact O-CB 3.27Å; A293-T297 PolarHBondContact O-N 2.9Å; A293-T297 PolarHBondContact O-OG1 3.49Å; A293-L315 HydrophobicContact CB-CD1 4.08Å; A293-L315 HydrophobicContact CB-CD2 4.31Å; A293-D383 HydrophobicContact CB-CB 4.15Å
294P91.3Very high89.6Confident6 Ų634.4 Ų34.44%0.03918%0.182CC..Hα-helixtrans-63.2-38.6-176.123.3-32.1000112.5T297 V298 D383 T389 A391P294-T297 PolarHBondContact O-N 3.28Å; P294-V298 WeakPolarHBondContact O-CG2 3.34Å; P294-V298 PolarHBondContact O-N 3.39Å; P294-D383 WeakPolarHBondContact CD-OD1 3.36Å; P294-T389 WeakPolarHBondContact CG-O 3.38Å; P294-A391 HydrophobicContact CB-CB 4.04Å
295N92.5Very high89.7Confident0 Ų030.6 Ų30.60%017%0.167CC..Hα-helixtrans-72.2-40.7-178.8-62.1-84.1000111.3A293 T297 V298 M299 A379 D383 N390 A391 M393 G394A293-N295 PolarHBondContact O-N 2.92Å; N295-T297 VanDerWaalsContact C-N 3.3Å; N295-T297 PolarHBondContact O-N 2.61Å; N295-V298 PolarHBondContact O-N 3.44Å; N295-M299 WeakPolarHBondContact O-CB 3.21Å; N295-M299 WeakPolarHBondContact O-CG 3.24Å; N295-M299 PolarHBondContact O-N 3.44Å; N295-A379 HydrophobicContact CB-CB 3.88Å; N295-D383 VanDerWaalsContact CB-OD1 3.28Å; N295-D383 WeakPolarHBondContact CB-OD1 3.2Å; N295-D383 PolarHBondContact N-OD1 2.91Å; N295-D383 VanDerWaalsContact N-OD1 3.12Å; N295-D383 PolarHBondContact N-OD2 3.28Å; N295-D383 PolarHBondContact ND2-OD1 3.12Å; N295-N390 PolarHBondContact ND2-O 3.29Å; N295-N390 PolarHBondContact OD1-O 3.01Å; N295-A391 VanDerWaalsContact OD1-C 3.25Å; N295-A391 WeakPolarHBondContact OD1-CA 3.4Å; N295-A391 PolarHBondContact OD1-O 2.86Å; N295-M393 PolarHBondContact OD1-N 2.93Å; N295-G394 PolarHBondContact OD1-N 2.83Å
296L91.9Very high89.8Confident0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-56.3-44.4169.8172.959.8000111.6A293 M299 V300 L308 I309 L315 T376 I380 D383A293-L296 HydrophobicContact CB-CB 3.87Å; A293-L296 HydrophobicContact CB-CD2 3.99Å; A293-L296 HydrophobicContact CB-CG 4.48Å; A293-L296 PolarHBondContact O-N 2.86Å; L296-M299 PolarHBondContact O-N 3.26Å; L296-V300 HydrophobicContact CD1-CB 4.49Å; L296-V300 HydrophobicContact CD1-CG2 3.82Å; L296-V300 PolarHBondContact O-N 3.16Å; L296-L308 HydrophobicContact CD1-CD1 4.43Å; L296-I309 HydrophobicContact CD2-CD1 3.88Å; L296-I309 HydrophobicContact CD2-CG1 4.09Å; L296-L315 HydrophobicContact CD2-CD1 4.33Å; L296-T376 HydrophobicContact CD1-CG2 3.84Å; L296-I380 HydrophobicContact CB-CG1 4.35Å; L296-I380 HydrophobicContact CD1-CD1 4.06Å; L296-I380 HydrophobicContact CD1-CG1 3.81Å; L296-I380 HydrophobicContact CD2-CG1 4.2Å; L296-I380 HydrophobicContact CG-CG1 4.34Å; L296-D383 WeakPolarHBondContact CB-OD2 3.38Å; L296-D383 PolarHBondContact N-OD2 2.65Å
297T93Very high89.8Confident8 Ų829.7 Ų29.75%0.04916%0.161CC..Hα-helixtrans-60.7-52.4179.7-56.20000111.3M289 M290 A293 P294 N295 M299 V300 G301 E302M289-T297 VanDerWaalsContact CG-OG1 3.26Å; M289-T297 WeakPolarHBondContact CG-OG1 3.3Å; M290-T297 HydrophobicContact CG-CG2 4.22Å; M290-T297 HydrophobicContact SD-CG2 3.5Å; M290-T297 WeakPolarHBondContact SD-CG2 3.32Å; A293-T297 WeakPolarHBondContact O-CB 3.27Å; A293-T297 PolarHBondContact O-N 2.9Å; A293-T297 PolarHBondContact O-OG1 3.49Å; P294-T297 PolarHBondContact O-N 3.28Å; N295-T297 VanDerWaalsContact C-N 3.3Å; N295-T297 PolarHBondContact O-N 2.61Å; T297-M299 VanDerWaalsContact C-N 3.26Å; T297-M299 PolarHBondContact O-N 2.9Å; T297-V300 PolarHBondContact O-N 2.71Å; T297-G301 WeakPolarHBondContact O-CA 3.49Å; T297-G301 PolarHBondContact O-N 3.12Å; T297-E302 HydrophobicContact CG2-CG 3.75Å
298V93.5Very high89.8Confident39 Ų3924.3 Ų24.324%0.23613%0.133CC..Hα-helixtrans-59.4-37.3177.4173.90000111.8P294 N295 A391 A395 R398P294-V298 WeakPolarHBondContact O-CG2 3.34Å; P294-V298 PolarHBondContact O-N 3.39Å; N295-V298 PolarHBondContact O-N 3.44Å; V298-A391 HydrophobicContact CG2-CB 4.39Å; V298-A395 HydrophobicContact CG1-CB 4.37Å; V298-R398 HydrophobicContact CG1-CB 4.41Å; V298-R398 WeakPolarHBondContact O-CD 3.46Å; V298-R398 PolarHBondContact O-NH1 2.82Å
299M92.5Very high90Very high2 Ų221 Ų211%0.0112%0.12CC..Hα-helixtrans-72.1-39.8-178.1-74-65.6-53.500114.3N295 L296 T297 L372 K375 A379 G394 N397 R398 L401N295-M299 WeakPolarHBondContact O-CB 3.21Å; N295-M299 WeakPolarHBondContact O-CG 3.24Å; N295-M299 PolarHBondContact O-N 3.44Å; L296-M299 PolarHBondContact O-N 3.26Å; T297-M299 VanDerWaalsContact C-N 3.26Å; T297-M299 PolarHBondContact O-N 2.9Å; M299-L372 HydrophobicContact CE-CD1 3.66Å; M299-L372 WeakPolarHBondContact O-CD1 3.21Å; M299-K375 HydrophobicContact CE-CB 3.45Å; M299-K375 VanDerWaalsContact CE-CB 3.45Å; M299-A379 HydrophobicContact CG-CB 4Å; M299-G394 VanDerWaalsContact SD-O 3.35Å; M299-N397 HydrophobicContact CE-CB 4.43Å; M299-N397 HydrophobicContact SD-CB 3.77Å; M299-R398 HydrophobicContact SD-CB 4.14Å; M299-L401 HydrophobicContact CE-CD1 3.52Å
300V91.5Very high90Very high4 Ų421.4 Ų21.42%0.02412%0.123CC..Hα-helixtrans-126.8-22-165.7-155.20000114.1L296 T297 V304 A354 T376L296-V300 HydrophobicContact CD1-CB 4.49Å; L296-V300 HydrophobicContact CD1-CG2 3.82Å; L296-V300 PolarHBondContact O-N 3.16Å; T297-V300 PolarHBondContact O-N 2.71Å; V300-V304 HydrophobicContact CB-CB 4.49Å; V300-V304 HydrophobicContact CG1-CB 3.74Å; V300-V304 HydrophobicContact CG1-CG1 3.47Å; V300-V304 VanDerWaalsContact CG1-CG1 3.47Å; V300-A354 HydrophobicContact CG1-CB 3.58Å; V300-T376 HydrophobicContact CG2-CG2 3.61Å; V300-T376 VanDerWaalsContact CG2-OG1 3.28Å; V300-T376 WeakPolarHBondContact CG2-OG1 3.39Å
301G91.4Very high89.9Confident19 Ų1920.2 Ų20.220%0.19612%0.116CC..  trans93.6150.5-171.600000113T297 L303 V304 G305T297-G301 WeakPolarHBondContact O-CA 3.49Å; T297-G301 PolarHBondContact O-N 3.12Å; G301-L303 PolarHBondContact O-N 2.72Å; G301-V304 PolarHBondContact O-N 3.25Å; G301-G305 PolarHBondContact O-N 3.35Å
302E89.9Confident89.9Confident46 Ų4617.6 Ų17.622%0.21510%0.095CC..Hα-helixtrans-52.8-55.7-171.1-62.186.615400112.4K286 T297 V304 G305 A306K286-E302 HydrophobicContact CB-CG 4.19Å; K286-E302 HydrophobicContact CG-CG 4Å; T297-E302 HydrophobicContact CG2-CG 3.75Å; E302-V304 VanDerWaalsContact C-N 3.28Å; E302-V304 PolarHBondContact O-N 2.93Å; E302-G305 PolarHBondContact O-N 3.45Å; E302-A306 WeakPolarHBondContact O-CB 3.38Å; E302-A306 PolarHBondContact O-N 3.48Å
303L87.9Confident89.9Confident54 Ų5418 Ų1828%0.28311%0.107SC..Hα-helixtrans-63.1-30.6-178.1-70.2177.9000113.6L179 Y282 L285 G301 R307L179-L303 HydrophobicContact CD1-CD2 4.5Å; Y282-L303 HydrophobicContact CD2-CD2 4.02Å; Y282-L303 HydrophobicContact CD2-CG 4.45Å; Y282-L303 HydrophobicContact CE2-CD1 3.93Å; Y282-L303 HydrophobicContact CE2-CD2 3.89Å; Y282-L303 HydrophobicContact CE2-CG 3.82Å; L285-L303 HydrophobicContact CD2-CD2 4.18Å; G301-L303 PolarHBondContact O-N 2.72Å; L303-R307 WeakPolarHBondContact O-CG 3.42Å; L303-R307 PolarHBondContact O-N 2.65Å; L303-R307 VanDerWaalsContact O-N 3.15Å
304V90.1Very high89.7Confident10 Ų1018.8 Ų18.86%0.06111%0.112CC..Hα-helixtrans-85.8-38.3-178.5-170.10000110V300 G301 E302 A306 R307 L308 H353V300-V304 HydrophobicContact CB-CB 4.49Å; V300-V304 HydrophobicContact CG1-CB 3.74Å; V300-V304 HydrophobicContact CG1-CG1 3.47Å; V300-V304 VanDerWaalsContact CG1-CG1 3.47Å; G301-V304 PolarHBondContact O-N 3.25Å; E302-V304 VanDerWaalsContact C-N 3.28Å; E302-V304 PolarHBondContact O-N 2.93Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-R307 PolarHBondContact O-N 2.73Å; V304-L308 HydrophobicContact CG1-CD1 4.36Å; V304-L308 WeakPolarHBondContact O-CB 3.47Å; V304-L308 WeakPolarHBondContact O-CG 3.37Å; V304-L308 PolarHBondContact O-N 2.93Å; V304-H353 HydrophobicContact CG2-CB 4.2Å
305G90.3Very high89.6Confident0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-57.4-46.516800000111.9G301 E302 L308 I309G301-G305 PolarHBondContact O-N 3.35Å; E302-G305 PolarHBondContact O-N 3.45Å; G305-L308 PolarHBondContact O-N 2.97Å; G305-I309 WeakPolarHBondContact O-CG1 3.35Å; G305-I309 PolarHBondContact O-N 3.02Å
306A88.6Confident89.4Confident2 Ų221.6 Ų21.62%0.01713%0.126CC..Hα-helixtrans-50.4-61171.400000112.6I167 L285 M289 E302 V304 L308 I309 S310I167-A306 HydrophobicContact CD1-CB 3.44Å; I167-A306 VanDerWaalsContact CD1-CB 3.44Å; I167-A306 WeakPolarHBondContact CD1-O 3.26Å; I167-A306 HydrophobicContact CG1-CB 4.13Å; L285-A306 HydrophobicContact CD1-CB 4.19Å; L285-A306 HydrophobicContact CD2-CB 4.02Å; L285-A306 HydrophobicContact CG-CB 4.48Å; M289-A306 VanDerWaalsContact CE-CA 3.49Å; M289-A306 HydrophobicContact CE-CB 3.76Å; E302-A306 WeakPolarHBondContact O-CB 3.38Å; E302-A306 PolarHBondContact O-N 3.48Å; V304-A306 VanDerWaalsContact C-N 3.34Å; A306-L308 VanDerWaalsContact C-N 3.26Å; A306-L308 PolarHBondContact O-N 2.97Å; A306-I309 PolarHBondContact O-N 3.13Å; A306-S310 PolarHBondContact O-N 3.46Å
307R88.4Confident89.4Confident67 Ų6724.8 Ų24.825%0.25314%0.143SC..Hα-helixtrans-61.5-32.2-179-70.9177.2-179.1140.2-2.4112.8D180 L303 V304 H311 L350D180-R307 IonicContact OD1-CZ 2.64Å; D180-R307 IonicContact OD1-NE 3.56Å; D180-R307 IonicContact OD1-NH2 2.7Å; D180-R307 PolarHBondContact OD1-NH2 3.28Å; D180-R307 IonicContact OD2-NE 3.69Å; D180-R307 IonicContact OD2-NH2 2.68Å; L303-R307 WeakPolarHBondContact O-CG 3.42Å; L303-R307 PolarHBondContact O-N 2.65Å; L303-R307 VanDerWaalsContact O-N 3.15Å; V304-R307 PolarHBondContact O-N 2.73Å; R307-H311 WeakPolarHBondContact O-CB 3.49Å; R307-H311 PolarHBondContact O-N 2.91Å; R307-H311 VanDerWaalsContact O-N 3.12Å; R307-L350 HydrophobicContact CB-CD1 4.25Å; R307-L350 HydrophobicContact CB-CD2 4.32Å
308L90.2Very high89.3Confident0 Ų024.5 Ų24.50%014%0.141CC..Hα-helixtrans-67.1-46.9173.9-72.6170000112.5L296 V304 G305 A306 H311 A312 L318 L329 L350 I351L296-L308 HydrophobicContact CD1-CD1 4.43Å; V304-L308 HydrophobicContact CG1-CD1 4.36Å; V304-L308 WeakPolarHBondContact O-CB 3.47Å; V304-L308 WeakPolarHBondContact O-CG 3.37Å; V304-L308 PolarHBondContact O-N 2.93Å; G305-L308 PolarHBondContact O-N 2.97Å; A306-L308 VanDerWaalsContact C-N 3.26Å; A306-L308 PolarHBondContact O-N 2.97Å; L308-H311 PolarHBondContact O-N 3.37Å; L308-A312 PolarHBondContact O-N 2.85Å; L308-L318 HydrophobicContact CB-CD1 4.35Å; L308-L318 HydrophobicContact CB-CD2 4.01Å; L308-L329 HydrophobicContact CD2-CB 4.11Å; L308-L329 HydrophobicContact CD2-CD2 3.65Å; L308-L350 HydrophobicContact CD2-CB 4.25Å; L308-L350 HydrophobicContact CD2-CD1 4.32Å; L308-I351 HydrophobicContact CD1-CD1 4.3Å; L308-I351 HydrophobicContact CD1-CG1 4.09Å; L308-I351 HydrophobicContact CD2-CG1 4.22Å
309I89.4Confident89.3Confident0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-62.7-46.1177.3-67.5167.8000110.2I163 V164 M289 L296 G305 A306 H311 A312 G313 L315 L318I163-I309 HydrophobicContact CG2-CB 4.46Å; I163-I309 HydrophobicContact CG2-CG2 4Å; V164-I309 HydrophobicContact CG2-CG2 4.05Å; M289-I309 HydrophobicContact CE-CD1 4.11Å; M289-I309 HydrophobicContact SD-CD1 3.64Å; L296-I309 HydrophobicContact CD2-CD1 3.88Å; L296-I309 HydrophobicContact CD2-CG1 4.09Å; G305-I309 WeakPolarHBondContact O-CG1 3.35Å; G305-I309 PolarHBondContact O-N 3.02Å; A306-I309 PolarHBondContact O-N 3.13Å; I309-H311 PolarHBondContact O-N 2.97Å; I309-A312 CarbonylContact O-C 3.49Å; I309-A312 PolarHBondContact O-N 3.38Å; I309-A312 VanDerWaalsContact O-N 3.1Å; I309-G313 PolarHBondContact O-N 3.46Å; I309-L315 HydrophobicContact CD1-CD1 3.86Å; I309-L315 HydrophobicContact CG1-CD1 3.95Å; I309-L318 HydrophobicContact CG1-CD2 3.94Å
310S87.3Confident89.4Confident8 Ų829 Ų296%0.05616%0.159CC..Hα-helixtrans-58.4-45.8179.1-170.80000112.4I167 C175 A306 A312 G313I167-S310 WeakPolarHBondContact CG2-OG 3.24Å; C175-S310 PolarHBondContact SG-O 2.98Å; C175-S310 PolarHBondContact SG-OG 3.22Å; A306-S310 PolarHBondContact O-N 3.46Å; S310-A312 PolarHBondContact O-N 2.94Å; S310-G313 PolarHBondContact O-N 2.92Å; S310-G313 VanDerWaalsContact O-N 3.08Å
311H86.3Confident89.5Confident61 Ų6131.4 Ų31.428%0.28217%0.17SC..Hα-helixtrans-67.6-20.1179.2-166-46.6000113R307 L308 I309 L329 G330 E332 L350R307-H311 WeakPolarHBondContact O-CB 3.49Å; R307-H311 PolarHBondContact O-N 2.91Å; R307-H311 VanDerWaalsContact O-N 3.12Å; L308-H311 PolarHBondContact O-N 3.37Å; I309-H311 PolarHBondContact O-N 2.97Å; H311-L329 HydrophobicContact CB-CD2 3.84Å; H311-L329 HydrophobicContact CB-CG 4.31Å; H311-G330 VanDerWaalsContact NE2-CA 3.32Å; H311-G330 WeakPolarHBondContact NE2-CA 3.36Å; H311-G330 PolarHBondContact NE2-N 3.04Å; H311-G330 VanDerWaalsContact NE2-N 3.16Å; H311-E332 IonicContact CE1-OE1 2.66Å; H311-E332 PolarHBondContact CE1-OE1 3.13Å; H311-E332 VanDerWaalsContact CE1-OE1 3.25Å; H311-E332 IonicContact CE1-OE2 2.74Å; H311-E332 IonicContact NE2-OE1 3.86Å; H311-L350 HydrophobicContact CB-CD1 4.3Å
312A87.4Confident89.7Confident14 Ų1433.3 Ų33.312%0.11618%0.179CC..Hα-helixtrans-96-7.3172.400000114L308 I309 S310 S314 N317 L318L308-A312 PolarHBondContact O-N 2.85Å; I309-A312 CarbonylContact O-C 3.49Å; I309-A312 PolarHBondContact O-N 3.38Å; I309-A312 VanDerWaalsContact O-N 3.1Å; S310-A312 PolarHBondContact O-N 2.94Å; A312-S314 PolarHBondContact O-N 3.41Å; A312-S314 VanDerWaalsContact O-N 3.09Å; A312-N317 VanDerWaalsContact O-CB 3.32Å; A312-N317 WeakPolarHBondContact O-CB 3.28Å; A312-L318 HydrophobicContact CB-CB 3.7Å; A312-L318 HydrophobicContact CB-CD1 3.84Å; A312-L318 HydrophobicContact CB-CG 4.34Å
313G84.3Confident90Very high39 Ų3932.7 Ų32.740%0.40218%0.182SC..THydrogen-bonded Turntrans71.2-11.9-17800000116.3I309 S310I309-G313 PolarHBondContact O-N 3.46Å; S310-G313 PolarHBondContact O-N 2.92Å; S310-G313 VanDerWaalsContact O-N 3.08Å
314S85.6Confident90.3Very high16 Ų1633.5 Ų33.511%0.11219%0.191CC..SBendtrans-168.4150.8174.4158.80000109.9D160 A312 L316 N317 L318D160-S314 WeakPolarHBondContact OD2-CA 3.33Å; D160-S314 WeakPolarHBondContact OD2-CB 3.44Å; D160-S314 PolarHBondContact OD2-OG 3.22Å; A312-S314 PolarHBondContact O-N 3.41Å; A312-S314 VanDerWaalsContact O-N 3.09Å; S314-L316 VanDerWaalsContact C-N 3.29Å; S314-L316 PolarHBondContact O-N 2.67Å; S314-L316 PolarHBondContact OG-N 3.46Å; S314-L316 VanDerWaalsContact OG-N 3.09Å; S314-N317 PolarHBondContact O-N 3.28Å; S314-N317 VanDerWaalsContact O-N 3.16Å; S314-L318 PolarHBondContact O-N 3.32Å
315L88.6Confident90.4Very high7 Ų735.2 Ų35.24%0.03720%0.202CC..Hα-helixtrans-58.5-39.9172.3-174.170.3000111.4D160 I292 A293 L296 I309 N317 L318 A319 I380 D383 A384D160-L315 WeakPolarHBondContact OD1-CB 3.49Å; D160-L315 WeakPolarHBondContact OD2-CB 3.17Å; D160-L315 PolarHBondContact OD2-N 2.87Å; I292-L315 HydrophobicContact CG2-CD2 4.15Å; A293-L315 HydrophobicContact CB-CD1 4.08Å; A293-L315 HydrophobicContact CB-CD2 4.31Å; L296-L315 HydrophobicContact CD2-CD1 4.33Å; I309-L315 HydrophobicContact CD1-CD1 3.86Å; I309-L315 HydrophobicContact CG1-CD1 3.95Å; L315-N317 VanDerWaalsContact C-N 3.3Å; L315-N317 PolarHBondContact O-N 2.84Å; L315-L318 WeakPolarHBondContact O-CB 3.12Å; L315-L318 PolarHBondContact O-N 3.26Å; L315-A319 WeakPolarHBondContact O-CB 3.41Å; L315-A319 PolarHBondContact O-N 2.68Å; L315-I380 HydrophobicContact CD1-CG2 4Å; L315-D383 HydrophobicContact CD2-CB 4.34Å; L315-A384 HydrophobicContact CD2-CB 4.22Å; L315-A384 HydrophobicContact CG-CB 4.03Å
316L89.6Confident90.7Very high58 Ų5835.2 Ų35.230%0.30420%0.202SC..Hα-helixtrans-66.5-30.3177.1-174.663.8000112.4S314 K320 L385S314-L316 VanDerWaalsContact C-N 3.29Å; S314-L316 PolarHBondContact O-N 2.67Å; S314-L316 PolarHBondContact OG-N 3.46Å; S314-L316 VanDerWaalsContact OG-N 3.09Å; L316-K320 WeakPolarHBondContact O-CD 3.33Å; L316-K320 WeakPolarHBondContact O-CE 3.41Å; L316-K320 WeakPolarHBondContact O-CG 3.31Å; L316-L385 HydrophobicContact CD1-CD2 3.82Å
317N90.7Very high91Very high67 Ų6736.5 Ų36.536%0.35821%0.208SC..Hα-helixtrans-76.3-40.4172-76.6-16.8000112A312 S314 L315 A319 K320A312-N317 VanDerWaalsContact O-CB 3.32Å; A312-N317 WeakPolarHBondContact O-CB 3.28Å; S314-N317 PolarHBondContact O-N 3.28Å; S314-N317 VanDerWaalsContact O-N 3.16Å; L315-N317 VanDerWaalsContact C-N 3.3Å; L315-N317 PolarHBondContact O-N 2.84Å; N317-A319 VanDerWaalsContact C-N 3.27Å; N317-A319 PolarHBondContact O-N 3.29Å; N317-K320 WeakPolarHBondContact O-CB 3.26Å; N317-K320 PolarHBondContact O-N 2.92Å; N317-K320 VanDerWaalsContact O-N 3.15Å; N317-K320 PolarHBondContact OD1-NZ 2.88Å
318L91.5Very high91.3Very high1 Ų134.8 Ų34.81%0.00520%0.203CC..Hα-helixtrans-59.6-38.7173.8-170.567.1000111.5L308 I309 A312 S314 L315 K320 H321 L329 I380L308-L318 HydrophobicContact CB-CD1 4.35Å; L308-L318 HydrophobicContact CB-CD2 4.01Å; I309-L318 HydrophobicContact CG1-CD2 3.94Å; A312-L318 HydrophobicContact CB-CB 3.7Å; A312-L318 HydrophobicContact CB-CD1 3.84Å; A312-L318 HydrophobicContact CB-CG 4.34Å; S314-L318 PolarHBondContact O-N 3.32Å; L315-L318 WeakPolarHBondContact O-CB 3.12Å; L315-L318 PolarHBondContact O-N 3.26Å; L318-K320 VanDerWaalsContact C-N 3.3Å; L318-K320 PolarHBondContact O-N 2.8Å; L318-H321 WeakPolarHBondContact O-CB 3.46Å; L318-H321 PolarHBondContact O-N 3.43Å; L318-H321 VanDerWaalsContact O-N 3.15Å; L318-L329 HydrophobicContact CD1-CD2 4.12Å; L318-I380 HydrophobicContact CB-CG2 4.14Å; L318-I380 HydrophobicContact CD2-CD1 3.64Å; L318-I380 HydrophobicContact CD2-CG1 4.06Å; L318-I380 HydrophobicContact CD2-CG2 4.01Å; L318-I380 HydrophobicContact CG-CD1 3.9Å; L318-I380 HydrophobicContact CG-CG2 3.98Å
319A93.4Very high91.4Very high6 Ų634.9 Ų34.95%0.0520%0.204CC..Hα-helixtrans-61-34.7176.200000113.4L315 N317 H321 I380 R381 A384L315-A319 WeakPolarHBondContact O-CB 3.41Å; L315-A319 PolarHBondContact O-N 2.68Å; N317-A319 VanDerWaalsContact C-N 3.27Å; N317-A319 PolarHBondContact O-N 3.29Å; A319-H321 VanDerWaalsContact C-N 3.29Å; A319-H321 PolarHBondContact O-N 2.81Å; A319-I380 HydrophobicContact CB-CG2 3.97Å; A319-R381 HydrophobicContact CB-CG 4.03Å; A319-R381 WeakPolarHBondContact O-CG 3.45Å; A319-R381 PolarHBondContact O-NE 3.48Å; A319-A384 HydrophobicContact CB-CB 3.72Å
320K94.1Very high91.4Very high130 Ų13036.9 Ų36.957%0.56523%0.225SC*.Hα-helixtrans-69.7-25.2177.3-64161.6-161.4162.10112.3L316 N317 L318L316-K320 WeakPolarHBondContact O-CD 3.33Å; L316-K320 WeakPolarHBondContact O-CE 3.41Å; L316-K320 WeakPolarHBondContact O-CG 3.31Å; N317-K320 WeakPolarHBondContact O-CB 3.26Å; N317-K320 PolarHBondContact O-N 2.92Å; N317-K320 VanDerWaalsContact O-N 3.15Å; N317-K320 PolarHBondContact OD1-NZ 2.88Å; L318-K320 VanDerWaalsContact C-N 3.3Å; L318-K320 PolarHBondContact O-N 2.8Å
321H93.7Very high91.7Very high54 Ų5437.3 Ų37.325%0.2523%0.228CC..SBendtrans-66.2145.6179.8-65.5-15.1000112L318 A319 T325 V326 R381L318-H321 WeakPolarHBondContact O-CB 3.46Å; L318-H321 PolarHBondContact O-N 3.43Å; L318-H321 VanDerWaalsContact O-N 3.15Å; A319-H321 VanDerWaalsContact C-N 3.29Å; A319-H321 PolarHBondContact O-N 2.81Å; H321-T325 HydrophobicContact CB-CG2 4.3Å; H321-V326 HydrophobicContact CB-CG2 4Å; H321-R381 PolarHBondContact O-NH2 3.49Å
322P95.9Very high91.8Very high60 Ų6037.8 Ų37.839%0.3923%0.231SC..  trans-77.4157170.432.9-34.9000110.9S324 T325 V326P322-S324 PolarHBondContact O-N 3.08Å; P322-S324 VanDerWaalsContact O-N 3.1Å; P322-T325 WeakPolarHBondContact CG-OG1 3.46Å; P322-T325 PolarHBondContact O-N 3.42Å; P322-V326 PolarHBondContact O-N 2.88Å
323A95.9Very high92Very high33 Ų3345.9 Ų45.927%0.27326%0.263SS..Hα-helixtrans-54-3217900000114.2V326 Q327 A373 A374 A377A323-V326 PolarHBondContact O-N 3.34Å; A323-Q327 WeakPolarHBondContact O-CB 3.2Å; A323-Q327 PolarHBondContact O-N 2.91Å; A323-A373 WeakPolarHBondContact O-CB 3.47Å; A323-A374 HydrophobicContact CB-CB 4.27Å; A323-A377 HydrophobicContact CB-CB 4.01Å
324S94.1Very high92.5Very high70 Ų7045.6 Ų45.649%0.4926%0.257SS..Hα-helixtrans-66.2-38.1175.4440000113.1P322 I328P322-S324 PolarHBondContact O-N 3.08Å; P322-S324 VanDerWaalsContact O-N 3.1Å; S324-I328 WeakPolarHBondContact O-CD1 3.39Å; S324-I328 WeakPolarHBondContact O-CG1 3.44Å
325T94.2Very high92.8Very high46 Ų4646 Ų4628%0.28226%0.258SS..Hα-helixtrans-70.5-46.3173.3-59.60000110.3H321 P322 Q327 I328 L329H321-T325 HydrophobicContact CB-CG2 4.3Å; P322-T325 WeakPolarHBondContact CG-OG1 3.46Å; P322-T325 PolarHBondContact O-N 3.42Å; T325-Q327 PolarHBondContact O-N 3.08Å; T325-I328 CarbonylContact O-C 3.53Å; T325-I328 PolarHBondContact O-N 2.98Å; T325-L329 HydrophobicContact CG2-CD1 3.98Å; T325-L329 PolarHBondContact O-N 3.08Å
326V94.8Very high93.1Very high1 Ų152 Ų521%0.00628%0.284CS..Hα-helixtrans-57.1-35.5177.3171.80000111.9H321 P322 A323 I328 I351 A373 T376 A377H321-V326 HydrophobicContact CB-CG2 4Å; P322-V326 PolarHBondContact O-N 2.88Å; A323-V326 PolarHBondContact O-N 3.34Å; V326-I328 VanDerWaalsContact C-N 3.34Å; V326-I328 PolarHBondContact O-N 3.23Å; V326-I351 HydrophobicContact CG1-CD1 3.72Å; V326-I351 VanDerWaalsContact O-CD1 3.24Å; V326-I351 WeakPolarHBondContact O-CD1 3.39Å; V326-A373 HydrophobicContact CG1-CB 4.38Å; V326-T376 HydrophobicContact CG1-CG2 4.13Å; V326-A377 HydrophobicContact CG2-CB 4.48Å
327Q95.4Very high93.3Very high29 Ų2956.8 Ų56.814%0.13630%0.298CS..Hα-helixtrans-61.7-36175.2-172.3-161.4-23.800113.8A323 T325 K347 Y348 G349 R370 A373A323-Q327 WeakPolarHBondContact O-CB 3.2Å; A323-Q327 PolarHBondContact O-N 2.91Å; T325-Q327 PolarHBondContact O-N 3.08Å; Q327-K347 PolarHBondContact NE2-O 2.89Å; Q327-Y348 CarbonylContact O-C 3.59Å; Q327-Y348 WeakPolarHBondContact O-CA 3.48Å; Q327-G349 PolarHBondContact O-N 2.91Å; Q327-R370 VanDerWaalsContact CD-CG 3.45Å; Q327-R370 HydrophobicContact CG-CG 4.42Å; Q327-R370 VanDerWaalsContact OE1-CG 3.26Å; Q327-A373 HydrophobicContact CB-CB 3.65Å; Q327-A373 HydrophobicContact CG-CB 4.23Å
328I94.7Very high93.5Very high31 Ų3154 Ų5416%0.15928%0.284CS..Hα-helixtrans-114.74.4-168.668.9-164.9000113.9S324 T325 V326 G330 A331 L335S324-I328 WeakPolarHBondContact O-CD1 3.39Å; S324-I328 WeakPolarHBondContact O-CG1 3.44Å; T325-I328 CarbonylContact O-C 3.53Å; T325-I328 PolarHBondContact O-N 2.98Å; V326-I328 VanDerWaalsContact C-N 3.34Å; V326-I328 PolarHBondContact O-N 3.23Å; I328-G330 PolarHBondContact O-N 2.87Å; I328-A331 WeakPolarHBondContact O-CB 3.47Å; I328-A331 PolarHBondContact O-N 3.4Å; I328-L335 HydrophobicContact CD1-CD1 4.15Å; I328-L335 HydrophobicContact CD1-CD2 3.56Å; I328-L335 HydrophobicContact CD1-CG 4.48Å; I328-L335 HydrophobicContact CG1-CD2 4.2Å
329L92.7Very high93.7Very high2 Ų258.6 Ų58.61%0.0131%0.308CS..THydrogen-bonded Turntrans-51.6133.2176.2-146.777.9000110.9L308 H311 L318 T325 A331 G349 L350L308-L329 HydrophobicContact CD2-CB 4.11Å; L308-L329 HydrophobicContact CD2-CD2 3.65Å; H311-L329 HydrophobicContact CB-CD2 3.84Å; H311-L329 HydrophobicContact CB-CG 4.31Å; L318-L329 HydrophobicContact CD1-CD2 4.12Å; T325-L329 HydrophobicContact CG2-CD1 3.98Å; T325-L329 PolarHBondContact O-N 3.08Å; L329-A331 VanDerWaalsContact C-N 3.27Å; L329-A331 PolarHBondContact O-N 2.89Å; L329-G349 CarbonylContact O-C 3.44Å; L329-G349 VanDerWaalsContact O-CA 3.3Å; L329-G349 WeakPolarHBondContact O-CA 3.35Å; L329-L350 WeakPolarHBondContact O-CG 3.38Å; L329-L350 PolarHBondContact O-N 3.41Å
330G89.3Confident93.8Very high42 Ų4267.6 Ų67.643%0.43335%0.346SS..THydrogen-bonded Turntrans79.8-14.5-172.800000116.1H311 I328 E332H311-G330 VanDerWaalsContact NE2-CA 3.32Å; H311-G330 WeakPolarHBondContact NE2-CA 3.36Å; H311-G330 PolarHBondContact NE2-N 3.04Å; H311-G330 VanDerWaalsContact NE2-N 3.16Å; I328-G330 PolarHBondContact O-N 2.87Å; G330-E332 VanDerWaalsContact C-N 3.32Å
331A93Very high93.8Very high16 Ų1664.9 Ų64.913%0.13234%0.34CS..  trans-91.411.6173.400000113.4I328 L329 K333 A334 L335 P346I328-A331 WeakPolarHBondContact O-CB 3.47Å; I328-A331 PolarHBondContact O-N 3.4Å; L329-A331 VanDerWaalsContact C-N 3.27Å; L329-A331 PolarHBondContact O-N 2.89Å; A331-K333 PolarHBondContact O-N 3.39Å; A331-A334 WeakPolarHBondContact O-CA 3.15Å; A331-A334 WeakPolarHBondContact O-CB 3.44Å; A331-A334 PolarHBondContact O-N 3.15Å; A331-L335 PolarHBondContact O-N 2.89Å; A331-P346 HydrophobicContact CB-CB 4.03Å; A331-P346 HydrophobicContact CB-CG 3.96Å
332E90.1Very high93.8Very high72 Ų7273.7 Ų73.734%0.33637%0.371SS..Hα-helixtrans-60.2-43.3-165.9-61.3-176.3-179.600113.6H311 G330 A334 L335 F336H311-E332 IonicContact CE1-OE1 2.66Å; H311-E332 PolarHBondContact CE1-OE1 3.13Å; H311-E332 VanDerWaalsContact CE1-OE1 3.25Å; H311-E332 IonicContact CE1-OE2 2.74Å; H311-E332 IonicContact NE2-OE1 3.86Å; G330-E332 VanDerWaalsContact C-N 3.32Å; E332-A334 PolarHBondContact O-N 2.91Å; E332-L335 WeakPolarHBondContact O-CB 3.19Å; E332-L335 PolarHBondContact O-N 3.32Å; E332-L335 VanDerWaalsContact O-N 3.08Å; E332-F336 HydrophobicContact CB-CD2 4.23Å; E332-F336 HydrophobicContact CB-CE2 4.05Å; E332-F336 WeakPolarHBondContact O-CD2 3.25Å; E332-F336 PolarHBondContact O-N 3.14Å
333K91.6Very high93.8Very high184 Ų18478 Ų7880%0.838%0.384SS*.Hα-helixtrans-59.7-31.4175.6-170.3172.6-176.6174.70112.4A331 R337A331-K333 PolarHBondContact O-N 3.39Å; K333-R337 VanDerWaalsContact O-CB 3.27Å; K333-R337 WeakPolarHBondContact O-CB 3.33Å
334A93Very high93.6Very high32 Ų3283 Ų8326%0.26441%0.406SS..Hα-helixtrans-80.4-38.7173.600000112A331 E332 A338 P346A331-A334 WeakPolarHBondContact O-CA 3.15Å; A331-A334 WeakPolarHBondContact O-CB 3.44Å; A331-A334 PolarHBondContact O-N 3.15Å; E332-A334 PolarHBondContact O-N 2.91Å; A334-A338 WeakPolarHBondContact O-CB 3.3Å; A334-A338 PolarHBondContact O-N 3.25Å; A334-P346 HydrophobicContact CB-CG 4.35Å
335L93.3Very high93.6Very high26 Ų2682.8 Ų82.814%0.13640%0.402CS..Hα-helixtrans-60.3-55.3176.8179.669.3000112.1I328 A331 E332 R337 A338 L339 T345 P346I328-L335 HydrophobicContact CD1-CD1 4.15Å; I328-L335 HydrophobicContact CD1-CD2 3.56Å; I328-L335 HydrophobicContact CD1-CG 4.48Å; I328-L335 HydrophobicContact CG1-CD2 4.2Å; A331-L335 PolarHBondContact O-N 2.89Å; E332-L335 WeakPolarHBondContact O-CB 3.19Å; E332-L335 PolarHBondContact O-N 3.32Å; E332-L335 VanDerWaalsContact O-N 3.08Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.19Å; L335-A338 WeakPolarHBondContact O-CB 3.32Å; L335-A338 PolarHBondContact O-N 3.25Å; L335-A338 VanDerWaalsContact O-N 3.15Å; L335-L339 HydrophobicContact CD1-CD1 4.27Å; L335-L339 HydrophobicContact CG-CD1 4.06Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.15Å; L335-T345 HydrophobicContact CD1-CG2 3.8Å; L335-P346 HydrophobicContact CB-CG 3.95Å; L335-P346 HydrophobicContact CD1-CG 4.31Å
336F93.5Very high93.5Very high131 Ų13182.1 Ų82.158%0.57540%0.398SS*.Hα-helixtrans-64.8-35.2-179.2-68.9-61.3000112.2E332 L339 K340E332-F336 HydrophobicContact CB-CD2 4.23Å; E332-F336 HydrophobicContact CB-CE2 4.05Å; E332-F336 WeakPolarHBondContact O-CD2 3.25Å; E332-F336 PolarHBondContact O-N 3.14Å; F336-L339 HydrophobicContact CD1-CD1 4.44Å; F336-K340 VanDerWaalsContact O-CB 3.3Å; F336-K340 WeakPolarHBondContact O-CB 3.28Å; F336-K340 PolarHBondContact O-N 2.96Å
337R95.3Very high93.4Very high160 Ų16087.8 Ų87.860%0.60442%0.423SS*.Hα-helixtrans-64.3-42.4172.1-177.4177.263.6-154.4-1.6112.1K333 L335 T341K333-R337 VanDerWaalsContact O-CB 3.27Å; K333-R337 WeakPolarHBondContact O-CB 3.33Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.19Å; R337-T341 WeakPolarHBondContact O-CB 3.47Å; R337-T341 WeakPolarHBondContact O-CG2 3.48Å; R337-T341 PolarHBondContact O-N 2.64Å; R337-T341 VanDerWaalsContact O-N 3.13Å; R337-T341 PolarHBondContact O-OG1 2.84Å
338A95Very high93.2Very high8 Ų890.9 Ų90.97%0.06643%0.434CS..Hα-helixtrans-64.1-48175.900000111.3A334 L335 T341 R342 K343 D344 T345A334-A338 WeakPolarHBondContact O-CB 3.3Å; A334-A338 PolarHBondContact O-N 3.25Å; L335-A338 WeakPolarHBondContact O-CB 3.32Å; L335-A338 PolarHBondContact O-N 3.25Å; L335-A338 VanDerWaalsContact O-N 3.15Å; A338-T341 CarbonylContact O-C 3.58Å; A338-T341 PolarHBondContact O-N 2.93Å; A338-T341 PolarHBondContact O-OG1 3.38Å; A338-R342 WeakPolarHBondContact O-CA 3.48Å; A338-R342 PolarHBondContact O-N 3.11Å; A338-K343 PolarHBondContact O-N 3.35Å; A338-D344 WeakPolarHBondContact CB-O 3.31Å; A338-T345 HydrophobicContact CB-CG2 4.26Å
339L94.3Very high93.1Very high98 Ų9890 Ų9051%0.51343%0.432SS..Hα-helixtrans-59-48.9176.7-69.2170.5000112.1L335 F336 T341 R342 T345L335-L339 HydrophobicContact CD1-CD1 4.27Å; L335-L339 HydrophobicContact CG-CD1 4.06Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.15Å; F336-L339 HydrophobicContact CD1-CD1 4.44Å; L339-T341 PolarHBondContact O-N 2.71Å; L339-R342 PolarHBondContact O-N 2.68Å; L339-R342 VanDerWaalsContact O-N 3.14Å; L339-T345 HydrophobicContact CD2-CG2 4.06Å; L339-T345 HydrophobicContact CG-CG2 4.3Å
340K96.1Very high93.1Very high195 Ų19591.7 Ų91.785%0.84844%0.441SS*.Hα-helixtrans-62.4-27.7178.2-171172-177.6177.30113.1F336F336-K340 VanDerWaalsContact O-CB 3.3Å; F336-K340 WeakPolarHBondContact O-CB 3.28Å; F336-K340 PolarHBondContact O-N 2.96Å
341T94.9Very high93.2Very high72 Ų7289.7 Ų89.744%0.44242%0.421SS..THydrogen-bonded Turntrans-100.74.3177.857.50000114.2R337 A338 L339 K343R337-T341 WeakPolarHBondContact O-CB 3.47Å; R337-T341 WeakPolarHBondContact O-CG2 3.48Å; R337-T341 PolarHBondContact O-N 2.64Å; R337-T341 VanDerWaalsContact O-N 3.13Å; R337-T341 PolarHBondContact O-OG1 2.84Å; A338-T341 CarbonylContact O-C 3.58Å; A338-T341 PolarHBondContact O-N 2.93Å; A338-T341 PolarHBondContact O-OG1 3.38Å; L339-T341 PolarHBondContact O-N 2.71Å; T341-K343 PolarHBondContact O-N 3.09Å
342R93.9Very high93.2Very high240 Ų24092.8 Ų92.891%0.90643%0.429SS*.THydrogen-bonded Turntrans49.436.7-172.8-59.4-173.5179.2-169.60.4113.9A338 L339A338-R342 WeakPolarHBondContact O-CA 3.48Å; A338-R342 PolarHBondContact O-N 3.11Å; L339-R342 PolarHBondContact O-N 2.68Å; L339-R342 VanDerWaalsContact O-N 3.14Å
343K94.7Very high93.2Very high150 Ų15095.4 Ų95.465%0.65244%0.441SS*.PPolyproline II helixtrans-97.7165.4175.4-66.6-177-179.3-176.70111.3A338 T341 T345A338-K343 PolarHBondContact O-N 3.35Å; T341-K343 PolarHBondContact O-N 3.09Å; K343-T345 PolarHBondContact O-N 2.87Å
344D92.2Very high93.3Very high137 Ų13786.7 Ų86.773%0.73340%0.404SS*.PPolyproline II helixtrans-49.3130.4173.5-91.813000112.1A338 K347A338-D344 WeakPolarHBondContact CB-O 3.31Å; D344-K347 IonicContact OD2-NZ 3.83Å
345T93.1Very high93.2Very high66 Ų6688.3 Ų88.341%0.40541%0.413SS..PPolyproline II helixtrans-79.9152.8178.650.40000112.3L335 A338 L339 K343 K347L335-T345 HydrophobicContact CD1-CG2 3.8Å; A338-T345 HydrophobicContact CB-CG2 4.26Å; L339-T345 HydrophobicContact CD2-CG2 4.06Å; L339-T345 HydrophobicContact CG-CG2 4.3Å; K343-T345 PolarHBondContact O-N 2.87Å; T345-K347 PolarHBondContact O-N 3.01Å
346P93.9Very high93Very high32 Ų3287.1 Ų87.121%0.20841%0.407CS..PPolyproline II helixtrans-61.1136.7175.225.9-34.3000111A331 A334 L335A331-P346 HydrophobicContact CB-CB 4.03Å; A331-P346 HydrophobicContact CB-CG 3.96Å; A334-P346 HydrophobicContact CB-CG 4.35Å; L335-P346 HydrophobicContact CB-CG 3.95Å; L335-P346 HydrophobicContact CD1-CG 4.31Å
347K91.1Very high92.9Very high121 Ų12180.9 Ų80.953%0.52638%0.379SS..SBendtrans-89.5-5.5-173.4-69.8161.8-174.3157.90113.4Q327 D344 T345Q327-K347 PolarHBondContact NE2-O 2.89Å; D344-K347 IonicContact OD2-NZ 3.83Å; T345-K347 PolarHBondContact O-N 3.01Å
348Y92.6Very high92.6Very high94 Ų9475.1 Ų75.137%0.36937%0.369SS..  trans-164.2151.7-178.341.1-101.6000109.6Q327 Y352Q327-Y348 CarbonylContact O-C 3.59Å; Q327-Y348 WeakPolarHBondContact O-CA 3.48Å; Y348-Y352 HydrophobicContact CD1-CD2 4.09Å; Y348-Y352 AromaticContact CD2-CD2 3.45Å; Y348-Y352 HydrophobicContact CD2-CD2 3.45Å; Y348-Y352 VanDerWaalsContact CD2-CD2 3.45Å; Y348-Y352 HydrophobicContact CD2-CE2 4.37Å; Y348-Y352 AromaticContact CD2-CG 3.82Å; Y348-Y352 HydrophobicContact CD2-CG 3.82Å; Y348-Y352 HydrophobicContact CE1-CD2 4.05Å; Y348-Y352 HydrophobicContact CE1-CE2 4.26Å; Y348-Y352 AromaticContact CE2-CD2 3.39Å; Y348-Y352 HydrophobicContact CE2-CD2 3.39Å; Y348-Y352 AromaticContact CE2-CE2 3.87Å; Y348-Y352 HydrophobicContact CE2-CE2 3.87Å; Y348-Y352 AromaticContact CE2-CG 3.95Å; Y348-Y352 HydrophobicContact CE2-CG 3.95Å; Y348-Y352 AromaticContact CG-CD2 3.8Å; Y348-Y352 HydrophobicContact CG-CD2 3.8Å; Y348-Y352 HydrophobicContact CG-CG 4.41Å; Y348-Y352 AromaticContact CZ-CD2 3.7Å; Y348-Y352 AromaticContact CZ-CE2 3.81Å
349G91.9Very high92.3Very high11 Ų1181 Ų8111%0.11340%0.396CS..SBendtrans-115.9-131.7164.900000111.1Q327 L329 I351 Y352Q327-G349 PolarHBondContact O-N 2.91Å; L329-G349 CarbonylContact O-C 3.44Å; L329-G349 VanDerWaalsContact O-CA 3.3Å; L329-G349 WeakPolarHBondContact O-CA 3.35Å; G349-I351 PolarHBondContact O-N 3.07Å; G349-Y352 VanDerWaalsContact O-CB 3.27Å; G349-Y352 WeakPolarHBondContact O-CB 3.46Å; G349-Y352 PolarHBondContact O-N 3.4Å
350L91.6Very high92.1Very high39 Ų3976.6 Ų76.620%0.20437%0.373CS..G310 helixtrans-49.5-33.7-178.6-68.9168.3000114R307 L308 H311 L329 Y352 H353R307-L350 HydrophobicContact CB-CD1 4.25Å; R307-L350 HydrophobicContact CB-CD2 4.32Å; L308-L350 HydrophobicContact CD2-CB 4.25Å; L308-L350 HydrophobicContact CD2-CD1 4.32Å; H311-L350 HydrophobicContact CB-CD1 4.3Å; L329-L350 WeakPolarHBondContact O-CG 3.38Å; L329-L350 PolarHBondContact O-N 3.41Å; L350-Y352 PolarHBondContact O-N 3.11Å; L350-H353 PolarHBondContact O-N 3.37Å; L350-H353 VanDerWaalsContact O-N 3.16Å
351I93.3Very high91.7Very high0 Ų071 Ų710%036%0.355CS..G310 helixtrans-60.3-14.1176.8-67.4-173.7000113.4L308 V326 G349 H353 A354 V357 L372 A373L308-I351 HydrophobicContact CD1-CD1 4.3Å; L308-I351 HydrophobicContact CD1-CG1 4.09Å; L308-I351 HydrophobicContact CD2-CG1 4.22Å; V326-I351 HydrophobicContact CG1-CD1 3.72Å; V326-I351 VanDerWaalsContact O-CD1 3.24Å; V326-I351 WeakPolarHBondContact O-CD1 3.39Å; G349-I351 PolarHBondContact O-N 3.07Å; I351-H353 PolarHBondContact O-N 3.42Å; I351-A354 VanDerWaalsContact O-CB 3.27Å; I351-A354 WeakPolarHBondContact O-CB 3.22Å; I351-A354 PolarHBondContact O-N 2.93Å; I351-A354 VanDerWaalsContact O-N 3.13Å; I351-V357 HydrophobicContact CG2-CG2 4.22Å; I351-L372 HydrophobicContact CG2-CD2 3.73Å; I351-L372 HydrophobicContact CG2-CG 4.21Å; I351-A373 HydrophobicContact CD1-CB 4.07Å
352Y92.8Very high91.4Very high81 Ų8171.8 Ų71.832%0.31837%0.369SS..G310 helixtrans-56.7-32.8171.7-175.8-99.2000113.4Y348 G349 L350 A354 K365Y348-Y352 HydrophobicContact CD1-CD2 4.09Å; Y348-Y352 AromaticContact CD2-CD2 3.45Å; Y348-Y352 HydrophobicContact CD2-CD2 3.45Å; Y348-Y352 VanDerWaalsContact CD2-CD2 3.45Å; Y348-Y352 HydrophobicContact CD2-CE2 4.37Å; Y348-Y352 AromaticContact CD2-CG 3.82Å; Y348-Y352 HydrophobicContact CD2-CG 3.82Å; Y348-Y352 HydrophobicContact CE1-CD2 4.05Å; Y348-Y352 HydrophobicContact CE1-CE2 4.26Å; Y348-Y352 AromaticContact CE2-CD2 3.39Å; Y348-Y352 HydrophobicContact CE2-CD2 3.39Å; Y348-Y352 AromaticContact CE2-CE2 3.87Å; Y348-Y352 HydrophobicContact CE2-CE2 3.87Å; Y348-Y352 AromaticContact CE2-CG 3.95Å; Y348-Y352 HydrophobicContact CE2-CG 3.95Å; Y348-Y352 AromaticContact CG-CD2 3.8Å; Y348-Y352 HydrophobicContact CG-CD2 3.8Å; Y348-Y352 HydrophobicContact CG-CG 4.41Å; Y348-Y352 AromaticContact CZ-CD2 3.7Å; Y348-Y352 AromaticContact CZ-CE2 3.81Å; G349-Y352 VanDerWaalsContact O-CB 3.27Å; G349-Y352 WeakPolarHBondContact O-CB 3.46Å; G349-Y352 PolarHBondContact O-N 3.4Å; L350-Y352 PolarHBondContact O-N 3.11Å; Y352-A354 VanDerWaalsContact C-N 3.31Å; Y352-K365 HydrophobicContact CE2-CD 3.79Å; Y352-K365 PolarHBondContact OH-NZ 3.04Å
353H90Very high91.1Very high127 Ų12769.1 Ų69.159%0.58836%0.364SS*.G310 helixtrans-83.7-2.9-179.4-60.4-86.9000113.7V304 L350 I351 S355V304-H353 HydrophobicContact CG2-CB 4.2Å; L350-H353 PolarHBondContact O-N 3.37Å; L350-H353 VanDerWaalsContact O-N 3.16Å; I351-H353 PolarHBondContact O-N 3.42Å; H353-S355 PolarHBondContact O-N 3.16Å
354A92.6Very high90.9Very high1 Ų162.6 Ų62.61%0.00834%0.336CS..SBendtrans-64.8131.6174.100000110V300 I351 Y352 L356 V357 G358 L372V300-A354 HydrophobicContact CG1-CB 3.58Å; I351-A354 VanDerWaalsContact O-CB 3.27Å; I351-A354 WeakPolarHBondContact O-CB 3.22Å; I351-A354 PolarHBondContact O-N 2.93Å; I351-A354 VanDerWaalsContact O-N 3.13Å; Y352-A354 VanDerWaalsContact C-N 3.31Å; A354-L356 PolarHBondContact O-N 3.5Å; A354-L356 VanDerWaalsContact O-N 3.13Å; A354-V357 HydrophobicContact CB-CG2 4.39Å; A354-V357 WeakPolarHBondContact O-CA 3.21Å; A354-V357 PolarHBondContact O-N 2.9Å; A354-G358 PolarHBondContact O-N 3.44Å; A354-L372 HydrophobicContact CB-CD2 3.84Å
355S90.4Very high90.9Very high66 Ų6657.4 Ų57.446%0.46231%0.307SS..Hα-helixtrans-47.1-46.7-177.61700000112.8H353 V357 G358 Q359H353-S355 PolarHBondContact O-N 3.16Å; S355-V357 VanDerWaalsContact C-N 3.28Å; S355-V357 PolarHBondContact O-N 2.71Å; S355-G358 PolarHBondContact O-N 3.35Å; S355-Q359 WeakPolarHBondContact O-CG 3.03Å; S355-Q359 PolarHBondContact O-N 3.24Å; S355-Q359 VanDerWaalsContact O-N 3.11Å
356L90.1Very high90.8Very high1 Ų155.3 Ų55.31%0.00530%0.298CS..Hα-helixtrans-60.2-31178.1-177.367000113.8A354 T360 I368 L372 L401 E402 L405A354-L356 PolarHBondContact O-N 3.5Å; A354-L356 VanDerWaalsContact O-N 3.13Å; L356-T360 WeakPolarHBondContact O-CG2 3.27Å; L356-I368 HydrophobicContact CG-CG2 4.25Å; L356-L372 HydrophobicContact CD2-CD1 4.29Å; L356-L401 HydrophobicContact CD2-CB 3.82Å; L356-L401 HydrophobicContact CD2-CD1 3.88Å; L356-E402 HydrophobicContact CD1-CG 3.72Å; L356-L405 HydrophobicContact CD1-CD2 3.89Å
357V91.8Very high90.7Very high0 Ų057.6 Ų57.60%031%0.305CS..Hα-helixtrans-84.9-38.2176.6177.80000110.8I351 A354 S355 Q359 T360 K365 I368 L372I351-V357 HydrophobicContact CG2-CG2 4.22Å; A354-V357 HydrophobicContact CB-CG2 4.39Å; A354-V357 WeakPolarHBondContact O-CA 3.21Å; A354-V357 PolarHBondContact O-N 2.9Å; S355-V357 VanDerWaalsContact C-N 3.28Å; S355-V357 PolarHBondContact O-N 2.71Å; V357-Q359 PolarHBondContact O-N 3.05Å; V357-T360 PolarHBondContact O-N 3.42Å; V357-T360 PolarHBondContact O-OG1 3.08Å; V357-K365 HydrophobicContact CG1-CB 4.47Å; V357-K365 HydrophobicContact CG1-CG 4.31Å; V357-K365 VanDerWaalsContact O-CE 3.25Å; V357-K365 WeakPolarHBondContact O-CE 3.47Å; V357-I368 HydrophobicContact CG2-CG2 4.29Å; V357-L372 HydrophobicContact CG2-CD2 3.63Å
358G89.2Confident90.8Very high38 Ų3851.8 Ų51.839%0.39228%0.28SS..Hα-helixtrans-53.6-49.8177.600000112.3A354 S355 T360 K365A354-G358 PolarHBondContact O-N 3.44Å; S355-G358 PolarHBondContact O-N 3.35Å; G358-T360 VanDerWaalsContact C-N 3.3Å; G358-T360 PolarHBondContact O-N 3.06Å; G358-K365 WeakPolarHBondContact O-CE 3.26Å; G358-K365 PolarHBondContact O-NZ 3.36Å; G358-K365 VanDerWaalsContact O-NZ 3.08Å
359Q88.1Confident90.9Very high132 Ų13247.3 Ų47.362%0.61726%0.262SS*.THydrogen-bonded Turntrans-61.2-28.7-179.8-71.2172.5-9.900114.4S355 V357S355-Q359 WeakPolarHBondContact O-CG 3.03Å; S355-Q359 PolarHBondContact O-N 3.24Å; S355-Q359 VanDerWaalsContact O-N 3.11Å; V357-Q359 PolarHBondContact O-N 3.05Å
360T89.6Confident91Very high5 Ų553.8 Ų53.83%0.03128%0.283CS..SBendtrans-78.4148.4-169.479.80000113.4L356 V357 G358 K365 I368 L405L356-T360 WeakPolarHBondContact O-CG2 3.27Å; V357-T360 PolarHBondContact O-N 3.42Å; V357-T360 PolarHBondContact O-OG1 3.08Å; G358-T360 VanDerWaalsContact C-N 3.3Å; G358-T360 PolarHBondContact O-N 3.06Å; T360-K365 WeakPolarHBondContact O-CE 3.42Å; T360-K365 WeakPolarHBondContact OG1-CA 3.33Å; T360-K365 WeakPolarHBondContact OG1-CG 3.43Å; T360-K365 PolarHBondContact OG1-N 2.8Å; T360-I368 HydrophobicContact CG2-CB 4.17Å; T360-I368 HydrophobicContact CG2-CG1 4.08Å; T360-I368 HydrophobicContact CG2-CG2 3.96Å; T360-L405 HydrophobicContact CG2-CD1 3.39Å; T360-L405 HydrophobicContact CG2-CD2 3.77Å; T360-L405 HydrophobicContact CG2-CG 4.24Å
361T88.9Confident91.1Very high77 Ų7754.6 Ų54.647%0.47229%0.287SS..  trans-56.7141.2171.6550000112.6K363 N364 K365 E409T361-K363 PolarHBondContact O-N 3.47Å; T361-N364 WeakPolarHBondContact O-CA 3.45Å; T361-N364 PolarHBondContact O-N 3.04Å; T361-K365 PolarHBondContact O-N 2.92Å; T361-E409 PolarHBondContact N-OE1 2.65Å
362A87.2Confident91.2Very high89 Ų8954.6 Ų54.674%0.73629%0.287SS*.Hα-helixtrans-54-32.8-172.300000114.7N364A362-N364 VanDerWaalsContact C-N 3.28Å; A362-N364 PolarHBondContact O-N 3.27Å
363K87.9Confident91.3Very high185 Ų18550.8 Ų50.880%0.80427%0.272SS*.Hα-helixtrans-68.5-23.3175.9-170.2173.8-176.8175.60113.5T361T361-K363 PolarHBondContact O-N 3.47Å
364N90.1Very high91.6Very high12 Ų1247.1 Ų47.16%0.06426%0.263CS..Hα-helixtrans-103.2-19.5179.2-76.2-23.9000113.5T361 A362 G366 K367 I368 L408T361-N364 WeakPolarHBondContact O-CA 3.45Å; T361-N364 PolarHBondContact O-N 3.04Å; A362-N364 VanDerWaalsContact C-N 3.28Å; A362-N364 PolarHBondContact O-N 3.27Å; N364-G366 VanDerWaalsContact C-N 3.32Å; N364-G366 PolarHBondContact O-N 3.2Å; N364-K367 WeakPolarHBondContact O-CA 3.27Å; N364-K367 WeakPolarHBondContact O-CB 3.48Å; N364-K367 PolarHBondContact O-N 3.46Å; N364-K367 PolarHBondContact OD1-NZ 2.81Å; N364-I368 PolarHBondContact O-N 3.1Å; N364-L408 PolarHBondContact ND2-O 3.43Å
365K91.8Very high91.7Very high29 Ų2950.1 Ų50.113%0.12628%0.276CS..Hα-helixtrans-45-50175.9-76.5-168.5-179.3-156.80113.4Y352 V357 G358 T360 T361 K367 I368 S369Y352-K365 HydrophobicContact CE2-CD 3.79Å; Y352-K365 PolarHBondContact OH-NZ 3.04Å; V357-K365 HydrophobicContact CG1-CB 4.47Å; V357-K365 HydrophobicContact CG1-CG 4.31Å; V357-K365 VanDerWaalsContact O-CE 3.25Å; V357-K365 WeakPolarHBondContact O-CE 3.47Å; G358-K365 WeakPolarHBondContact O-CE 3.26Å; G358-K365 PolarHBondContact O-NZ 3.36Å; G358-K365 VanDerWaalsContact O-NZ 3.08Å; T360-K365 WeakPolarHBondContact O-CE 3.42Å; T360-K365 WeakPolarHBondContact OG1-CA 3.33Å; T360-K365 WeakPolarHBondContact OG1-CG 3.43Å; T360-K365 PolarHBondContact OG1-N 2.8Å; T361-K365 PolarHBondContact O-N 2.92Å; K365-K367 PolarHBondContact O-N 2.8Å; K365-I368 PolarHBondContact O-N 2.62Å; K365-S369 VanDerWaalsContact O-CB 3.25Å; K365-S369 WeakPolarHBondContact O-CB 3.48Å; K365-S369 PolarHBondContact O-N 2.71Å
366G91.3Very high91.9Very high21 Ų2147 Ų4722%0.21625%0.254CS..Hα-helixtrans-72.6-3178.200000116.6N364 R370N364-G366 VanDerWaalsContact C-N 3.32Å; N364-G366 PolarHBondContact O-N 3.2Å; G366-R370 PolarHBondContact O-NE 3.34Å; G366-R370 PolarHBondContact O-NH2 2.82Å
367K91.6Very high92.1Very high80 Ų8047.3 Ų47.335%0.34826%0.257SS..Hα-helixtrans-97-46.4167.4-57174.2-168.2159.30110.1N364 K365 R370 M371 L408N364-K367 WeakPolarHBondContact O-CA 3.27Å; N364-K367 WeakPolarHBondContact O-CB 3.48Å; N364-K367 PolarHBondContact O-N 3.46Å; N364-K367 PolarHBondContact OD1-NZ 2.81Å; K365-K367 PolarHBondContact O-N 2.8Å; K367-R370 PolarHBondContact O-N 3.45Å; K367-M371 HydrophobicContact CB-CE 4.42Å; K367-M371 PolarHBondContact O-N 3.07Å; K367-M371 VanDerWaalsContact O-N 3.15Å; K367-L408 HydrophobicContact CD-CD1 4.42Å; K367-L408 HydrophobicContact CD-CD2 4.44Å
368I93.8Very high92.2Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-67.5-43.5-178.4-67.2-81.7000110.6L356 V357 T360 N364 K365 R370 M371 L372 L405 L408L356-I368 HydrophobicContact CG-CG2 4.25Å; V357-I368 HydrophobicContact CG2-CG2 4.29Å; T360-I368 HydrophobicContact CG2-CB 4.17Å; T360-I368 HydrophobicContact CG2-CG1 4.08Å; T360-I368 HydrophobicContact CG2-CG2 3.96Å; N364-I368 PolarHBondContact O-N 3.1Å; K365-I368 PolarHBondContact O-N 2.62Å; I368-R370 VanDerWaalsContact C-N 3.26Å; I368-R370 PolarHBondContact O-N 2.72Å; I368-M371 HydrophobicContact CD1-CE 3.74Å; I368-M371 HydrophobicContact CG1-CE 4.25Å; I368-M371 PolarHBondContact O-N 2.86Å; I368-M371 VanDerWaalsContact O-N 3.11Å; I368-L372 VanDerWaalsContact O-CB 3.3Å; I368-L372 WeakPolarHBondContact O-CB 3.37Å; I368-L372 PolarHBondContact O-N 2.91Å; I368-L405 HydrophobicContact CD1-CB 3.92Å; I368-L405 HydrophobicContact CD1-CD1 3.89Å; I368-L405 HydrophobicContact CD1-CG 4.47Å; I368-L405 HydrophobicContact CG1-CD1 4.09Å; I368-L408 HydrophobicContact CD1-CD1 4.16Å; I368-L408 HydrophobicContact CG1-CD1 4.43Å
369S94.1Very high92.4Very high0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-55.3-37.4173.9171.90000113K365 A373K365-S369 VanDerWaalsContact O-CB 3.25Å; K365-S369 WeakPolarHBondContact O-CB 3.48Å; K365-S369 PolarHBondContact O-N 2.71Å; S369-A373 VanDerWaalsContact O-CB 3.24Å; S369-A373 WeakPolarHBondContact O-CB 3.3Å; S369-A373 PolarHBondContact O-N 3.16Å
370R94Very high92.6Very high147 Ų14743.3 Ų43.356%0.55523%0.23SC*.Hα-helixtrans-68.1-46173.7-84-173.9-68.5154.5-2.6113.2Q327 G366 K367 I368 L372 A374Q327-R370 VanDerWaalsContact CD-CG 3.45Å; Q327-R370 HydrophobicContact CG-CG 4.42Å; Q327-R370 VanDerWaalsContact OE1-CG 3.26Å; G366-R370 PolarHBondContact O-NE 3.34Å; G366-R370 PolarHBondContact O-NH2 2.82Å; K367-R370 PolarHBondContact O-N 3.45Å; I368-R370 VanDerWaalsContact C-N 3.26Å; I368-R370 PolarHBondContact O-N 2.72Å; R370-L372 VanDerWaalsContact C-N 3.35Å; R370-A374 WeakPolarHBondContact O-CB 3.34Å; R370-A374 PolarHBondContact O-N 3.45Å
371M94.4Very high92.8Very high56 Ų5648.4 Ų48.428%0.27625%0.249SC..Hα-helixtrans-69.2-35.9180-65.3-177.5-66.400111.5K367 I368 K375 L401 R404 L408K367-M371 HydrophobicContact CB-CE 4.42Å; K367-M371 PolarHBondContact O-N 3.07Å; K367-M371 VanDerWaalsContact O-N 3.15Å; I368-M371 HydrophobicContact CD1-CE 3.74Å; I368-M371 HydrophobicContact CG1-CE 4.25Å; I368-M371 PolarHBondContact O-N 2.86Å; I368-M371 VanDerWaalsContact O-N 3.11Å; M371-K375 PolarHBondContact O-N 3.13Å; M371-L401 HydrophobicContact CB-CD2 3.66Å; M371-R404 HydrophobicContact CE-CG 4Å; M371-R404 HydrophobicContact SD-CG 3.94Å; M371-L408 HydrophobicContact CE-CD1 3.74Å
372L94.8Very high92.9Very high0 Ų048.2 Ų48.20%024%0.24CC..Hα-helixtrans-62.1-58.3170.6179.455.5000110.4M299 I351 A354 L356 V357 I368 R370 A374 K375 T376 L401M299-L372 HydrophobicContact CE-CD1 3.66Å; M299-L372 WeakPolarHBondContact O-CD1 3.21Å; I351-L372 HydrophobicContact CG2-CD2 3.73Å; I351-L372 HydrophobicContact CG2-CG 4.21Å; A354-L372 HydrophobicContact CB-CD2 3.84Å; L356-L372 HydrophobicContact CD2-CD1 4.29Å; V357-L372 HydrophobicContact CG2-CD2 3.63Å; I368-L372 VanDerWaalsContact O-CB 3.3Å; I368-L372 WeakPolarHBondContact O-CB 3.37Å; I368-L372 PolarHBondContact O-N 2.91Å; R370-L372 VanDerWaalsContact C-N 3.35Å; L372-A374 PolarHBondContact O-N 3.3Å; L372-A374 VanDerWaalsContact O-N 3.12Å; L372-K375 CarbonylContact O-C 3.57Å; L372-K375 PolarHBondContact O-N 3.02Å; L372-T376 WeakPolarHBondContact CD1-OG1 3.38Å; L372-T376 WeakPolarHBondContact O-CB 3.37Å; L372-T376 PolarHBondContact O-N 3.24Å; L372-T376 PolarHBondContact O-OG1 2.9Å; L372-T376 VanDerWaalsContact O-OG1 3.06Å; L372-L401 HydrophobicContact CB-CD1 4.22Å; L372-L401 HydrophobicContact CD1-CD1 3.8Å
373A95.8Very high93.1Very high1 Ų145.1 Ų45.11%0.00821%0.211CC..Hα-helixtrans-55.5-34.9179.900000113.4A323 V326 Q327 I351 S369 A377A323-A373 WeakPolarHBondContact O-CB 3.47Å; V326-A373 HydrophobicContact CG1-CB 4.38Å; Q327-A373 HydrophobicContact CB-CB 3.65Å; Q327-A373 HydrophobicContact CG-CB 4.23Å; I351-A373 HydrophobicContact CD1-CB 4.07Å; S369-A373 VanDerWaalsContact O-CB 3.24Å; S369-A373 WeakPolarHBondContact O-CB 3.3Å; S369-A373 PolarHBondContact O-N 3.16Å; A373-A377 VanDerWaalsContact O-CB 3.23Å; A373-A377 WeakPolarHBondContact O-CB 3.17Å; A373-A377 PolarHBondContact O-N 3.31Å
374A95.7Very high93.1Very high49 Ų4937.5 Ų37.541%0.40518%0.183SC..Hα-helixtrans-66.6-36.6173.800000114A323 R370 L372A323-A374 HydrophobicContact CB-CB 4.27Å; R370-A374 WeakPolarHBondContact O-CB 3.34Å; R370-A374 PolarHBondContact O-N 3.45Å; L372-A374 PolarHBondContact O-N 3.3Å; L372-A374 VanDerWaalsContact O-N 3.12Å
375K95.3Very high93Very high64 Ų6442.9 Ų42.928%0.27821%0.211SC..Hα-helixtrans-82.6-38.1176.1-70.1-56.6-163.6165.10112.7M299 M371 L372 A377 L378 A379 N397 L401M299-K375 HydrophobicContact CE-CB 3.45Å; M299-K375 VanDerWaalsContact CE-CB 3.45Å; M371-K375 PolarHBondContact O-N 3.13Å; L372-K375 CarbonylContact O-C 3.57Å; L372-K375 PolarHBondContact O-N 3.02Å; K375-A377 PolarHBondContact O-N 3.37Å; K375-L378 WeakPolarHBondContact O-CB 3.4Å; K375-L378 PolarHBondContact O-N 3.29Å; K375-L378 VanDerWaalsContact O-N 3.08Å; K375-A379 PolarHBondContact O-N 2.69Å; K375-N397 HydrophobicContact CB-CB 4.4Å; K375-N397 HydrophobicContact CD-CB 4.29Å; K375-N397 VanDerWaalsContact CD-OD1 3.27Å; K375-N397 WeakPolarHBondContact CD-OD1 3.39Å; K375-N397 WeakPolarHBondContact CE-OD1 3.44Å; K375-N397 HydrophobicContact CG-CB 4.45Å; K375-N397 PolarHBondContact NZ-OD1 2.82Å; K375-L401 HydrophobicContact CB-CD1 4.21Å; K375-L401 HydrophobicContact CG-CD1 4.35Å; K375-L401 HydrophobicContact CG-CD2 4.27Å; K375-L401 HydrophobicContact CG-CG 4.36Å
376T94.4Very high92.6Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-57.1-45.3170.4-64.10000111.4L296 V300 V326 L372 L378 A379 I380L296-T376 HydrophobicContact CD1-CG2 3.84Å; V300-T376 HydrophobicContact CG2-CG2 3.61Å; V300-T376 VanDerWaalsContact CG2-OG1 3.28Å; V300-T376 WeakPolarHBondContact CG2-OG1 3.39Å; V326-T376 HydrophobicContact CG1-CG2 4.13Å; L372-T376 WeakPolarHBondContact CD1-OG1 3.38Å; L372-T376 WeakPolarHBondContact O-CB 3.37Å; L372-T376 PolarHBondContact O-N 3.24Å; L372-T376 PolarHBondContact O-OG1 2.9Å; L372-T376 VanDerWaalsContact O-OG1 3.06Å; T376-L378 PolarHBondContact O-N 3.14Å; T376-A379 WeakPolarHBondContact O-CB 3.49Å; T376-A379 PolarHBondContact O-N 3.03Å; T376-I380 HydrophobicContact CG2-CD1 3.58Å; T376-I380 HydrophobicContact CG2-CG1 4.32Å; T376-I380 WeakPolarHBondContact O-CD1 3.38Å; T376-I380 WeakPolarHBondContact O-CG1 3.49Å; T376-I380 PolarHBondContact O-N 3.37Å
377A95.2Very high91.8Very high9 Ų951.5 Ų51.57%0.07426%0.255CS..Hα-helixtrans-65.2-22.9175.900000113.7A323 V326 A373 K375 R381A323-A377 HydrophobicContact CB-CB 4.01Å; V326-A377 HydrophobicContact CG2-CB 4.48Å; A373-A377 VanDerWaalsContact O-CB 3.23Å; A373-A377 WeakPolarHBondContact O-CB 3.17Å; A373-A377 PolarHBondContact O-N 3.31Å; K375-A377 PolarHBondContact O-N 3.37Å; A377-R381 VanDerWaalsContact O-CD 3.28Å; A377-R381 WeakPolarHBondContact O-CD 3.41Å; A377-R381 VanDerWaalsContact O-CG 3.24Å; A377-R381 WeakPolarHBondContact O-CG 3.42Å
378L93.3Very high91.1Very high84 Ų8452.3 Ų52.344%0.4426%0.263SS..Hα-helixtrans-78.9-46.5171.5-161.4164.2000110.3K375 T376 I380 R381 Y382 M393K375-L378 WeakPolarHBondContact O-CB 3.4Å; K375-L378 PolarHBondContact O-N 3.29Å; K375-L378 VanDerWaalsContact O-N 3.08Å; T376-L378 PolarHBondContact O-N 3.14Å; L378-I380 PolarHBondContact O-N 2.9Å; L378-R381 PolarHBondContact O-N 3.49Å; L378-Y382 PolarHBondContact O-N 3.33Å; L378-Y382 VanDerWaalsContact O-N 3.12Å; L378-M393 HydrophobicContact CD2-CE 3.77Å; L378-M393 HydrophobicContact CD2-SD 3.63Å
379A93.2Very high90Very high0 Ų057.8 Ų57.80%030%0.296CS..Hα-helixtrans-53.6-51.6174.100000112.4N295 M299 K375 T376 R381 Y382 D383N295-A379 HydrophobicContact CB-CB 3.88Å; M299-A379 HydrophobicContact CG-CB 4Å; K375-A379 PolarHBondContact O-N 2.69Å; T376-A379 WeakPolarHBondContact O-CB 3.49Å; T376-A379 PolarHBondContact O-N 3.03Å; A379-R381 VanDerWaalsContact C-N 3.28Å; A379-R381 PolarHBondContact O-N 3.24Å; A379-Y382 PolarHBondContact O-N 2.99Å; A379-Y382 VanDerWaalsContact O-N 3.1Å; A379-D383 PolarHBondContact O-N 3.33Å
380I93.2Very high89.5Confident1 Ų162.1 Ų62.11%0.00532%0.32CS..Hα-helixtrans-58-39.1178.5-65.5156.8000111.8L296 L315 L318 A319 T376 L378 Y382 A384L296-I380 HydrophobicContact CB-CG1 4.35Å; L296-I380 HydrophobicContact CD1-CD1 4.06Å; L296-I380 HydrophobicContact CD1-CG1 3.81Å; L296-I380 HydrophobicContact CD2-CG1 4.2Å; L296-I380 HydrophobicContact CG-CG1 4.34Å; L315-I380 HydrophobicContact CD1-CG2 4Å; L318-I380 HydrophobicContact CB-CG2 4.14Å; L318-I380 HydrophobicContact CD2-CD1 3.64Å; L318-I380 HydrophobicContact CD2-CG1 4.06Å; L318-I380 HydrophobicContact CD2-CG2 4.01Å; L318-I380 HydrophobicContact CG-CD1 3.9Å; L318-I380 HydrophobicContact CG-CG2 3.98Å; A319-I380 HydrophobicContact CB-CG2 3.97Å; T376-I380 HydrophobicContact CG2-CD1 3.58Å; T376-I380 HydrophobicContact CG2-CG1 4.32Å; T376-I380 WeakPolarHBondContact O-CD1 3.38Å; T376-I380 WeakPolarHBondContact O-CG1 3.49Å; T376-I380 PolarHBondContact O-N 3.37Å; L378-I380 PolarHBondContact O-N 2.9Å; I380-Y382 VanDerWaalsContact C-N 3.34Å; I380-A384 WeakPolarHBondContact O-CB 3.41Å; I380-A384 PolarHBondContact O-N 2.97Å
381R92.9Very high89.2Confident112 Ų11256.8 Ų56.842%0.42331%0.307SS..Hα-helixtrans-70.9-30.9179.8-74.3171-174.5-171.71.8112.7A319 H321 A377 L378 A379 L385A319-R381 HydrophobicContact CB-CG 4.03Å; A319-R381 WeakPolarHBondContact O-CG 3.45Å; A319-R381 PolarHBondContact O-NE 3.48Å; H321-R381 PolarHBondContact O-NH2 3.49Å; A377-R381 VanDerWaalsContact O-CD 3.28Å; A377-R381 WeakPolarHBondContact O-CD 3.41Å; A377-R381 VanDerWaalsContact O-CG 3.24Å; A377-R381 WeakPolarHBondContact O-CG 3.42Å; L378-R381 PolarHBondContact O-N 3.49Å; A379-R381 VanDerWaalsContact C-N 3.28Å; A379-R381 PolarHBondContact O-N 3.24Å; R381-L385 VanDerWaalsContact O-CB 3.28Å; R381-L385 WeakPolarHBondContact O-CB 3.07Å; R381-L385 PolarHBondContact O-N 3.44Å
382Y91.5Very high88.9Confident74 Ų7461.3 Ų61.329%0.2933%0.328SS..Hα-helixtrans-75.3-45.5173.1-175.1-102.5000110.9L378 A379 I380 A384 L385 G386 M393L378-Y382 PolarHBondContact O-N 3.33Å; L378-Y382 VanDerWaalsContact O-N 3.12Å; A379-Y382 PolarHBondContact O-N 2.99Å; A379-Y382 VanDerWaalsContact O-N 3.1Å; I380-Y382 VanDerWaalsContact C-N 3.34Å; Y382-A384 PolarHBondContact O-N 3.45Å; Y382-L385 PolarHBondContact O-N 3.3Å; Y382-G386 WeakPolarHBondContact O-CA 3.49Å; Y382-G386 PolarHBondContact O-N 3.48Å; Y382-M393 HydrophobicContact CD1-CE 3.6Å; Y382-M393 HydrophobicContact CD2-CE 4.31Å; Y382-M393 HydrophobicContact CG-CE 3.46Å; Y382-M393 VanDerWaalsContact CG-CE 3.46Å
383D89.8Confident88.6Confident24 Ų2463.2 Ų63.213%0.12834%0.337CS..Hα-helixtrans-59.4-32174.1-68.3-29.1000112.5A293 P294 N295 L296 L315 A379A293-D383 HydrophobicContact CB-CB 4.15Å; P294-D383 WeakPolarHBondContact CD-OD1 3.36Å; N295-D383 VanDerWaalsContact CB-OD1 3.28Å; N295-D383 WeakPolarHBondContact CB-OD1 3.2Å; N295-D383 PolarHBondContact N-OD1 2.91Å; N295-D383 VanDerWaalsContact N-OD1 3.12Å; N295-D383 PolarHBondContact N-OD2 3.28Å; N295-D383 PolarHBondContact ND2-OD1 3.12Å; L296-D383 WeakPolarHBondContact CB-OD2 3.38Å; L296-D383 PolarHBondContact N-OD2 2.65Å; L315-D383 HydrophobicContact CD2-CB 4.34Å; A379-D383 PolarHBondContact O-N 3.33Å
384A88.9Confident88.3Confident24 Ų2463.1 Ų63.120%0.19834%0.336CS..Hα-helixtrans-91.5-18.6-177.100000115.8L315 A319 I380 Y382L315-A384 HydrophobicContact CD2-CB 4.22Å; L315-A384 HydrophobicContact CG-CB 4.03Å; A319-A384 HydrophobicContact CB-CB 3.72Å; I380-A384 WeakPolarHBondContact O-CB 3.41Å; I380-A384 PolarHBondContact O-N 2.97Å; Y382-A384 PolarHBondContact O-N 3.45Å
385L87.9Confident88.2Confident126 Ų12663.2 Ų63.266%0.6634%0.337SS*.Hα-helixtrans-135.3-5.3-171.9-57171.4000113.9L316 R381 Y382L316-L385 HydrophobicContact CD1-CD2 3.82Å; R381-L385 VanDerWaalsContact O-CB 3.28Å; R381-L385 WeakPolarHBondContact O-CB 3.07Å; R381-L385 PolarHBondContact O-N 3.44Å; Y382-L385 PolarHBondContact O-N 3.3Å
386G82.8Confident88.1Confident33 Ų3364.8 Ų64.834%0.3435%0.345SS..  trans-82.2149.6173.800000111.6Y382Y382-G386 WeakPolarHBondContact O-CA 3.49Å; Y382-G386 PolarHBondContact O-N 3.48Å
387E74.9Confident88.1Confident197 Ų19765 Ų6592%0.92135%0.347SS*.SBendtrans-86.1-17.4173.8-58.2-172.6166.700112.1
388D77.3Confident88Confident98 Ų9867.5 Ų67.552%0.52435%0.354SS..  trans-97.6131.1178.9-61-57.3000112.3N390D388-N390 VanDerWaalsContact C-N 3.28Å; D388-N390 PolarHBondContact O-N 3.19Å
389T71.8Confident88.1Confident114 Ų11466.1 Ų66.170%0.69936%0.355SS*.  trans-89.724.6177.652.10000113.9P294P294-T389 WeakPolarHBondContact CG-O 3.38Å
390N83.5Confident88.1Confident92 Ų9271.2 Ų71.249%0.49238%0.377SS..  trans-77.9133.2-174-72.1-28.9000112.8N295 D388 E392N295-N390 PolarHBondContact ND2-O 3.29Å; N295-N390 PolarHBondContact OD1-O 3.01Å; D388-N390 VanDerWaalsContact C-N 3.28Å; D388-N390 PolarHBondContact O-N 3.19Å; N390-E392 VanDerWaalsContact C-N 3.34Å; N390-E392 PolarHBondContact O-N 3.39Å
391A85.8Confident88.1Confident35 Ų3571.6 Ų71.629%0.28938%0.379SS..  trans-84-0.5-178.500000115.1P294 N295 V298 M393 G394 A395P294-A391 HydrophobicContact CB-CB 4.04Å; N295-A391 VanDerWaalsContact OD1-C 3.25Å; N295-A391 WeakPolarHBondContact OD1-CA 3.4Å; N295-A391 PolarHBondContact OD1-O 2.86Å; V298-A391 HydrophobicContact CG2-CB 4.39Å; A391-M393 PolarHBondContact O-N 3.34Å; A391-G394 PolarHBondContact O-N 2.86Å; A391-A395 PolarHBondContact O-N 2.89Å; A391-A395 VanDerWaalsContact O-N 3.13Å
392E88.9Confident88.1Confident151 Ų15169 Ų6971%0.70637%0.372SS*.Hα-helixtrans-60.5-41.6-170.7-175.9178.2-174.100112.6N390 G394 A395 E396N390-E392 VanDerWaalsContact C-N 3.34Å; N390-E392 PolarHBondContact O-N 3.39Å; E392-G394 VanDerWaalsContact C-N 3.32Å; E392-G394 PolarHBondContact O-N 3.13Å; E392-A395 PolarHBondContact O-N 2.98Å; E392-E396 WeakPolarHBondContact O-CB 3.27Å; E392-E396 PolarHBondContact O-N 3.07Å
393M88.7Confident88.2Confident39 Ų3967.8 Ų67.819%0.19238%0.378CS..Hα-helixtrans-67.9-33.3-178.3-173.8-90.6-69.500112N295 L378 Y382 A391 N397N295-M393 PolarHBondContact OD1-N 2.93Å; L378-M393 HydrophobicContact CD2-CE 3.77Å; L378-M393 HydrophobicContact CD2-SD 3.63Å; Y382-M393 HydrophobicContact CD1-CE 3.6Å; Y382-M393 HydrophobicContact CD2-CE 4.31Å; Y382-M393 HydrophobicContact CG-CE 3.46Å; Y382-M393 VanDerWaalsContact CG-CE 3.46Å; A391-M393 PolarHBondContact O-N 3.34Å; M393-N397 WeakPolarHBondContact O-CB 3.46Å; M393-N397 PolarHBondContact O-N 3.44Å; M393-N397 VanDerWaalsContact O-N 3.08Å; M393-N397 PolarHBondContact O-ND2 3.4Å; M393-N397 PolarHBondContact SD-ND2 3.5Å
394G90.4Very high88.2Confident0 Ų072 Ų720%039%0.391CS..Hα-helixtrans-64.3-47169.700000111.8N295 M299 A391 E392 R398N295-G394 PolarHBondContact OD1-N 2.83Å; M299-G394 VanDerWaalsContact SD-O 3.35Å; A391-G394 PolarHBondContact O-N 2.86Å; E392-G394 VanDerWaalsContact C-N 3.32Å; E392-G394 PolarHBondContact O-N 3.13Å; G394-R398 VanDerWaalsContact O-CB 3.22Å; G394-R398 WeakPolarHBondContact O-CB 3.4Å; G394-R398 PolarHBondContact O-N 3.05Å
395A92.8Very high88.3Confident51 Ų5171.4 Ų71.442%0.42139%0.385SS..Hα-helixtrans-62.3-45.8178.300000112.4V298 A391 E392 R398 A399V298-A395 HydrophobicContact CG1-CB 4.37Å; A391-A395 PolarHBondContact O-N 2.89Å; A391-A395 VanDerWaalsContact O-N 3.13Å; E392-A395 PolarHBondContact O-N 2.98Å; A395-R398 PolarHBondContact O-N 3.12Å; A395-A399 PolarHBondContact O-N 2.82Å
396E94.1Very high88.3Confident96 Ų9673.6 Ų73.645%0.44938%0.384SS..Hα-helixtrans-66.2-41.4-179.3-162.4-119.1-163.100112E392 K400E392-E396 WeakPolarHBondContact O-CB 3.27Å; E392-E396 PolarHBondContact O-N 3.07Å; E396-K400 VanDerWaalsContact O-CG 3.31Å; E396-K400 WeakPolarHBondContact O-CG 3.27Å; E396-K400 PolarHBondContact O-N 3Å; E396-K400 VanDerWaalsContact O-N 3.1Å; E396-K400 WeakPolarHBondContact OE1-CE 3.32Å; E396-K400 IonicContact OE1-NZ 2.87Å; E396-K400 PolarHBondContact OE1-NZ 3.39Å; E396-K400 VanDerWaalsContact OE2-CE 3.27Å; E396-K400 WeakPolarHBondContact OE2-CE 3.45Å; E396-K400 IonicContact OE2-NZ 3.13Å; E396-K400 PolarHBondContact OE2-NZ 3.31Å
397N93.7Very high88.7Confident6 Ų676.4 Ų76.43%0.03239%0.389CS..Hα-helixtrans-71.2-32.8175-76.5-68.3000113.1M299 K375 M393 K400 L401M299-N397 HydrophobicContact CE-CB 4.43Å; M299-N397 HydrophobicContact SD-CB 3.77Å; K375-N397 HydrophobicContact CB-CB 4.4Å; K375-N397 HydrophobicContact CD-CB 4.29Å; K375-N397 VanDerWaalsContact CD-OD1 3.27Å; K375-N397 WeakPolarHBondContact CD-OD1 3.39Å; K375-N397 WeakPolarHBondContact CE-OD1 3.44Å; K375-N397 HydrophobicContact CG-CB 4.45Å; K375-N397 PolarHBondContact NZ-OD1 2.82Å; M393-N397 WeakPolarHBondContact O-CB 3.46Å; M393-N397 PolarHBondContact O-N 3.44Å; M393-N397 VanDerWaalsContact O-N 3.08Å; M393-N397 PolarHBondContact O-ND2 3.4Å; M393-N397 PolarHBondContact SD-ND2 3.5Å; N397-K400 PolarHBondContact O-N 3.4Å; N397-L401 WeakPolarHBondContact O-CG 3.36Å; N397-L401 PolarHBondContact O-N 3.02Å; N397-L401 VanDerWaalsContact O-N 3.09Å
398R93.6Very high89.3Confident60 Ų6068.4 Ų68.423%0.22635%0.352CS..Hα-helixtrans-63.2-50.1172.5-173.7-173.7178.197.716.3111V298 M299 G394 A395 K400 L401 E402V298-R398 HydrophobicContact CG1-CB 4.41Å; V298-R398 WeakPolarHBondContact O-CD 3.46Å; V298-R398 PolarHBondContact O-NH1 2.82Å; M299-R398 HydrophobicContact SD-CB 4.14Å; G394-R398 VanDerWaalsContact O-CB 3.22Å; G394-R398 WeakPolarHBondContact O-CB 3.4Å; G394-R398 PolarHBondContact O-N 3.05Å; A395-R398 PolarHBondContact O-N 3.12Å; R398-K400 VanDerWaalsContact C-N 3.28Å; R398-K400 PolarHBondContact O-N 2.94Å; R398-L401 PolarHBondContact O-N 3.23Å; R398-E402 HydrophobicContact CG-CG 4.5Å; R398-E402 IonicContact CZ-OE1 2.84Å; R398-E402 VanDerWaalsContact CZ-OE1 3.26Å; R398-E402 IonicContact NE-OE1 2.67Å; R398-E402 PolarHBondContact NE-OE1 3Å; R398-E402 IonicContact NH2-OE1 3.73Å; R398-E402 PolarHBondContact NH2-OE1 3.01Å; R398-E402 PolarHBondContact O-N 2.6Å
399A94.3Very high89.7Confident56 Ų5666.8 Ų66.846%0.46334%0.341SS..Hα-helixtrans-57.6-41177.100000112A395 L401 E402 A403A395-A399 PolarHBondContact O-N 2.82Å; A399-L401 VanDerWaalsContact C-N 3.33Å; A399-L401 PolarHBondContact O-N 3.07Å; A399-E402 PolarHBondContact O-N 3.43Å; A399-A403 WeakPolarHBondContact O-CB 3.31Å; A399-A403 PolarHBondContact O-N 3.34Å
400K94Very high90.2Very high106 Ų10665.8 Ų65.846%0.46133%0.332SS..Hα-helixtrans-60.9-36.8173.4-74.4170.1179.2173.70113.1E396 N397 R398 R404E396-K400 VanDerWaalsContact O-CG 3.31Å; E396-K400 WeakPolarHBondContact O-CG 3.27Å; E396-K400 PolarHBondContact O-N 3Å; E396-K400 VanDerWaalsContact O-N 3.1Å; E396-K400 WeakPolarHBondContact OE1-CE 3.32Å; E396-K400 IonicContact OE1-NZ 2.87Å; E396-K400 PolarHBondContact OE1-NZ 3.39Å; E396-K400 VanDerWaalsContact OE2-CE 3.27Å; E396-K400 WeakPolarHBondContact OE2-CE 3.45Å; E396-K400 IonicContact OE2-NZ 3.13Å; E396-K400 PolarHBondContact OE2-NZ 3.31Å; N397-K400 PolarHBondContact O-N 3.4Å; R398-K400 VanDerWaalsContact C-N 3.28Å; R398-K400 PolarHBondContact O-N 2.94Å; K400-R404 WeakPolarHBondContact O-CB 3.41Å; K400-R404 PolarHBondContact O-N 3.4Å
401L93.2Very high89.4Confident9 Ų970.6 Ų70.65%0.04734%0.343CS..Hα-helixtrans-74.9-39.8175.7-69.1178.5000112.9M299 L356 M371 L372 K375 N397 R398 A399 R404 L405M299-L401 HydrophobicContact CE-CD1 3.52Å; L356-L401 HydrophobicContact CD2-CB 3.82Å; L356-L401 HydrophobicContact CD2-CD1 3.88Å; M371-L401 HydrophobicContact CB-CD2 3.66Å; L372-L401 HydrophobicContact CB-CD1 4.22Å; L372-L401 HydrophobicContact CD1-CD1 3.8Å; K375-L401 HydrophobicContact CB-CD1 4.21Å; K375-L401 HydrophobicContact CG-CD1 4.35Å; K375-L401 HydrophobicContact CG-CD2 4.27Å; K375-L401 HydrophobicContact CG-CG 4.36Å; N397-L401 WeakPolarHBondContact O-CG 3.36Å; N397-L401 PolarHBondContact O-N 3.02Å; N397-L401 VanDerWaalsContact O-N 3.09Å; R398-L401 PolarHBondContact O-N 3.23Å; A399-L401 VanDerWaalsContact C-N 3.33Å; A399-L401 PolarHBondContact O-N 3.07Å; L401-R404 CarbonylContact O-C 3.5Å; L401-R404 WeakPolarHBondContact O-CA 3.44Å; L401-R404 WeakPolarHBondContact O-CB 3.49Å; L401-R404 PolarHBondContact O-N 3Å; L401-R404 VanDerWaalsContact O-N 3.13Å; L401-L405 PolarHBondContact O-N 2.91Å
402E92.1Very high88.1Confident57 Ų5772 Ų7227%0.26636%0.36SS..Hα-helixtrans-66.5-40.8177.8-72.4179.1-179.300111.7L356 R398 A399 R404 L405 R406L356-E402 HydrophobicContact CD1-CG 3.72Å; R398-E402 HydrophobicContact CG-CG 4.5Å; R398-E402 IonicContact CZ-OE1 2.84Å; R398-E402 VanDerWaalsContact CZ-OE1 3.26Å; R398-E402 IonicContact NE-OE1 2.67Å; R398-E402 PolarHBondContact NE-OE1 3Å; R398-E402 IonicContact NH2-OE1 3.73Å; R398-E402 PolarHBondContact NH2-OE1 3.01Å; R398-E402 PolarHBondContact O-N 2.6Å; A399-E402 PolarHBondContact O-N 3.43Å; E402-R404 VanDerWaalsContact C-N 3.27Å; E402-R404 PolarHBondContact O-N 3.25Å; E402-L405 WeakPolarHBondContact O-CB 3.3Å; E402-L405 PolarHBondContact O-N 2.99Å; E402-R406 WeakPolarHBondContact O-CG 3.43Å; E402-R406 PolarHBondContact O-N 3.16Å; E402-R406 VanDerWaalsContact O-N 3.12Å
403A92.9Very high86.5Confident50 Ų5072 Ų7241%0.41336%0.364SS..Hα-helixtrans-59.7-38.3169.500000111.9A399 Q407A399-A403 WeakPolarHBondContact O-CB 3.31Å; A399-A403 PolarHBondContact O-N 3.34Å; A403-Q407 WeakPolarHBondContact O-CG 3.43Å; A403-Q407 PolarHBondContact O-N 3.17Å
404R90.8Very high84.7Confident111 Ų11179.4 Ų79.442%0.41939%0.39SS..Hα-helixtrans-73.6-27.1177.2-170.952.4161.4-164.8-8.6113.5M371 K400 L401 E402 Q407 L408M371-R404 HydrophobicContact CE-CG 4Å; M371-R404 HydrophobicContact SD-CG 3.94Å; K400-R404 WeakPolarHBondContact O-CB 3.41Å; K400-R404 PolarHBondContact O-N 3.4Å; L401-R404 CarbonylContact O-C 3.5Å; L401-R404 WeakPolarHBondContact O-CA 3.44Å; L401-R404 WeakPolarHBondContact O-CB 3.49Å; L401-R404 PolarHBondContact O-N 3Å; L401-R404 VanDerWaalsContact O-N 3.13Å; E402-R404 VanDerWaalsContact C-N 3.27Å; E402-R404 PolarHBondContact O-N 3.25Å; R404-Q407 VanDerWaalsContact CD-OE1 3.31Å; R404-L408 WeakPolarHBondContact O-CG 3.43Å; R404-L408 PolarHBondContact O-N 3.33Å
405L90.1Very high82.7Confident12 Ų1290.4 Ų90.46%0.06343%0.431CS..Hα-helixtrans-65.7-54171.9175.554000110.5L356 T360 I368 L401 E402 Q407 L408 E409L356-L405 HydrophobicContact CD1-CD2 3.89Å; T360-L405 HydrophobicContact CG2-CD1 3.39Å; T360-L405 HydrophobicContact CG2-CD2 3.77Å; T360-L405 HydrophobicContact CG2-CG 4.24Å; I368-L405 HydrophobicContact CD1-CB 3.92Å; I368-L405 HydrophobicContact CD1-CD1 3.89Å; I368-L405 HydrophobicContact CD1-CG 4.47Å; I368-L405 HydrophobicContact CG1-CD1 4.09Å; L401-L405 PolarHBondContact O-N 2.91Å; E402-L405 WeakPolarHBondContact O-CB 3.3Å; E402-L405 PolarHBondContact O-N 2.99Å; L405-Q407 VanDerWaalsContact C-N 3.29Å; L405-Q407 PolarHBondContact O-N 3.49Å; L405-L408 WeakPolarHBondContact O-CA 3.4Å; L405-L408 WeakPolarHBondContact O-CB 3.07Å; L405-L408 PolarHBondContact O-N 2.9Å; L405-E409 VanDerWaalsContact CD1-CD 3.48Å; L405-E409 HydrophobicContact CD1-CG 4.09Å; L405-E409 WeakPolarHBondContact CD1-OE1 3.35Å; L405-E409 PolarHBondContact O-N 3.45Å; L405-E409 VanDerWaalsContact O-N 3.16Å
406R89.8Confident80.8Confident172 Ų17294.9 Ų94.965%0.64945%0.446SS*.Hα-helixtrans-52.4-47.3177.1-64.4175.3-171.2179.74.2111.5E402 L408 E409 D410E402-R406 WeakPolarHBondContact O-CG 3.43Å; E402-R406 PolarHBondContact O-N 3.16Å; E402-R406 VanDerWaalsContact O-N 3.12Å; R406-L408 PolarHBondContact O-N 3.45Å; R406-E409 PolarHBondContact O-N 3.39Å; R406-D410 PolarHBondContact O-N 2.87Å
407Q89.9Confident78.6Confident93 Ų9395.1 Ų95.144%0.43546%0.459SS..Hα-helixtrans-58.7-26.9174.2-73.31768.800115.3A403 R404 L405 R411A403-Q407 WeakPolarHBondContact O-CG 3.43Å; A403-Q407 PolarHBondContact O-N 3.17Å; R404-Q407 VanDerWaalsContact CD-OE1 3.31Å; L405-Q407 VanDerWaalsContact C-N 3.29Å; L405-Q407 PolarHBondContact O-N 3.49Å; Q407-R411 VanDerWaalsContact O-CD 3.32Å; Q407-R411 WeakPolarHBondContact O-CD 3.39Å; Q407-R411 WeakPolarHBondContact O-CG 3.44Å
408L87.6Confident76.5Confident28 Ų2897.6 Ų97.615%0.14749%0.485CS..Hα-helixtrans-88.3-14.9178.5-77.9174.4000113N364 K367 I368 M371 R404 L405 R406N364-L408 PolarHBondContact ND2-O 3.43Å; K367-L408 HydrophobicContact CD-CD1 4.42Å; K367-L408 HydrophobicContact CD-CD2 4.44Å; I368-L408 HydrophobicContact CD1-CD1 4.16Å; I368-L408 HydrophobicContact CG1-CD1 4.43Å; M371-L408 HydrophobicContact CE-CD1 3.74Å; R404-L408 WeakPolarHBondContact O-CG 3.43Å; R404-L408 PolarHBondContact O-N 3.33Å; L405-L408 WeakPolarHBondContact O-CA 3.4Å; L405-L408 WeakPolarHBondContact O-CB 3.07Å; L405-L408 PolarHBondContact O-N 2.9Å; R406-L408 PolarHBondContact O-N 3.45Å
409E85.3Confident74.5Confident64 Ų64100.2 Ų100.230%0.29951%0.508SS..Hα-helixtrans-97.3-41.7179.8-67-180147.600110.8T361 L405 R406 R411 G412T361-E409 PolarHBondContact N-OE1 2.65Å; L405-E409 VanDerWaalsContact CD1-CD 3.48Å; L405-E409 HydrophobicContact CD1-CG 4.09Å; L405-E409 WeakPolarHBondContact CD1-OE1 3.35Å; L405-E409 PolarHBondContact O-N 3.45Å; L405-E409 VanDerWaalsContact O-N 3.16Å; R406-E409 PolarHBondContact O-N 3.39Å; E409-R411 PolarHBondContact O-N 2.93Å; E409-G412 WeakPolarHBondContact O-CA 3.35Å; E409-G412 PolarHBondContact O-N 3.42Å
410D82.2Confident72.4Confident93 Ų9399.7 Ų99.750%0.49751%0.508SS..Hα-helixtrans-51.9-40167.7-77.4-26.6000112.6R406 G412 I413 R414R406-D410 PolarHBondContact O-N 2.87Å; D410-G412 PolarHBondContact O-N 3.05Å; D410-I413 PolarHBondContact O-N 3.5Å; D410-R414 PolarHBondContact O-N 3.38Å
411R67.9Low70.3Confident194 Ų194103.1 Ų103.173%0.73252%0.523SS*.Hα-helixtrans-74.9-4.9178.5-68.8-178.176.4179.17.3113.6Q407 E409Q407-R411 VanDerWaalsContact O-CD 3.32Å; Q407-R411 WeakPolarHBondContact O-CD 3.39Å; Q407-R411 WeakPolarHBondContact O-CG 3.44Å; E409-R411 PolarHBondContact O-N 2.93Å
412G58.6Low68.4Low63 Ų63106.7 Ų106.765%0.64955%0.554SS**Hα-helixtrans-77.3-34.8170.300000113E409 D410E409-G412 WeakPolarHBondContact O-CA 3.35Å; E409-G412 PolarHBondContact O-N 3.42Å; D410-G412 PolarHBondContact O-N 3.05Å
413I54Low66.6Low152 Ų152113 Ų11378%0.77959%0.586SS**Hα-helixtrans-92.1-35.3-172.4-63.1170.9000111.6D410 R415D410-I413 PolarHBondContact O-N 3.5Å; I413-R415 VanDerWaalsContact C-N 3.28Å; I413-R415 PolarHBondContact O-N 2.93Å
414R51.7Low64.8Low194 Ų194114.2 Ų114.273%0.73260%0.596SS**  trans-73.977.3175.2-57.9-168.7-156.6-166.57.3112D410 I416D410-R414 PolarHBondContact O-N 3.38Å; R414-I416 PolarHBondContact O-N 3.18Å
415R47.6Very low63.2Low232 Ų232118 Ų11888%0.87562%0.616SS**  trans-49.8129.9146.2-78.6-171.6178.5-1722106.7I413 S417I413-R415 VanDerWaalsContact C-N 3.28Å; I413-R415 PolarHBondContact O-N 2.93Å; R415-S417 PolarHBondContact O-N 3.36Å
416I53.4Low61.7Low144 Ų144121.9 Ų121.974%0.73865%0.649SS**  trans-66.6100.3-173.1-59.5169.9000108.9R414 G418R414-I416 PolarHBondContact O-N 3.18Å; I416-G418 PolarHBondContact O-N 3.47Å
417S48Very low60.4Low102 Ų102121.1 Ų121.171%0.71366%0.658SS**  trans-77.961.8-173.249.10000112.6R415 T419R415-S417 PolarHBondContact O-N 3.36Å; S417-T419 PolarHBondContact O-N 2.98Å
418G50.1Low59Low57 Ų57126 Ų12659%0.58868%0.678SS**SBendtrans74.3-54.2169.600000116I416 G420 K421I416-G418 PolarHBondContact O-N 3.47Å; G418-G420 PolarHBondContact O-N 2.95Å; G418-K421 PolarHBondContact O-N 3.36Å
419T51.6Low58Low115 Ų115133.9 Ų133.971%0.70671%0.707SS**G310 helixtrans-71.6-29.1-16454.50000114.5S417 K421 A422S417-T419 PolarHBondContact O-N 2.98Å; T419-K421 PolarHBondContact O-N 2.66Å; T419-A422 WeakPolarHBondContact O-CB 3.41Å; T419-A422 PolarHBondContact O-N 3.16Å
420G49.8Very low56.8Low45 Ų45138.3 Ų138.346%0.46473%0.727SS.*G310 helixtrans-61-12.717900000115.4G418 A422G418-G420 PolarHBondContact O-N 2.95Å; G420-A422 VanDerWaalsContact C-N 3.34Å
421K50.7Low55.4Low178 Ų178140.7 Ų140.777%0.77474%0.735SS**G310 helixtrans-76.6-15.1172.3-81.9-173.7172.6-178.10114.2G418 T419G418-K421 PolarHBondContact O-N 3.36Å; T419-K421 PolarHBondContact O-N 2.66Å
422A53.2Low54.7Low85 Ų85138.9 Ų138.970%0.70273%0.733SS**SBendtrans-77.9-37.5-175.800000113.4T419 G420T419-A422 WeakPolarHBondContact O-CB 3.41Å; T419-A422 PolarHBondContact O-N 3.16Å; G420-A422 VanDerWaalsContact C-N 3.34Å
423M53.2Low54.6Low190 Ų190139.9 Ų139.994%0.93673%0.73SS**SBendtrans-109.213.9-173-56.3-172.681.800113.8
424A56.6Low54.7Low74 Ų74139.9 Ų139.961%0.61273%0.726SS**  trans-137.744.1-179.700000112.4A426A424-A426 PolarHBondContact O-N 2.97Å
425K55.4Low55Low192 Ų192136 Ų13684%0.83572%0.724SS**  trans-7088.1154.8-79.3-173.2177.7179.40107.9D427K425-D427 PolarHBondContact O-N 3.22Å
426A60.6Low55.4Low93 Ų93134 Ų13477%0.76972%0.722SS**  trans-66.3124.8157.900000107.4A424A424-A426 PolarHBondContact O-N 2.97Å
427D60.8Low55.8Low155 Ų155134 Ų13483%0.82972%0.721SS**  trans-60.6144.6178.2-82.1-51.7000111.2K425 Y429K425-D427 PolarHBondContact O-N 3.22Å; D427-Y429 PolarHBondContact O-N 2.9Å
428K61.7Low56.5Low196 Ų196137 Ų13785%0.85272%0.718SS**  trans-73.291.8-169-165.9-179.8-174.8-174.90109.2Q430K428-Q430 PolarHBondContact O-N 3.24Å
429Y64.9Low56.8Low193 Ų193139.5 Ų139.576%0.75772%0.718SS**  trans-47.8103.8-176.8-178.5-97.2000111.6D427 H431D427-Y429 PolarHBondContact O-N 2.9Å; Y429-H431 HydrophobicContact CE1-CB 4.29Å
430Q61.1Low57.1Low157 Ų157137.9 Ų137.973%0.73471%0.71SS**  trans-86.2123170.7-68.6-178.7-7.200107.5K428 K432K428-Q430 PolarHBondContact O-N 3.24Å; Q430-K432 PolarHBondContact O-N 2.94Å
431H53.3Low57.7Low143 Ų143140 Ų14066%0.66272%0.718SS**  trans-72.779.8177-178.2-86.4000110.4Y429 S433Y429-H431 HydrophobicContact CE1-CB 4.29Å; H431-S433 PolarHBondContact O-N 3.46Å
432K53Low58.1Low157 Ų157135.3 Ų135.368%0.68372%0.719SS**  trans-71.3100.8162.1-76.2-173.4175.1-172.60108.1Q430 E434Q430-K432 PolarHBondContact O-N 2.94Å; K432-E434 PolarHBondContact O-N 3.1Å
433S56.1Low58.3Low84 Ų84137 Ų13759%0.58772%0.716SS**  trans-73.576.7169.852.30000109.9H431 V435H431-S433 PolarHBondContact O-N 3.46Å; S433-V435 PolarHBondContact O-N 2.97Å
434E55.8Low58.5Low151 Ų151132 Ų13271%0.70670%0.7SS**  trans-70.477.8166.3-74.1-178.6-163.500109.2K432 K436K432-E434 PolarHBondContact O-N 3.1Å; E434-K436 PolarHBondContact O-N 3.13Å
435V57.7Low58.6Low112 Ų112135.5 Ų135.568%0.67971%0.714SS**  trans-65.1101.7166.6-177.30000106.6S433 I437S433-V435 PolarHBondContact O-N 2.97Å; V435-I437 HydrophobicContact CG1-CG1 3.9Å; V435-I437 PolarHBondContact O-N 3.13Å
436K57Low58.4Low191 Ų191133.1 Ų133.183%0.8371%0.709SS**  trans-70.682.8169.3-71.2-170.1176-174.40109E434 Y438E434-K436 PolarHBondContact O-N 3.13Å; K436-Y438 PolarHBondContact O-N 3.38Å
437I60.8Low57.5Low143 Ų143134.3 Ų134.373%0.73371%0.709SS**  trans-60.8130.9166.8-57.7176.9000106.9V435 D439V435-I437 HydrophobicContact CG1-CG1 3.9Å; V435-I437 PolarHBondContact O-N 3.13Å; I437-D439 PolarHBondContact O-N 3.21Å
438Y62.5Low56.4Low166 Ų166132.9 Ų132.965%0.65171%0.712SS**  trans-62.9126.6173.4175.7-95.4000109.2K436 P440K436-Y438 PolarHBondContact O-N 3.38Å; Y438-P440 HydrophobicContact CD1-CG 4.43Å; Y438-P440 WeakPolarHBondContact O-CD 3.44Å
439D57.5Low55.1Low109 Ų109129.4 Ų129.458%0.58371%0.707SS**  trans-84.9107.9179.9-171.4-19.5000110I437 S441I437-D439 PolarHBondContact O-N 3.21Å; D439-S441 VanDerWaalsContact CG-OG 3.28Å; D439-S441 PolarHBondContact O-N 3.36Å; D439-S441 VanDerWaalsContact OD1-CB 3.25Å; D439-S441 WeakPolarHBondContact OD1-CB 3.28Å; D439-S441 PolarHBondContact OD1-N 3.21Å; D439-S441 PolarHBondContact OD1-OG 3.26Å; D439-S441 PolarHBondContact OD2-OG 2.84Å
440P58.5Low53.7Low82 Ų82126.1 Ų126.153%0.53271%0.712SS.*G310 helixtrans-77.5-6.9-176.4-1029.4000112.8Y438 G442 D443Y438-P440 HydrophobicContact CD1-CG 4.43Å; Y438-P440 WeakPolarHBondContact O-CD 3.44Å; P440-G442 PolarHBondContact O-N 3.43Å; P440-D443 PolarHBondContact O-N 3.1Å
441S60.6Low52.5Low90 Ų90128.2 Ų128.263%0.62972%0.719SS**G310 helixtrans-67.9-18.9-177.368.30000113.5D439 D443D439-S441 VanDerWaalsContact CG-OG 3.28Å; D439-S441 PolarHBondContact O-N 3.36Å; D439-S441 VanDerWaalsContact OD1-CB 3.25Å; D439-S441 WeakPolarHBondContact OD1-CB 3.28Å; D439-S441 PolarHBondContact OD1-N 3.21Å; D439-S441 PolarHBondContact OD1-OG 3.26Å; D439-S441 PolarHBondContact OD2-OG 2.84Å; S441-D443 VanDerWaalsContact C-N 3.3Å
442G59.2Low51.6Low78 Ų78131.1 Ų131.180%0.80473%0.729SS**G310 helixtrans-76.9-9.6171.100000115.1P440P440-G442 PolarHBondContact O-N 3.43Å
443D57.9Low50.4Low120 Ų120134.9 Ų134.964%0.64274%0.739SS**G310 helixtrans-117.922.1-170-158.122000112.5P440 S441P440-D443 PolarHBondContact O-N 3.1Å; S441-D443 VanDerWaalsContact C-N 3.3Å
444S57.3Low49.1Very low86 Ų86137.7 Ų137.760%0.60174%0.741SS**  trans-12797.8-175.5-70.90000112.2I446S444-I446 PolarHBondContact O-N 2.89Å; S444-I446 VanDerWaalsContact O-N 3.13Å
445T58.8Low47.7Very low147 Ų147138.5 Ų138.590%0.90274%0.742SS**  trans-81.724.6-176.644.30000114.8
446I51.9Low46.2Very low143 Ų143139.3 Ų139.373%0.73374%0.739SS**SBendtrans-131.5124.2-175.7-51.4179.6000110S444 S448S444-I446 PolarHBondContact O-N 2.89Å; S444-I446 VanDerWaalsContact O-N 3.13Å; I446-S448 PolarHBondContact O-N 2.67Å
447P40.5Very low44.9Very low117 Ų117139 Ų13976%0.7674%0.74SS**  trans-76123.1-174.829.7-34.4000112.5
448S39.2Very low43.3Very low126 Ų126138.3 Ų138.388%0.88174%0.743SS**  trans-80.5139.717757.70000112.3I446I446-S448 PolarHBondContact O-N 2.67Å
449T34.1Very low41.5Very low123 Ų123139.7 Ų139.776%0.75576%0.755SS**  trans-117.9153.2-174.452.90000113.5
450S34.3Very low40Very low123 Ų123138 Ų13886%0.8676%0.763SS**  trans75.4158.1167.382.40000118.7
451K36.5Very low38.5Very low202 Ų202141.7 Ų141.788%0.87877%0.773SS**  trans-124143.8-172.9-68.1175.3178.1173.40111.5
452K33.5Very low36.8Very low203 Ų203144.7 Ų144.788%0.88378%0.775SS**  trans16.8132.4152.6-69.9-172.2173.4-173.10120.4
453R28.6Very low35.1Very low236 Ų236145.4 Ų145.489%0.89177%0.767SS**  -142.7131.6127.3-86.9154.3-158-154.52.7106
454K29.4Very low33.5Very low144 Ų144147.1 Ų147.163%0.62677%0.772SS**  60.8136.666.7-83.9-160.6160.5-117.30112.3E456K454-E456 IonicContact NZ-OE1 3.2Å; K454-E456 PolarHBondContact NZ-OE1 2.87Å; K454-E456 IonicContact NZ-OE2 2.75Å; K454-E456 PolarHBondContact NZ-OE2 2.7Å
455F25.9Very low32Very low167 Ų167151.1 Ų151.173%0.73278%0.781SS**  cis-139.6173.719.4-50.1-106.6000109.6
456E26.4Very low30.4Very low130 Ų130151.8 Ų151.861%0.60778%0.779SS**  cis-160.5-150.5-13.4-134.965.5-40.600108K454K454-E456 IonicContact NZ-OE1 3.2Å; K454-E456 PolarHBondContact NZ-OE1 2.87Å; K454-E456 IonicContact NZ-OE2 2.75Å; K454-E456 PolarHBondContact NZ-OE2 2.7Å
457E29.8Very low29.5Very low184 Ų184151 Ų15186%0.8678%0.783SS**  trans-130.3167.8-178.2-64.7173.7119.900113.1
458V26Very low29.3Very low129 Ų129151.9 Ų151.978%0.78279%0.786SS**  trans-142.1110.9164-174.90000112
459E26.2Very low29.1Very low194 Ų194151.3 Ų151.391%0.90778%0.779SS**  trans55.4141.5154.6-60.9176.6-178.600120.9
460G25.2Very low28.6Very low73 Ų73151.5 Ų151.575%0.75378%0.78SS**  cis-161174.55.400000114.7
461E26.9Very low28.1Very low161 Ų161151 Ų15175%0.75277%0.772SS**  trans-96-178.8-168.3-43.6-175.8106.800112.8
462K25Very low27.4Very low152 Ų152149.8 Ų149.866%0.66177%0.767SS**  cis-164.6167.36.3-138.2158.4-163.9151.30112
463S23.1Very low26.9Very low93 Ų93149.6 Ų149.665%0.6577%0.766SS**  trans1.1161.8145.468.10000122.4
464E25.2Very low26.7Very low156 Ų156146.7 Ų146.773%0.72976%0.76SS**  cis-175.6174.4-11.6-109.1-168.9-166.600110.5
465Q25.5Very low26.4Very low171 Ų171149.2 Ų149.280%0.79977%0.771SS**  trans76.4140.5153.5-74.7162.351.200122
466D26.2Very low26.5Very low160 Ų160146.9 Ų146.986%0.85677%0.773SS**  trans-88.1157.9176.8-62.8-83.4000113.1
467P33.1Very low26.3Very low127 Ų127150.4 Ų150.483%0.82579%0.786SS**  -145.21658831.7-11.1000117.6
468V34.7Very low25.9Very low136 Ų136151 Ų15182%0.82479%0.786SS**  trans-73.3166.5175.3-106.20000113.4
469P36.6Very low25.7Very low113 Ų113153.2 Ų153.273%0.73479%0.788SS**  cis-144.4158.319.637.6-15.2000121
470V23.7Very low26.2Very low127 Ų127149.5 Ų149.577%0.7778%0.78SS**  trans42.1117.3141.7-173.30000122.3
471T21.8Very low26Very low112 Ų112152.3 Ų152.369%0.68778%0.783SS**  -178.4132.3116.524.70000118
472K22Very low25.8Very low178 Ų178148 Ų14877%0.77477%0.774SS**  trans48.1123137.1-60.1163.3-173.8163.30123.4
473F24.8Very low25.6Very low199 Ų199149 Ų14987%0.87378%0.781SS**  -168.9100.5114-105.4-78.5000109.2
474K22.4Very low25.7Very low175 Ų175151.8 Ų151.876%0.76178%0.784SS**  53.6104.694.7-82-174176.3-179.10115.3
475K23.7Very low25.6Very low196 Ų196152 Ų15285%0.85279%0.785SS**  86161.690.5-96.4-163.2175.2-172.60113.4
476P27.9Very low25.6Very low119 Ų119152 Ų15277%0.77379%0.785SS**  cis-131.8-165.97.342.4-24.5000115.9
477K23.5Very low25.6Very low203 Ų203148.6 Ų148.688%0.88378%0.779SS**  trans-120.6153.3160.2-78.6-173.2173.9-172.50109.4
478K21.1Very low25.2Very low197 Ų197150.8 Ų150.886%0.85778%0.778SS**  trans-164.1-178.9143.2-118.5-177.6178.2-167.50112.8
479E20.4Very low24.7Very low176 Ų176150.5 Ų150.582%0.82278%0.777SS**  trans-104.4-150.6-164.8-58.8156.7125.300111.9
480P38.5Very low24.2Very low116 Ų116149.8 Ų149.875%0.75378%0.781SS**  -123-158.1-102.338.3-18.8000114
481V20.9Very low24.2Very low132 Ų132148.1 Ų148.180%0.878%0.781SS**  trans106.4123.9160.4-174.30000118
482A21.4Very low24.3Very low69 Ų69151.2 Ų151.257%0.5779%0.787SS**  trans51.4149.4149.400000125.2
483E21.9Very low24.3Very low175 Ų175147.2 Ų147.282%0.81878%0.782SS**  trans54.6143.9144.8-74.1139.4-170.600119.8
484E24.3Very low24.6Very low151 Ų151141.9 Ų141.971%0.70677%0.767SS**  cis-141.3153.35.4-113.9155-17800109.1
485Q23.8Very low24.7Very low159 Ų159142.1 Ų142.174%0.74377%0.768SS**  50.9142.2101.4-54.3-174.72100115.7
486E25.2Very low24.6Very low171 Ų171141.5 Ų141.580%0.79977%0.765SS**  cis-159.4166.721.8-150.9175.3-160.100113.8
487A25.8Very low24.3Very low90 Ų90144.4 Ų144.474%0.74477%0.766SS**  trans58.8152157.300000120.6
488E25.1Very low24.2Very low172 Ų172143.6 Ų143.680%0.80476%0.762SS**  cis-129.5133.1-2.1-73.7-171.1129.500108.4
489T23.9Very low24.2Very low131 Ų131143.4 Ų143.480%0.80476%0.761SS**  52.4136.481.953.80000116.1
490A25.6Very low24.2Very low97 Ų97143.8 Ų143.880%0.80276%0.76SS**  cis-141.9178.21100000110.7
491A24.3Very low23.3Very low93 Ų93146 Ų14677%0.76976%0.758SS**  cis-148.1-179.818.200000115.1
492E23.3Very low23.4Very low176 Ų176145.5 Ų145.582%0.82275%0.747SS**  trans-46.8146.4-165.9-60.4-177.8104.600118.3
493S23.5Very low23.4Very low95 Ų95150.7 Ų150.766%0.66476%0.757SS**  cis91.4165.837101.30000114.2
494P29.7Very low23.3Very low87 Ų87152 Ų15257%0.56576%0.76SS**  cis-143.2163.72.330.3-6.8000119.9
495K25.3Very low23.2Very low179 Ų179148.8 Ų148.878%0.77876%0.759SS**  trans65.8166.2146.7-66.5154.9-159.91620118.3
496K22Very low23.1Very low183 Ų183149.5 Ų149.580%0.79676%0.763SS**  cis-154.2147.3-18.3-117.8-168.5177.6-179.20106.2
497K20.6Very low23.1Very low181 Ų181149.9 Ų149.979%0.78776%0.764SS**  cis81.9130.40-53.8158-173171.10114
498K21.1Very low23.2Very low185 Ų185154.6 Ų154.680%0.80477%0.771SS**  cis-172.9134.45.4-150.6-175.5-169.9177.70111.8
499K21.7Very low23.5Very low193 Ų193151.6 Ų151.684%0.83977%0.767SS**  trans57.5169.3160.8-62.9-174.8175.9-170.60118
500K20.6Very low23.6Very low184 Ų184154.7 Ų154.780%0.877%0.772SS**  cis-163.415917.9-158.3-178.5179.3-176.70112.8
501K20.2Very low23.8Very low163 Ų163158.9 Ų158.971%0.70978%0.775SS**  trans94.7111.7144.2-135.9176.5-173.9-75.90122.2
502E21.4Very low24.2Very low121 Ų121160 Ų16057%0.56577%0.774SS**  trans58.4120.9138.5-71.918089.200127.1
503K21.1Very low24.4Very low178 Ų178161.1 Ų161.177%0.77478%0.776SS**  92131.6128.1-78.4171.3174.31500123.2
504K20.2Very low24.6Very low202 Ų202165.3 Ų165.388%0.87879%0.785SS**  trans67.7124.2167.3-71.8-165.1169.4-162.90115.7
505A21.9Very low24.5Very low84 Ų84170.7 Ų170.769%0.69480%0.803SS**  76.6136.496.500000111.6
506E22Very low24.7Very low175 Ų175169.6 Ų169.682%0.81881%0.806SS**  cis-146.3-175.226.2-124.8135.1169.600113.2
507E24.8Very low24.9Very low178 Ų178170.4 Ų170.483%0.83281%0.812SS**  trans54.9105.7154.1-69.4173.6154.300123.7
508E28.4Very low25.3Very low189 Ų189170.8 Ų170.888%0.88382%0.817SS**  65.9166.3116.8-81.5-153.1-174.300123.9
509P32.5Very low25.6Very low110 Ų110169.1 Ų169.171%0.71482%0.815SS**  trans-113.4175-138.543.9-39.2000117.3
510E25.1Very low26.2Very low195 Ų195165.9 Ų165.991%0.91181%0.814SS**  trans-117.5131.2156-76.9-169.9126.200110.9
511E30.9Very low26.5Very low185 Ų185164.7 Ų164.786%0.86482%0.815SS**PPolyproline II helixtrans-99.3167.6164.7-106.8-168.7164.700110.7
512P32.8Very low26.7Very low117 Ų117162.4 Ų162.476%0.7682%0.819SS**PPolyproline II helixtrans-75.8158.1-166.631.8-36.6000113.6
513K27.4Very low26.9Very low199 Ų199166 Ų16687%0.86584%0.836SS**PPolyproline II helixtrans-88.2140169.2-67.3-172.1177-174.70111.6
514E27.3Very low27.2Very low183 Ų183165.4 Ų165.486%0.85584%0.836SS**PPolyproline II helixtrans-82.5159.4166.3-63.1170.7126.700110.1
515E27.9Very low27.7Very low200 Ų200160.9 Ų160.994%0.93583%0.827SS**  trans-123.1108.9168.8-72.3-175.5141.600108.2
516D27.6Very low27.8Very low156 Ų156162.2 Ų162.283%0.83483%0.827SS**  trans-83.5139.5169.2-83.3-53000110.7
517E28.1Very low27.9Very low201 Ų201160.4 Ų160.494%0.93982%0.818SS**  trans-94.3103.5168.5-73.7-167131.400110.7
518E27.3Very low27.8Very low188 Ų188159.3 Ų159.388%0.87981%0.811SS**PPolyproline II helixtrans-78.8153.5172.1-82.8-160.3127.100113.8
519I29.2Very low27.6Very low150 Ų150158.3 Ų158.377%0.76980%0.804SS**PPolyproline II helixtrans-85.6130.2-175.6-58.7162.4000110.9
520P32.8Very low27.2Very low125 Ų125162.1 Ų162.181%0.81281%0.809SS**PPolyproline II helixtrans-81.9120.1169.531.5-31.9000111.8
521I26.3Very low27.2Very low159 Ų159161.9 Ų161.982%0.81581%0.805SS**PPolyproline II helixtrans-97.5139.8164.8-63.4174.1000108.7
522S25.5Very low26.8Very low116 Ų116162.7 Ų162.781%0.81181%0.806SS**  trans-144.8157.4166.7610000111.4
523E26.2Very low26.5Very low196 Ų196166.9 Ų166.992%0.91681%0.812SS**  trans-91.7167.9-152.3-61.5177.7117.500116
524E26Very low26.4Very low165 Ų165167.1 Ų167.177%0.77181%0.813SS**  trans-73.8165.7-179.4-136.9-163.6-108.600112.7T526E524-T526 PolarHBondContact OE2-N 2.59Å; E524-T526 VanDerWaalsContact OE2-N 3.1Å
525P31.8Very low26.3Very low107 Ų107167.9 Ų167.970%0.69581%0.813SS**  -156.2144.184.238.3-17.3000119.3
526T23.3Very low26.2Very low112 Ų112167.5 Ų167.569%0.68781%0.809SS**  trans71.6118.2138.2610000124.5E524E524-T526 PolarHBondContact OE2-N 2.59Å; E524-T526 VanDerWaalsContact OE2-N 3.1Å
527E23.8Very low26.2Very low137 Ų137165.8 Ų165.864%0.6480%0.804SS**  54.9108.3127.8-107.6-132126.600123.4
528K23.2Very low26.2Very low155 Ų155162.5 Ų162.567%0.67479%0.786SS**  161.6122.6107.7-86.1163-174.179.20117.8
529K23.7Very low26.3Very low169 Ų169161.3 Ų161.374%0.73578%0.781SS**  trans55.4122.9134.1-75169.1179.21580123.7
530K24.3Very low26.3Very low189 Ų189161.5 Ų161.582%0.82278%0.778SS**  112.7131.3126-83.3170.4177.7173.90122.6
531K24.7Very low26.2Very low190 Ų190163.6 Ų163.683%0.82678%0.777SS**  trans93.496.3138.5-82.4-177.7173.9-176.90123.3
532K23.8Very low26.5Very low202 Ų202163.6 Ų163.688%0.87878%0.779SS**  32.5119120.5-73.7-176.1172.9177.50121.5
533K26.2Very low27.1Very low206 Ų206170.8 Ų170.890%0.89680%0.8SS**  -167.7121.6121.9-99.8174.2-178.7179.10106.1
534K24.4Very low27.1Very low203 Ų203169.6 Ų169.688%0.88379%0.794SS**  cis80.990.833.3-158.1-168-175.9-1710115.4
535K25.9Very low27.2Very low199 Ų199169.8 Ų169.887%0.86580%0.795SS**  trans-149.8144.9131.2-132.6-178.1179.9-172.20109.9
536K25.8Very low26.9Very low192 Ų192173.3 Ų173.384%0.83580%0.801SS**  trans-149.2132.8177.7-170.7-169.5-175.7-1650107.2
537V28Very low27.1Very low120 Ų120176.9 Ų176.973%0.72781%0.808SS**  trans-147.9111.7170.1-1690000102.8
538K27.1Very low27.4Very low133 Ų133179.4 Ų179.458%0.57882%0.818SS**  56.2116.289.2-89.3-168.6135-72.10112.7E540K538-E540 IonicContact NZ-OE1 2.6Å; K538-E540 PolarHBondContact NZ-OE1 3.1Å
539E31.3Very low27.6Very low162 Ų162181 Ų18176%0.75783%0.828SS**  cis7792.825.2-157.9178.3-119.100113.2
540E28.4Very low27.9Very low155 Ų155181.9 Ų181.972%0.72483%0.834SS**  trans169.9151.5169.6-94.8151.2-138.600105K538K538-E540 IonicContact NZ-OE1 2.6Å; K538-E540 PolarHBondContact NZ-OE1 3.1Å
541E30.4Very low28.2Very low168 Ų168181.3 Ų181.379%0.78584%0.835SS**  cis-160.6-172.9-44.5-135.8161179.700107.4
542D33Very low28.5Very low159 Ų159180.6 Ų180.685%0.8584%0.836SS**  trans65.6140.3172.2-48.8-30.3000117.8
543E37.5Very low28.9Very low268 Ų268178.6 Ų178.6100%1.25283%0.832SS**  cis-142.30-2.9-167.1175-144.600109.8

Retrieved 543 of 543 residues in 267.3 ms (Link to these results)

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