A0A5K4F1G1_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F1G1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 758 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.5Very low77.8Confident238 Ų23892.6 Ų92.6100%1.17254%0.537SS*.  0138.60-75.9169.4160.600107.3
2A50.2Low79.3Confident90 Ų9089.4 Ų89.474%0.74452%0.516SS*.  trans-67.9140164.700000108.7
3L64.2Low80.6Confident71 Ų7182.7 Ų82.737%0.37248%0.477SS..  trans-70.5133.3173.2-79159.6000109.3A5 F15 Y28L3-A5 PolarHBondContact O-N 3.45Å; L3-A5 VanDerWaalsContact O-N 3.12Å; L3-F15 HydrophobicContact CB-CB 4.04Å; L3-Y28 HydrophobicContact CD1-CD1 3.84Å; L3-Y28 HydrophobicContact CD1-CE1 3.56Å
4V71.4Confident81.6Confident142 Ų14282.8 Ų82.886%0.86147%0.474SS*.  trans-68.8111.7177.2-1790000108.1
5A81.7Confident82.4Confident20 Ų2078.4 Ų78.417%0.16545%0.448CS..  trans-58.1138.4177.500000110.4L3 F15L3-A5 PolarHBondContact O-N 3.45Å; L3-A5 VanDerWaalsContact O-N 3.12Å; A5-F15 HydrophobicContact CB-CD2 3.65Å; A5-F15 HydrophobicContact CB-CE2 3.97Å
6P88.7Confident82.8Confident31 Ų3177.3 Ų77.320%0.20145%0.445CS..  trans-54.8143.5172.6-23.332.8000111.1A8 L9 Q10 F15 I43 Y85P6-A8 PolarHBondContact O-N 3.48Å; P6-L9 HydrophobicContact CG-CD1 4.49Å; P6-L9 CarbonylContact O-C 3.57Å; P6-L9 PolarHBondContact O-N 2.86Å; P6-Q10 PolarHBondContact O-N 3.27Å; P6-Q10 VanDerWaalsContact O-N 3.12Å; P6-F15 HydrophobicContact CG-CZ 4.3Å; P6-I43 HydrophobicContact CG-CD1 3.92Å; P6-Y85 HydrophobicContact CB-CE1 3.68Å; P6-Y85 HydrophobicContact CG-CD1 4.42Å; P6-Y85 HydrophobicContact CG-CE1 3.71Å
7K90.7Very high82.8Confident193 Ų19380.2 Ų80.284%0.83945%0.454SS*.G310 helixtrans-50-37.6-177.1-171.9-176.4177.8-171.90113.1L9 Q10K7-L9 PolarHBondContact O-N 3.02Å; K7-Q10 PolarHBondContact O-N 3.16Å
8A92Very high83Confident38 Ų3879.9 Ų79.931%0.31446%0.456SS..G310 helixtrans-69.6-12.1179.300000115.2P6 V78 T80 Y85P6-A8 PolarHBondContact O-N 3.48Å; A8-V78 HydrophobicContact CB-CG1 4.08Å; A8-T80 HydrophobicContact CB-CG2 3.93Å; A8-Y85 HydrophobicContact CB-CD2 4.49Å; A8-Y85 HydrophobicContact CB-CE2 4.02Å
9L95Very high83Confident0 Ų079.9 Ų79.90%045%0.454CS..G310 helixtrans-123.74-179.3-60.1176.2000112.3P6 K7 G11 L12 Y13 F15 I41 V78 Y85P6-L9 HydrophobicContact CG-CD1 4.49Å; P6-L9 CarbonylContact O-C 3.57Å; P6-L9 PolarHBondContact O-N 2.86Å; K7-L9 PolarHBondContact O-N 3.02Å; L9-G11 PolarHBondContact O-N 3.39Å; L9-L12 WeakPolarHBondContact O-CB 3.33Å; L9-L12 PolarHBondContact O-N 3.02Å; L9-L12 VanDerWaalsContact O-N 3.14Å; L9-Y13 HydrophobicContact CB-CD2 4.18Å; L9-Y13 HydrophobicContact CD2-CD2 3.93Å; L9-Y13 HydrophobicContact CD2-CE2 4.04Å; L9-Y13 PolarHBondContact O-N 3.49Å; L9-Y13 VanDerWaalsContact O-N 3.16Å; L9-F15 HydrophobicContact CB-CE2 4.28Å; L9-F15 HydrophobicContact CD1-CE2 4.06Å; L9-F15 HydrophobicContact CD1-CZ 3.78Å; L9-I41 HydrophobicContact CD1-CD1 4.37Å; L9-I41 HydrophobicContact CD1-CG2 3.99Å; L9-V78 HydrophobicContact CD2-CB 4.5Å; L9-V78 HydrophobicContact CD2-CG2 3.95Å; L9-Y85 HydrophobicContact CD1-CD1 3.7Å; L9-Y85 HydrophobicContact CD1-CE1 4.42Å; L9-Y85 HydrophobicContact CD1-CG 3.99Å; L9-Y85 HydrophobicContact CG-CD1 4.43Å; L9-Y85 HydrophobicContact CG-CG 4.43Å
10Q93Very high82.8Confident138 Ų13878.6 Ų78.665%0.64545%0.453SS*.BIsolated β-bridgetrans-66.2124.2-172.1-172.8175.93.200111.2P6 K7 L12P6-Q10 PolarHBondContact O-N 3.27Å; P6-Q10 VanDerWaalsContact O-N 3.12Å; K7-Q10 PolarHBondContact O-N 3.16Å; Q10-L12 PolarHBondContact O-N 3.35Å
11G92Very high82.4Confident58 Ų5882.6 Ų82.660%0.59847%0.468SS*.THydrogen-bonded Turntrans79.5-15-176.700000115L9 A33L9-G11 PolarHBondContact O-N 3.39Å; G11-A33 VanDerWaalsContact O-CB 3.3Å; G11-A33 WeakPolarHBondContact O-CB 3.37Å
12L95.5Very high83.9Confident54 Ų5473.5 Ų73.528%0.28344%0.435SS..THydrogen-bonded Turntrans-85.2-35.5173.7-59.1-175.3000111.8L9 Q10 A33 Y314L9-L12 WeakPolarHBondContact O-CB 3.33Å; L9-L12 PolarHBondContact O-N 3.02Å; L9-L12 VanDerWaalsContact O-N 3.14Å; Q10-L12 PolarHBondContact O-N 3.35Å; L12-A33 WeakPolarHBondContact O-CB 3.47Å; L12-A33 PolarHBondContact O-N 2.88Å; L12-Y314 HydrophobicContact CB-CD2 3.88Å; L12-Y314 HydrophobicContact CB-CE2 3.5Å; L12-Y314 HydrophobicContact CD1-CD2 4.02Å; L12-Y314 HydrophobicContact CD1-CE2 4.46Å; L12-Y314 HydrophobicContact CD1-CG 4.35Å; L12-Y314 HydrophobicContact CD2-CD1 4.05Å; L12-Y314 HydrophobicContact CD2-CD2 3.96Å; L12-Y314 HydrophobicContact CD2-CE1 3.95Å; L12-Y314 HydrophobicContact CD2-CE2 3.83Å; L12-Y314 HydrophobicContact CD2-CG 4.06Å; L12-Y314 HydrophobicContact CG-CD2 4.16Å; L12-Y314 HydrophobicContact CG-CE2 4.11Å; L12-Y314 PolarHBondContact O-OH 3.34Å
13Y96.5Very high84.7Confident2 Ų273.6 Ų73.61%0.00843%0.431CS..EExtended strand (participates in β ladder)trans-134.9140.2179.5-61.5-86.2000111.6L9 L31 H32 V39 I41 Q76 V87 Y314L9-Y13 HydrophobicContact CB-CD2 4.18Å; L9-Y13 HydrophobicContact CD2-CD2 3.93Å; L9-Y13 HydrophobicContact CD2-CE2 4.04Å; L9-Y13 PolarHBondContact O-N 3.49Å; L9-Y13 VanDerWaalsContact O-N 3.16Å; Y13-L31 WeakPolarHBondContact CA-O 3.45Å; Y13-H32 HydrophobicContact CD1-CB 4.23Å; Y13-H32 HydrophobicContact CE1-CB 3.97Å; Y13-H32 AromaticContact CE1-CD2 3.48Å; Y13-H32 VanDerWaalsContact CE1-CD2 3.48Å; Y13-H32 WeakPolarHBondContact CE1-CD2 3.1Å; Y13-H32 AromaticContact CZ-CD2 3.79Å; Y13-V39 HydrophobicContact CD1-CG2 3.75Å; Y13-V39 HydrophobicContact CE1-CG2 3.85Å; Y13-I41 HydrophobicContact CD1-CD1 3.89Å; Y13-I41 HydrophobicContact CD2-CD1 4.32Å; Y13-I41 HydrophobicContact CG-CD1 3.76Å; Y13-Q76 VanDerWaalsContact CE2-OE1 3.29Å; Y13-Q76 PolarHBondContact OH-OE1 3.42Å; Y13-V87 HydrophobicContact CE1-CG1 3.72Å; Y13-V87 HydrophobicContact CE1-CG2 4.25Å; Y13-V87 HydrophobicContact CE2-CG2 4.02Å; Y13-Y314 AromaticContact CE2-CD2 3.98Å; Y13-Y314 HydrophobicContact CE2-CD2 3.98Å; Y13-Y314 AromaticContact CE2-CE2 3.99Å; Y13-Y314 HydrophobicContact CE2-CE2 3.99Å
14L94.4Very high85.3Confident84 Ų8473 Ų7344%0.4443%0.425SS..EExtended strand (participates in β ladder)trans-101.3104.9173.8-61.2175.3000108.8A30 L31L14-A30 CarbonylContact O-C 3.58Å; L14-A30 WeakPolarHBondContact O-CA 3.5Å; L14-A30 WeakPolarHBondContact O-CB 3.44Å; L14-L31 HydrophobicContact CB-CB 4.34Å; L14-L31 PolarHBondContact N-O 2.73Å; L14-L31 PolarHBondContact O-N 2.92Å
15F93.4Very high85.8Confident17 Ų1766.8 Ų66.88%0.07539%0.39CS..EExtended strand (participates in β ladder)trans-70.5132.5-178.3-81.6-105.7000111.7L3 A5 P6 L9 Y28 A30 I41 I43L3-F15 HydrophobicContact CB-CB 4.04Å; A5-F15 HydrophobicContact CB-CD2 3.65Å; A5-F15 HydrophobicContact CB-CE2 3.97Å; P6-F15 HydrophobicContact CG-CZ 4.3Å; L9-F15 HydrophobicContact CB-CE2 4.28Å; L9-F15 HydrophobicContact CD1-CE2 4.06Å; L9-F15 HydrophobicContact CD1-CZ 3.78Å; F15-Y28 HydrophobicContact CD1-CD1 4.16Å; F15-Y28 HydrophobicContact CD1-CD2 4.2Å; F15-Y28 AromaticContact CD1-CG 3.79Å; F15-Y28 HydrophobicContact CD1-CG 3.79Å; F15-Y28 AromaticContact CE1-CD2 3.88Å; F15-Y28 HydrophobicContact CE1-CD2 3.88Å; F15-Y28 AromaticContact CE1-CG 3.89Å; F15-Y28 HydrophobicContact CE1-CG 3.89Å; F15-A30 HydrophobicContact CG-CB 4.5Å; F15-I41 HydrophobicContact CE1-CB 4.42Å; F15-I41 HydrophobicContact CE1-CD1 4.38Å; F15-I41 HydrophobicContact CE2-CD1 4.11Å; F15-I41 HydrophobicContact CZ-CB 4.39Å; F15-I41 HydrophobicContact CZ-CD1 3.79Å; F15-I41 HydrophobicContact CZ-CG2 4.17Å; F15-I43 HydrophobicContact CE1-CD1 3.88Å; F15-I43 HydrophobicContact CZ-CD1 4.11Å
16C89.6Confident86.1Confident60 Ų6067.2 Ų67.241%0.40539%0.391SS..EExtended strand (participates in β ladder)trans-100.6-83.9180-58.90000110.8V29C16-V29 HydrophobicContact CB-CB 4.11Å; C16-V29 HydrophobicContact CB-CG1 4.27Å; C16-V29 WeakPolarHBondContact CB-O 3.45Å; C16-V29 PolarHBondContact N-O 3.35Å
17E82.9Confident86.2Confident127 Ų12768 Ų6859%0.59339%0.393SS*.EExtended strand (participates in β ladder)trans-143153.8-175.268-170.1152.900111.7Y28 V29E17-Y28 WeakPolarHBondContact O-CA 3.3Å; E17-V29 HydrophobicContact CG-CG2 4.43Å; E17-V29 PolarHBondContact O-N 2.94Å
18P86.1Confident86.3Confident76 Ų7661.1 Ų61.149%0.49436%0.362SS..EExtended strand (participates in β ladder)trans-71.3130.1173.429.2-32.5000110.6V26 L27 Y28P18-V26 HydrophobicContact CB-CG1 4.13Å; P18-L27 CarbonylContact C-O 3.59Å; P18-L27 WeakPolarHBondContact CA-O 3.35Å; P18-Y28 HydrophobicContact CB-CD1 3.9Å; P18-Y28 HydrophobicContact CB-CE1 3.71Å; P18-Y28 HydrophobicContact CG-CE1 4.36Å
19L83.7Confident86.4Confident79 Ų7959.6 Ų59.641%0.41435%0.349SS..EExtended strand (participates in β ladder)trans-81.3-49.8171.4-70.9173.3000111.3L27 V29 A40 Y90L19-L27 HydrophobicContact CB-CB 4.42Å; L19-L27 HydrophobicContact CB-CD2 4.11Å; L19-L27 HydrophobicContact CB-CG 4.24Å; L19-L27 HydrophobicContact CD1-CD2 3.97Å; L19-L27 HydrophobicContact CD1-CG 4.13Å; L19-L27 PolarHBondContact N-O 3.28Å; L19-V29 HydrophobicContact CD1-CG2 3.86Å; L19-V29 HydrophobicContact CD2-CG2 3.48Å; L19-V29 VanDerWaalsContact CD2-CG2 3.48Å; L19-V29 HydrophobicContact CG-CG2 3.58Å; L19-A40 HydrophobicContact CD1-CB 4.44Å; L19-Y90 HydrophobicContact CD1-CD2 4.15Å; L19-Y90 HydrophobicContact CD1-CE2 4.05Å; L19-Y90 HydrophobicContact CD2-CE2 4.2Å
20A79.2Confident86.4Confident53 Ų5359.6 Ų59.644%0.43835%0.349SS..EExtended strand (participates in β ladder)trans-151.6150-17200000111.7V26 L27A20-V26 WeakPolarHBondContact O-CG1 3.37Å; A20-L27 HydrophobicContact CB-CB 4.31Å; A20-L27 PolarHBondContact N-O 3.38Å; A20-L27 PolarHBondContact O-N 3.01Å
21E73.4Confident86.6Confident163 Ų16355.5 Ų55.576%0.76233%0.331SS*.EExtended strand (participates in β ladder)trans-116.5119.6171.3179.5172.2-142.900108.8V26E21-V26 HydrophobicContact CG-CG2 4.31Å
22G68.2Low86.8Confident48 Ų4852.7 Ų52.750%0.49530%0.302SS..EExtended strand (participates in β ladder)trans-108.3176.7178.500000112.3F24 G25G22-F24 VanDerWaalsContact C-N 3.26Å; G22-F24 PolarHBondContact O-N 3.11Å; G22-G25 PolarHBondContact N-O 3Å; G22-G25 PolarHBondContact O-N 3.48Å
23S67.7Low86.8Confident92 Ų9251 Ų5164%0.64330%0.296SS*.THydrogen-bonded Turntrans-54.1-38.7-177.648.50000114.2
24F76.5Confident86.8Confident57 Ų5751.7 Ų51.725%0.2530%0.3CS..THydrogen-bonded Turntrans-108.6-4.9-172-49.3-61.2000114.2G22 L44 D45 K48 L49 D52G22-F24 VanDerWaalsContact C-N 3.26Å; G22-F24 PolarHBondContact O-N 3.11Å; F24-L44 HydrophobicContact CB-CD2 4.07Å; F24-D45 PolarHBondContact O-N 3.37Å; F24-D45 VanDerWaalsContact O-N 3.11Å; F24-K48 HydrophobicContact CD1-CB 4.43Å; F24-K48 WeakPolarHBondContact CD1-O 3.41Å; F24-L49 HydrophobicContact CB-CD2 3.71Å; F24-L49 HydrophobicContact CB-CG 4.27Å; F24-L49 HydrophobicContact CD1-CD2 4.05Å; F24-L49 HydrophobicContact CD2-CD2 3.84Å; F24-L49 HydrophobicContact CE2-CD2 4.48Å; F24-L49 HydrophobicContact CG-CD2 3.59Å; F24-L49 HydrophobicContact CG-CG 4.45Å; F24-D52 HydrophobicContact CE1-CB 4.49Å; F24-D52 HydrophobicContact CE2-CB 4.45Å; F24-D52 HydrophobicContact CZ-CB 4.02Å; F24-D52 WeakPolarHBondContact CZ-OD2 3.17Å
25G82.5Confident86.9Confident12 Ų1248.1 Ų48.112%0.12428%0.282CS..EExtended strand (participates in β ladder)trans179-179.2-162.200000116G22 I43G22-G25 PolarHBondContact N-O 3Å; G22-G25 PolarHBondContact O-N 3.48Å; G25-I43 CarbonylContact C-O 3.5Å; G25-I43 WeakPolarHBondContact CA-O 3.43Å
26V87Confident87.1Confident30 Ų3053.3 Ų53.318%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-129.7138.9-177.6-172.60000109.6P18 A20 E21 Y28 I43P18-V26 HydrophobicContact CB-CG1 4.13Å; A20-V26 WeakPolarHBondContact O-CG1 3.37Å; E21-V26 HydrophobicContact CG-CG2 4.31Å; V26-Y28 HydrophobicContact CB-CD2 4.37Å; V26-Y28 HydrophobicContact CB-CE2 3.68Å; V26-Y28 HydrophobicContact CG1-CD2 4.05Å; V26-Y28 HydrophobicContact CG1-CE1 4.18Å; V26-Y28 HydrophobicContact CG1-CE2 3.48Å; V26-Y28 VanDerWaalsContact CG1-CE2 3.48Å; V26-I43 PolarHBondContact N-O 3.23Å; V26-I43 PolarHBondContact O-N 2.71Å
27L90.6Very high87.4Confident48 Ų4853 Ų5325%0.25129%0.294SS..EExtended strand (participates in β ladder)trans-100.9129.6174.4-172.171000109.2P18 L19 A20 A40 I41 K42P18-L27 CarbonylContact C-O 3.59Å; P18-L27 WeakPolarHBondContact CA-O 3.35Å; L19-L27 HydrophobicContact CB-CB 4.42Å; L19-L27 HydrophobicContact CB-CD2 4.11Å; L19-L27 HydrophobicContact CB-CG 4.24Å; L19-L27 HydrophobicContact CD1-CD2 3.97Å; L19-L27 HydrophobicContact CD1-CG 4.13Å; L19-L27 PolarHBondContact N-O 3.28Å; A20-L27 HydrophobicContact CB-CB 4.31Å; A20-L27 PolarHBondContact N-O 3.38Å; A20-L27 PolarHBondContact O-N 3.01Å; L27-A40 HydrophobicContact CD1-CB 4.01Å; L27-A40 HydrophobicContact CG-CB 4.48Å; L27-I41 WeakPolarHBondContact CA-O 3.35Å; L27-K42 HydrophobicContact CD1-CB 3.89Å; L27-K42 HydrophobicContact CD1-CG 4.39Å
28Y93.3Very high88Confident47 Ų4752.2 Ų52.218%0.18429%0.288CS..EExtended strand (participates in β ladder)trans-121.1148.3179.4-68.8-86.7000112.2L3 F15 E17 P18 V26 A40 I41 I43L3-Y28 HydrophobicContact CD1-CD1 3.84Å; L3-Y28 HydrophobicContact CD1-CE1 3.56Å; F15-Y28 HydrophobicContact CD1-CD1 4.16Å; F15-Y28 HydrophobicContact CD1-CD2 4.2Å; F15-Y28 AromaticContact CD1-CG 3.79Å; F15-Y28 HydrophobicContact CD1-CG 3.79Å; F15-Y28 AromaticContact CE1-CD2 3.88Å; F15-Y28 HydrophobicContact CE1-CD2 3.88Å; F15-Y28 AromaticContact CE1-CG 3.89Å; F15-Y28 HydrophobicContact CE1-CG 3.89Å; E17-Y28 WeakPolarHBondContact O-CA 3.3Å; P18-Y28 HydrophobicContact CB-CD1 3.9Å; P18-Y28 HydrophobicContact CB-CE1 3.71Å; P18-Y28 HydrophobicContact CG-CE1 4.36Å; V26-Y28 HydrophobicContact CB-CD2 4.37Å; V26-Y28 HydrophobicContact CB-CE2 3.68Å; V26-Y28 HydrophobicContact CG1-CD2 4.05Å; V26-Y28 HydrophobicContact CG1-CE1 4.18Å; V26-Y28 HydrophobicContact CG1-CE2 3.48Å; V26-Y28 VanDerWaalsContact CG1-CE2 3.48Å; Y28-A40 CarbonylContact O-C 3.6Å; Y28-A40 WeakPolarHBondContact O-CA 3.46Å; Y28-I41 PolarHBondContact N-O 3.1Å; Y28-I41 PolarHBondContact O-N 3.12Å; Y28-I43 HydrophobicContact CD2-CD1 3.85Å; Y28-I43 HydrophobicContact CD2-CG1 4.18Å; Y28-I43 HydrophobicContact CE2-CD1 3.87Å; Y28-I43 HydrophobicContact CE2-CG1 4.39Å
29V93.7Very high88.6Confident6 Ų648.6 Ų48.64%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-75135.5155.2-172.10000108.4C16 E17 L19 K38 Y90C16-V29 HydrophobicContact CB-CB 4.11Å; C16-V29 HydrophobicContact CB-CG1 4.27Å; C16-V29 WeakPolarHBondContact CB-O 3.45Å; C16-V29 PolarHBondContact N-O 3.35Å; E17-V29 HydrophobicContact CG-CG2 4.43Å; E17-V29 PolarHBondContact O-N 2.94Å; L19-V29 HydrophobicContact CD1-CG2 3.86Å; L19-V29 HydrophobicContact CD2-CG2 3.48Å; L19-V29 VanDerWaalsContact CD2-CG2 3.48Å; L19-V29 HydrophobicContact CG-CG2 3.58Å; V29-K38 HydrophobicContact CG1-CD 4.44Å; V29-K38 HydrophobicContact CG1-CG 4.42Å; V29-Y90 HydrophobicContact CG1-CE2 4.46Å; V29-Y90 HydrophobicContact CG2-CD2 4.23Å; V29-Y90 HydrophobicContact CG2-CE2 3.71Å
30A95.7Very high89.1Confident0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-137.5161.8164.400000111L14 F15 K38 V39 I41L14-A30 CarbonylContact O-C 3.58Å; L14-A30 WeakPolarHBondContact O-CA 3.5Å; L14-A30 WeakPolarHBondContact O-CB 3.44Å; F15-A30 HydrophobicContact CG-CB 4.5Å; A30-K38 CarbonylContact O-C 3.52Å; A30-K38 WeakPolarHBondContact O-CA 3.15Å; A30-V39 HydrophobicContact CB-CG2 4.19Å; A30-V39 PolarHBondContact N-O 2.71Å; A30-V39 PolarHBondContact O-N 3.27Å; A30-I41 HydrophobicContact CB-CD1 3.59Å; A30-I41 HydrophobicContact CB-CG1 4.14Å
31L96.6Very high89.9Confident52 Ų5242.6 Ų42.627%0.27223%0.226SC..EExtended strand (participates in β ladder)trans-97.9127.9165.9-53.6178.9000109.6Y13 L14 A33 Q37 K38Y13-L31 WeakPolarHBondContact CA-O 3.45Å; L14-L31 HydrophobicContact CB-CB 4.34Å; L14-L31 PolarHBondContact N-O 2.73Å; L14-L31 PolarHBondContact O-N 2.92Å; L31-A33 PolarHBondContact O-N 3.13Å; L31-Q37 CarbonylContact C-O 3.45Å; L31-Q37 WeakPolarHBondContact CA-O 3.42Å; L31-K38 HydrophobicContact CD2-CB 4.49Å; L31-K38 HydrophobicContact CD2-CG 3.68Å
32H97.4Very high90.9Very high0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-65.6123.3169.5178-123.2000109.6Y13 V34 T35 R36 Q37 V39 Y314 T318 I321Y13-H32 HydrophobicContact CD1-CB 4.23Å; Y13-H32 HydrophobicContact CE1-CB 3.97Å; Y13-H32 AromaticContact CE1-CD2 3.48Å; Y13-H32 VanDerWaalsContact CE1-CD2 3.48Å; Y13-H32 WeakPolarHBondContact CE1-CD2 3.1Å; Y13-H32 AromaticContact CZ-CD2 3.79Å; H32-V34 VanDerWaalsContact C-N 3.3Å; H32-V34 WeakPolarHBondContact CE1-CG2 3.46Å; H32-V34 PolarHBondContact O-N 2.68Å; H32-V34 VanDerWaalsContact O-N 3.15Å; H32-T35 PolarHBondContact ND1-OG1 2.84Å; H32-R36 VanDerWaalsContact O-CA 3.26Å; H32-R36 WeakPolarHBondContact O-CA 3.09Å; H32-R36 PolarHBondContact O-N 3.13Å; H32-Q37 PolarHBondContact N-O 3.19Å; H32-V39 HydrophobicContact CB-CG1 4.43Å; H32-Y314 AromaticContact CD2-CE2 3.4Å; H32-Y314 VanDerWaalsContact CD2-CE2 3.4Å; H32-Y314 WeakPolarHBondContact CD2-CE2 3.39Å; H32-Y314 AromaticContact CD2-CZ 3.77Å; H32-Y314 AromaticContact NE2-CD2 3.88Å; H32-Y314 AromaticContact NE2-CE1 3.99Å; H32-Y314 AromaticContact NE2-CE2 3.17Å; H32-Y314 WeakPolarHBondContact NE2-CE2 3.31Å; H32-Y314 AromaticContact NE2-CZ 3.23Å; H32-Y314 PolarHBondContact NE2-OH 3.08Å; H32-T318 PolarHBondContact CE1-OG1 3.25Å; H32-T318 VanDerWaalsContact CE1-OG1 3.26Å; H32-T318 PolarHBondContact NE2-OG1 3.05Å; H32-I321 HydrophobicContact CB-CD1 4.04Å
33A95.5Very high92.1Very high17 Ų1735.5 Ų35.514%0.1418%0.18CC..THydrogen-bonded Turntrans-65.3-29-158.600000114.7G11 L12 L31 R36G11-A33 VanDerWaalsContact O-CB 3.3Å; G11-A33 WeakPolarHBondContact O-CB 3.37Å; L12-A33 WeakPolarHBondContact O-CB 3.47Å; L12-A33 PolarHBondContact O-N 2.88Å; L31-A33 PolarHBondContact O-N 3.13Å; A33-R36 PolarHBondContact O-NE 2.72Å; A33-R36 PolarHBondContact O-NH1 3.27Å
34V95.8Very high93.2Very high17 Ų1731.6 Ų31.610%0.10315%0.152CC..THydrogen-bonded Turntrans-98.5-33.3-174.6-59.40000114.3H32 Y295 Y314 T318 L335H32-V34 VanDerWaalsContact C-N 3.3Å; H32-V34 WeakPolarHBondContact CE1-CG2 3.46Å; H32-V34 PolarHBondContact O-N 2.68Å; H32-V34 VanDerWaalsContact O-N 3.15Å; V34-Y295 HydrophobicContact CG1-CE1 4Å; V34-Y295 HydrophobicContact CG1-CE2 4.34Å; V34-Y295 VanDerWaalsContact CG1-OH 3.27Å; V34-Y295 WeakPolarHBondContact CG1-OH 3.25Å; V34-Y314 HydrophobicContact CG2-CE1 4.39Å; V34-T318 HydrophobicContact CG2-CG2 3.98Å; V34-L335 HydrophobicContact CB-CD2 4.2Å; V34-L335 HydrophobicContact CG2-CD2 4.11Å
35T97Very high93.9Very high9 Ų929.7 Ų29.76%0.05514%0.144CC..THydrogen-bonded Turntrans-89.9-14.4174.164.20000113.1H32 Q37 T318 I321 M322 I333 L335H32-T35 PolarHBondContact ND1-OG1 2.84Å; T35-Q37 PolarHBondContact O-N 3.06Å; T35-Q37 VanDerWaalsContact O-N 3.15Å; T35-Q37 PolarHBondContact OG1-N 2.91Å; T35-T318 HydrophobicContact CG2-CG2 4.3Å; T35-I321 HydrophobicContact CG2-CG2 4.16Å; T35-I321 WeakPolarHBondContact OG1-CG2 3.35Å; T35-M322 HydrophobicContact CG2-CG 3.67Å; T35-M322 HydrophobicContact CG2-SD 4.33Å; T35-I333 HydrophobicContact CG2-CD1 4.35Å; T35-I333 HydrophobicContact CG2-CG2 4.42Å; T35-L335 HydrophobicContact CG2-CD2 3.9Å
36R95.9Very high94.3Very high127 Ų12731.5 Ų31.548%0.47915%0.149SC..  trans63.81.8-172.8-53.3-54.8-169.2168.83.6115.9H32 A33H32-R36 VanDerWaalsContact O-CA 3.26Å; H32-R36 WeakPolarHBondContact O-CA 3.09Å; H32-R36 PolarHBondContact O-N 3.13Å; A33-R36 PolarHBondContact O-NE 2.72Å; A33-R36 PolarHBondContact O-NH1 3.27Å
37Q96.7Very high94.5Very high54 Ų5438.9 Ų38.925%0.25217%0.174SC..  trans-75.1151.8-177.9-68.9-68.713.600113.1L31 H32 T35 I321 V325 I333L31-Q37 CarbonylContact C-O 3.45Å; L31-Q37 WeakPolarHBondContact CA-O 3.42Å; H32-Q37 PolarHBondContact N-O 3.19Å; T35-Q37 PolarHBondContact O-N 3.06Å; T35-Q37 VanDerWaalsContact O-N 3.15Å; T35-Q37 PolarHBondContact OG1-N 2.91Å; Q37-I321 HydrophobicContact CB-CG2 3.77Å; Q37-I321 HydrophobicContact CG-CG2 4.08Å; Q37-V325 HydrophobicContact CG-CG2 3.99Å; Q37-I333 HydrophobicContact CG-CD1 3.77Å
38K96.1Very high94.2Very high109 Ų10942 Ų4247%0.47419%0.185SC..EExtended strand (participates in β ladder)trans-72.2141.1176.2-69.8-178.2-178.4177.20110.9V29 A30 L31 Y90V29-K38 HydrophobicContact CG1-CD 4.44Å; V29-K38 HydrophobicContact CG1-CG 4.42Å; A30-K38 CarbonylContact O-C 3.52Å; A30-K38 WeakPolarHBondContact O-CA 3.15Å; L31-K38 HydrophobicContact CD2-CB 4.49Å; L31-K38 HydrophobicContact CD2-CG 3.68Å; K38-Y90 HydrophobicContact CB-CD1 3.63Å; K38-Y90 HydrophobicContact CB-CE1 4.35Å; K38-Y90 HydrophobicContact CB-CG 3.97Å; K38-Y90 HydrophobicContact CD-CD1 3.55Å; K38-Y90 HydrophobicContact CD-CE1 3.39Å; K38-Y90 HydrophobicContact CD-CG 4.44Å; K38-Y90 HydrophobicContact CG-CD1 4.25Å
39V97.1Very high93.7Very high0 Ų040 Ų400%018%0.178CC..EExtended strand (participates in β ladder)trans-137.3152.8171.6-670000109.5Y13 A30 H32 I41 Y75 V87 L88 I321Y13-V39 HydrophobicContact CD1-CG2 3.75Å; Y13-V39 HydrophobicContact CE1-CG2 3.85Å; A30-V39 HydrophobicContact CB-CG2 4.19Å; A30-V39 PolarHBondContact N-O 2.71Å; A30-V39 PolarHBondContact O-N 3.27Å; H32-V39 HydrophobicContact CB-CG1 4.43Å; V39-I41 HydrophobicContact CG2-CD1 4.28Å; V39-I41 HydrophobicContact CG2-CG1 4.12Å; V39-Y75 HydrophobicContact CG1-CD2 4.07Å; V39-Y75 HydrophobicContact CG1-CE2 4.35Å; V39-V87 HydrophobicContact CB-CG1 3.78Å; V39-V87 HydrophobicContact CG1-CG1 3.98Å; V39-V87 HydrophobicContact CG2-CG1 3.84Å; V39-L88 WeakPolarHBondContact CA-O 3.48Å; V39-L88 WeakPolarHBondContact CB-O 3.09Å; V39-I321 HydrophobicContact CG1-CD1 3.76Å; V39-I321 HydrophobicContact CG1-CG1 4.48Å
40A95.9Very high93.2Very high6 Ų642.2 Ų42.25%0.0520%0.202CC..EExtended strand (participates in β ladder)trans-93.5137.1167.800000109.2L19 L27 Y28 L88L19-A40 HydrophobicContact CD1-CB 4.44Å; L27-A40 HydrophobicContact CD1-CB 4.01Å; L27-A40 HydrophobicContact CG-CB 4.48Å; Y28-A40 CarbonylContact O-C 3.6Å; Y28-A40 WeakPolarHBondContact O-CA 3.46Å; A40-L88 HydrophobicContact CB-CB 4.32Å; A40-L88 PolarHBondContact N-O 3.45Å; A40-L88 PolarHBondContact O-N 3.45Å
41I96.2Very high92.4Very high0 Ų047.1 Ų47.10%024%0.236CC..EExtended strand (participates in β ladder)trans-121.3108.4179.2-53.8-173.2000110L9 Y13 F15 L27 Y28 A30 V39 I43 L86 V87L9-I41 HydrophobicContact CD1-CD1 4.37Å; L9-I41 HydrophobicContact CD1-CG2 3.99Å; Y13-I41 HydrophobicContact CD1-CD1 3.89Å; Y13-I41 HydrophobicContact CD2-CD1 4.32Å; Y13-I41 HydrophobicContact CG-CD1 3.76Å; F15-I41 HydrophobicContact CE1-CB 4.42Å; F15-I41 HydrophobicContact CE1-CD1 4.38Å; F15-I41 HydrophobicContact CE2-CD1 4.11Å; F15-I41 HydrophobicContact CZ-CB 4.39Å; F15-I41 HydrophobicContact CZ-CD1 3.79Å; F15-I41 HydrophobicContact CZ-CG2 4.17Å; L27-I41 WeakPolarHBondContact CA-O 3.35Å; Y28-I41 PolarHBondContact N-O 3.1Å; Y28-I41 PolarHBondContact O-N 3.12Å; A30-I41 HydrophobicContact CB-CD1 3.59Å; A30-I41 HydrophobicContact CB-CG1 4.14Å; V39-I41 HydrophobicContact CG2-CD1 4.28Å; V39-I41 HydrophobicContact CG2-CG1 4.12Å; I41-I43 HydrophobicContact CG2-CG1 4.04Å; I41-L86 CarbonylContact C-O 3.58Å; I41-L86 WeakPolarHBondContact CA-O 3.4Å; I41-V87 HydrophobicContact CD1-CG2 4.33Å; I41-V87 HydrophobicContact CG1-CG1 4.47Å; I41-V87 HydrophobicContact CG1-CG2 4.27Å
42K93.1Very high91.5Very high39 Ų3945.5 Ų45.517%0.1723%0.228CC..EExtended strand (participates in β ladder)trans-86.3107.5177.7-162.5-176.2-166.4-177.50108.1L27 L44 E59 Y85 L86 L88 D152L27-K42 HydrophobicContact CD1-CB 3.89Å; L27-K42 HydrophobicContact CD1-CG 4.39Å; K42-L44 HydrophobicContact CD-CD1 4.25Å; K42-L44 HydrophobicContact CG-CD1 4.31Å; K42-L44 HydrophobicContact CG-CD2 4.36Å; K42-L44 HydrophobicContact CG-CG 4.26Å; K42-E59 IonicContact NZ-OE1 3.26Å; K42-E59 PolarHBondContact NZ-OE1 2.7Å; K42-E59 IonicContact NZ-OE2 3.37Å; K42-E59 PolarHBondContact NZ-OE2 2.97Å; K42-Y85 WeakPolarHBondContact O-CA 3.49Å; K42-L86 HydrophobicContact CB-CB 4.21Å; K42-L86 HydrophobicContact CD-CD1 4.27Å; K42-L86 PolarHBondContact N-O 2.82Å; K42-L86 PolarHBondContact O-N 3.02Å; K42-L88 HydrophobicContact CB-CD1 3.82Å; K42-L88 HydrophobicContact CD-CD1 4.4Å; K42-D152 IonicContact NZ-OD1 3.31Å; K42-D152 PolarHBondContact NZ-OD1 3.15Å
43I93.6Very high90.8Very high23 Ų2347 Ų4712%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-101.3117.3-179.4-52.2-166.8000109.4P6 F15 G25 V26 Y28 I41 Y85P6-I43 HydrophobicContact CG-CD1 3.92Å; F15-I43 HydrophobicContact CE1-CD1 3.88Å; F15-I43 HydrophobicContact CZ-CD1 4.11Å; G25-I43 CarbonylContact C-O 3.5Å; G25-I43 WeakPolarHBondContact CA-O 3.43Å; V26-I43 PolarHBondContact N-O 3.23Å; V26-I43 PolarHBondContact O-N 2.71Å; Y28-I43 HydrophobicContact CD2-CD1 3.85Å; Y28-I43 HydrophobicContact CD2-CG1 4.18Å; Y28-I43 HydrophobicContact CE2-CD1 3.87Å; Y28-I43 HydrophobicContact CE2-CG1 4.39Å; I41-I43 HydrophobicContact CG2-CG1 4.04Å; I43-Y85 HydrophobicContact CB-CD1 4.28Å; I43-Y85 HydrophobicContact CD1-CD1 4.01Å; I43-Y85 HydrophobicContact CD1-CE1 4.1Å; I43-Y85 HydrophobicContact CG1-CD1 3.87Å; I43-Y85 HydrophobicContact CG1-CE1 4.31Å; I43-Y85 HydrophobicContact CG2-CD1 3.85Å; I43-Y85 HydrophobicContact CG2-CE1 3.64Å
44L91.4Very high90.2Very high11 Ų1152 Ų526%0.05826%0.256CS..EExtended strand (participates in β ladder)trans-121.5123.4-172.7-61.9163.7000110.7F24 K42 L49 V56 H83 Y84F24-L44 HydrophobicContact CB-CD2 4.07Å; K42-L44 HydrophobicContact CD-CD1 4.25Å; K42-L44 HydrophobicContact CG-CD1 4.31Å; K42-L44 HydrophobicContact CG-CD2 4.36Å; K42-L44 HydrophobicContact CG-CG 4.26Å; L44-L49 HydrophobicContact CB-CD1 4.4Å; L44-V56 HydrophobicContact CD1-CB 4.44Å; L44-V56 HydrophobicContact CD1-CG1 3.65Å; L44-V56 HydrophobicContact CD1-CG2 3.86Å; L44-H83 WeakPolarHBondContact O-CA 3.33Å; L44-Y84 PolarHBondContact N-O 3.21Å; L44-Y84 PolarHBondContact O-N 3.18Å
45D90.5Very high89.5Confident16 Ų1652.4 Ų52.49%0.08626%0.256CS..EExtended strand (participates in β ladder)trans-82.9117.2178.2-176.6-19.5000110.2F24 R47 K48 L49F24-D45 PolarHBondContact O-N 3.37Å; F24-D45 VanDerWaalsContact O-N 3.11Å; D45-R47 PolarHBondContact O-N 2.84Å; D45-R47 VanDerWaalsContact O-N 3.15Å; D45-R47 VanDerWaalsContact OD1-CB 3.28Å; D45-R47 WeakPolarHBondContact OD1-CB 3.44Å; D45-R47 WeakPolarHBondContact OD1-CG 3.44Å; D45-R47 IonicContact OD1-CZ 3.78Å; D45-R47 PolarHBondContact OD1-N 3.08Å; D45-R47 IonicContact OD1-NE 3.73Å; D45-R47 PolarHBondContact OD1-NE 2.95Å; D45-R47 IonicContact OD1-NH2 3.42Å; D45-R47 IonicContact OD2-CZ 3.45Å; D45-R47 IonicContact OD2-NE 2.66Å; D45-R47 PolarHBondContact OD2-NE 3.14Å; D45-R47 IonicContact OD2-NH2 3.97Å; D45-R47 PolarHBondContact OD2-NH2 3.04Å; D45-K48 HydrophobicContact CB-CB 4.22Å; D45-K48 HydrophobicContact CB-CD 4.01Å; D45-K48 HydrophobicContact CB-CG 3.9Å; D45-K48 WeakPolarHBondContact O-CB 3.35Å; D45-K48 PolarHBondContact O-N 3.46Å; D45-L49 PolarHBondContact O-N 2.94Å
46K91.6Very high89Confident50 Ų5052.3 Ų52.322%0.21726%0.255CS..Hα-helixtrans-58.9-28.9-178-73178.4161-173.70112.9L49 G50 E79 T80 Q81 T82 Y84K46-L49 PolarHBondContact O-N 3.12Å; K46-G50 PolarHBondContact O-N 2.92Å; K46-E79 VanDerWaalsContact NZ-CG 3.32Å; K46-E79 IonicContact NZ-OE1 2.95Å; K46-E79 PolarHBondContact NZ-OE1 3.33Å; K46-T80 VanDerWaalsContact CE-O 3.31Å; K46-T80 WeakPolarHBondContact CE-O 3.27Å; K46-T80 PolarHBondContact NZ-O 3.31Å; K46-Q81 WeakPolarHBondContact CD-O 3.31Å; K46-T82 WeakPolarHBondContact CB-O 3.45Å; K46-T82 PolarHBondContact N-O 3.09Å; K46-Y84 HydrophobicContact CD-CE2 4.28Å; K46-Y84 VanDerWaalsContact CE-CZ 3.47Å; K46-Y84 HydrophobicContact CG-CD2 3.9Å; K46-Y84 HydrophobicContact CG-CE2 3.74Å
47R89.8Confident88.6Confident185 Ų18551.6 Ų51.670%0.69826%0.256SS*.Hα-helixtrans-74.6-28.1178.8-52.9167.6-62.8170.46.3112D45D45-R47 PolarHBondContact O-N 2.84Å; D45-R47 VanDerWaalsContact O-N 3.15Å; D45-R47 VanDerWaalsContact OD1-CB 3.28Å; D45-R47 WeakPolarHBondContact OD1-CB 3.44Å; D45-R47 WeakPolarHBondContact OD1-CG 3.44Å; D45-R47 IonicContact OD1-CZ 3.78Å; D45-R47 PolarHBondContact OD1-N 3.08Å; D45-R47 IonicContact OD1-NE 3.73Å; D45-R47 PolarHBondContact OD1-NE 2.95Å; D45-R47 IonicContact OD1-NH2 3.42Å; D45-R47 IonicContact OD2-CZ 3.45Å; D45-R47 IonicContact OD2-NE 2.66Å; D45-R47 PolarHBondContact OD2-NE 3.14Å; D45-R47 IonicContact OD2-NH2 3.97Å; D45-R47 PolarHBondContact OD2-NH2 3.04Å
48K86.2Confident88.1Confident113 Ų11350.1 Ų50.149%0.49126%0.255SS..Hα-helixtrans-78.8-29.4174-65.4-174.8-176-178.70112.6F24 D45F24-K48 HydrophobicContact CD1-CB 4.43Å; F24-K48 WeakPolarHBondContact CD1-O 3.41Å; D45-K48 HydrophobicContact CB-CB 4.22Å; D45-K48 HydrophobicContact CB-CD 4.01Å; D45-K48 HydrophobicContact CB-CG 3.9Å; D45-K48 WeakPolarHBondContact O-CB 3.35Å; D45-K48 PolarHBondContact O-N 3.46Å
49L82.8Confident87.8Confident6 Ų645.1 Ų45.13%0.03123%0.233CC..Hα-helixtrans-68.1-46.6-180-73169000112.3F24 L44 D45 K46 S51 D52 A53 V56 Y84F24-L49 HydrophobicContact CB-CD2 3.71Å; F24-L49 HydrophobicContact CB-CG 4.27Å; F24-L49 HydrophobicContact CD1-CD2 4.05Å; F24-L49 HydrophobicContact CD2-CD2 3.84Å; F24-L49 HydrophobicContact CE2-CD2 4.48Å; F24-L49 HydrophobicContact CG-CD2 3.59Å; F24-L49 HydrophobicContact CG-CG 4.45Å; L44-L49 HydrophobicContact CB-CD1 4.4Å; D45-L49 PolarHBondContact O-N 2.94Å; K46-L49 PolarHBondContact O-N 3.12Å; L49-S51 PolarHBondContact O-N 3.4Å; L49-S51 VanDerWaalsContact O-N 3.12Å; L49-D52 WeakPolarHBondContact O-CB 3.34Å; L49-D52 PolarHBondContact O-N 3.46Å; L49-A53 HydrophobicContact CB-CB 4.12Å; L49-V56 HydrophobicContact CD1-CB 4.44Å; L49-V56 HydrophobicContact CD1-CG2 3.72Å; L49-V56 HydrophobicContact CD2-CG2 3.62Å; L49-V56 HydrophobicContact CG-CG2 4.36Å; L49-Y84 HydrophobicContact CD1-CD2 3.91Å; L49-Y84 HydrophobicContact CD1-CE2 3.84Å
50G83.2Confident87.5Confident53 Ų5345.8 Ų45.855%0.54624%0.237SC..G310 helixtrans52.5-119.6-178.200000112K46 D52 A53K46-G50 PolarHBondContact O-N 2.92Å; G50-D52 VanDerWaalsContact C-N 3.3Å; G50-D52 PolarHBondContact O-N 3.34Å; G50-A53 WeakPolarHBondContact O-CB 3.07Å; G50-A53 PolarHBondContact O-N 2.99Å
51S77.7Confident87.3Confident102 Ų10249.9 Ų49.971%0.71326%0.255SS*.G310 helixtrans-69.2-19.417751.20000114.6L49 A53 Y54L49-S51 PolarHBondContact O-N 3.4Å; L49-S51 VanDerWaalsContact O-N 3.12Å; S51-A53 PolarHBondContact O-N 3.47Å; S51-Y54 WeakPolarHBondContact O-CD1 3.46Å; S51-Y54 WeakPolarHBondContact O-CE1 3.35Å
52D78.8Confident87.1Confident19 Ų1949.9 Ų49.910%0.10226%0.255CS..G310 helixtrans-80.11.2175.3-80.3-43000113.2F24 L49 G50 Y54 R55F24-D52 HydrophobicContact CE1-CB 4.49Å; F24-D52 HydrophobicContact CE2-CB 4.45Å; F24-D52 HydrophobicContact CZ-CB 4.02Å; F24-D52 WeakPolarHBondContact CZ-OD2 3.17Å; L49-D52 WeakPolarHBondContact O-CB 3.34Å; L49-D52 PolarHBondContact O-N 3.46Å; G50-D52 VanDerWaalsContact C-N 3.3Å; G50-D52 PolarHBondContact O-N 3.34Å; D52-Y54 PolarHBondContact O-N 3.44Å; D52-Y54 VanDerWaalsContact O-N 3.11Å; D52-R55 VanDerWaalsContact O-CB 3.31Å; D52-R55 WeakPolarHBondContact O-CB 3.38Å; D52-R55 PolarHBondContact O-N 3.19Å; D52-R55 WeakPolarHBondContact OD1-CD 3.02Å; D52-R55 IonicContact OD1-CZ 3.35Å; D52-R55 IonicContact OD1-NE 3.93Å; D52-R55 PolarHBondContact OD1-NE 2.83Å; D52-R55 IonicContact OD1-NH1 3.6Å; D52-R55 PolarHBondContact OD1-NH1 3.34Å; D52-R55 IonicContact OD2-NH1 3.98Å
53A82.7Confident87Confident31 Ų3148.3 Ų48.326%0.25625%0.248SC..Hα-helixtrans-60.7-21.9-179.200000114.6L49 G50 S51 R55L49-A53 HydrophobicContact CB-CB 4.12Å; G50-A53 WeakPolarHBondContact O-CB 3.07Å; G50-A53 PolarHBondContact O-N 2.99Å; S51-A53 PolarHBondContact O-N 3.47Å; A53-R55 VanDerWaalsContact C-N 3.32Å
54Y81.7Confident87Confident122 Ų12250.8 Ų50.848%0.47826%0.258SS..Hα-helixtrans-67.8-31.5173.274.3-90.4000112.3S51 D52 V56 K57 G58S51-Y54 WeakPolarHBondContact O-CD1 3.46Å; S51-Y54 WeakPolarHBondContact O-CE1 3.35Å; D52-Y54 PolarHBondContact O-N 3.44Å; D52-Y54 VanDerWaalsContact O-N 3.11Å; Y54-V56 VanDerWaalsContact C-N 3.34Å; Y54-V56 PolarHBondContact O-N 3.36Å; Y54-K57 PolarHBondContact O-N 2.97Å; Y54-G58 PolarHBondContact O-N 3.15Å
55R80.9Confident86.9Confident25 Ų2552.4 Ų52.49%0.09427%0.265CS..Hα-helixtrans-62.9-41.7-178.5-65.9-176.6162.9163.9-15.3111.6D52 A53 G58 E59 G154 L155 T167D52-R55 VanDerWaalsContact O-CB 3.31Å; D52-R55 WeakPolarHBondContact O-CB 3.38Å; D52-R55 PolarHBondContact O-N 3.19Å; D52-R55 WeakPolarHBondContact OD1-CD 3.02Å; D52-R55 IonicContact OD1-CZ 3.35Å; D52-R55 IonicContact OD1-NE 3.93Å; D52-R55 PolarHBondContact OD1-NE 2.83Å; D52-R55 IonicContact OD1-NH1 3.6Å; D52-R55 PolarHBondContact OD1-NH1 3.34Å; D52-R55 IonicContact OD2-NH1 3.98Å; A53-R55 VanDerWaalsContact C-N 3.32Å; R55-G58 PolarHBondContact O-N 2.95Å; R55-E59 PolarHBondContact O-N 3.33Å; R55-G154 WeakPolarHBondContact CA-O 3.26Å; R55-G154 VanDerWaalsContact CB-O 3.23Å; R55-G154 WeakPolarHBondContact CB-O 3.45Å; R55-G154 WeakPolarHBondContact CG-O 3.38Å; R55-L155 HydrophobicContact CG-CD2 4.46Å; R55-L155 VanDerWaalsContact NE-CD2 3.27Å; R55-T167 PolarHBondContact NH2-O 3.49Å; R55-T167 PolarHBondContact NH2-OG1 2.79Å
56V86.6Confident86.9Confident7 Ų752.2 Ų52.24%0.04226%0.264CS..Hα-helixtrans-66.9-37.7176.8-177.10000111.4L44 L49 Y54 I60 Y84L44-V56 HydrophobicContact CD1-CB 4.44Å; L44-V56 HydrophobicContact CD1-CG1 3.65Å; L44-V56 HydrophobicContact CD1-CG2 3.86Å; L49-V56 HydrophobicContact CD1-CB 4.44Å; L49-V56 HydrophobicContact CD1-CG2 3.72Å; L49-V56 HydrophobicContact CD2-CG2 3.62Å; L49-V56 HydrophobicContact CG-CG2 4.36Å; Y54-V56 VanDerWaalsContact C-N 3.34Å; Y54-V56 PolarHBondContact O-N 3.36Å; V56-I60 HydrophobicContact CG1-CD1 4.16Å; V56-I60 WeakPolarHBondContact O-CD1 3.34Å; V56-I60 WeakPolarHBondContact O-CG1 3.22Å; V56-I60 PolarHBondContact O-N 2.65Å; V56-Y84 HydrophobicContact CB-CE2 4.46Å; V56-Y84 HydrophobicContact CG1-CD2 3.84Å; V56-Y84 HydrophobicContact CG1-CE2 4.15Å; V56-Y84 HydrophobicContact CG1-CG 4.06Å
57K88Confident86.8Confident113 Ų11351.8 Ų51.849%0.49126%0.264SS..Hα-helixtrans-68.4-35.5173.4-66-164.2175.3-163.10112.1Y54 E61 Y84Y54-K57 PolarHBondContact O-N 2.97Å; K57-E61 WeakPolarHBondContact O-CB 3.47Å; K57-E61 PolarHBondContact O-N 2.56Å; K57-Y84 WeakPolarHBondContact CE-OH 3.37Å
58G86.2Confident86.9Confident23 Ų2343.2 Ų43.224%0.23723%0.232CC..Hα-helixtrans-64-47.4171.800000113.1Y54 R55 I60 E61 A62Y54-G58 PolarHBondContact O-N 3.15Å; R55-G58 PolarHBondContact O-N 2.95Å; G58-I60 PolarHBondContact O-N 2.77Å; G58-E61 PolarHBondContact O-N 3.22Å; G58-A62 WeakPolarHBondContact O-CB 3.23Å; G58-A62 PolarHBondContact O-N 3.13Å
59E89.3Confident87.2Confident4 Ų442.1 Ų42.12%0.01923%0.228CC..Hα-helixtrans-55.5-49.3174.7-176-175.5-177.400111K42 R55 L63 Y72 F153K42-E59 IonicContact NZ-OE1 3.26Å; K42-E59 PolarHBondContact NZ-OE1 2.7Å; K42-E59 IonicContact NZ-OE2 3.37Å; K42-E59 PolarHBondContact NZ-OE2 2.97Å; R55-E59 PolarHBondContact O-N 3.33Å; E59-L63 HydrophobicContact CG-CD1 3.97Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 VanDerWaalsContact O-CG 3.26Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 2.97Å; E59-L63 VanDerWaalsContact O-N 3.11Å; E59-Y72 PolarHBondContact OE1-OH 2.88Å; E59-F153 HydrophobicContact CG-CB 4.36Å
60I92.2Very high87.8Confident14 Ų1443.7 Ų43.77%0.07223%0.233CC..Hα-helixtrans-58.9-50176.4-68.1161.5000111.1V56 G58 L63 K64 V77 Y84 L86V56-I60 HydrophobicContact CG1-CD1 4.16Å; V56-I60 WeakPolarHBondContact O-CD1 3.34Å; V56-I60 WeakPolarHBondContact O-CG1 3.22Å; V56-I60 PolarHBondContact O-N 2.65Å; G58-I60 PolarHBondContact O-N 2.77Å; I60-L63 PolarHBondContact O-N 2.95Å; I60-K64 HydrophobicContact CG2-CD 4.14Å; I60-K64 WeakPolarHBondContact O-CG 3.29Å; I60-K64 PolarHBondContact O-N 3.05Å; I60-V77 HydrophobicContact CD1-CG1 4.09Å; I60-V77 HydrophobicContact CG1-CG2 4.4Å; I60-V77 HydrophobicContact CG2-CG2 3.94Å; I60-Y84 HydrophobicContact CD1-CD1 4.43Å; I60-L86 HydrophobicContact CD1-CD2 3.84Å; I60-L86 HydrophobicContact CG1-CD1 4.23Å; I60-L86 HydrophobicContact CG1-CD2 3.68Å
61E91.2Very high88.4Confident91 Ų9141.3 Ų41.343%0.42521%0.208SC..Hα-helixtrans-71.7-33.6-172.6-169.454.6-146.300112.7K57 G58 K64 Q65K57-E61 WeakPolarHBondContact O-CB 3.47Å; K57-E61 PolarHBondContact O-N 2.56Å; G58-E61 PolarHBondContact O-N 3.22Å; E61-K64 PolarHBondContact O-N 3.14Å; E61-Q65 WeakPolarHBondContact O-CG 3.35Å; E61-Q65 PolarHBondContact O-N 3.37Å; E61-Q65 PolarHBondContact OE1-NE2 2.85Å
62A90.5Very high89.2Confident1 Ų137.3 Ų37.31%0.00818%0.177CC..Hα-helixtrans-62.2-50.2170.200000111G58 K64 Q65 L66 F130 F153 C156G58-A62 WeakPolarHBondContact O-CB 3.23Å; G58-A62 PolarHBondContact O-N 3.13Å; A62-K64 PolarHBondContact O-N 3Å; A62-Q65 PolarHBondContact O-N 2.79Å; A62-L66 HydrophobicContact CB-CD1 4.16Å; A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 VanDerWaalsContact O-CG 3.26Å; A62-L66 WeakPolarHBondContact O-CG 3.48Å; A62-L66 PolarHBondContact O-N 3.13Å; A62-F130 HydrophobicContact CB-CD1 4.48Å; A62-F130 HydrophobicContact CB-CE1 4.13Å; A62-F153 HydrophobicContact CB-CB 4.17Å; A62-F153 HydrophobicContact CB-CD1 4.12Å; A62-F153 HydrophobicContact CB-CG 4.49Å; A62-C156 HydrophobicContact CB-CB 4.25Å
63L92.7Very high89.9Confident5 Ų537.7 Ų37.73%0.02618%0.178CC..Hα-helixtrans-70.7-11.2-178.9-65.1170.7000114.4E59 I60 I71 Y72 L74 F153E59-L63 HydrophobicContact CG-CD1 3.97Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 VanDerWaalsContact O-CG 3.26Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 2.97Å; E59-L63 VanDerWaalsContact O-N 3.11Å; I60-L63 PolarHBondContact O-N 2.95Å; L63-I71 HydrophobicContact CD2-CG2 4.18Å; L63-Y72 HydrophobicContact CD1-CE1 3.74Å; L63-Y72 HydrophobicContact CD2-CD1 3.94Å; L63-Y72 HydrophobicContact CD2-CE1 3.57Å; L63-Y72 HydrophobicContact CG-CE1 4.27Å; L63-L74 HydrophobicContact CB-CB 3.84Å; L63-L74 HydrophobicContact CB-CD2 3.86Å; L63-L74 HydrophobicContact CB-CG 4.49Å; L63-L74 HydrophobicContact CD1-CB 4.39Å; L63-F153 HydrophobicContact CD2-CD2 3.94Å; L63-F153 HydrophobicContact CD2-CE2 4.11Å; L63-F153 HydrophobicContact CD2-CG 4.33Å
64K92.3Very high90.5Very high75 Ų7536.4 Ų36.433%0.32617%0.167SC..Hα-helixtrans-83.1-21.8166.9-74-176.2174.1-172.50113.8I60 E61 A62 L74 Y312I60-K64 HydrophobicContact CG2-CD 4.14Å; I60-K64 WeakPolarHBondContact O-CG 3.29Å; I60-K64 PolarHBondContact O-N 3.05Å; E61-K64 PolarHBondContact O-N 3.14Å; A62-K64 PolarHBondContact O-N 3Å; K64-L74 HydrophobicContact CG-CD2 4.34Å; K64-Y312 HydrophobicContact CB-CE2 4.21Å; K64-Y312 HydrophobicContact CD-CD2 4.1Å; K64-Y312 HydrophobicContact CD-CE2 4.2Å; K64-Y312 HydrophobicContact CG-CD2 3.89Å; K64-Y312 HydrophobicContact CG-CE1 4.4Å; K64-Y312 HydrophobicContact CG-CE2 3.63Å; K64-Y312 HydrophobicContact CG-CG 4.45Å
65Q89.7Confident91.3Very high45 Ų4531.2 Ų31.221%0.2115%0.147CC..Hα-helixtrans-107.3-12.8-175.3-65.7-174.536.900114.3E61 A62 R128 F130E61-Q65 WeakPolarHBondContact O-CG 3.35Å; E61-Q65 PolarHBondContact O-N 3.37Å; E61-Q65 PolarHBondContact OE1-NE2 2.85Å; A62-Q65 PolarHBondContact O-N 2.79Å; Q65-R128 PolarHBondContact O-NE 3.48Å; Q65-R128 PolarHBondContact O-NH2 2.84Å; Q65-F130 HydrophobicContact CB-CE2 4.02Å; Q65-F130 HydrophobicContact CB-CZ 4.09Å; Q65-F130 HydrophobicContact CG-CZ 4.49Å
66L90.6Very high92.1Very high12 Ų1230.6 Ų30.66%0.06315%0.145CC..  trans-109128.6-179.1-61.5171000110.5A62 I71 Y124 I125 R128 F130 F153A62-L66 HydrophobicContact CB-CD1 4.16Å; A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 VanDerWaalsContact O-CG 3.26Å; A62-L66 WeakPolarHBondContact O-CG 3.48Å; A62-L66 PolarHBondContact O-N 3.13Å; L66-I71 HydrophobicContact CB-CD1 4.4Å; L66-Y124 HydrophobicContact CB-CE1 4.05Å; L66-Y124 HydrophobicContact CD2-CD1 4.03Å; L66-Y124 HydrophobicContact CD2-CE1 3.63Å; L66-Y124 HydrophobicContact CG-CE1 4.47Å; L66-I125 HydrophobicContact CD1-CG1 4.14Å; L66-I125 HydrophobicContact CD2-CG1 4.25Å; L66-R128 HydrophobicContact CD2-CB 3.77Å; L66-R128 HydrophobicContact CD2-CG 3.92Å; L66-F130 HydrophobicContact CD2-CD2 4.14Å; L66-F153 HydrophobicContact CD1-CD1 3.81Å; L66-F153 HydrophobicContact CD1-CE1 3.43Å; L66-F153 VanDerWaalsContact CD1-CE1 3.43Å; L66-F153 HydrophobicContact CD1-CZ 4.32Å
67N89.3Confident92.6Very high41 Ų4131.8 Ų31.822%0.21915%0.152CC..  trans-145.3101.1179178.743.4000109Y124 K278N67-Y124 PolarHBondContact N-OH 3.07Å; N67-Y124 PolarHBondContact O-OH 3.32Å; N67-Y124 VanDerWaalsContact O-OH 3.08Å; N67-K278 PolarHBondContact ND2-O 3.17Å
68H92.7Very high93.1Very high6 Ų627.6 Ų27.63%0.02814%0.136CC..  trans-152.9142.2-169.4-176.4-93.5000109.8Y70 I71 S120 A121 Y124 L274 D275H68-Y70 AromaticContact CE1-CD2 3.8Å; H68-Y70 PolarHBondContact ND1-N 2.91Å; H68-Y70 PolarHBondContact O-N 2.96Å; H68-Y70 VanDerWaalsContact O-N 3.14Å; H68-I71 HydrophobicContact CB-CB 4.34Å; H68-I71 HydrophobicContact CB-CD1 3.83Å; H68-I71 HydrophobicContact CB-CG1 4.01Å; H68-I71 PolarHBondContact O-N 2.94Å; H68-S120 PolarHBondContact CE1-OG 3.24Å; H68-S120 VanDerWaalsContact CE1-OG 3.27Å; H68-S120 PolarHBondContact NE2-OG 2.69Å; H68-A121 VanDerWaalsContact CE1-CA 3.47Å; H68-A121 WeakPolarHBondContact CE1-CA 3.27Å; H68-A121 PolarHBondContact CE1-N 3.36Å; H68-Y124 HydrophobicContact CB-CD1 3.74Å; H68-Y124 HydrophobicContact CB-CE1 3.86Å; H68-Y124 HydrophobicContact CB-CG 4.08Å; H68-Y124 AromaticContact CD2-CD2 3.84Å; H68-Y124 AromaticContact CD2-CG 3.61Å; H68-L274 PolarHBondContact CD2-O 3.2Å; H68-L274 VanDerWaalsContact CD2-O 3.26Å; H68-L274 PolarHBondContact NE2-O 2.89Å; H68-D275 IonicContact NE2-OD2 2.71Å
69K92.2Very high93.5Very high90 Ų9031.3 Ų31.339%0.39115%0.147SC..THydrogen-bonded Turntrans-61.1-29-171.570-171.5173.3-125.20114.2R149 D275K69-R149 VanDerWaalsContact O-CD 3.25Å; K69-R149 WeakPolarHBondContact O-CD 3.4Å; K69-R149 PolarHBondContact O-NE 2.85Å; K69-D275 WeakPolarHBondContact CD-OD2 3.36Å; K69-D275 WeakPolarHBondContact CE-OD2 3.44Å; K69-D275 VanDerWaalsContact CG-OD2 3.24Å; K69-D275 WeakPolarHBondContact CG-OD2 3.43Å; K69-D275 IonicContact NZ-OD1 2.66Å; K69-D275 PolarHBondContact NZ-OD1 3.46Å; K69-D275 IonicContact NZ-OD2 3.69Å; K69-D275 PolarHBondContact NZ-OD2 3.03Å
70Y95.7Very high93.7Very high38 Ų3833 Ų3315%0.14916%0.157CC..THydrogen-bonded Turntrans-98.422178.1-55.5-46.2000114.1H68 Q117 N147 V148 R149 I150H68-Y70 AromaticContact CE1-CD2 3.8Å; H68-Y70 PolarHBondContact ND1-N 2.91Å; H68-Y70 PolarHBondContact O-N 2.96Å; H68-Y70 VanDerWaalsContact O-N 3.14Å; Y70-Q117 HydrophobicContact CD1-CB 4.16Å; Y70-Q117 HydrophobicContact CD1-CG 4.42Å; Y70-Q117 HydrophobicContact CD2-CB 3.68Å; Y70-Q117 HydrophobicContact CD2-CG 4.21Å; Y70-Q117 WeakPolarHBondContact CD2-O 3.37Å; Y70-Q117 HydrophobicContact CE1-CB 4.11Å; Y70-Q117 HydrophobicContact CE1-CG 3.87Å; Y70-Q117 HydrophobicContact CE2-CB 3.62Å; Y70-Q117 HydrophobicContact CE2-CG 3.63Å; Y70-Q117 HydrophobicContact CG-CB 3.98Å; Y70-Q117 VanDerWaalsContact CZ-CG 3.44Å; Y70-Q117 PolarHBondContact OH-NE2 3.24Å; Y70-N147 HydrophobicContact CD1-CB 4.37Å; Y70-N147 HydrophobicContact CE1-CB 4.02Å; Y70-V148 WeakPolarHBondContact CA-O 3.41Å; Y70-V148 WeakPolarHBondContact CB-O 3.45Å; Y70-V148 WeakPolarHBondContact CD1-O 3.42Å; Y70-V148 HydrophobicContact CG-CG2 4.44Å; Y70-R149 WeakPolarHBondContact O-CA 3.46Å; Y70-I150 PolarHBondContact O-N 2.83Å
71I95Very high93.8Very high4 Ų441.3 Ų41.32%0.02120%0.196CC..BIsolated β-bridgetrans-123.1136.2171.3-61.6178.1000108.1L63 L66 H68 A121 Y124 I125 F153L63-I71 HydrophobicContact CD2-CG2 4.18Å; L66-I71 HydrophobicContact CB-CD1 4.4Å; H68-I71 HydrophobicContact CB-CB 4.34Å; H68-I71 HydrophobicContact CB-CD1 3.83Å; H68-I71 HydrophobicContact CB-CG1 4.01Å; H68-I71 PolarHBondContact O-N 2.94Å; I71-A121 HydrophobicContact CG1-CB 4.19Å; I71-Y124 HydrophobicContact CD1-CD1 4Å; I71-Y124 HydrophobicContact CD1-CE1 4.39Å; I71-I125 HydrophobicContact CD1-CD1 3.83Å; I71-I125 HydrophobicContact CD1-CG1 3.7Å; I71-F153 HydrophobicContact CD1-CZ 4.25Å; I71-F153 HydrophobicContact CG1-CZ 4.38Å; I71-F153 HydrophobicContact CG2-CE2 3.87Å; I71-F153 HydrophobicContact CG2-CZ 3.64Å
72Y94.5Very high93.8Very high17 Ų1740.1 Ų40.17%0.06720%0.195CC..PPolyproline II helixtrans-64.5139.9178.779.4-42.6000113.5E59 L63 L88 E89 I150 I151 D152 F153E59-Y72 PolarHBondContact OE1-OH 2.88Å; L63-Y72 HydrophobicContact CD1-CE1 3.74Å; L63-Y72 HydrophobicContact CD2-CD1 3.94Å; L63-Y72 HydrophobicContact CD2-CE1 3.57Å; L63-Y72 HydrophobicContact CG-CE1 4.27Å; Y72-L88 HydrophobicContact CD2-CB 4.47Å; Y72-L88 HydrophobicContact CD2-CD2 4.27Å; Y72-L88 HydrophobicContact CE2-CD1 4.04Å; Y72-L88 HydrophobicContact CE2-CD2 3.79Å; Y72-L88 HydrophobicContact CE2-CG 4.34Å; Y72-E89 VanDerWaalsContact CA-OE2 3.24Å; Y72-E89 WeakPolarHBondContact CA-OE2 3.31Å; Y72-I150 WeakPolarHBondContact CD1-O 3.42Å; Y72-I150 PolarHBondContact N-O 3.32Å; Y72-I151 HydrophobicContact CD1-CB 4.25Å; Y72-I151 HydrophobicContact CD1-CG2 3.95Å; Y72-I151 HydrophobicContact CD2-CB 4.43Å; Y72-I151 HydrophobicContact CD2-CG2 3.86Å; Y72-I151 HydrophobicContact CE1-CB 4.14Å; Y72-I151 HydrophobicContact CE1-CG2 4.32Å; Y72-I151 HydrophobicContact CE2-CB 4.32Å; Y72-I151 HydrophobicContact CE2-CG2 4.25Å; Y72-I151 HydrophobicContact CG-CB 4.39Å; Y72-I151 HydrophobicContact CG-CG2 3.69Å; Y72-D152 PolarHBondContact OH-N 2.81Å; Y72-F153 HydrophobicContact CD1-CE2 4.22Å; Y72-F153 AromaticContact CE1-CD2 3.73Å; Y72-F153 HydrophobicContact CE1-CD2 3.73Å; Y72-F153 AromaticContact CE1-CE2 3.86Å; Y72-F153 HydrophobicContact CE1-CE2 3.86Å
73K94Very high94Very high27 Ų2742 Ų4212%0.11720%0.204CC..PPolyproline II helixtrans-82.2133.9-176-62.2168.8178.6176.50112.5Y75 L88 E89 S324 E328K73-Y75 HydrophobicContact CB-CD1 4.38Å; K73-Y75 HydrophobicContact CB-CE1 3.78Å; K73-Y75 HydrophobicContact CD-CE1 4.14Å; K73-L88 CarbonylContact O-C 3.5Å; K73-L88 WeakPolarHBondContact O-CA 3.27Å; K73-E89 HydrophobicContact CB-CB 4.18Å; K73-E89 PolarHBondContact N-OE2 3.4Å; K73-E89 PolarHBondContact O-N 3.1Å; K73-S324 WeakPolarHBondContact CD-OG 3.48Å; K73-S324 VanDerWaalsContact NZ-CB 3.29Å; K73-S324 PolarHBondContact NZ-OG 2.96Å; K73-E328 IonicContact NZ-OE1 3.51Å; K73-E328 PolarHBondContact NZ-OE1 3.2Å
74L96Very high94.1Very high4 Ų442.2 Ų42.22%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-90.6123.4164.2175.366.6000109.2L63 K64 V77 L86 L88 Y312 M320L63-L74 HydrophobicContact CB-CB 3.84Å; L63-L74 HydrophobicContact CB-CD2 3.86Å; L63-L74 HydrophobicContact CB-CG 4.49Å; L63-L74 HydrophobicContact CD1-CB 4.39Å; K64-L74 HydrophobicContact CG-CD2 4.34Å; L74-V77 HydrophobicContact CD1-CG2 4.16Å; L74-V77 HydrophobicContact CD2-CG2 3.89Å; L74-V77 HydrophobicContact CG-CG2 4.38Å; L74-L86 HydrophobicContact CD1-CB 4.22Å; L74-L88 HydrophobicContact CB-CD2 4.35Å; L74-L88 HydrophobicContact CD1-CD2 3.71Å; L74-Y312 HydrophobicContact CB-CE1 4.37Å; L74-Y312 HydrophobicContact CD2-CD1 4.11Å; L74-Y312 HydrophobicContact CD2-CE1 4.25Å; L74-Y312 HydrophobicContact CG-CD1 3.95Å; L74-Y312 HydrophobicContact CG-CE1 4.17Å; L74-Y312 VanDerWaalsContact O-CE1 3.3Å; L74-Y312 WeakPolarHBondContact O-CE1 3.23Å; L74-M320 WeakPolarHBondContact O-CE 3.4Å
75Y97.4Very high94.3Very high14 Ų1439.5 Ų39.56%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-102.1-42.9-179-63.4-48000113.1V39 K73 V87 E89 A317 M320 I321 S324V39-Y75 HydrophobicContact CG1-CD2 4.07Å; V39-Y75 HydrophobicContact CG1-CE2 4.35Å; K73-Y75 HydrophobicContact CB-CD1 4.38Å; K73-Y75 HydrophobicContact CB-CE1 3.78Å; K73-Y75 HydrophobicContact CD-CE1 4.14Å; Y75-V87 PolarHBondContact N-O 2.83Å; Y75-E89 HydrophobicContact CE2-CB 4.3Å; Y75-A317 WeakPolarHBondContact O-CA 3.41Å; Y75-A317 WeakPolarHBondContact O-CB 3.48Å; Y75-M320 HydrophobicContact CD1-CB 3.63Å; Y75-M320 HydrophobicContact CD1-CE 4.22Å; Y75-M320 HydrophobicContact CE1-CB 3.97Å; Y75-I321 HydrophobicContact CD1-CG1 3.96Å; Y75-I321 HydrophobicContact CD2-CD1 4.09Å; Y75-I321 HydrophobicContact CD2-CG1 3.72Å; Y75-I321 HydrophobicContact CE1-CG1 4.04Å; Y75-I321 HydrophobicContact CE2-CG1 3.8Å; Y75-I321 HydrophobicContact CG-CD1 4.26Å; Y75-I321 HydrophobicContact CG-CG1 3.8Å; Y75-S324 PolarHBondContact OH-OG 3.27Å
76Q98Very high94.6Very high12 Ų1237.4 Ų37.46%0.05618%0.182CC..EExtended strand (participates in β ladder)trans-141.6145.4-179.6-155.6-177.7-7.900111.9Y13 V78 V87 Y312 A317Y13-Q76 VanDerWaalsContact CE2-OE1 3.29Å; Y13-Q76 PolarHBondContact OH-OE1 3.42Å; Q76-V78 HydrophobicContact CG-CG2 4.14Å; Q76-V78 VanDerWaalsContact NE2-CG2 3.29Å; Q76-V87 HydrophobicContact CB-CB 3.71Å; Q76-V87 HydrophobicContact CB-CG2 3.79Å; Q76-V87 PolarHBondContact N-O 3.31Å; Q76-V87 PolarHBondContact O-N 2.98Å; Q76-Y312 WeakPolarHBondContact CA-O 3.1Å; Q76-Y312 WeakPolarHBondContact CG-O 3.45Å; Q76-A317 HydrophobicContact CB-CB 4Å; Q76-A317 HydrophobicContact CG-CB 4.45Å
77V97.6Very high94.9Very high31 Ų3136.8 Ų36.819%0.18818%0.179CC..EExtended strand (participates in β ladder)trans-116.6124.6162.8-176.40000108.2I60 L74 L86 Y312I60-V77 HydrophobicContact CD1-CG1 4.09Å; I60-V77 HydrophobicContact CG1-CG2 4.4Å; I60-V77 HydrophobicContact CG2-CG2 3.94Å; L74-V77 HydrophobicContact CD1-CG2 4.16Å; L74-V77 HydrophobicContact CD2-CG2 3.89Å; L74-V77 HydrophobicContact CG-CG2 4.38Å; V77-L86 HydrophobicContact CG1-CD2 4.06Å; V77-L86 HydrophobicContact CG2-CD2 4.22Å; V77-Y312 PolarHBondContact N-O 2.85Å
78V97.3Very high95.2Very high25 Ų2535.1 Ų35.115%0.15217%0.17CC..EExtended strand (participates in β ladder)trans-117.4115.7167.5-175.50000108.4A8 L9 Q76 Y85A8-V78 HydrophobicContact CB-CG1 4.08Å; L9-V78 HydrophobicContact CD2-CB 4.5Å; L9-V78 HydrophobicContact CD2-CG2 3.95Å; Q76-V78 HydrophobicContact CG-CG2 4.14Å; Q76-V78 VanDerWaalsContact NE2-CG2 3.29Å; V78-Y85 HydrophobicContact CB-CD2 4.14Å; V78-Y85 HydrophobicContact CG1-CD2 4.2Å; V78-Y85 PolarHBondContact N-O 3.35Å; V78-Y85 PolarHBondContact O-N 3.32Å
79E95.2Very high95.4Very high102 Ų10235.5 Ų35.548%0.47717%0.172SC..EExtended strand (participates in β ladder)trans-101.9134.8174.3-174.1168.2175.200110K46 Y84K46-E79 VanDerWaalsContact NZ-CG 3.32Å; K46-E79 IonicContact NZ-OE1 2.95Å; K46-E79 PolarHBondContact NZ-OE1 3.33Å; E79-Y84 HydrophobicContact CB-CD1 4.22Å; E79-Y84 HydrophobicContact CG-CD1 3.86Å; E79-Y84 HydrophobicContact CG-CE1 3.8Å
80T94.6Very high95.5Very high38 Ų3833.8 Ų33.823%0.23316%0.163CC..  trans-127.7171.7173.461.30000109.4A8 K46 T82 H83 Y85A8-T80 HydrophobicContact CB-CG2 3.93Å; K46-T80 VanDerWaalsContact CE-O 3.31Å; K46-T80 WeakPolarHBondContact CE-O 3.27Å; K46-T80 PolarHBondContact NZ-O 3.31Å; T80-T82 PolarHBondContact O-N 3.4Å; T80-H83 PolarHBondContact N-O 2.97Å; T80-H83 PolarHBondContact OG1-N 3.34Å; T80-H83 PolarHBondContact OG1-O 3.41Å; T80-Y85 HydrophobicContact CG2-CD2 4.48Å; T80-Y85 HydrophobicContact CG2-CE2 3.83Å
81Q92.9Very high95.3Very high190 Ų19033 Ų3389%0.88816%0.162SC*.SBendtrans-56.9-32.6175.8-67.4178.6-3.100112.9K46K46-Q81 WeakPolarHBondContact CD-O 3.31Å
82T92.5Very high94.9Very high66 Ų6635.4 Ų35.441%0.40518%0.177SC..SBendtrans-108.9-23.8-173.655.50000115.2K46 T80K46-T82 WeakPolarHBondContact CB-O 3.45Å; K46-T82 PolarHBondContact N-O 3.09Å; T80-T82 PolarHBondContact O-N 3.4Å
83H93.9Very high94.5Very high41 Ų4136.5 Ų36.519%0.1919%0.193CC..EExtended strand (participates in β ladder)trans-139.1153.2-174-66.380.9000113.2L44 T80 Y85L44-H83 WeakPolarHBondContact O-CA 3.33Å; T80-H83 PolarHBondContact N-O 2.97Å; T80-H83 PolarHBondContact OG1-N 3.34Å; T80-H83 PolarHBondContact OG1-O 3.41Å; H83-Y85 HydrophobicContact CB-CD2 4.42Å; H83-Y85 HydrophobicContact CB-CE1 4.32Å; H83-Y85 HydrophobicContact CB-CE2 3.72Å
84Y94.5Very high94.3Very high9 Ų936.7 Ų36.74%0.03520%0.204CC..EExtended strand (participates in β ladder)trans-100142.3154-56.8-84.8000109.2L44 K46 L49 V56 K57 I60 E79L44-Y84 PolarHBondContact N-O 3.21Å; L44-Y84 PolarHBondContact O-N 3.18Å; K46-Y84 HydrophobicContact CD-CE2 4.28Å; K46-Y84 VanDerWaalsContact CE-CZ 3.47Å; K46-Y84 HydrophobicContact CG-CD2 3.9Å; K46-Y84 HydrophobicContact CG-CE2 3.74Å; L49-Y84 HydrophobicContact CD1-CD2 3.91Å; L49-Y84 HydrophobicContact CD1-CE2 3.84Å; V56-Y84 HydrophobicContact CB-CE2 4.46Å; V56-Y84 HydrophobicContact CG1-CD2 3.84Å; V56-Y84 HydrophobicContact CG1-CE2 4.15Å; V56-Y84 HydrophobicContact CG1-CG 4.06Å; K57-Y84 WeakPolarHBondContact CE-OH 3.37Å; I60-Y84 HydrophobicContact CD1-CD1 4.43Å; E79-Y84 HydrophobicContact CB-CD1 4.22Å; E79-Y84 HydrophobicContact CG-CD1 3.86Å; E79-Y84 HydrophobicContact CG-CE1 3.8Å
85Y95.9Very high94.1Very high18 Ų1839.6 Ų39.67%0.07122%0.217CC..EExtended strand (participates in β ladder)trans-122.5117.5168-48.9-94000108P6 A8 L9 K42 I43 V78 T80 H83P6-Y85 HydrophobicContact CB-CE1 3.68Å; P6-Y85 HydrophobicContact CG-CD1 4.42Å; P6-Y85 HydrophobicContact CG-CE1 3.71Å; A8-Y85 HydrophobicContact CB-CD2 4.49Å; A8-Y85 HydrophobicContact CB-CE2 4.02Å; L9-Y85 HydrophobicContact CD1-CD1 3.7Å; L9-Y85 HydrophobicContact CD1-CE1 4.42Å; L9-Y85 HydrophobicContact CD1-CG 3.99Å; L9-Y85 HydrophobicContact CG-CD1 4.43Å; L9-Y85 HydrophobicContact CG-CG 4.43Å; K42-Y85 WeakPolarHBondContact O-CA 3.49Å; I43-Y85 HydrophobicContact CB-CD1 4.28Å; I43-Y85 HydrophobicContact CD1-CD1 4.01Å; I43-Y85 HydrophobicContact CD1-CE1 4.1Å; I43-Y85 HydrophobicContact CG1-CD1 3.87Å; I43-Y85 HydrophobicContact CG1-CE1 4.31Å; I43-Y85 HydrophobicContact CG2-CD1 3.85Å; I43-Y85 HydrophobicContact CG2-CE1 3.64Å; V78-Y85 HydrophobicContact CB-CD2 4.14Å; V78-Y85 HydrophobicContact CG1-CD2 4.2Å; V78-Y85 PolarHBondContact N-O 3.35Å; V78-Y85 PolarHBondContact O-N 3.32Å; T80-Y85 HydrophobicContact CG2-CD2 4.48Å; T80-Y85 HydrophobicContact CG2-CE2 3.83Å; H83-Y85 HydrophobicContact CB-CD2 4.42Å; H83-Y85 HydrophobicContact CB-CE1 4.32Å; H83-Y85 HydrophobicContact CB-CE2 3.72Å
86L96.1Very high94Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-104.2121.4173.3-47-174.8000108.5I41 K42 I60 L74 V77 L88I41-L86 CarbonylContact C-O 3.58Å; I41-L86 WeakPolarHBondContact CA-O 3.4Å; K42-L86 HydrophobicContact CB-CB 4.21Å; K42-L86 HydrophobicContact CD-CD1 4.27Å; K42-L86 PolarHBondContact N-O 2.82Å; K42-L86 PolarHBondContact O-N 3.02Å; I60-L86 HydrophobicContact CD1-CD2 3.84Å; I60-L86 HydrophobicContact CG1-CD1 4.23Å; I60-L86 HydrophobicContact CG1-CD2 3.68Å; L74-L86 HydrophobicContact CD1-CB 4.22Å; V77-L86 HydrophobicContact CG1-CD2 4.06Å; V77-L86 HydrophobicContact CG2-CD2 4.22Å; L86-L88 HydrophobicContact CB-CD1 4.24Å; L86-L88 HydrophobicContact CB-CD2 4.26Å; L86-L88 HydrophobicContact CB-CG 4.13Å
87V97.7Very high93.7Very high0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-95.7121.5172.5-175.80000107.6Y13 V39 I41 Y75 Q76Y13-V87 HydrophobicContact CE1-CG1 3.72Å; Y13-V87 HydrophobicContact CE1-CG2 4.25Å; Y13-V87 HydrophobicContact CE2-CG2 4.02Å; V39-V87 HydrophobicContact CB-CG1 3.78Å; V39-V87 HydrophobicContact CG1-CG1 3.98Å; V39-V87 HydrophobicContact CG2-CG1 3.84Å; I41-V87 HydrophobicContact CD1-CG2 4.33Å; I41-V87 HydrophobicContact CG1-CG1 4.47Å; I41-V87 HydrophobicContact CG1-CG2 4.27Å; Y75-V87 PolarHBondContact N-O 2.83Å; Q76-V87 HydrophobicContact CB-CB 3.71Å; Q76-V87 HydrophobicContact CB-CG2 3.79Å; Q76-V87 PolarHBondContact N-O 3.31Å; Q76-V87 PolarHBondContact O-N 2.98Å
88L96.5Very high93.2Very high5 Ų541.5 Ų41.53%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-130163.6-164.1-59.7161.3000109.9V39 A40 K42 Y72 K73 L74 L86V39-L88 WeakPolarHBondContact CA-O 3.48Å; V39-L88 WeakPolarHBondContact CB-O 3.09Å; A40-L88 HydrophobicContact CB-CB 4.32Å; A40-L88 PolarHBondContact N-O 3.45Å; A40-L88 PolarHBondContact O-N 3.45Å; K42-L88 HydrophobicContact CB-CD1 3.82Å; K42-L88 HydrophobicContact CD-CD1 4.4Å; Y72-L88 HydrophobicContact CD2-CB 4.47Å; Y72-L88 HydrophobicContact CD2-CD2 4.27Å; Y72-L88 HydrophobicContact CE2-CD1 4.04Å; Y72-L88 HydrophobicContact CE2-CD2 3.79Å; Y72-L88 HydrophobicContact CE2-CG 4.34Å; K73-L88 CarbonylContact O-C 3.5Å; K73-L88 WeakPolarHBondContact O-CA 3.27Å; L74-L88 HydrophobicContact CB-CD2 4.35Å; L74-L88 HydrophobicContact CD1-CD2 3.71Å; L86-L88 HydrophobicContact CB-CD1 4.24Å; L86-L88 HydrophobicContact CB-CD2 4.26Å; L86-L88 HydrophobicContact CB-CG 4.13Å
89E95.3Very high92.9Very high14 Ų1441.7 Ų41.77%0.06523%0.225CC..  trans-54.1139.3166.4-163.1163.5-144.600112Y72 K73 Y75 L91 R149Y72-E89 VanDerWaalsContact CA-OE2 3.24Å; Y72-E89 WeakPolarHBondContact CA-OE2 3.31Å; K73-E89 HydrophobicContact CB-CB 4.18Å; K73-E89 PolarHBondContact N-OE2 3.4Å; K73-E89 PolarHBondContact O-N 3.1Å; Y75-E89 HydrophobicContact CE2-CB 4.3Å; E89-L91 HydrophobicContact CG-CD2 3.91Å; E89-L91 HydrophobicContact CG-CG 4.28Å; E89-R149 IonicContact OE1-CZ 3.7Å; E89-R149 IonicContact OE1-NH1 2.69Å; E89-R149 PolarHBondContact OE1-NH1 3.31Å; E89-R149 IonicContact OE1-NH2 3.13Å; E89-R149 IonicContact OE2-NH1 2.68Å; E89-R149 PolarHBondContact OE2-NH1 3.14Å; E89-R149 VanDerWaalsContact OE2-NH1 3.15Å
90Y94.1Very high92.8Very high55 Ų5536.9 Ų36.922%0.21620%0.203CC..  trans-99.4117.5176.5170.5-106.3000110L19 V29 K38 P92L19-Y90 HydrophobicContact CD1-CD2 4.15Å; L19-Y90 HydrophobicContact CD1-CE2 4.05Å; L19-Y90 HydrophobicContact CD2-CE2 4.2Å; V29-Y90 HydrophobicContact CG1-CE2 4.46Å; V29-Y90 HydrophobicContact CG2-CD2 4.23Å; V29-Y90 HydrophobicContact CG2-CE2 3.71Å; K38-Y90 HydrophobicContact CB-CD1 3.63Å; K38-Y90 HydrophobicContact CB-CE1 4.35Å; K38-Y90 HydrophobicContact CB-CG 3.97Å; K38-Y90 HydrophobicContact CD-CD1 3.55Å; K38-Y90 HydrophobicContact CD-CE1 3.39Å; K38-Y90 HydrophobicContact CD-CG 4.44Å; K38-Y90 HydrophobicContact CG-CD1 4.25Å; Y90-P92 HydrophobicContact CE1-CB 3.82Å; Y90-P92 HydrophobicContact CE1-CG 4.29Å
91L92.5Very high92.5Very high22 Ų2238 Ų3812%0.11521%0.207CC..  trans-116104.1-172.2-62.2174000109.6E89 L141 D143 R149 I151E89-L91 HydrophobicContact CG-CD2 3.91Å; E89-L91 HydrophobicContact CG-CG 4.28Å; L91-L141 HydrophobicContact CB-CB 4.23Å; L91-L141 HydrophobicContact CB-CD1 4.02Å; L91-L141 HydrophobicContact CD1-CB 4.02Å; L91-L141 HydrophobicContact CD1-CD1 4.1Å; L91-D143 HydrophobicContact CD2-CB 4.22Å; L91-R149 HydrophobicContact CD1-CB 3.54Å; L91-R149 HydrophobicContact CD1-CG 3.83Å; L91-R149 HydrophobicContact CD2-CB 4.45Å; L91-R149 HydrophobicContact CD2-CG 3.78Å; L91-R149 HydrophobicContact CG-CG 4.47Å; L91-I151 HydrophobicContact CD1-CG2 4.42Å
92P85.8Confident92.3Very high54 Ų5436.4 Ų36.435%0.35120%0.199SC..  trans-86.7-11.4-171.233.1-35.7000114.8Y90 G94 N144Y90-P92 HydrophobicContact CE1-CB 3.82Å; Y90-P92 HydrophobicContact CE1-CG 4.29Å; P92-G94 VanDerWaalsContact C-N 3.25Å; P92-G94 PolarHBondContact O-N 3.38Å; P92-N144 WeakPolarHBondContact CG-OD1 3.47Å
93G87.6Confident92.2Very high39 Ų3937.2 Ų37.240%0.40220%0.197SC..SBendtrans-74.1-8.8-17300000115.2L142G93-L142 WeakPolarHBondContact CA-O 3.48Å; G93-L142 PolarHBondContact N-O 3.04Å
94G88.8Confident92Very high32 Ų3242.2 Ų42.233%0.3322%0.221SC..  trans85.1-170.7178.800000114P92 L141 L142P92-G94 VanDerWaalsContact C-N 3.25Å; P92-G94 PolarHBondContact O-N 3.38Å; G94-L141 CarbonylContact O-C 3.54Å; G94-L141 VanDerWaalsContact O-CA 3.26Å; G94-L141 WeakPolarHBondContact O-CA 3.45Å; G94-L142 PolarHBondContact O-N 3.38Å
95E91.4Very high91.8Very high64 Ų6447 Ų4730%0.29924%0.243SC..BIsolated β-bridgetrans-80.9141.5178.3-65.9177.4-152.600111.3F97 D98 Y99 E138 L141E95-F97 HydrophobicContact CB-CB 4.25Å; E95-F97 PolarHBondContact O-N 2.96Å; E95-D98 PolarHBondContact O-N 3.28Å; E95-Y99 PolarHBondContact O-N 3.48Å; E95-E138 WeakPolarHBondContact OE2-CA 3.45Å; E95-E138 VanDerWaalsContact OE2-CB 3.27Å; E95-E138 WeakPolarHBondContact OE2-CB 3.38Å; E95-E138 WeakPolarHBondContact OE2-CG 3.4Å; E95-L141 HydrophobicContact CB-CD2 4.39Å; E95-L141 HydrophobicContact CG-CD2 3.78Å
96L94.9Very high91.8Very high0 Ų046.3 Ų46.30%024%0.241CC..Hα-helixtrans-59.4-26.8171.1-179.263.6000111.5Y99 I100 I114 I118 P137 I140 L142 L202L96-Y99 WeakPolarHBondContact O-CB 3.34Å; L96-Y99 PolarHBondContact O-N 3.01Å; L96-I100 HydrophobicContact CG-CD1 4.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.19Å; L96-I100 PolarHBondContact O-N 3.49Å; L96-I114 HydrophobicContact CD1-CD1 4.2Å; L96-I114 HydrophobicContact CD1-CG2 4.09Å; L96-I114 HydrophobicContact CD2-CG2 4.17Å; L96-I118 HydrophobicContact CD2-CD1 3.98Å; L96-P137 HydrophobicContact CB-CB 4.46Å; L96-P137 PolarHBondContact N-O 3.12Å; L96-I140 HydrophobicContact CB-CB 4.04Å; L96-I140 HydrophobicContact CB-CG2 4.12Å; L96-I140 WeakPolarHBondContact CB-O 3.44Å; L96-I140 HydrophobicContact CD2-CB 4.1Å; L96-I140 HydrophobicContact CD2-CD1 4.17Å; L96-I140 HydrophobicContact CD2-CG2 3.86Å; L96-I140 PolarHBondContact N-O 3.18Å; L96-L142 HydrophobicContact CD1-CD2 4.41Å; L96-L202 HydrophobicContact CD1-CD2 4.08Å; L96-L202 HydrophobicContact CD2-CD2 4.33Å; L96-L202 HydrophobicContact CG-CD2 4.41Å
97F91.6Very high91.8Very high9 Ų949.2 Ų49.24%0.03926%0.261CS..Hα-helixtrans-55.8-52.9169.8178.2-101.7000112.9E95 Y99 I100 L101 P137 E138 F739E95-F97 HydrophobicContact CB-CB 4.25Å; E95-F97 PolarHBondContact O-N 2.96Å; F97-Y99 VanDerWaalsContact C-N 3.26Å; F97-Y99 PolarHBondContact O-N 2.84Å; F97-I100 PolarHBondContact O-N 3.25Å; F97-L101 HydrophobicContact CD1-CD1 4.29Å; F97-L101 HydrophobicContact CD1-CG 4.5Å; F97-L101 HydrophobicContact CE1-CD1 3.32Å; F97-L101 HydrophobicContact CE1-CG 3.79Å; F97-L101 HydrophobicContact CE2-CD1 4.44Å; F97-L101 HydrophobicContact CE2-CD2 4.41Å; F97-L101 HydrophobicContact CE2-CG 4.17Å; F97-L101 HydrophobicContact CZ-CD1 3.4Å; F97-L101 VanDerWaalsContact CZ-CD1 3.4Å; F97-L101 HydrophobicContact CZ-CD2 3.99Å; F97-L101 HydrophobicContact CZ-CG 3.59Å; F97-L101 PolarHBondContact O-N 2.85Å; F97-P137 HydrophobicContact CB-CB 3.96Å; F97-P137 PolarHBondContact N-O 3.22Å; F97-E138 HydrophobicContact CB-CG 4.23Å; F97-F739 AromaticContact CD2-CD2 3.92Å; F97-F739 HydrophobicContact CD2-CD2 3.92Å; F97-F739 AromaticContact CD2-CE2 3.64Å; F97-F739 HydrophobicContact CD2-CE2 3.64Å; F97-F739 HydrophobicContact CD2-CG 4.46Å; F97-F739 AromaticContact CD2-CZ 3.95Å; F97-F739 HydrophobicContact CD2-CZ 3.95Å; F97-F739 HydrophobicContact CE2-CB 4.45Å; F97-F739 AromaticContact CE2-CD1 3.85Å; F97-F739 HydrophobicContact CE2-CD1 3.85Å; F97-F739 AromaticContact CE2-CD2 3.63Å; F97-F739 HydrophobicContact CE2-CD2 3.63Å; F97-F739 AromaticContact CE2-CE1 3.88Å; F97-F739 HydrophobicContact CE2-CE1 3.88Å; F97-F739 AromaticContact CE2-CE2 3.66Å; F97-F739 HydrophobicContact CE2-CE2 3.66Å; F97-F739 AromaticContact CE2-CG 3.72Å; F97-F739 HydrophobicContact CE2-CG 3.72Å; F97-F739 AromaticContact CE2-CZ 3.78Å; F97-F739 HydrophobicContact CE2-CZ 3.78Å
98D87.4Confident91.8Very high89 Ų8951 Ų5148%0.47627%0.27SS..Hα-helixtrans-65.3-33.1-179.7-79.7-23.8000111.1E95 L101 Q102E95-D98 PolarHBondContact O-N 3.28Å; D98-L101 PolarHBondContact O-N 3.15Å; D98-Q102 WeakPolarHBondContact O-CB 3.45Å; D98-Q102 PolarHBondContact O-N 2.89Å
99Y91.8Very high91.8Very high29 Ų2955.6 Ų55.611%0.11430%0.298CS..Hα-helixtrans-61.8-46.9174-166-88.2000112.3E95 L96 F97 Q102 K103 L106 E110 I114 L142 Q146E95-Y99 PolarHBondContact O-N 3.48Å; L96-Y99 WeakPolarHBondContact O-CB 3.34Å; L96-Y99 PolarHBondContact O-N 3.01Å; F97-Y99 VanDerWaalsContact C-N 3.26Å; F97-Y99 PolarHBondContact O-N 2.84Å; Y99-Q102 PolarHBondContact O-N 2.94Å; Y99-K103 HydrophobicContact CD1-CG 4.09Å; Y99-K103 HydrophobicContact CE1-CG 3.81Å; Y99-K103 PolarHBondContact O-N 3.43Å; Y99-K103 PolarHBondContact OH-NZ 3.17Å; Y99-L106 HydrophobicContact CD1-CD1 4.41Å; Y99-L106 HydrophobicContact CD1-CD2 4.42Å; Y99-L106 HydrophobicContact CE1-CD2 4.14Å; Y99-L106 HydrophobicContact CE1-CG 4.42Å; Y99-E110 PolarHBondContact OH-OE1 3.44Å; Y99-I114 HydrophobicContact CE1-CD1 4.27Å; Y99-L142 HydrophobicContact CD2-CD1 3.51Å; Y99-L142 HydrophobicContact CE2-CD1 4.15Å; Y99-L142 HydrophobicContact CG-CD1 3.92Å; Y99-Q146 HydrophobicContact CE2-CG 4.44Å; Y99-Q146 VanDerWaalsContact CZ-OE1 3.32Å; Y99-Q146 PolarHBondContact OH-OE1 3.22Å
100I93.7Very high91.9Very high1 Ų157.3 Ų57.31%0.00531%0.306CS..Hα-helixtrans-62.6-45176.5-62.9162.3000110.1L96 F97 Q102 K103 E104 L106 P137 A201 L202 F739L96-I100 HydrophobicContact CG-CD1 4.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.19Å; L96-I100 PolarHBondContact O-N 3.49Å; F97-I100 PolarHBondContact O-N 3.25Å; I100-Q102 VanDerWaalsContact C-N 3.29Å; I100-Q102 PolarHBondContact O-N 2.86Å; I100-K103 PolarHBondContact O-N 2.95Å; I100-E104 CarbonylContact O-C 3.57Å; I100-E104 WeakPolarHBondContact O-CA 3.34Å; I100-E104 PolarHBondContact O-N 2.56Å; I100-L106 HydrophobicContact CB-CD1 4.5Å; I100-L106 HydrophobicContact CG1-CD1 4.07Å; I100-P137 HydrophobicContact CD1-CB 4.38Å; I100-P137 HydrophobicContact CD1-CG 4.45Å; I100-A201 HydrophobicContact CD1-CB 4.35Å; I100-A201 WeakPolarHBondContact CG2-O 3.23Å; I100-L202 HydrophobicContact CD1-CD2 3.8Å; I100-L202 HydrophobicContact CD1-CG 4.18Å; I100-L202 HydrophobicContact CG1-CD2 3.86Å; I100-F739 HydrophobicContact CB-CZ 4.27Å; I100-F739 HydrophobicContact CD1-CZ 4.38Å; I100-F739 HydrophobicContact CG2-CE1 4.31Å; I100-F739 HydrophobicContact CG2-CZ 3.82Å
101L87.9Confident92.1Very high60 Ų6054.7 Ų54.731%0.31430%0.295SS..Hα-helixtrans-60.5-36.1175.1-74.9-165.7000113.1F97 D98 F739 T742F97-L101 HydrophobicContact CD1-CD1 4.29Å; F97-L101 HydrophobicContact CD1-CG 4.5Å; F97-L101 HydrophobicContact CE1-CD1 3.32Å; F97-L101 HydrophobicContact CE1-CG 3.79Å; F97-L101 HydrophobicContact CE2-CD1 4.44Å; F97-L101 HydrophobicContact CE2-CD2 4.41Å; F97-L101 HydrophobicContact CE2-CG 4.17Å; F97-L101 HydrophobicContact CZ-CD1 3.4Å; F97-L101 VanDerWaalsContact CZ-CD1 3.4Å; F97-L101 HydrophobicContact CZ-CD2 3.99Å; F97-L101 HydrophobicContact CZ-CG 3.59Å; F97-L101 PolarHBondContact O-N 2.85Å; D98-L101 PolarHBondContact O-N 3.15Å; L101-F739 HydrophobicContact CD2-CE1 4.2Å; L101-T742 HydrophobicContact CD1-CG2 4.28Å; L101-T742 HydrophobicContact CD2-CG2 4.31Å
102Q88.8Confident92.3Very high157 Ų15754.2 Ų54.273%0.73429%0.292SS*.Hα-helixtrans-72.4-35.1179.4178.8175-19.400112.9D98 Y99 I100 E104D98-Q102 WeakPolarHBondContact O-CB 3.45Å; D98-Q102 PolarHBondContact O-N 2.89Å; Y99-Q102 PolarHBondContact O-N 2.94Å; I100-Q102 VanDerWaalsContact C-N 3.29Å; I100-Q102 PolarHBondContact O-N 2.86Å; Q102-E104 VanDerWaalsContact C-N 3.35Å
103K90.3Very high92.9Very high83 Ų8354.8 Ų54.836%0.36129%0.294SS..Hα-helixtrans-82.7-12.6175.5-64.9-59.5-176.879.70113.5Y99 I100 H105 L106 E110Y99-K103 HydrophobicContact CD1-CG 4.09Å; Y99-K103 HydrophobicContact CE1-CG 3.81Å; Y99-K103 PolarHBondContact O-N 3.43Å; Y99-K103 PolarHBondContact OH-NZ 3.17Å; I100-K103 PolarHBondContact O-N 2.95Å; K103-H105 PolarHBondContact O-N 2.92Å; K103-L106 HydrophobicContact CB-CD1 4.05Å; K103-L106 HydrophobicContact CG-CD1 4.35Å; K103-E110 IonicContact NZ-OE1 3.68Å; K103-E110 PolarHBondContact NZ-OE1 3.14Å
104E89.4Confident93.4Very high146 Ų14653.4 Ų53.468%0.68228%0.278SS*.SBendtrans63.3-50.2-162.9-54.8-174.6167.500113I100 Q102 G205I100-E104 CarbonylContact O-C 3.57Å; I100-E104 WeakPolarHBondContact O-CA 3.34Å; I100-E104 PolarHBondContact O-N 2.56Å; Q102-E104 VanDerWaalsContact C-N 3.35Å; E104-G205 WeakPolarHBondContact O-CA 3.27Å
105H90.7Very high93.8Very high110 Ų11052 Ų5251%0.50926%0.262SS..SBendtrans-155.4161.2167.762.7-66.7000109.5K103K103-H105 PolarHBondContact O-N 2.92Å
106L95.5Very high94.2Very high3 Ų350.5 Ų50.52%0.01625%0.254CS..  trans-101.6149.3-179.3-74.368.1000110.9Y99 I100 K103 E110 A111 I114 L202Y99-L106 HydrophobicContact CD1-CD1 4.41Å; Y99-L106 HydrophobicContact CD1-CD2 4.42Å; Y99-L106 HydrophobicContact CE1-CD2 4.14Å; Y99-L106 HydrophobicContact CE1-CG 4.42Å; I100-L106 HydrophobicContact CB-CD1 4.5Å; I100-L106 HydrophobicContact CG1-CD1 4.07Å; K103-L106 HydrophobicContact CB-CD1 4.05Å; K103-L106 HydrophobicContact CG-CD1 4.35Å; L106-E110 HydrophobicContact CB-CB 4.48Å; L106-E110 HydrophobicContact CB-CG 4.46Å; L106-E110 HydrophobicContact CD2-CG 4.05Å; L106-E110 HydrophobicContact CG-CG 4.29Å; L106-A111 HydrophobicContact CB-CB 4.05Å; L106-I114 HydrophobicContact CD2-CD1 3.68Å; L106-L202 WeakPolarHBondContact CB-O 3.49Å; L106-L202 HydrophobicContact CD1-CD2 4.43Å; L106-L202 HydrophobicContact CD2-CD2 3.77Å; L106-L202 PolarHBondContact N-O 3.26Å
107S96.4Very high94.3Very high62 Ų6251.3 Ų51.343%0.43426%0.258SS..  trans-64.4152.9168.768.30000111V109 E110 A111S107-V109 PolarHBondContact O-N 3.34Å; S107-V109 VanDerWaalsContact O-N 3.14Å; S107-E110 PolarHBondContact O-N 3.27Å; S107-E110 VanDerWaalsContact O-N 3.15Å; S107-E110 VanDerWaalsContact OG-CB 3.22Å; S107-E110 WeakPolarHBondContact OG-CB 3.25Å; S107-E110 PolarHBondContact OG-N 2.78Å; S107-A111 VanDerWaalsContact O-CB 3.31Å; S107-A111 WeakPolarHBondContact O-CB 3.31Å; S107-A111 PolarHBondContact O-N 3.38Å
108E97.7Very high94.6Very high37 Ų3750.9 Ų50.917%0.17326%0.256CS..Hα-helixtrans-58.4-30.9178.2-64-155.717300112.6R112 L203 L232 S233 S236 W262E108-R112 WeakPolarHBondContact O-CB 3.48Å; E108-R112 PolarHBondContact O-N 2.7Å; E108-R112 PolarHBondContact O-NH1 2.96Å; E108-R112 IonicContact OE2-NH2 3.6Å; E108-L203 HydrophobicContact CB-CD2 4.48Å; E108-L203 HydrophobicContact CG-CD2 3.98Å; E108-L232 HydrophobicContact CG-CD2 4.49Å; E108-S233 VanDerWaalsContact CD-OG 3.29Å; E108-S233 WeakPolarHBondContact OE1-CB 3.3Å; E108-S233 PolarHBondContact OE1-N 2.86Å; E108-S233 PolarHBondContact OE1-OG 2.95Å; E108-S233 VanDerWaalsContact OE1-OG 3.08Å; E108-S233 VanDerWaalsContact OE2-CB 3.3Å; E108-S233 WeakPolarHBondContact OE2-CB 3.37Å; E108-S233 PolarHBondContact OE2-OG 3.17Å; E108-S236 WeakPolarHBondContact OE1-CB 3.48Å; E108-S236 PolarHBondContact OE1-OG 3.15Å; E108-S236 PolarHBondContact OE2-OG 3.39Å; E108-S236 VanDerWaalsContact OE2-OG 3.06Å; E108-W262 HydrophobicContact CB-CZ2 4.15Å; E108-W262 WeakPolarHBondContact O-CZ2 3.35Å; E108-W262 PolarHBondContact OE2-NE1 3.35Å
109V97.1Very high95.2Very high102 Ų10246.6 Ų46.662%0.61823%0.233SC*.Hα-helixtrans-64.9-51.6176.2-179.30000111.1S107 R112 V113S107-V109 PolarHBondContact O-N 3.34Å; S107-V109 VanDerWaalsContact O-N 3.14Å; V109-R112 PolarHBondContact O-N 3.21Å; V109-V113 PolarHBondContact O-N 3.32Å
110E96.6Very high95.4Very high49 Ų4945.5 Ų45.523%0.22923%0.229CC..Hα-helixtrans-67.2-46.4-178.8-173.2-171.8172.700112.1Y99 K103 L106 S107 R112 V113 I114Y99-E110 PolarHBondContact OH-OE1 3.44Å; K103-E110 IonicContact NZ-OE1 3.68Å; K103-E110 PolarHBondContact NZ-OE1 3.14Å; L106-E110 HydrophobicContact CB-CB 4.48Å; L106-E110 HydrophobicContact CB-CG 4.46Å; L106-E110 HydrophobicContact CD2-CG 4.05Å; L106-E110 HydrophobicContact CG-CG 4.29Å; S107-E110 PolarHBondContact O-N 3.27Å; S107-E110 VanDerWaalsContact O-N 3.15Å; S107-E110 VanDerWaalsContact OG-CB 3.22Å; S107-E110 WeakPolarHBondContact OG-CB 3.25Å; S107-E110 PolarHBondContact OG-N 2.78Å; E110-R112 VanDerWaalsContact C-N 3.25Å; E110-R112 PolarHBondContact O-N 2.98Å; E110-V113 PolarHBondContact O-N 3.02Å; E110-I114 PolarHBondContact O-N 3.42Å
111A97.8Very high95.6Very high0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-59-37174.500000111.6L106 S107 F115 L202 L203 W262L106-A111 HydrophobicContact CB-CB 4.05Å; S107-A111 VanDerWaalsContact O-CB 3.31Å; S107-A111 WeakPolarHBondContact O-CB 3.31Å; S107-A111 PolarHBondContact O-N 3.38Å; A111-F115 WeakPolarHBondContact O-CB 3.41Å; A111-F115 PolarHBondContact O-N 2.84Å; A111-L202 HydrophobicContact CB-CB 4.15Å; A111-L203 HydrophobicContact CB-CD2 3.68Å; A111-L203 HydrophobicContact CB-CG 4.42Å; A111-W262 HydrophobicContact CB-CH2 4.36Å
112R98.1Very high96Very high13 Ų1342.6 Ų42.65%0.04921%0.214CC..Hα-helixtrans-67.7-37177.2-173.2-172.7-63.3108.1-8112.6E108 V109 E110 R116 W262 E265 F267E108-R112 WeakPolarHBondContact O-CB 3.48Å; E108-R112 PolarHBondContact O-N 2.7Å; E108-R112 PolarHBondContact O-NH1 2.96Å; E108-R112 IonicContact OE2-NH2 3.6Å; V109-R112 PolarHBondContact O-N 3.21Å; E110-R112 VanDerWaalsContact C-N 3.25Å; E110-R112 PolarHBondContact O-N 2.98Å; R112-R116 WeakPolarHBondContact O-CB 3.38Å; R112-R116 VanDerWaalsContact O-CG 3.27Å; R112-R116 WeakPolarHBondContact O-CG 3.42Å; R112-R116 PolarHBondContact O-N 3.42Å; R112-W262 HydrophobicContact CB-CH2 3.62Å; R112-W262 HydrophobicContact CB-CZ2 3.94Å; R112-W262 HydrophobicContact CB-CZ3 3.99Å; R112-W262 WeakPolarHBondContact CD-O 3.33Å; R112-W262 HydrophobicContact CG-CE3 4.37Å; R112-W262 HydrophobicContact CG-CH2 4.23Å; R112-W262 HydrophobicContact CG-CZ3 4.11Å; R112-W262 PolarHBondContact NE-O 2.96Å; R112-E265 WeakPolarHBondContact CD-O 3.26Å; R112-E265 IonicContact CZ-OE2 3.21Å; R112-E265 IonicContact NE-OE2 2.69Å; R112-E265 IonicContact NH2-OE1 2.73Å; R112-E265 IonicContact NH2-OE2 3.36Å; R112-E265 PolarHBondContact NH2-OE2 2.6Å; R112-F267 HydrophobicContact CG-CE2 4.17Å
113V97.2Very high96.4Very high65 Ų6535.2 Ų35.239%0.39418%0.18SC..Hα-helixtrans-59.5-57.6173.5-179.80000109.6V109 E110 F115 R116 Q117 F267V109-V113 PolarHBondContact O-N 3.32Å; E110-V113 PolarHBondContact O-N 3.02Å; V113-F115 PolarHBondContact O-N 3.13Å; V113-R116 PolarHBondContact O-N 3.07Å; V113-Q117 WeakPolarHBondContact O-CG 3.04Å; V113-Q117 PolarHBondContact O-N 3.26Å; V113-F267 HydrophobicContact CG2-CZ 4.32Å
114I97.8Very high96.7Very high11 Ų1131.4 Ų31.46%0.05616%0.164CC..Hα-helixtrans-57.7-48-179.9-68.8177.7000110.7L96 Y99 L106 E110 R116 Q117 I118 V148 L202L96-I114 HydrophobicContact CD1-CD1 4.2Å; L96-I114 HydrophobicContact CD1-CG2 4.09Å; L96-I114 HydrophobicContact CD2-CG2 4.17Å; Y99-I114 HydrophobicContact CE1-CD1 4.27Å; L106-I114 HydrophobicContact CD2-CD1 3.68Å; E110-I114 PolarHBondContact O-N 3.42Å; I114-R116 PolarHBondContact O-N 2.87Å; I114-Q117 WeakPolarHBondContact O-CB 3.49Å; I114-Q117 PolarHBondContact O-N 3.45Å; I114-Q117 VanDerWaalsContact O-N 3.13Å; I114-I118 HydrophobicContact CG2-CD1 3.92Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CG1 3.48Å; I114-I118 PolarHBondContact O-N 3.39Å; I114-V148 HydrophobicContact CG2-CG1 3.81Å; I114-L202 HydrophobicContact CG2-CD1 4.27Å; I114-L202 HydrophobicContact CG2-CD2 4.19Å
115F98.5Very high96.9Very high1 Ų124.4 Ų24.40%0.00413%0.131CC..Hα-helixtrans-67.2-34.1-175.9-167.5-105.6000113.2A111 V113 Q117 I118 V119 L195 L199 L202 M243 L257 W262A111-F115 WeakPolarHBondContact O-CB 3.41Å; A111-F115 PolarHBondContact O-N 2.84Å; V113-F115 PolarHBondContact O-N 3.13Å; F115-Q117 VanDerWaalsContact C-N 3.32Å; F115-Q117 PolarHBondContact O-N 2.7Å; F115-I118 PolarHBondContact O-N 2.97Å; F115-V119 HydrophobicContact CD1-CG2 3.85Å; F115-V119 HydrophobicContact CE1-CG2 3.47Å; F115-V119 VanDerWaalsContact CE1-CG2 3.47Å; F115-V119 HydrophobicContact CE2-CG2 4.44Å; F115-V119 HydrophobicContact CG-CG2 4.48Å; F115-V119 HydrophobicContact CZ-CG2 3.79Å; F115-V119 WeakPolarHBondContact O-CB 3.49Å; F115-V119 VanDerWaalsContact O-CG2 3.31Å; F115-V119 WeakPolarHBondContact O-CG2 3.23Å; F115-V119 PolarHBondContact O-N 3.38Å; F115-L195 HydrophobicContact CE2-CB 4.05Å; F115-L195 HydrophobicContact CE2-CD2 4.36Å; F115-L195 WeakPolarHBondContact CE2-O 3.3Å; F115-L195 HydrophobicContact CZ-CB 4.06Å; F115-L199 HydrophobicContact CB-CD1 4.29Å; F115-L199 HydrophobicContact CD1-CD1 4.34Å; F115-L199 HydrophobicContact CD1-CD2 4.5Å; F115-L199 HydrophobicContact CD2-CB 4.03Å; F115-L199 HydrophobicContact CD2-CD1 4.16Å; F115-L199 HydrophobicContact CE1-CD2 4.27Å; F115-L199 HydrophobicContact CE2-CB 3.8Å; F115-L199 HydrophobicContact CG-CD1 4Å; F115-L199 HydrophobicContact CZ-CB 4.18Å; F115-L199 HydrophobicContact CZ-CD2 4.42Å; F115-L202 HydrophobicContact CB-CD1 4.48Å; F115-L202 HydrophobicContact CD2-CD1 4.39Å; F115-M243 HydrophobicContact CE1-CE 3.94Å; F115-M243 HydrophobicContact CE1-SD 4.36Å; F115-M243 HydrophobicContact CE2-CE 4.31Å; F115-M243 HydrophobicContact CZ-CE 3.46Å; F115-M243 VanDerWaalsContact CZ-CE 3.46Å; F115-M243 HydrophobicContact CZ-SD 3.74Å; F115-L257 HydrophobicContact CE1-CD1 4.23Å; F115-W262 HydrophobicContact CB-CZ3 4.36Å; F115-W262 HydrophobicContact CD1-CZ3 4.04Å; F115-W262 HydrophobicContact CG-CZ3 4.49Å
116R98.2Very high97.1Very high33 Ų3320.7 Ų20.713%0.12511%0.114CC..Hα-helixtrans-60.5-41.3171.2-78.3179.267.492.7-0.8111.8R112 V113 I114 V119 S120 V263 H270 P271 V272R112-R116 WeakPolarHBondContact O-CB 3.38Å; R112-R116 VanDerWaalsContact O-CG 3.27Å; R112-R116 WeakPolarHBondContact O-CG 3.42Å; R112-R116 PolarHBondContact O-N 3.42Å; V113-R116 PolarHBondContact O-N 3.07Å; I114-R116 PolarHBondContact O-N 2.87Å; R116-V119 PolarHBondContact O-N 3.03Å; R116-S120 WeakPolarHBondContact O-CB 3.19Å; R116-S120 PolarHBondContact O-N 3.03Å; R116-V263 VanDerWaalsContact CD-O 3.27Å; R116-V263 WeakPolarHBondContact CD-O 3.45Å; R116-V263 HydrophobicContact CG-CG1 3.89Å; R116-V263 PolarHBondContact NH1-O 3.28Å; R116-H270 PolarHBondContact NH1-O 2.73Å; R116-H270 PolarHBondContact NH2-O 2.91Å; R116-P271 PolarHBondContact NH2-O 3.01Å; R116-V272 HydrophobicContact CB-CG2 4Å; R116-V272 HydrophobicContact CG-CG2 3.74Å; R116-V272 VanDerWaalsContact O-CG1 3.31Å; R116-V272 WeakPolarHBondContact O-CG1 3.26Å
117Q97.9Very high97Very high17 Ų1723.5 Ų23.58%0.07913%0.134CC..Hα-helixtrans-66.5-39.1177.7-59.3-173.3-7.400112.1Y70 V113 I114 F115 S120 A121 N147 V148Y70-Q117 HydrophobicContact CD1-CB 4.16Å; Y70-Q117 HydrophobicContact CD1-CG 4.42Å; Y70-Q117 HydrophobicContact CD2-CB 3.68Å; Y70-Q117 HydrophobicContact CD2-CG 4.21Å; Y70-Q117 WeakPolarHBondContact CD2-O 3.37Å; Y70-Q117 HydrophobicContact CE1-CB 4.11Å; Y70-Q117 HydrophobicContact CE1-CG 3.87Å; Y70-Q117 HydrophobicContact CE2-CB 3.62Å; Y70-Q117 HydrophobicContact CE2-CG 3.63Å; Y70-Q117 HydrophobicContact CG-CB 3.98Å; Y70-Q117 VanDerWaalsContact CZ-CG 3.44Å; Y70-Q117 PolarHBondContact OH-NE2 3.24Å; V113-Q117 WeakPolarHBondContact O-CG 3.04Å; V113-Q117 PolarHBondContact O-N 3.26Å; I114-Q117 WeakPolarHBondContact O-CB 3.49Å; I114-Q117 PolarHBondContact O-N 3.45Å; I114-Q117 VanDerWaalsContact O-N 3.13Å; F115-Q117 VanDerWaalsContact C-N 3.32Å; F115-Q117 PolarHBondContact O-N 2.7Å; Q117-S120 WeakPolarHBondContact O-CB 3.5Å; Q117-S120 PolarHBondContact O-N 3.02Å; Q117-A121 PolarHBondContact O-N 3.36Å; Q117-A121 VanDerWaalsContact O-N 3.1Å; Q117-N147 PolarHBondContact NE2-OD1 2.88Å; Q117-N147 VanDerWaalsContact OE1-CA 3.24Å; Q117-V148 HydrophobicContact CB-CG2 3.42Å; Q117-V148 VanDerWaalsContact CB-CG2 3.42Å
118I98.5Very high96.7Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-63.9-49.1173.4-58.7170.5000110.4L96 I114 F115 S120 A121 I122 I140 V148 I150 L195 I198L96-I118 HydrophobicContact CD2-CD1 3.98Å; I114-I118 HydrophobicContact CG2-CD1 3.92Å; I114-I118 HydrophobicContact CG2-CG1 4.49Å; I114-I118 WeakPolarHBondContact O-CG1 3.48Å; I114-I118 PolarHBondContact O-N 3.39Å; F115-I118 PolarHBondContact O-N 2.97Å; I118-S120 VanDerWaalsContact C-N 3.26Å; I118-S120 PolarHBondContact O-N 3.32Å; I118-A121 PolarHBondContact O-N 3.18Å; I118-A121 VanDerWaalsContact O-N 3.17Å; I118-I122 HydrophobicContact CG2-CG1 4.11Å; I118-I122 WeakPolarHBondContact O-CG1 3.4Å; I118-I122 PolarHBondContact O-N 3.18Å; I118-I140 HydrophobicContact CD1-CD1 3.78Å; I118-I140 HydrophobicContact CG1-CD1 4.14Å; I118-I140 HydrophobicContact CG2-CD1 4.25Å; I118-V148 HydrophobicContact CG1-CB 4.38Å; I118-V148 HydrophobicContact CG1-CG1 4.15Å; I118-V148 HydrophobicContact CG1-CG2 3.89Å; I118-I150 HydrophobicContact CG2-CD1 4.28Å; I118-L195 HydrophobicContact CG2-CD2 3.33Å; I118-I198 HydrophobicContact CD1-CG2 4.12Å
119V98.4Very high96.3Very high0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-58.4-38.2178.1168.70000111.7F115 R116 G123 M254 L257 R258 V272F115-V119 HydrophobicContact CD1-CG2 3.85Å; F115-V119 HydrophobicContact CE1-CG2 3.47Å; F115-V119 VanDerWaalsContact CE1-CG2 3.47Å; F115-V119 HydrophobicContact CE2-CG2 4.44Å; F115-V119 HydrophobicContact CG-CG2 4.48Å; F115-V119 HydrophobicContact CZ-CG2 3.79Å; F115-V119 WeakPolarHBondContact O-CB 3.49Å; F115-V119 VanDerWaalsContact O-CG2 3.31Å; F115-V119 WeakPolarHBondContact O-CG2 3.23Å; F115-V119 PolarHBondContact O-N 3.38Å; R116-V119 PolarHBondContact O-N 3.03Å; V119-G123 PolarHBondContact O-N 3.27Å; V119-M254 HydrophobicContact CG1-SD 3.96Å; V119-L257 HydrophobicContact CG1-CD2 4.42Å; V119-L257 HydrophobicContact CG1-CG 4.28Å; V119-L257 HydrophobicContact CG2-CD2 3.92Å; V119-L257 HydrophobicContact CG2-CG 4.15Å; V119-R258 HydrophobicContact CG1-CB 4.34Å; V119-V272 HydrophobicContact CB-CG1 4.32Å; V119-V272 HydrophobicContact CG1-CB 4.08Å; V119-V272 HydrophobicContact CG1-CG1 4.02Å; V119-V272 HydrophobicContact CG1-CG2 4.14Å
120S97.9Very high95.9Very high5 Ų520.7 Ų20.74%0.03511%0.112CC..Hα-helixtrans-58.6-54.2173.7-179.70000111.1H68 R116 Q117 I118 I122 G123 Y124 D273H68-S120 PolarHBondContact CE1-OG 3.24Å; H68-S120 VanDerWaalsContact CE1-OG 3.27Å; H68-S120 PolarHBondContact NE2-OG 2.69Å; R116-S120 WeakPolarHBondContact O-CB 3.19Å; R116-S120 PolarHBondContact O-N 3.03Å; Q117-S120 WeakPolarHBondContact O-CB 3.5Å; Q117-S120 PolarHBondContact O-N 3.02Å; I118-S120 VanDerWaalsContact C-N 3.26Å; I118-S120 PolarHBondContact O-N 3.32Å; S120-I122 PolarHBondContact O-N 2.92Å; S120-G123 PolarHBondContact O-N 2.72Å; S120-Y124 PolarHBondContact O-N 3.22Å; S120-D273 WeakPolarHBondContact CA-O 3.43Å; S120-D273 WeakPolarHBondContact CB-O 3.28Å; S120-D273 PolarHBondContact OG-O 2.95Å
121A97.1Very high95.7Very high0 Ų018.7 Ų18.70%010%0.103CC..Hα-helixtrans-60.1-46.3178.600000113.5H68 I71 Q117 I118 Y124 I125 I150H68-A121 VanDerWaalsContact CE1-CA 3.47Å; H68-A121 WeakPolarHBondContact CE1-CA 3.27Å; H68-A121 PolarHBondContact CE1-N 3.36Å; I71-A121 HydrophobicContact CG1-CB 4.19Å; Q117-A121 PolarHBondContact O-N 3.36Å; Q117-A121 VanDerWaalsContact O-N 3.1Å; I118-A121 PolarHBondContact O-N 3.18Å; I118-A121 VanDerWaalsContact O-N 3.17Å; A121-Y124 PolarHBondContact O-N 3.31Å; A121-I125 WeakPolarHBondContact O-CD1 3.48Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.38Å; A121-I125 PolarHBondContact O-N 3.1Å; A121-I150 HydrophobicContact CB-CD1 4.43Å; A121-I150 HydrophobicContact CB-CG1 3.59Å
122I97.1Very high95.4Very high0 Ų018.7 Ų18.70%010%0.103CC..Hα-helixtrans-73.9-34.6-176.5-54.7-42.4000111.1I118 S120 I125 H126 L135 I150 D191 L195 M254I118-I122 HydrophobicContact CG2-CG1 4.11Å; I118-I122 WeakPolarHBondContact O-CG1 3.4Å; I118-I122 PolarHBondContact O-N 3.18Å; S120-I122 PolarHBondContact O-N 2.92Å; I122-I125 HydrophobicContact CD1-CD1 3.81Å; I122-I125 PolarHBondContact O-N 3.41Å; I122-H126 WeakPolarHBondContact CG2-NE2 3.36Å; I122-H126 PolarHBondContact O-CD2 2.86Å; I122-H126 VanDerWaalsContact O-CD2 3.31Å; I122-H126 VanDerWaalsContact O-CG 3.25Å; I122-H126 PolarHBondContact O-N 2.87Å; I122-L135 HydrophobicContact CD1-CD1 4.03Å; I122-L135 HydrophobicContact CD1-CD2 3.57Å; I122-L135 HydrophobicContact CD1-CG 4.44Å; I122-L135 HydrophobicContact CG1-CD1 3.94Å; I122-L135 HydrophobicContact CG1-CD2 4.24Å; I122-L135 HydrophobicContact CG2-CD1 4.15Å; I122-I150 HydrophobicContact CD1-CD1 4.25Å; I122-I150 HydrophobicContact CD1-CG1 4.03Å; I122-I150 HydrophobicContact CD1-CG2 4.31Å; I122-D191 HydrophobicContact CG2-CB 4.14Å; I122-L195 HydrophobicContact CB-CD1 4.24Å; I122-L195 HydrophobicContact CG1-CD1 4.36Å; I122-L195 HydrophobicContact CG1-CD2 4.13Å; I122-L195 HydrophobicContact CG2-CD1 4.24Å; I122-M254 HydrophobicContact CB-CE 4.02Å; I122-M254 HydrophobicContact CG2-CE 3.76Å
123G96.5Very high95Very high2 Ų220.1 Ų20.12%0.02111%0.109CC..Hα-helixtrans-65-40.6174.100000112.7V119 S120 H126 S127V119-G123 PolarHBondContact O-N 3.27Å; S120-G123 PolarHBondContact O-N 2.72Å; G123-H126 PolarHBondContact O-N 3.44Å; G123-S127 PolarHBondContact O-N 2.94Å
124Y95.8Very high94.6Very high3 Ų318 Ų181%0.01210%0.095CC..Hα-helixtrans-59.7-47.9169.9175.9-92.8000111.8L66 N67 H68 I71 S120 A121 H126 S127 R128 L274L66-Y124 HydrophobicContact CB-CE1 4.05Å; L66-Y124 HydrophobicContact CD2-CD1 4.03Å; L66-Y124 HydrophobicContact CD2-CE1 3.63Å; L66-Y124 HydrophobicContact CG-CE1 4.47Å; N67-Y124 PolarHBondContact N-OH 3.07Å; N67-Y124 PolarHBondContact O-OH 3.32Å; N67-Y124 VanDerWaalsContact O-OH 3.08Å; H68-Y124 HydrophobicContact CB-CD1 3.74Å; H68-Y124 HydrophobicContact CB-CE1 3.86Å; H68-Y124 HydrophobicContact CB-CG 4.08Å; H68-Y124 AromaticContact CD2-CD2 3.84Å; H68-Y124 AromaticContact CD2-CG 3.61Å; I71-Y124 HydrophobicContact CD1-CD1 4Å; I71-Y124 HydrophobicContact CD1-CE1 4.39Å; S120-Y124 PolarHBondContact O-N 3.22Å; A121-Y124 PolarHBondContact O-N 3.31Å; Y124-H126 PolarHBondContact O-N 3.17Å; Y124-S127 PolarHBondContact O-N 2.89Å; Y124-S127 PolarHBondContact O-OG 3.39Å; Y124-R128 HydrophobicContact CD1-CG 4.1Å; Y124-R128 HydrophobicContact CD2-CG 4.3Å; Y124-R128 HydrophobicContact CE1-CG 3.78Å; Y124-R128 HydrophobicContact CE2-CG 4.03Å; Y124-R128 HydrophobicContact CG-CG 4.35Å; Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 WeakPolarHBondContact O-CG 3.4Å; Y124-R128 PolarHBondContact O-N 3.24Å; Y124-L274 VanDerWaalsContact CD2-O 3.23Å; Y124-L274 WeakPolarHBondContact CD2-O 3.35Å
125I94.5Very high94.4Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-55.2-42.2176.1-69.8162.8000110.8L66 I71 A121 I122 G129 F130 F153L66-I125 HydrophobicContact CD1-CG1 4.14Å; L66-I125 HydrophobicContact CD2-CG1 4.25Å; I71-I125 HydrophobicContact CD1-CD1 3.83Å; I71-I125 HydrophobicContact CD1-CG1 3.7Å; A121-I125 WeakPolarHBondContact O-CD1 3.48Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.38Å; A121-I125 PolarHBondContact O-N 3.1Å; I122-I125 HydrophobicContact CD1-CD1 3.81Å; I122-I125 PolarHBondContact O-N 3.41Å; I125-G129 PolarHBondContact O-N 3.13Å; I125-F130 HydrophobicContact CG2-CB 3.7Å; I125-F130 WeakPolarHBondContact O-CA 3.48Å; I125-F130 WeakPolarHBondContact O-CB 3.34Å; I125-F130 PolarHBondContact O-N 3.2Å; I125-F153 HydrophobicContact CD1-CE1 3.58Å; I125-F153 HydrophobicContact CD1-CZ 3.77Å; I125-F153 HydrophobicContact CG1-CE1 4.09Å
126H94Very high94Very high32 Ų3218.4 Ų18.415%0.14810%0.097CC..Hα-helixtrans-68.1-43178.6-67-179.1000113I122 G123 Y124 R128 G129 F130 S188 D191 M254I122-H126 WeakPolarHBondContact CG2-NE2 3.36Å; I122-H126 PolarHBondContact O-CD2 2.86Å; I122-H126 VanDerWaalsContact O-CD2 3.31Å; I122-H126 VanDerWaalsContact O-CG 3.25Å; I122-H126 PolarHBondContact O-N 2.87Å; G123-H126 PolarHBondContact O-N 3.44Å; Y124-H126 PolarHBondContact O-N 3.17Å; H126-R128 VanDerWaalsContact C-N 3.32Å; H126-R128 PolarHBondContact O-N 3.46Å; H126-G129 WeakPolarHBondContact O-CA 3.28Å; H126-G129 PolarHBondContact O-N 3.24Å; H126-F130 WeakPolarHBondContact CA-O 3.1Å; H126-F130 PolarHBondContact CD2-O 2.72Å; H126-S188 VanDerWaalsContact CE1-CA 3.42Å; H126-S188 WeakPolarHBondContact CE1-CA 3.34Å; H126-S188 VanDerWaalsContact CE1-CB 3.41Å; H126-S188 WeakPolarHBondContact CE1-CB 3.48Å; H126-S188 PolarHBondContact CE1-O 3.49Å; H126-S188 WeakPolarHBondContact ND1-CB 3.39Å; H126-D191 IonicContact CD2-OD2 2.84Å; H126-D191 IonicContact CE1-OD2 3.68Å; H126-D191 IonicContact NE2-OD2 3.38Å; H126-D191 PolarHBondContact NE2-OD2 3.38Å; H126-M254 WeakPolarHBondContact ND1-CE 3.39Å
127S93Very high93.7Very high62 Ų6216.9 Ų16.943%0.4349%0.091SC..Hα-helixtrans-70.1-28.6178.773.70000112.9G123 Y124 G129 E276G123-S127 PolarHBondContact O-N 2.94Å; Y124-S127 PolarHBondContact O-N 2.89Å; Y124-S127 PolarHBondContact O-OG 3.39Å; S127-G129 PolarHBondContact O-N 2.95Å; S127-E276 WeakPolarHBondContact CB-OE1 3.44Å; S127-E276 PolarHBondContact OG-OE1 2.94Å
128R90.8Very high93.3Very high94 Ų9416.5 Ų16.536%0.3559%0.089SC..THydrogen-bonded Turntrans-72.5-0.3168.6-58.1-63.7-69.4160.8-1.9113.5Q65 L66 Y124 H126 F130Q65-R128 PolarHBondContact O-NE 3.48Å; Q65-R128 PolarHBondContact O-NH2 2.84Å; L66-R128 HydrophobicContact CD2-CB 3.77Å; L66-R128 HydrophobicContact CD2-CG 3.92Å; Y124-R128 HydrophobicContact CD1-CG 4.1Å; Y124-R128 HydrophobicContact CD2-CG 4.3Å; Y124-R128 HydrophobicContact CE1-CG 3.78Å; Y124-R128 HydrophobicContact CE2-CG 4.03Å; Y124-R128 HydrophobicContact CG-CG 4.35Å; Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 WeakPolarHBondContact O-CG 3.4Å; Y124-R128 PolarHBondContact O-N 3.24Å; H126-R128 VanDerWaalsContact C-N 3.32Å; H126-R128 PolarHBondContact O-N 3.46Å; R128-F130 HydrophobicContact CB-CD2 4.1Å; R128-F130 WeakPolarHBondContact O-CD2 3.47Å
129G89Confident93.1Very high33 Ų3316.9 Ų16.934%0.349%0.091SC..THydrogen-bonded Turntrans81.520175.200000114.4I125 H126 S127 K158 G159I125-G129 PolarHBondContact O-N 3.13Å; H126-G129 WeakPolarHBondContact O-CA 3.28Å; H126-G129 PolarHBondContact O-N 3.24Å; S127-G129 PolarHBondContact O-N 2.95Å; G129-K158 WeakPolarHBondContact O-CA 3.47Å; G129-K158 WeakPolarHBondContact O-CG 3.24Å; G129-G159 PolarHBondContact O-N 2.93Å
130F90.2Very high93Very high15 Ų1516.9 Ų16.97%0.0669%0.091CC..EExtended strand (participates in β ladder)trans-107.5166.4176.7-70.7-92.9000111.3A62 Q65 L66 I125 H126 R128 A157 K158A62-F130 HydrophobicContact CB-CD1 4.48Å; A62-F130 HydrophobicContact CB-CE1 4.13Å; Q65-F130 HydrophobicContact CB-CE2 4.02Å; Q65-F130 HydrophobicContact CB-CZ 4.09Å; Q65-F130 HydrophobicContact CG-CZ 4.49Å; L66-F130 HydrophobicContact CD2-CD2 4.14Å; I125-F130 HydrophobicContact CG2-CB 3.7Å; I125-F130 WeakPolarHBondContact O-CA 3.48Å; I125-F130 WeakPolarHBondContact O-CB 3.34Å; I125-F130 PolarHBondContact O-N 3.2Å; H126-F130 WeakPolarHBondContact CA-O 3.1Å; H126-F130 PolarHBondContact CD2-O 2.72Å; R128-F130 HydrophobicContact CB-CD2 4.1Å; R128-F130 WeakPolarHBondContact O-CD2 3.47Å; F130-A157 WeakPolarHBondContact CA-O 3.49Å; F130-K158 HydrophobicContact CD1-CB 3.92Å; F130-K158 HydrophobicContact CD1-CG 4.26Å; F130-K158 HydrophobicContact CD2-CG 4.37Å; F130-K158 HydrophobicContact CE1-CB 3.76Å; F130-K158 HydrophobicContact CE1-CD 4.22Å; F130-K158 HydrophobicContact CE1-CG 4.1Å; F130-K158 HydrophobicContact CE2-CD 3.97Å; F130-K158 HydrophobicContact CE2-CG 4.21Å; F130-K158 HydrophobicContact CG-CG 4.4Å; F130-K158 HydrophobicContact CZ-CB 4.21Å; F130-K158 HydrophobicContact CZ-CD 3.78Å; F130-K158 HydrophobicContact CZ-CG 4.08Å
131A91.2Very high92.8Very high6 Ų618.3 Ų18.35%0.0510%0.098CC..EExtended strand (participates in β ladder)trans-134.9147.116300000108.7R133 C156 A157 G187 D191A131-R133 HydrophobicContact CB-CG 4.04Å; A131-C156 WeakPolarHBondContact O-CA 3.42Å; A131-C156 PolarHBondContact O-SG 3.5Å; A131-A157 PolarHBondContact N-O 2.93Å; A131-A157 PolarHBondContact O-N 2.67Å; A131-G187 VanDerWaalsContact CB-C 3.45Å; A131-D191 WeakPolarHBondContact CA-OD2 3.36Å; A131-D191 WeakPolarHBondContact CB-OD2 3.46Å
132H92.1Very high92.7Very high0 Ų018.4 Ų18.40%010%0.099CC..  trans-80.4-41.8-173.4-170-91.6000112.5D134 L135 I151 F153 D191H132-D134 PolarHBondContact CE1-O 2.89Å; H132-D134 PolarHBondContact ND1-O 3.41Å; H132-D134 PolarHBondContact O-N 2.95Å; H132-L135 HydrophobicContact CB-CD1 4.32Å; H132-L135 HydrophobicContact CB-CD2 3.93Å; H132-L135 HydrophobicContact CB-CG 3.86Å; H132-L135 VanDerWaalsContact ND1-CD2 3.33Å; H132-L135 WeakPolarHBondContact ND1-CD2 3.35Å; H132-I151 PolarHBondContact NE2-O 3Å; H132-F153 AromaticContact CD2-CD1 3.97Å; H132-F153 AromaticContact CD2-CE1 3.86Å; H132-D191 PolarHBondContact N-OD1 2.57Å; H132-D191 PolarHBondContact N-OD2 3.33Å
133R89.9Confident92.3Very high43 Ų4319.1 Ų19.116%0.16210%0.103CC..SBendtrans65.1-8.1172.3-51-176.5-177.3-161.85.1117.2A131 L155 N161 D191A131-R133 HydrophobicContact CB-CG 4.04Å; R133-L155 HydrophobicContact CB-CB 4.29Å; R133-N161 PolarHBondContact NH1-O 3.23Å; R133-N161 PolarHBondContact NH2-O 3.3Å; R133-D191 PolarHBondContact N-OD1 3.33Å
134D87.8Confident91.8Very high20 Ų2025.1 Ų25.111%0.10713%0.134CC..  trans-134.454168.3-16146.6000111.9H132 K136 N139 L155H132-D134 PolarHBondContact CE1-O 2.89Å; H132-D134 PolarHBondContact ND1-O 3.41Å; H132-D134 PolarHBondContact O-N 2.95Å; D134-K136 PolarHBondContact O-N 3.35Å; D134-K136 IonicContact OD2-NZ 2.6Å; D134-K136 PolarHBondContact OD2-NZ 3.15Å; D134-N139 PolarHBondContact O-ND2 3.49Å; D134-N139 PolarHBondContact OD2-ND2 2.98Å; D134-L155 HydrophobicContact CB-CB 4.48Å; D134-L155 HydrophobicContact CB-CD1 3.99Å; D134-L155 HydrophobicContact CB-CG 4.27Å
135L93.1Very high91.3Very high2 Ų231.2 Ų31.21%0.0117%0.167CC..  trans-77.7120.1175.8-71.5173.2000111I122 H132 I150 Y174 D191 L195 I198I122-L135 HydrophobicContact CD1-CD1 4.03Å; I122-L135 HydrophobicContact CD1-CD2 3.57Å; I122-L135 HydrophobicContact CD1-CG 4.44Å; I122-L135 HydrophobicContact CG1-CD1 3.94Å; I122-L135 HydrophobicContact CG1-CD2 4.24Å; I122-L135 HydrophobicContact CG2-CD1 4.15Å; H132-L135 HydrophobicContact CB-CD1 4.32Å; H132-L135 HydrophobicContact CB-CD2 3.93Å; H132-L135 HydrophobicContact CB-CG 3.86Å; H132-L135 VanDerWaalsContact ND1-CD2 3.33Å; H132-L135 WeakPolarHBondContact ND1-CD2 3.35Å; L135-I150 HydrophobicContact CD2-CG2 4.35Å; L135-Y174 VanDerWaalsContact O-CB 3.23Å; L135-Y174 WeakPolarHBondContact O-CB 3.34Å; L135-D191 HydrophobicContact CD1-CB 3.75Å; L135-L195 HydrophobicContact CD1-CD2 4.16Å; L135-L195 HydrophobicContact CD1-CG 4.27Å; L135-I198 HydrophobicContact CB-CD1 4.08Å
136K91.3Very high91.1Very high20 Ų2036 Ų369%0.08719%0.189CC..  trans-156.5155.8177.262.1-174.8-169.3-68.20110.1D134 E138 N139 Y174D134-K136 PolarHBondContact O-N 3.35Å; D134-K136 IonicContact OD2-NZ 2.6Å; D134-K136 PolarHBondContact OD2-NZ 3.15Å; K136-E138 VanDerWaalsContact CB-OE2 3.31Å; K136-E138 WeakPolarHBondContact CB-OE2 3.34Å; K136-E138 WeakPolarHBondContact CD-OE2 2.91Å; K136-E138 HydrophobicContact CG-CB 4.39Å; K136-E138 VanDerWaalsContact CG-OE2 3.26Å; K136-E138 WeakPolarHBondContact CG-OE2 3.49Å; K136-E138 PolarHBondContact O-N 2.99Å; K136-E138 VanDerWaalsContact O-N 3.12Å; K136-N139 HydrophobicContact CG-CB 4.02Å; K136-N139 PolarHBondContact NZ-ND2 3.1Å; K136-N139 PolarHBondContact NZ-OD1 3.41Å; K136-N139 WeakPolarHBondContact O-CA 3.45Å; K136-N139 PolarHBondContact O-N 3.3Å; K136-Y174 HydrophobicContact CB-CD1 4.34Å; K136-Y174 HydrophobicContact CB-CD2 3.45Å; K136-Y174 VanDerWaalsContact CB-CD2 3.45Å; K136-Y174 HydrophobicContact CB-CE1 4.4Å; K136-Y174 HydrophobicContact CB-CE2 3.52Å; K136-Y174 HydrophobicContact CB-CG 3.91Å
137P92.5Very high91.1Very high0 Ų036.6 Ų36.60%019%0.193CC..G310 helixtrans-61.2-19.1-177.4-25.436.8000115.1L96 F97 I100 Y174 I198 F739L96-P137 HydrophobicContact CB-CB 4.46Å; L96-P137 PolarHBondContact N-O 3.12Å; F97-P137 HydrophobicContact CB-CB 3.96Å; F97-P137 PolarHBondContact N-O 3.22Å; I100-P137 HydrophobicContact CD1-CB 4.38Å; I100-P137 HydrophobicContact CD1-CG 4.45Å; P137-Y174 VanDerWaalsContact CD-CZ 3.43Å; P137-Y174 WeakPolarHBondContact CD-OH 3.23Å; P137-Y174 HydrophobicContact CG-CE1 4.14Å; P137-I198 HydrophobicContact CG-CG1 4.22Å; P137-F739 HydrophobicContact CG-CE2 4.39Å
138E89.5Confident91.2Very high9 Ų933.6 Ų33.64%0.04217%0.173CC..G310 helixtrans-74.8-24.9170.6-47.3103.210600113E95 F97 K136 I140 R733 S738E95-E138 WeakPolarHBondContact OE2-CA 3.45Å; E95-E138 VanDerWaalsContact OE2-CB 3.27Å; E95-E138 WeakPolarHBondContact OE2-CB 3.38Å; E95-E138 WeakPolarHBondContact OE2-CG 3.4Å; F97-E138 HydrophobicContact CB-CG 4.23Å; K136-E138 VanDerWaalsContact CB-OE2 3.31Å; K136-E138 WeakPolarHBondContact CB-OE2 3.34Å; K136-E138 WeakPolarHBondContact CD-OE2 2.91Å; K136-E138 HydrophobicContact CG-CB 4.39Å; K136-E138 VanDerWaalsContact CG-OE2 3.26Å; K136-E138 WeakPolarHBondContact CG-OE2 3.49Å; K136-E138 PolarHBondContact O-N 2.99Å; K136-E138 VanDerWaalsContact O-N 3.12Å; E138-I140 VanDerWaalsContact C-N 3.25Å; E138-I140 PolarHBondContact O-N 2.97Å; E138-R733 IonicContact OE1-CZ 2.76Å; E138-R733 IonicContact OE1-NH1 2.6Å; E138-R733 PolarHBondContact OE1-NH1 3.47Å; E138-R733 IonicContact OE1-NH2 2.73Å; E138-S738 VanDerWaalsContact CG-OG 3.3Å; E138-S738 WeakPolarHBondContact CG-OG 3.4Å; E138-S738 PolarHBondContact OE1-OG 3.46Å
139N93Very high91.5Very high9 Ų929.8 Ų29.85%0.04816%0.158CC..G310 helixtrans-90.916.3176.2-76.812.9000112.5D134 K136 I151D134-N139 PolarHBondContact O-ND2 3.49Å; D134-N139 PolarHBondContact OD2-ND2 2.98Å; K136-N139 HydrophobicContact CG-CB 4.02Å; K136-N139 PolarHBondContact NZ-ND2 3.1Å; K136-N139 PolarHBondContact NZ-OD1 3.41Å; K136-N139 WeakPolarHBondContact O-CA 3.45Å; K136-N139 PolarHBondContact O-N 3.3Å; N139-I151 VanDerWaalsContact C-CG1 3.49Å; N139-I151 HydrophobicContact CB-CG1 4.4Å; N139-I151 WeakPolarHBondContact O-CG1 3.17Å; N139-I151 PolarHBondContact O-N 3.15Å
140I96.3Very high91.9Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-129.2110.8175.5-55-176.4000107L96 I118 E138 V148 I150 I198L96-I140 HydrophobicContact CB-CB 4.04Å; L96-I140 HydrophobicContact CB-CG2 4.12Å; L96-I140 WeakPolarHBondContact CB-O 3.44Å; L96-I140 HydrophobicContact CD2-CB 4.1Å; L96-I140 HydrophobicContact CD2-CD1 4.17Å; L96-I140 HydrophobicContact CD2-CG2 3.86Å; L96-I140 PolarHBondContact N-O 3.18Å; I118-I140 HydrophobicContact CD1-CD1 3.78Å; I118-I140 HydrophobicContact CG1-CD1 4.14Å; I118-I140 HydrophobicContact CG2-CD1 4.25Å; E138-I140 VanDerWaalsContact C-N 3.25Å; E138-I140 PolarHBondContact O-N 2.97Å; I140-V148 HydrophobicContact CG2-CB 3.64Å; I140-V148 HydrophobicContact CG2-CG1 3.65Å; I140-I150 HydrophobicContact CD1-CD1 3.89Å; I140-I150 HydrophobicContact CG1-CD1 3.76Å; I140-I150 HydrophobicContact CG2-CD1 4.21Å; I140-I198 HydrophobicContact CD1-CD1 4.19Å
141L95.1Very high92Very high34 Ų3429 Ų2918%0.17815%0.146CC..EExtended strand (participates in β ladder)trans-95.8163.7176.2-61-170000111L91 G94 E95 V148 R149 I151L91-L141 HydrophobicContact CB-CB 4.23Å; L91-L141 HydrophobicContact CB-CD1 4.02Å; L91-L141 HydrophobicContact CD1-CB 4.02Å; L91-L141 HydrophobicContact CD1-CD1 4.1Å; G94-L141 CarbonylContact O-C 3.54Å; G94-L141 VanDerWaalsContact O-CA 3.26Å; G94-L141 WeakPolarHBondContact O-CA 3.45Å; E95-L141 HydrophobicContact CB-CD2 4.39Å; E95-L141 HydrophobicContact CG-CD2 3.78Å; L141-V148 CarbonylContact O-C 3.5Å; L141-V148 WeakPolarHBondContact O-CA 3.4Å; L141-R149 PolarHBondContact N-O 2.82Å; L141-R149 PolarHBondContact O-N 3.31Å; L141-I151 HydrophobicContact CB-CG2 4.5Å; L141-I151 HydrophobicContact CD1-CD1 3.99Å; L141-I151 HydrophobicContact CD1-CG2 4.1Å; L141-I151 HydrophobicContact CD2-CD1 4.14Å; L141-I151 HydrophobicContact CG-CD1 3.79Å; L141-I151 HydrophobicContact CG-CG1 4.18Å; L141-I151 HydrophobicContact CG-CG2 4.01Å
142L93.4Very high91.7Very high3 Ų331.2 Ų31.22%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-108.7144.2172.5-58.8179.3000111.5G93 G94 L96 Y99 N147 V148G93-L142 WeakPolarHBondContact CA-O 3.48Å; G93-L142 PolarHBondContact N-O 3.04Å; G94-L142 PolarHBondContact O-N 3.38Å; L96-L142 HydrophobicContact CD1-CD2 4.41Å; Y99-L142 HydrophobicContact CD2-CD1 3.51Å; Y99-L142 HydrophobicContact CE2-CD1 4.15Å; Y99-L142 HydrophobicContact CG-CD1 3.92Å; L142-N147 WeakPolarHBondContact CA-O 3.42Å; L142-V148 HydrophobicContact CD2-CG1 3.91Å
143D89.8Confident91.3Very high15 Ų1531.2 Ų31.28%0.0816%0.158CC..  trans-87.8-173.7164.860.133000112.4L91 D145 Q146 N147 R149L91-D143 HydrophobicContact CD2-CB 4.22Å; D143-D145 PolarHBondContact O-N 3.2Å; D143-D145 PolarHBondContact OD1-N 3.27Å; D143-Q146 PolarHBondContact O-N 2.98Å; D143-N147 PolarHBondContact N-O 3.4Å; D143-N147 WeakPolarHBondContact OD1-CB 3.5Å; D143-N147 PolarHBondContact OD1-N 3.24Å; D143-N147 PolarHBondContact OD1-ND2 2.79Å; D143-N147 VanDerWaalsContact OD1-ND2 3.12Å; D143-R149 IonicContact OD2-CZ 3.89Å; D143-R149 IonicContact OD2-NE 2.74Å; D143-R149 PolarHBondContact OD2-NE 2.99Å; D143-R149 IonicContact OD2-NH2 2.9Å; D143-R149 PolarHBondContact OD2-NH2 3.11Å
144N85.5Confident90.3Very high128 Ų12829.8 Ų29.868%0.68416%0.156SC*.THydrogen-bonded Turntrans-59.7-34.2-175.3-66.4-53.4000112.5P92 Q146P92-N144 WeakPolarHBondContact CG-OD1 3.47Å; N144-Q146 VanDerWaalsContact C-N 3.3Å
145D86.4Confident89.4Confident130 Ų13030.3 Ų30.370%0.69516%0.159SC*.THydrogen-bonded Turntrans-95.113.6-175.8-56.8-67.1000112.3D143 N147D143-D145 PolarHBondContact O-N 3.2Å; D143-D145 PolarHBondContact OD1-N 3.27Å; D145-N147 VanDerWaalsContact C-N 3.26Å; D145-N147 PolarHBondContact O-N 2.94Å
146Q88.4Confident88.4Confident102 Ų10230.9 Ų30.948%0.47716%0.162SC..  trans63.524.3179.7-54.1174.828.300114.2Y99 D143 N144Y99-Q146 HydrophobicContact CE2-CG 4.44Å; Y99-Q146 VanDerWaalsContact CZ-OE1 3.32Å; Y99-Q146 PolarHBondContact OH-OE1 3.22Å; D143-Q146 PolarHBondContact O-N 2.98Å; N144-Q146 VanDerWaalsContact C-N 3.3Å
147N93.9Very high87.3Confident43 Ų4331.1 Ų31.123%0.2317%0.168CC..  trans-78.5148167.8-52.5-83.8000110.3Y70 Q117 L142 D143 D145Y70-N147 HydrophobicContact CD1-CB 4.37Å; Y70-N147 HydrophobicContact CE1-CB 4.02Å; Q117-N147 PolarHBondContact NE2-OD1 2.88Å; Q117-N147 VanDerWaalsContact OE1-CA 3.24Å; L142-N147 WeakPolarHBondContact CA-O 3.42Å; D143-N147 PolarHBondContact N-O 3.4Å; D143-N147 WeakPolarHBondContact OD1-CB 3.5Å; D143-N147 PolarHBondContact OD1-N 3.24Å; D143-N147 PolarHBondContact OD1-ND2 2.79Å; D143-N147 VanDerWaalsContact OD1-ND2 3.12Å; D145-N147 VanDerWaalsContact C-N 3.26Å; D145-N147 PolarHBondContact O-N 2.94Å
148V96.8Very high86Confident0 Ų035.9 Ų35.90%019%0.189CC..EExtended strand (participates in β ladder)trans-79144178.7-63.50000112.5Y70 I114 Q117 I118 I140 L141 L142Y70-V148 WeakPolarHBondContact CA-O 3.41Å; Y70-V148 WeakPolarHBondContact CB-O 3.45Å; Y70-V148 WeakPolarHBondContact CD1-O 3.42Å; Y70-V148 HydrophobicContact CG-CG2 4.44Å; I114-V148 HydrophobicContact CG2-CG1 3.81Å; Q117-V148 HydrophobicContact CB-CG2 3.42Å; Q117-V148 VanDerWaalsContact CB-CG2 3.42Å; I118-V148 HydrophobicContact CG1-CB 4.38Å; I118-V148 HydrophobicContact CG1-CG1 4.15Å; I118-V148 HydrophobicContact CG1-CG2 3.89Å; I140-V148 HydrophobicContact CG2-CB 3.64Å; I140-V148 HydrophobicContact CG2-CG1 3.65Å; L141-V148 CarbonylContact O-C 3.5Å; L141-V148 WeakPolarHBondContact O-CA 3.4Å; L142-V148 HydrophobicContact CD2-CG1 3.91Å
149R96.6Very high84.3Confident14 Ų1437.4 Ų37.45%0.05321%0.207CC..EExtended strand (participates in β ladder)trans-129.1116.1167.5-54-67.6-173.5113.92.5108.3K69 Y70 E89 L91 L141 D143 E328K69-R149 VanDerWaalsContact O-CD 3.25Å; K69-R149 WeakPolarHBondContact O-CD 3.4Å; K69-R149 PolarHBondContact O-NE 2.85Å; Y70-R149 WeakPolarHBondContact O-CA 3.46Å; E89-R149 IonicContact OE1-CZ 3.7Å; E89-R149 IonicContact OE1-NH1 2.69Å; E89-R149 PolarHBondContact OE1-NH1 3.31Å; E89-R149 IonicContact OE1-NH2 3.13Å; E89-R149 IonicContact OE2-NH1 2.68Å; E89-R149 PolarHBondContact OE2-NH1 3.14Å; E89-R149 VanDerWaalsContact OE2-NH1 3.15Å; L91-R149 HydrophobicContact CD1-CB 3.54Å; L91-R149 HydrophobicContact CD1-CG 3.83Å; L91-R149 HydrophobicContact CD2-CB 4.45Å; L91-R149 HydrophobicContact CD2-CG 3.78Å; L91-R149 HydrophobicContact CG-CG 4.47Å; L141-R149 PolarHBondContact N-O 2.82Å; L141-R149 PolarHBondContact O-N 3.31Å; D143-R149 IonicContact OD2-CZ 3.89Å; D143-R149 IonicContact OD2-NE 2.74Å; D143-R149 PolarHBondContact OD2-NE 2.99Å; D143-R149 IonicContact OD2-NH2 2.9Å; D143-R149 PolarHBondContact OD2-NH2 3.11Å; R149-E328 IonicContact CZ-OE2 3.9Å; R149-E328 IonicContact NH2-OE2 2.77Å; R149-E328 PolarHBondContact NH2-OE2 3.38Å
150I97.1Very high82Confident0 Ų044.1 Ų44.10%024%0.238CC..EExtended strand (participates in β ladder)trans-69.3136.5175.5-51.1-55.9000109.5Y70 Y72 I118 A121 I122 L135 I140 F153Y70-I150 PolarHBondContact O-N 2.83Å; Y72-I150 WeakPolarHBondContact CD1-O 3.42Å; Y72-I150 PolarHBondContact N-O 3.32Å; I118-I150 HydrophobicContact CG2-CD1 4.28Å; A121-I150 HydrophobicContact CB-CD1 4.43Å; A121-I150 HydrophobicContact CB-CG1 3.59Å; I122-I150 HydrophobicContact CD1-CD1 4.25Å; I122-I150 HydrophobicContact CD1-CG1 4.03Å; I122-I150 HydrophobicContact CD1-CG2 4.31Å; L135-I150 HydrophobicContact CD2-CG2 4.35Å; I140-I150 HydrophobicContact CD1-CD1 3.89Å; I140-I150 HydrophobicContact CG1-CD1 3.76Å; I140-I150 HydrophobicContact CG2-CD1 4.21Å; I150-F153 HydrophobicContact CB-CE2 4.47Å; I150-F153 HydrophobicContact CB-CZ 4.39Å; I150-F153 HydrophobicContact CG2-CE2 4.05Å; I150-F153 HydrophobicContact CG2-CZ 4Å
151I92.8Very high79.4Confident30 Ų3049.3 Ų49.315%0.15427%0.266CS..  trans-132.6169.7-179.167.7153.6000113.2Y72 L91 H132 N139 L141Y72-I151 HydrophobicContact CD1-CB 4.25Å; Y72-I151 HydrophobicContact CD1-CG2 3.95Å; Y72-I151 HydrophobicContact CD2-CB 4.43Å; Y72-I151 HydrophobicContact CD2-CG2 3.86Å; Y72-I151 HydrophobicContact CE1-CB 4.14Å; Y72-I151 HydrophobicContact CE1-CG2 4.32Å; Y72-I151 HydrophobicContact CE2-CB 4.32Å; Y72-I151 HydrophobicContact CE2-CG2 4.25Å; Y72-I151 HydrophobicContact CG-CB 4.39Å; Y72-I151 HydrophobicContact CG-CG2 3.69Å; L91-I151 HydrophobicContact CD1-CG2 4.42Å; H132-I151 PolarHBondContact NE2-O 3Å; N139-I151 VanDerWaalsContact C-CG1 3.49Å; N139-I151 HydrophobicContact CB-CG1 4.4Å; N139-I151 WeakPolarHBondContact O-CG1 3.17Å; N139-I151 PolarHBondContact O-N 3.15Å; L141-I151 HydrophobicContact CB-CG2 4.5Å; L141-I151 HydrophobicContact CD1-CD1 3.99Å; L141-I151 HydrophobicContact CD1-CG2 4.1Å; L141-I151 HydrophobicContact CD2-CD1 4.14Å; L141-I151 HydrophobicContact CG-CD1 3.79Å; L141-I151 HydrophobicContact CG-CG1 4.18Å; L141-I151 HydrophobicContact CG-CG2 4.01Å
152D84.5Confident77Confident54 Ų5452.2 Ų52.229%0.28928%0.281SS..  trans64.962.2172.2-159.636.1000115.7K42 Y72 G154K42-D152 IonicContact NZ-OD1 3.31Å; K42-D152 PolarHBondContact NZ-OD1 3.15Å; Y72-D152 PolarHBondContact OH-N 2.81Å; D152-G154 PolarHBondContact O-N 3.03Å
153F83.4Confident74.4Confident0 Ų057.3 Ų57.30%032%0.317CS..G310 helixtrans-73.821.3178.3-70.4-110.8000113.2E59 A62 L63 L66 I71 Y72 I125 H132 I150 L155 C156E59-F153 HydrophobicContact CG-CB 4.36Å; A62-F153 HydrophobicContact CB-CB 4.17Å; A62-F153 HydrophobicContact CB-CD1 4.12Å; A62-F153 HydrophobicContact CB-CG 4.49Å; L63-F153 HydrophobicContact CD2-CD2 3.94Å; L63-F153 HydrophobicContact CD2-CE2 4.11Å; L63-F153 HydrophobicContact CD2-CG 4.33Å; L66-F153 HydrophobicContact CD1-CD1 3.81Å; L66-F153 HydrophobicContact CD1-CE1 3.43Å; L66-F153 VanDerWaalsContact CD1-CE1 3.43Å; L66-F153 HydrophobicContact CD1-CZ 4.32Å; I71-F153 HydrophobicContact CD1-CZ 4.25Å; I71-F153 HydrophobicContact CG1-CZ 4.38Å; I71-F153 HydrophobicContact CG2-CE2 3.87Å; I71-F153 HydrophobicContact CG2-CZ 3.64Å; Y72-F153 HydrophobicContact CD1-CE2 4.22Å; Y72-F153 AromaticContact CE1-CD2 3.73Å; Y72-F153 HydrophobicContact CE1-CD2 3.73Å; Y72-F153 AromaticContact CE1-CE2 3.86Å; Y72-F153 HydrophobicContact CE1-CE2 3.86Å; I125-F153 HydrophobicContact CD1-CE1 3.58Å; I125-F153 HydrophobicContact CD1-CZ 3.77Å; I125-F153 HydrophobicContact CG1-CE1 4.09Å; H132-F153 AromaticContact CD2-CD1 3.97Å; H132-F153 AromaticContact CD2-CE1 3.86Å; I150-F153 HydrophobicContact CB-CE2 4.47Å; I150-F153 HydrophobicContact CB-CZ 4.39Å; I150-F153 HydrophobicContact CG2-CE2 4.05Å; I150-F153 HydrophobicContact CG2-CZ 4Å; F153-L155 PolarHBondContact O-N 2.98Å; F153-C156 HydrophobicContact CB-CB 3.8Å; F153-C156 HydrophobicContact CD1-CB 3.94Å; F153-C156 HydrophobicContact CG-CB 4.34Å; F153-C156 WeakPolarHBondContact O-CB 3.45Å; F153-C156 PolarHBondContact O-N 3.28Å
154G70.2Confident71.9Confident12 Ų1262 Ų6212%0.12434%0.34CS..G310 helixtrans-65.7-20.7-176.200000114.9R55 D152R55-G154 WeakPolarHBondContact CA-O 3.26Å; R55-G154 VanDerWaalsContact CB-O 3.23Å; R55-G154 WeakPolarHBondContact CB-O 3.45Å; R55-G154 WeakPolarHBondContact CG-O 3.38Å; D152-G154 PolarHBondContact O-N 3.03Å
155L67.4Low69.8Low32 Ų3257.9 Ų57.917%0.16832%0.318CS..G310 helixtrans-104.64.2170.3-54.6-162.9000113.1R55 R133 D134 F153 L165R55-L155 HydrophobicContact CG-CD2 4.46Å; R55-L155 VanDerWaalsContact NE-CD2 3.27Å; R133-L155 HydrophobicContact CB-CB 4.29Å; D134-L155 HydrophobicContact CB-CB 4.48Å; D134-L155 HydrophobicContact CB-CD1 3.99Å; D134-L155 HydrophobicContact CB-CG 4.27Å; F153-L155 PolarHBondContact O-N 2.98Å; L155-L165 HydrophobicContact CD1-CD1 4.17Å; L155-L165 HydrophobicContact CD1-CD2 4.38Å; L155-L165 HydrophobicContact CD2-CD2 4.01Å
156C72.5Confident67.3Low13 Ų1355.9 Ų55.99%0.08831%0.307CS..  trans-68.9134.9-177.7-169.20000110.8A62 A131 F153A62-C156 HydrophobicContact CB-CB 4.25Å; A131-C156 WeakPolarHBondContact O-CA 3.42Å; A131-C156 PolarHBondContact O-SG 3.5Å; F153-C156 HydrophobicContact CB-CB 3.8Å; F153-C156 HydrophobicContact CD1-CB 3.94Å; F153-C156 HydrophobicContact CG-CB 4.34Å; F153-C156 WeakPolarHBondContact O-CB 3.45Å; F153-C156 PolarHBondContact O-N 3.28Å
157A69Low65Low25 Ų2553.8 Ų53.821%0.20730%0.301CS..EExtended strand (participates in β ladder)trans-141.1142.4-177.200000111.6F130 A131F130-A157 WeakPolarHBondContact CA-O 3.49Å; A131-A157 PolarHBondContact N-O 2.93Å; A131-A157 PolarHBondContact O-N 2.67Å
158K64.9Low62.8Low100 Ų10055.2 Ų55.244%0.43531%0.305SS..EExtended strand (participates in β ladder)trans-88.5134179.5-156.9172-170.9172.20111.4G129 F130 N161G129-K158 WeakPolarHBondContact O-CA 3.47Å; G129-K158 WeakPolarHBondContact O-CG 3.24Å; F130-K158 HydrophobicContact CD1-CB 3.92Å; F130-K158 HydrophobicContact CD1-CG 4.26Å; F130-K158 HydrophobicContact CD2-CG 4.37Å; F130-K158 HydrophobicContact CE1-CB 3.76Å; F130-K158 HydrophobicContact CE1-CD 4.22Å; F130-K158 HydrophobicContact CE1-CG 4.1Å; F130-K158 HydrophobicContact CE2-CD 3.97Å; F130-K158 HydrophobicContact CE2-CG 4.21Å; F130-K158 HydrophobicContact CG-CG 4.4Å; F130-K158 HydrophobicContact CZ-CB 4.21Å; F130-K158 HydrophobicContact CZ-CD 3.78Å; F130-K158 HydrophobicContact CZ-CG 4.08Å; K158-N161 PolarHBondContact O-ND2 2.94Å
159G52.9Low60Low42 Ų4258.1 Ų58.143%0.43333%0.325SS..THydrogen-bonded Turntrans65.7-163.9-17900000114.1G129 N161G129-G159 PolarHBondContact O-N 2.93Å; G159-N161 PolarHBondContact O-N 3.12Å; G159-N161 VanDerWaalsContact O-N 3.11Å
160H45.2Very low57.8Low149 Ų14958.2 Ų58.269%0.6933%0.331SS*.THydrogen-bonded Turntrans-70.2-1-176.5-75.2-78.5000115.1L162H160-L162 WeakPolarHBondContact O-CD2 3.34Å; H160-L162 VanDerWaalsContact O-CG 3.27Å; H160-L162 WeakPolarHBondContact O-CG 3.24Å; H160-L162 PolarHBondContact O-N 2.69Å; H160-L162 VanDerWaalsContact O-N 3.13Å
161N42.6Very low56.2Low109 Ų10958.6 Ų58.658%0.58333%0.334SS*.  trans-42.8117.1-165.5-82.9-55.2000113.9R133 K158 G159R133-N161 PolarHBondContact NH1-O 3.23Å; R133-N161 PolarHBondContact NH2-O 3.3Å; K158-N161 PolarHBondContact O-ND2 2.94Å; G159-N161 PolarHBondContact O-N 3.12Å; G159-N161 VanDerWaalsContact O-N 3.11Å
162L44.7Very low55.5Low96 Ų9658.4 Ų58.450%0.50333%0.332SS..  trans-96.4-5.8-155.7-59.7164.4000113.5H160 M164 E184H160-L162 WeakPolarHBondContact O-CD2 3.34Å; H160-L162 VanDerWaalsContact O-CG 3.27Å; H160-L162 WeakPolarHBondContact O-CG 3.24Å; H160-L162 PolarHBondContact O-N 2.69Å; H160-L162 VanDerWaalsContact O-N 3.13Å; L162-M164 PolarHBondContact O-N 3.25Å; L162-E184 HydrophobicContact CD2-CB 4.06Å; L162-E184 HydrophobicContact CD2-CG 3.98Å
163S37.5Very low55.6Low110 Ų11055.9 Ų55.977%0.76932%0.318SS*.  trans-70.494.5-170.656.20000112.6
164M37.7Very low55.9Low112 Ų11256.1 Ų56.155%0.55232%0.319SS*.  trans-7.3123.6173-66.1-175.8-75.400118L162 N166L162-M164 PolarHBondContact O-N 3.25Å; M164-N166 HydrophobicContact CB-CB 4.48Å; M164-N166 WeakPolarHBondContact CE-ND2 3.09Å; M164-N166 PolarHBondContact O-N 3.14Å; M164-N166 PolarHBondContact SD-OD1 3.42Å
165L40.7Very low56.8Low43 Ų4356.8 Ų56.823%0.22532%0.321CS..  trans-75.255.7161.1-71.8169.2000111.5L155 T167 F168L155-L165 HydrophobicContact CD1-CD1 4.17Å; L155-L165 HydrophobicContact CD1-CD2 4.38Å; L155-L165 HydrophobicContact CD2-CD2 4.01Å; L165-T167 CarbonylContact O-C 3.58Å; L165-T167 VanDerWaalsContact O-C 3.3Å; L165-T167 PolarHBondContact O-N 2.94Å; L165-T167 VanDerWaalsContact O-N 3.08Å; L165-F168 PolarHBondContact O-N 2.91Å
166N34.7Very low58Low87 Ų8755.3 Ų55.347%0.46531%0.313SS..  trans-57.1-26.6-177.6-88.4-16.1000113.4M164 F168 K651M164-N166 HydrophobicContact CB-CB 4.48Å; M164-N166 WeakPolarHBondContact CE-ND2 3.09Å; M164-N166 PolarHBondContact O-N 3.14Å; M164-N166 PolarHBondContact SD-OD1 3.42Å; N166-F168 VanDerWaalsContact O-CD2 3.32Å; N166-F168 WeakPolarHBondContact O-CD2 3.47Å; N166-F168 PolarHBondContact O-N 3.39Å; N166-K651 PolarHBondContact O-NZ 2.88Å; N166-K651 VanDerWaalsContact O-NZ 3.17Å
167T40.4Very low58.9Low59 Ų5955.4 Ų55.436%0.36231%0.314SS..SBendtrans-71.677.3160.314.10000110.5R55 L165 C169R55-T167 PolarHBondContact NH2-O 3.49Å; R55-T167 PolarHBondContact NH2-OG1 2.79Å; L165-T167 CarbonylContact O-C 3.58Å; L165-T167 VanDerWaalsContact O-C 3.3Å; L165-T167 PolarHBondContact O-N 2.94Å; L165-T167 VanDerWaalsContact O-N 3.08Å; T167-C169 VanDerWaalsContact C-N 3.33Å; T167-C169 PolarHBondContact O-N 3.22Å
168F46.9Very low59.9Low72 Ų7255.3 Ų55.332%0.31631%0.309SS..  trans-58.294.3169-53.5-165.1000108.2L165 N166 F172 K651 R735L165-F168 PolarHBondContact O-N 2.91Å; N166-F168 VanDerWaalsContact O-CD2 3.32Å; N166-F168 WeakPolarHBondContact O-CD2 3.47Å; N166-F168 PolarHBondContact O-N 3.39Å; F168-F172 HydrophobicContact CB-CE1 4.36Å; F168-F172 HydrophobicContact CB-CZ 3.97Å; F168-F172 AromaticContact CD1-CE1 4Å; F168-F172 HydrophobicContact CD1-CE1 4Å; F168-F172 AromaticContact CD1-CZ 3.96Å; F168-F172 HydrophobicContact CD1-CZ 3.96Å; F168-F172 HydrophobicContact CG-CZ 4.5Å; F168-K651 HydrophobicContact CB-CD 4.23Å; F168-K651 HydrophobicContact CD1-CD 4.02Å; F168-K651 HydrophobicContact CE1-CD 4.5Å; F168-K651 HydrophobicContact CG-CD 4.15Å; F168-R735 PolarHBondContact O-NH2 2.93Å
169C38.1Very low60.9Low61 Ų6152.1 Ų52.141%0.41230%0.298SS..  trans-128.2-9.1-174.7-70.40000114.2T167 R735T167-C169 VanDerWaalsContact C-N 3.33Å; T167-C169 PolarHBondContact O-N 3.22Å; C169-R735 PolarHBondContact SG-NH2 3.2Å
170G49.8Very low62.3Low17 Ų1752.3 Ų52.318%0.17529%0.288CS..SBendtrans-75.8165.8177.300000113.6F172G170-F172 PolarHBondContact O-N 3.03Å
171S65Low64Low8 Ų847.7 Ų47.76%0.05628%0.276CS..  trans-74.8100.1174.6-720000110A173 Y174 D737S171-A173 PolarHBondContact O-N 2.67Å; S171-Y174 WeakPolarHBondContact O-CD2 3.14Å; S171-Y174 PolarHBondContact O-N 2.88Å; S171-D737 WeakPolarHBondContact OG-CA 3.44Å
172F77.9Confident65.5Low26 Ų2646 Ų4611%0.11427%0.268CS..G310 helixtrans-49.4-27.6-171.5-70.3-75.2000115.9F168 G170 Y174 V175 L180 L217 I221 V653F168-F172 HydrophobicContact CB-CE1 4.36Å; F168-F172 HydrophobicContact CB-CZ 3.97Å; F168-F172 AromaticContact CD1-CE1 4Å; F168-F172 HydrophobicContact CD1-CE1 4Å; F168-F172 AromaticContact CD1-CZ 3.96Å; F168-F172 HydrophobicContact CD1-CZ 3.96Å; F168-F172 HydrophobicContact CG-CZ 4.5Å; G170-F172 PolarHBondContact O-N 3.03Å; F172-Y174 VanDerWaalsContact C-N 3.26Å; F172-Y174 PolarHBondContact O-N 3.32Å; F172-V175 WeakPolarHBondContact O-CB 3.41Å; F172-V175 PolarHBondContact O-N 2.75Å; F172-V175 VanDerWaalsContact O-N 3.12Å; F172-L180 HydrophobicContact CD1-CD2 3.7Å; F172-L180 HydrophobicContact CE1-CD2 4.26Å; F172-L217 HydrophobicContact CB-CD2 3.81Å; F172-I221 VanDerWaalsContact O-CD1 3.24Å; F172-I221 WeakPolarHBondContact O-CD1 3.38Å; F172-V653 HydrophobicContact CD2-CB 4.05Å; F172-V653 HydrophobicContact CD2-CG1 4.15Å; F172-V653 HydrophobicContact CE2-CB 3.96Å; F172-V653 HydrophobicContact CE2-CG1 3.75Å; F172-V653 HydrophobicContact CZ-CG1 4.37Å
173A85.5Confident66.7Low1 Ų148.6 Ų48.61%0.00828%0.275CS..G310 helixtrans-57.1-32.6-17900000114.7S171 L207 L217 D737S171-A173 PolarHBondContact O-N 2.67Å; A173-L207 HydrophobicContact CB-CD1 3.47Å; A173-L207 VanDerWaalsContact CB-CD1 3.47Å; A173-L207 HydrophobicContact CB-CD2 3.9Å; A173-L207 HydrophobicContact CB-CG 4.31Å; A173-L217 HydrophobicContact CB-CD2 4.36Å; A173-D737 HydrophobicContact CB-CB 4.26Å
174Y91.4Very high68.5Low5 Ų550.5 Ų50.52%0.0227%0.271CS..G310 helixtrans-96.3-2.5-179.1-45.1-84.9000113.1L135 K136 P137 S171 F172 S194 V197 I198 L207 D737 F739L135-Y174 VanDerWaalsContact O-CB 3.23Å; L135-Y174 WeakPolarHBondContact O-CB 3.34Å; K136-Y174 HydrophobicContact CB-CD1 4.34Å; K136-Y174 HydrophobicContact CB-CD2 3.45Å; K136-Y174 VanDerWaalsContact CB-CD2 3.45Å; K136-Y174 HydrophobicContact CB-CE1 4.4Å; K136-Y174 HydrophobicContact CB-CE2 3.52Å; K136-Y174 HydrophobicContact CB-CG 3.91Å; P137-Y174 VanDerWaalsContact CD-CZ 3.43Å; P137-Y174 WeakPolarHBondContact CD-OH 3.23Å; P137-Y174 HydrophobicContact CG-CE1 4.14Å; S171-Y174 WeakPolarHBondContact O-CD2 3.14Å; S171-Y174 PolarHBondContact O-N 2.88Å; F172-Y174 VanDerWaalsContact C-N 3.26Å; F172-Y174 PolarHBondContact O-N 3.32Å; Y174-S194 WeakPolarHBondContact O-CB 3.39Å; Y174-S194 PolarHBondContact O-OG 2.68Å; Y174-V197 HydrophobicContact CD1-CB 3.94Å; Y174-V197 HydrophobicContact CD1-CG1 3.38Å; Y174-V197 HydrophobicContact CE1-CG1 3.72Å; Y174-V197 HydrophobicContact CG-CG1 4.27Å; Y174-I198 HydrophobicContact CD1-CG1 4.22Å; Y174-I198 HydrophobicContact CE1-CG1 4.46Å; Y174-L207 HydrophobicContact CE1-CD2 3.96Å; Y174-D737 WeakPolarHBondContact CE2-OD2 3.47Å; Y174-D737 VanDerWaalsContact CZ-OD2 3.3Å; Y174-D737 PolarHBondContact OH-OD2 3.46Å; Y174-F739 WeakPolarHBondContact OH-CD2 3.22Å
175V88.9Confident70.6Confident26 Ų2647.5 Ų47.516%0.15825%0.254CS..  trans-84.9131.2-171-178.70000110.3F172 V179 L180 W193F172-V175 WeakPolarHBondContact O-CB 3.41Å; F172-V175 PolarHBondContact O-N 2.75Å; F172-V175 VanDerWaalsContact O-N 3.12Å; V175-V179 HydrophobicContact CG1-CB 3.67Å; V175-V179 HydrophobicContact CG1-CG1 3.68Å; V175-L180 HydrophobicContact CB-CD2 3.91Å; V175-L180 HydrophobicContact CB-CG 4.42Å; V175-L180 HydrophobicContact CG1-CD2 3.54Å; V175-L180 HydrophobicContact CG1-CG 3.96Å; V175-W193 PolarHBondContact O-NE1 2.77Å
176A91.2Very high72.7Confident1 Ų147.6 Ų47.61%0.00826%0.258CS..  trans-69148.7-177.500000112.6E178 V179 L180 A190 W193A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 WeakPolarHBondContact CB-OE1 3.27Å; A176-E178 WeakPolarHBondContact CB-OE2 3.4Å; A176-E178 PolarHBondContact O-N 3.1Å; A176-V179 HydrophobicContact CB-CG2 4.2Å; A176-V179 WeakPolarHBondContact O-CB 3.25Å; A176-V179 PolarHBondContact O-N 3.12Å; A176-L180 PolarHBondContact O-N 3Å; A176-L180 VanDerWaalsContact O-N 3.15Å; A176-A190 HydrophobicContact CB-CB 4.07Å; A176-W193 HydrophobicContact CB-CB 3.78Å; A176-W193 HydrophobicContact CB-CD2 4.33Å; A176-W193 HydrophobicContact CB-CG 3.75Å
177P91.7Very high75.2Confident15 Ų1543.8 Ų43.810%0.09724%0.24CC..Hα-helixtrans-55.6-38-175.8-25.333.4000113.8V179 L180 A181 W193 I221 V246P177-V179 VanDerWaalsContact C-N 3.29Å; P177-V179 PolarHBondContact O-N 3.05Å; P177-L180 PolarHBondContact O-N 3.36Å; P177-A181 PolarHBondContact O-N 3.38Å; P177-W193 HydrophobicContact CG-CE3 4.26Å; P177-W193 HydrophobicContact CG-CH2 3.55Å; P177-W193 HydrophobicContact CG-CZ2 3.88Å; P177-W193 HydrophobicContact CG-CZ3 3.76Å; P177-I221 HydrophobicContact CB-CG2 4.28Å; P177-I221 HydrophobicContact CG-CG2 3.78Å; P177-V246 HydrophobicContact CB-CG1 4.23Å; P177-V246 HydrophobicContact CG-CG1 4.2Å; P177-V246 HydrophobicContact CG-CG2 4.5Å
178E90.6Very high77.7Confident22 Ų2243.3 Ų43.310%0.10324%0.239CC..Hα-helixtrans-68.2-27178.967.7-83.4-16600113.5A176 P248 R251A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 WeakPolarHBondContact CB-OE1 3.27Å; A176-E178 WeakPolarHBondContact CB-OE2 3.4Å; A176-E178 PolarHBondContact O-N 3.1Å; E178-P248 HydrophobicContact CG-CG 4.38Å; E178-R251 IonicContact OE1-CZ 2.71Å; E178-R251 IonicContact OE1-NH1 3.79Å; E178-R251 PolarHBondContact OE1-NH1 2.94Å; E178-R251 IonicContact OE1-NH2 2.79Å; E178-R251 PolarHBondContact OE1-NH2 3.44Å; E178-R251 IonicContact OE2-CZ 3.26Å; E178-R251 IonicContact OE2-NH1 3.48Å; E178-R251 IonicContact OE2-NH2 2.85Å; E178-R251 PolarHBondContact OE2-NH2 3.37Å
179V86Confident79.9Confident34 Ų3440.6 Ų40.621%0.20623%0.23CC..Hα-helixtrans-77.1-40174.7-175.90000110.2V175 A176 P177 A181 N182 Y185 A190V175-V179 HydrophobicContact CG1-CB 3.67Å; V175-V179 HydrophobicContact CG1-CG1 3.68Å; A176-V179 HydrophobicContact CB-CG2 4.2Å; A176-V179 WeakPolarHBondContact O-CB 3.25Å; A176-V179 PolarHBondContact O-N 3.12Å; P177-V179 VanDerWaalsContact C-N 3.29Å; P177-V179 PolarHBondContact O-N 3.05Å; V179-A181 PolarHBondContact O-N 3.05Å; V179-N182 PolarHBondContact O-N 3.26Å; V179-Y185 HydrophobicContact CG1-CE1 4.18Å; V179-Y185 HydrophobicContact CG2-CD1 3.91Å; V179-Y185 HydrophobicContact CG2-CD2 3.69Å; V179-Y185 HydrophobicContact CG2-CE1 4.01Å; V179-Y185 HydrophobicContact CG2-CE2 3.79Å; V179-Y185 HydrophobicContact CG2-CG 3.77Å; V179-A190 HydrophobicContact CG2-CB 3.9Å
180L82.7Confident82.6Confident45 Ų4538 Ų3824%0.23621%0.213CC..Hα-helixtrans-62.7-32.8173.4-61.4-175.2000112.4F172 V175 A176 P177 N182 P218 I221F172-L180 HydrophobicContact CD1-CD2 3.7Å; F172-L180 HydrophobicContact CE1-CD2 4.26Å; V175-L180 HydrophobicContact CB-CD2 3.91Å; V175-L180 HydrophobicContact CB-CG 4.42Å; V175-L180 HydrophobicContact CG1-CD2 3.54Å; V175-L180 HydrophobicContact CG1-CG 3.96Å; A176-L180 PolarHBondContact O-N 3Å; A176-L180 VanDerWaalsContact O-N 3.15Å; P177-L180 PolarHBondContact O-N 3.36Å; L180-N182 PolarHBondContact O-N 3.18Å; L180-P218 HydrophobicContact CD1-CB 4.1Å; L180-I221 HydrophobicContact CD1-CB 3.87Å; L180-I221 HydrophobicContact CD1-CD1 3.99Å; L180-I221 HydrophobicContact CD1-CG2 3.48Å; L180-I221 VanDerWaalsContact CD1-CG2 3.48Å
181A81.1Confident84.7Confident53 Ų5337.2 Ų37.244%0.43821%0.205SC..THydrogen-bonded Turntrans-70.8-3.5173.800000114P177 V179 K183P177-A181 PolarHBondContact O-N 3.38Å; V179-A181 PolarHBondContact O-N 3.05Å; A181-K183 HydrophobicContact CB-CD 4.09Å; A181-K183 HydrophobicContact CB-CG 4.07Å; A181-K183 PolarHBondContact O-N 3.38Å
182N72.6Confident86.3Confident74 Ų7437 Ų3740%0.39620%0.203SC..THydrogen-bonded Turntrans49.238.5-175.6-16048.5000113.6V179 L180V179-N182 PolarHBondContact O-N 3.26Å; L180-N182 PolarHBondContact O-N 3.18Å
183K70.6Confident87.2Confident150 Ų15035.8 Ų35.865%0.65220%0.198SC*.  trans-96.2171.4175.5-66.8179.3-178176.80110.2A181 Y185A181-K183 HydrophobicContact CB-CD 4.09Å; A181-K183 HydrophobicContact CB-CG 4.07Å; A181-K183 PolarHBondContact O-N 3.38Å; K183-Y185 WeakPolarHBondContact O-CD1 3.34Å
184E74.4Confident87.7Confident150 Ų15036.1 Ų36.170%0.70120%0.2SC*.  trans-63.9134.4164.9-60.5-174.3164.300110.1L162L162-E184 HydrophobicContact CD2-CB 4.06Å; L162-E184 HydrophobicContact CD2-CG 3.98Å
185Y81.5Confident88.1Confident48 Ų4835.9 Ų35.919%0.18820%0.199CC..  trans-140.5157.6-175.964.9-87.9000112.1V179 K183 G187 A190V179-Y185 HydrophobicContact CG1-CE1 4.18Å; V179-Y185 HydrophobicContact CG2-CD1 3.91Å; V179-Y185 HydrophobicContact CG2-CD2 3.69Å; V179-Y185 HydrophobicContact CG2-CE1 4.01Å; V179-Y185 HydrophobicContact CG2-CE2 3.79Å; V179-Y185 HydrophobicContact CG2-CG 3.77Å; K183-Y185 WeakPolarHBondContact O-CD1 3.34Å; Y185-G187 PolarHBondContact O-N 2.89Å; Y185-A190 HydrophobicContact CD2-CB 3.9Å; Y185-A190 HydrophobicContact CE2-CB 4.12Å
186S86.4Confident88.5Confident45 Ų4534.7 Ų34.732%0.31519%0.192SC..  trans-81.1114.8167.7177.90000109.4S188 A189 A190S186-S188 VanDerWaalsContact C-N 3.26Å; S186-S188 PolarHBondContact O-N 2.76Å; S186-S188 PolarHBondContact OG-OG 3.39Å; S186-A189 PolarHBondContact O-N 3.06Å; S186-A189 VanDerWaalsContact O-N 3.1Å; S186-A190 PolarHBondContact O-N 3.38Å
187G87.4Confident88.8Confident8 Ų834.6 Ų34.68%0.08219%0.191CC..Hα-helixtrans-57.2-38.3179.700000113.1A131 Y185 A190 D191A131-G187 VanDerWaalsContact CB-C 3.45Å; Y185-G187 PolarHBondContact O-N 2.89Å; G187-A190 PolarHBondContact O-N 3.32Å; G187-D191 PolarHBondContact O-N 3.4Å
188S91.9Very high89.1Confident48 Ų4833.9 Ų33.934%0.33619%0.187SC..Hα-helixtrans-69.3-35.9176.750.30000112.8H126 S186 D191 I192H126-S188 VanDerWaalsContact CE1-CA 3.42Å; H126-S188 WeakPolarHBondContact CE1-CA 3.34Å; H126-S188 VanDerWaalsContact CE1-CB 3.41Å; H126-S188 WeakPolarHBondContact CE1-CB 3.48Å; H126-S188 PolarHBondContact CE1-O 3.49Å; H126-S188 WeakPolarHBondContact ND1-CB 3.39Å; S186-S188 VanDerWaalsContact C-N 3.26Å; S186-S188 PolarHBondContact O-N 2.76Å; S186-S188 PolarHBondContact OG-OG 3.39Å; S188-D191 PolarHBondContact O-N 3.43Å; S188-I192 WeakPolarHBondContact O-CG1 3.32Å; S188-I192 PolarHBondContact O-N 3.04Å; S188-I192 VanDerWaalsContact O-N 3.14Å
189A94.1Very high89.5Confident16 Ų1632.9 Ų32.913%0.13218%0.182CC..Hα-helixtrans-68.1-36.7173.600000111.9S186 I192 W193 P248 R251S186-A189 PolarHBondContact O-N 3.06Å; S186-A189 VanDerWaalsContact O-N 3.1Å; A189-I192 PolarHBondContact O-N 2.8Å; A189-W193 PolarHBondContact O-N 2.92Å; A189-P248 HydrophobicContact CB-CB 4.17Å; A189-R251 VanDerWaalsContact C-NH1 3.31Å; A189-R251 WeakPolarHBondContact O-CD 3.14Å; A189-R251 PolarHBondContact O-NH1 3.49Å
190A93.1Very high90Very high7 Ų731.2 Ų31.26%0.05817%0.172CC..Hα-helixtrans-64.4-43.3174.500000111.4A176 V179 Y185 S186 G187 I192 W193 S194A176-A190 HydrophobicContact CB-CB 4.07Å; V179-A190 HydrophobicContact CG2-CB 3.9Å; Y185-A190 HydrophobicContact CD2-CB 3.9Å; Y185-A190 HydrophobicContact CE2-CB 4.12Å; S186-A190 PolarHBondContact O-N 3.38Å; G187-A190 PolarHBondContact O-N 3.32Å; A190-I192 VanDerWaalsContact C-N 3.32Å; A190-I192 PolarHBondContact O-N 3.28Å; A190-W193 WeakPolarHBondContact O-CB 3.46Å; A190-W193 PolarHBondContact O-N 3.19Å; A190-W193 VanDerWaalsContact O-N 3.11Å; A190-S194 PolarHBondContact O-N 3.21Å; A190-S194 VanDerWaalsContact O-N 3.14Å; A190-S194 PolarHBondContact O-OG 2.88Å
191D95.2Very high90.7Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-58.2-40.6173.5-73.2-20.1000111.9I122 H126 A131 H132 R133 L135 G187 S188 W193 S194 L195I122-D191 HydrophobicContact CG2-CB 4.14Å; H126-D191 IonicContact CD2-OD2 2.84Å; H126-D191 IonicContact CE1-OD2 3.68Å; H126-D191 IonicContact NE2-OD2 3.38Å; H126-D191 PolarHBondContact NE2-OD2 3.38Å; A131-D191 WeakPolarHBondContact CA-OD2 3.36Å; A131-D191 WeakPolarHBondContact CB-OD2 3.46Å; H132-D191 PolarHBondContact N-OD1 2.57Å; H132-D191 PolarHBondContact N-OD2 3.33Å; R133-D191 PolarHBondContact N-OD1 3.33Å; L135-D191 HydrophobicContact CD1-CB 3.75Å; G187-D191 PolarHBondContact O-N 3.4Å; S188-D191 PolarHBondContact O-N 3.43Å; D191-W193 VanDerWaalsContact C-N 3.31Å; D191-W193 PolarHBondContact O-N 2.89Å; D191-S194 WeakPolarHBondContact O-CB 3.33Å; D191-S194 PolarHBondContact O-N 3.19Å; D191-L195 WeakPolarHBondContact O-CG 3.38Å; D191-L195 PolarHBondContact O-N 3.43Å
192I98Very high91.5Very high3 Ų326.6 Ų26.62%0.01514%0.14CC..Hα-helixtrans-60.2-38.3175.3-63.8-70.8000112.1S188 A189 A190 L195 G196 M243 R251 I252 M254 L257S188-I192 WeakPolarHBondContact O-CG1 3.32Å; S188-I192 PolarHBondContact O-N 3.04Å; S188-I192 VanDerWaalsContact O-N 3.14Å; A189-I192 PolarHBondContact O-N 2.8Å; A190-I192 VanDerWaalsContact C-N 3.32Å; A190-I192 PolarHBondContact O-N 3.28Å; I192-L195 HydrophobicContact CD1-CD1 4.44Å; I192-L195 PolarHBondContact O-N 3.08Å; I192-G196 PolarHBondContact O-N 2.91Å; I192-M243 HydrophobicContact CG2-CB 4.17Å; I192-M243 HydrophobicContact CG2-CG 3.94Å; I192-M243 HydrophobicContact CG2-SD 4.46Å; I192-R251 HydrophobicContact CG2-CG 3.94Å; I192-I252 HydrophobicContact CG2-CG2 3.84Å; I192-I252 WeakPolarHBondContact CG2-O 3.23Å; I192-M254 HydrophobicContact CD1-CB 4.44Å; I192-M254 HydrophobicContact CD1-CE 3.76Å; I192-M254 HydrophobicContact CD1-SD 4.34Å; I192-L257 HydrophobicContact CD1-CD2 3.59Å
193W97.4Very high92.7Very high0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-63.6-46175.1172.2-79000110.8V175 A176 P177 A189 A190 D191 L195 G196 V197 F209 I221 I244 V246V175-W193 PolarHBondContact O-NE1 2.77Å; A176-W193 HydrophobicContact CB-CB 3.78Å; A176-W193 HydrophobicContact CB-CD2 4.33Å; A176-W193 HydrophobicContact CB-CG 3.75Å; P177-W193 HydrophobicContact CG-CE3 4.26Å; P177-W193 HydrophobicContact CG-CH2 3.55Å; P177-W193 HydrophobicContact CG-CZ2 3.88Å; P177-W193 HydrophobicContact CG-CZ3 3.76Å; A189-W193 PolarHBondContact O-N 2.92Å; A190-W193 WeakPolarHBondContact O-CB 3.46Å; A190-W193 PolarHBondContact O-N 3.19Å; A190-W193 VanDerWaalsContact O-N 3.11Å; D191-W193 VanDerWaalsContact C-N 3.31Å; D191-W193 PolarHBondContact O-N 2.89Å; W193-L195 VanDerWaalsContact C-N 3.29Å; W193-L195 PolarHBondContact O-N 3.38Å; W193-G196 WeakPolarHBondContact O-CA 3.35Å; W193-G196 PolarHBondContact O-N 3Å; W193-V197 PolarHBondContact O-N 2.9Å; W193-F209 HydrophobicContact CH2-CE2 4.1Å; W193-F209 AromaticContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CZ2-CD2 4.5Å; W193-F209 AromaticContact CZ2-CE2 3.44Å; W193-F209 HydrophobicContact CZ2-CE2 3.44Å; W193-F209 VanDerWaalsContact CZ2-CE2 3.44Å; W193-F209 AromaticContact CZ2-CZ 3.73Å; W193-F209 HydrophobicContact CZ2-CZ 3.73Å; W193-I221 HydrophobicContact CZ2-CG2 3.83Å; W193-I244 HydrophobicContact CD2-CG2 4.36Å; W193-I244 HydrophobicContact CE3-CG2 4.07Å; W193-I244 HydrophobicContact CH2-CG2 3.55Å; W193-I244 HydrophobicContact CZ2-CG2 3.84Å; W193-I244 VanDerWaalsContact CZ3-C 3.48Å; W193-I244 HydrophobicContact CZ3-CB 4.42Å; W193-I244 HydrophobicContact CZ3-CG2 3.67Å; W193-V246 HydrophobicContact CH2-CG2 4.42Å; W193-V246 HydrophobicContact CZ3-CG2 4.3Å
194S96.4Very high93.9Very high9 Ų917.3 Ų17.36%0.06310%0.099CC..Hα-helixtrans-60.3-38.7176-510000112Y174 A190 D191 G196 V197 I198Y174-S194 WeakPolarHBondContact O-CB 3.39Å; Y174-S194 PolarHBondContact O-OG 2.68Å; A190-S194 PolarHBondContact O-N 3.21Å; A190-S194 VanDerWaalsContact O-N 3.14Å; A190-S194 PolarHBondContact O-OG 2.88Å; D191-S194 WeakPolarHBondContact O-CB 3.33Å; D191-S194 PolarHBondContact O-N 3.19Å; S194-G196 VanDerWaalsContact C-N 3.33Å; S194-G196 PolarHBondContact O-N 3.07Å; S194-V197 PolarHBondContact O-N 3.4Å; S194-I198 VanDerWaalsContact O-CG1 3.28Å; S194-I198 WeakPolarHBondContact O-CG1 3.47Å; S194-I198 PolarHBondContact O-N 3.41Å
195L98.4Very high94.7Very high0 Ų011.1 Ų11.10%08%0.075CC..Hα-helixtrans-62.3-37.4171.3-69.1-177.1000112.7F115 I118 I122 L135 D191 I192 W193 I198 L199 M243 M254 L257F115-L195 HydrophobicContact CE2-CB 4.05Å; F115-L195 HydrophobicContact CE2-CD2 4.36Å; F115-L195 WeakPolarHBondContact CE2-O 3.3Å; F115-L195 HydrophobicContact CZ-CB 4.06Å; I118-L195 HydrophobicContact CG2-CD2 3.33Å; I122-L195 HydrophobicContact CB-CD1 4.24Å; I122-L195 HydrophobicContact CG1-CD1 4.36Å; I122-L195 HydrophobicContact CG1-CD2 4.13Å; I122-L195 HydrophobicContact CG2-CD1 4.24Å; L135-L195 HydrophobicContact CD1-CD2 4.16Å; L135-L195 HydrophobicContact CD1-CG 4.27Å; D191-L195 WeakPolarHBondContact O-CG 3.38Å; D191-L195 PolarHBondContact O-N 3.43Å; I192-L195 HydrophobicContact CD1-CD1 4.44Å; I192-L195 PolarHBondContact O-N 3.08Å; W193-L195 VanDerWaalsContact C-N 3.29Å; W193-L195 PolarHBondContact O-N 3.38Å; L195-I198 HydrophobicContact CD2-CD1 4.48Å; L195-I198 PolarHBondContact O-N 3.04Å; L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 PolarHBondContact O-N 3.38Å; L195-M243 HydrophobicContact CB-SD 4.12Å; L195-M254 HydrophobicContact CD1-CE 4.28Å; L195-L257 HydrophobicContact CD1-CD2 4.23Å
196G98.4Very high95.2Very high0 Ų013.5 Ų13.50%08%0.084CC..Hα-helixtrans-59-46.617100000112.7I192 W193 S194 L199 Y200I192-G196 PolarHBondContact O-N 2.91Å; W193-G196 WeakPolarHBondContact O-CA 3.35Å; W193-G196 PolarHBondContact O-N 3Å; S194-G196 VanDerWaalsContact C-N 3.33Å; S194-G196 PolarHBondContact O-N 3.07Å; G196-L199 PolarHBondContact O-N 3.1Å; G196-Y200 PolarHBondContact O-N 2.8Å
197V97.2Very high95.5Very high0 Ų011.5 Ų11.50%07%0.07CC..Hα-helixtrans-65.4-39.6176.9-179.90000111.6Y174 W193 S194 Y200 A201 L207 P208Y174-V197 HydrophobicContact CD1-CB 3.94Å; Y174-V197 HydrophobicContact CD1-CG1 3.38Å; Y174-V197 HydrophobicContact CE1-CG1 3.72Å; Y174-V197 HydrophobicContact CG-CG1 4.27Å; W193-V197 PolarHBondContact O-N 2.9Å; S194-V197 PolarHBondContact O-N 3.4Å; V197-Y200 PolarHBondContact O-N 3.08Å; V197-A201 PolarHBondContact O-N 3.3Å; V197-L207 HydrophobicContact CG1-CD2 3.79Å; V197-P208 HydrophobicContact CB-CG 4.41Å; V197-P208 HydrophobicContact CG1-CG 4.04Å; V197-P208 HydrophobicContact CG2-CG 4.12Å
198I97.7Very high95.8Very high0 Ų011.6 Ų11.60%07%0.069CC..Hα-helixtrans-65.7-44175.8-69.2162.9000111.2I118 L135 P137 I140 Y174 S194 L195 Y200 A201 L202I118-I198 HydrophobicContact CD1-CG2 4.12Å; L135-I198 HydrophobicContact CB-CD1 4.08Å; P137-I198 HydrophobicContact CG-CG1 4.22Å; I140-I198 HydrophobicContact CD1-CD1 4.19Å; Y174-I198 HydrophobicContact CD1-CG1 4.22Å; Y174-I198 HydrophobicContact CE1-CG1 4.46Å; S194-I198 VanDerWaalsContact O-CG1 3.28Å; S194-I198 WeakPolarHBondContact O-CG1 3.47Å; S194-I198 PolarHBondContact O-N 3.41Å; L195-I198 HydrophobicContact CD2-CD1 4.48Å; L195-I198 PolarHBondContact O-N 3.04Å; I198-Y200 VanDerWaalsContact C-N 3.32Å; I198-Y200 PolarHBondContact O-N 3.47Å; I198-A201 PolarHBondContact O-N 3.23Å; I198-L202 HydrophobicContact CG2-CD1 4.09Å; I198-L202 WeakPolarHBondContact O-CG 3.3Å; I198-L202 PolarHBondContact O-N 3.45Å
199L98.6Very high95.8Very high0 Ų09.5 Ų9.50%05%0.054CC..Hα-helixtrans-61.8-41.2175.2-179.360.9000111.5F115 L195 G196 A201 L202 L203 L239 L240 M243 W262F115-L199 HydrophobicContact CB-CD1 4.29Å; F115-L199 HydrophobicContact CD1-CD1 4.34Å; F115-L199 HydrophobicContact CD1-CD2 4.5Å; F115-L199 HydrophobicContact CD2-CB 4.03Å; F115-L199 HydrophobicContact CD2-CD1 4.16Å; F115-L199 HydrophobicContact CE1-CD2 4.27Å; F115-L199 HydrophobicContact CE2-CB 3.8Å; F115-L199 HydrophobicContact CG-CD1 4Å; F115-L199 HydrophobicContact CZ-CB 4.18Å; F115-L199 HydrophobicContact CZ-CD2 4.42Å; L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 PolarHBondContact O-N 3.38Å; G196-L199 PolarHBondContact O-N 3.1Å; L199-A201 VanDerWaalsContact C-N 3.34Å; L199-A201 PolarHBondContact O-N 3Å; L199-L202 PolarHBondContact O-N 3.32Å; L199-L203 HydrophobicContact CD1-CD1 3.87Å; L199-L203 HydrophobicContact CD1-CG 4.01Å; L199-L203 HydrophobicContact CG-CD1 3.9Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.36Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 2.91Å; L199-L239 HydrophobicContact CD2-CD2 3.55Å; L199-L239 HydrophobicContact CD2-CG 3.9Å; L199-L240 HydrophobicContact CB-CD2 4.19Å; L199-L240 HydrophobicContact CD2-CD2 4.07Å; L199-L240 HydrophobicContact CG-CD2 4.02Å; L199-M243 HydrophobicContact CB-CE 3.92Å; L199-M243 HydrophobicContact CD2-CE 3.44Å; L199-M243 VanDerWaalsContact CD2-CE 3.44Å; L199-M243 HydrophobicContact CG-CE 4.32Å; L199-W262 HydrophobicContact CD1-CH2 3.55Å; L199-W262 HydrophobicContact CD1-CZ2 4.39Å; L199-W262 HydrophobicContact CD1-CZ3 3.74Å; L199-W262 HydrophobicContact CD2-CZ3 4.25Å
200Y98.1Very high95.4Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-60.4-44.6174.4-169.5-79000111.4G196 V197 I198 L203 C204 R206 L207 P208 F226 A227 L240G196-Y200 PolarHBondContact O-N 2.8Å; V197-Y200 PolarHBondContact O-N 3.08Å; I198-Y200 VanDerWaalsContact C-N 3.32Å; I198-Y200 PolarHBondContact O-N 3.47Å; Y200-L203 PolarHBondContact O-N 3.07Å; Y200-C204 HydrophobicContact CD1-CB 3.88Å; Y200-C204 HydrophobicContact CE1-CB 3.56Å; Y200-C204 WeakPolarHBondContact O-CB 3.19Å; Y200-C204 PolarHBondContact O-N 3.11Å; Y200-C204 PolarHBondContact O-SG 3.13Å; Y200-R206 VanDerWaalsContact CD1-O 3.25Å; Y200-R206 WeakPolarHBondContact CD1-O 3.15Å; Y200-R206 HydrophobicContact CE1-CG 4.48Å; Y200-R206 WeakPolarHBondContact CE1-O 3.31Å; Y200-R206 VanDerWaalsContact OH-CZ 3.27Å; Y200-R206 PolarHBondContact OH-NH1 2.96Å; Y200-R206 PolarHBondContact OH-NH2 2.83Å; Y200-L207 VanDerWaalsContact CE1-C 3.41Å; Y200-L207 WeakPolarHBondContact CE1-O 3.44Å; Y200-P208 HydrophobicContact CD1-CB 3.83Å; Y200-P208 HydrophobicContact CD1-CG 4.15Å; Y200-P208 VanDerWaalsContact CD1-N 3.29Å; Y200-P208 HydrophobicContact CD2-CB 3.89Å; Y200-P208 VanDerWaalsContact CE1-CA 3.49Å; Y200-P208 HydrophobicContact CE1-CB 4.02Å; Y200-P208 HydrophobicContact CE2-CB 4.07Å; Y200-P208 HydrophobicContact CG-CB 3.75Å; Y200-P208 HydrophobicContact CG-CG 4.09Å; Y200-F226 AromaticContact CD2-CD2 3.86Å; Y200-F226 HydrophobicContact CD2-CD2 3.86Å; Y200-F226 HydrophobicContact CD2-CE2 4Å; Y200-F226 AromaticContact CE2-CD2 3.67Å; Y200-F226 HydrophobicContact CE2-CD2 3.67Å; Y200-F226 HydrophobicContact CE2-CE2 4.14Å; Y200-A227 WeakPolarHBondContact CE2-O 3.47Å; Y200-A227 PolarHBondContact OH-O 2.69Å; Y200-L240 HydrophobicContact CD2-CD1 4.17Å; Y200-L240 HydrophobicContact CD2-CD2 4.32Å
201A96.2Very high94.9Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-62-43.3177.400000112.6I100 V197 I198 L199 L203 G205 F739I100-A201 HydrophobicContact CD1-CB 4.35Å; I100-A201 WeakPolarHBondContact CG2-O 3.23Å; V197-A201 PolarHBondContact O-N 3.3Å; I198-A201 PolarHBondContact O-N 3.23Å; L199-A201 VanDerWaalsContact C-N 3.34Å; L199-A201 PolarHBondContact O-N 3Å; A201-L203 PolarHBondContact O-N 3.37Å; A201-G205 WeakPolarHBondContact O-CA 3.16Å; A201-G205 PolarHBondContact O-N 3.23Å; A201-F739 HydrophobicContact CB-CE2 3.8Å; A201-F739 HydrophobicContact CB-CZ 4.04Å
202L97.6Very high94.3Very high0 Ų016.3 Ų16.30%09%0.091CC..Hα-helixtrans-58-47.1174.1-69.7163.6000111.5L96 I100 L106 A111 I114 F115 I198 L199L96-L202 HydrophobicContact CD1-CD2 4.08Å; L96-L202 HydrophobicContact CD2-CD2 4.33Å; L96-L202 HydrophobicContact CG-CD2 4.41Å; I100-L202 HydrophobicContact CD1-CD2 3.8Å; I100-L202 HydrophobicContact CD1-CG 4.18Å; I100-L202 HydrophobicContact CG1-CD2 3.86Å; L106-L202 WeakPolarHBondContact CB-O 3.49Å; L106-L202 HydrophobicContact CD1-CD2 4.43Å; L106-L202 HydrophobicContact CD2-CD2 3.77Å; L106-L202 PolarHBondContact N-O 3.26Å; A111-L202 HydrophobicContact CB-CB 4.15Å; I114-L202 HydrophobicContact CG2-CD1 4.27Å; I114-L202 HydrophobicContact CG2-CD2 4.19Å; F115-L202 HydrophobicContact CB-CD1 4.48Å; F115-L202 HydrophobicContact CD2-CD1 4.39Å; I198-L202 HydrophobicContact CG2-CD1 4.09Å; I198-L202 WeakPolarHBondContact O-CG 3.3Å; I198-L202 PolarHBondContact O-N 3.45Å; L199-L202 PolarHBondContact O-N 3.32Å
203L97.7Very high93.4Very high7 Ų719.9 Ų19.94%0.03711%0.107CC..Hα-helixtrans-79.8-25.7-175.3-68177.8000114.6E108 A111 L199 Y200 A201 L232 L240 W262E108-L203 HydrophobicContact CB-CD2 4.48Å; E108-L203 HydrophobicContact CG-CD2 3.98Å; A111-L203 HydrophobicContact CB-CD2 3.68Å; A111-L203 HydrophobicContact CB-CG 4.42Å; L199-L203 HydrophobicContact CD1-CD1 3.87Å; L199-L203 HydrophobicContact CD1-CG 4.01Å; L199-L203 HydrophobicContact CG-CD1 3.9Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.36Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 2.91Å; Y200-L203 PolarHBondContact O-N 3.07Å; A201-L203 PolarHBondContact O-N 3.37Å; L203-L232 HydrophobicContact CB-CD1 4.26Å; L203-L232 HydrophobicContact CB-CD2 4.17Å; L203-L232 HydrophobicContact CD1-CD1 4.27Å; L203-L232 HydrophobicContact CD1-CD2 4.47Å; L203-L232 HydrophobicContact CD2-CD2 4.46Å; L203-L240 HydrophobicContact CD1-CD1 4.41Å; L203-W262 HydrophobicContact CD2-CZ2 4.24Å
204C95.9Very high92.6Very high22 Ų2220 Ų2015%0.14911%0.107CC..Hα-helixtrans-120.6-9.7-169-56.30000114.9Y200 R206Y200-C204 HydrophobicContact CD1-CB 3.88Å; Y200-C204 HydrophobicContact CE1-CB 3.56Å; Y200-C204 WeakPolarHBondContact O-CB 3.19Å; Y200-C204 PolarHBondContact O-N 3.11Å; Y200-C204 PolarHBondContact O-SG 3.13Å; C204-R206 HydrophobicContact CB-CG 4.39Å; C204-R206 PolarHBondContact O-N 3.21Å
205G92.5Very high91.9Very high20 Ų2022 Ų2221%0.20612%0.115CC..SBendtrans73.46.4179.300000116.2E104 A201 F739E104-G205 WeakPolarHBondContact O-CA 3.27Å; A201-G205 WeakPolarHBondContact O-CA 3.16Å; A201-G205 PolarHBondContact O-N 3.23Å; G205-F739 WeakPolarHBondContact O-CE1 3.43Å
206R91.1Very high91.2Very high99 Ų9925.5 Ų25.537%0.37413%0.132SC..SBendtrans-157.6171.3-175.462176.9177.468.28.5110Y200 C204Y200-R206 VanDerWaalsContact CD1-O 3.25Å; Y200-R206 WeakPolarHBondContact CD1-O 3.15Å; Y200-R206 HydrophobicContact CE1-CG 4.48Å; Y200-R206 WeakPolarHBondContact CE1-O 3.31Å; Y200-R206 VanDerWaalsContact OH-CZ 3.27Å; Y200-R206 PolarHBondContact OH-NH1 2.96Å; Y200-R206 PolarHBondContact OH-NH2 2.83Å; C204-R206 HydrophobicContact CB-CG 4.39Å; C204-R206 PolarHBondContact O-N 3.21Å
207L92.1Very high90.7Very high2 Ų225.6 Ų25.61%0.0113%0.132CC..  trans-73.1155.7176.3-68.5170.7000113.2A173 Y174 V197 Y200 F209 D210 D737 F739 M740A173-L207 HydrophobicContact CB-CD1 3.47Å; A173-L207 VanDerWaalsContact CB-CD1 3.47Å; A173-L207 HydrophobicContact CB-CD2 3.9Å; A173-L207 HydrophobicContact CB-CG 4.31Å; Y174-L207 HydrophobicContact CE1-CD2 3.96Å; V197-L207 HydrophobicContact CG1-CD2 3.79Å; Y200-L207 VanDerWaalsContact CE1-C 3.41Å; Y200-L207 WeakPolarHBondContact CE1-O 3.44Å; L207-F209 VanDerWaalsContact C-N 3.27Å; L207-D210 HydrophobicContact CB-CB 4.35Å; L207-D737 WeakPolarHBondContact CD1-OD1 3.4Å; L207-F739 HydrophobicContact CD1-CB 3.83Å; L207-F739 HydrophobicContact CD2-CB 4.42Å; L207-F739 HydrophobicContact CD2-CD2 4.17Å; L207-F739 HydrophobicContact CG-CB 3.69Å; L207-F739 HydrophobicContact CG-CD2 4.27Å; L207-F739 HydrophobicContact CG-CG 4.16Å; L207-M740 HydrophobicContact CD1-CG 3.79Å
208P94.3Very high90.1Very high11 Ų1127.5 Ų27.57%0.07115%0.145CC..SBendtrans-70.9-25166.827.6-30.8000112.1V197 Y200 F226 I244V197-P208 HydrophobicContact CB-CG 4.41Å; V197-P208 HydrophobicContact CG1-CG 4.04Å; V197-P208 HydrophobicContact CG2-CG 4.12Å; Y200-P208 HydrophobicContact CD1-CB 3.83Å; Y200-P208 HydrophobicContact CD1-CG 4.15Å; Y200-P208 VanDerWaalsContact CD1-N 3.29Å; Y200-P208 HydrophobicContact CD2-CB 3.89Å; Y200-P208 VanDerWaalsContact CE1-CA 3.49Å; Y200-P208 HydrophobicContact CE1-CB 4.02Å; Y200-P208 HydrophobicContact CE2-CB 4.07Å; Y200-P208 HydrophobicContact CG-CB 3.75Å; Y200-P208 HydrophobicContact CG-CG 4.09Å; P208-F226 HydrophobicContact CB-CB 3.72Å; P208-F226 HydrophobicContact CB-CD2 3.88Å; P208-F226 HydrophobicContact CB-CG 3.94Å; P208-F226 WeakPolarHBondContact O-CB 3.39Å; P208-I244 HydrophobicContact CB-CD1 4.3Å; P208-I244 HydrophobicContact CG-CD1 4.17Å
209F92.8Very high89.6Confident3 Ų332.9 Ų32.91%0.01317%0.17CC..  trans-126.496.3178.7-44.3-65.8000108.9W193 L207 L217 I220 I221 F226 I244W193-F209 HydrophobicContact CH2-CE2 4.1Å; W193-F209 AromaticContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CH2-CZ 3.91Å; W193-F209 HydrophobicContact CZ2-CD2 4.5Å; W193-F209 AromaticContact CZ2-CE2 3.44Å; W193-F209 HydrophobicContact CZ2-CE2 3.44Å; W193-F209 VanDerWaalsContact CZ2-CE2 3.44Å; W193-F209 AromaticContact CZ2-CZ 3.73Å; W193-F209 HydrophobicContact CZ2-CZ 3.73Å; L207-F209 VanDerWaalsContact C-N 3.27Å; F209-L217 HydrophobicContact CB-CD1 3.65Å; F209-L217 WeakPolarHBondContact O-CD1 3.44Å; F209-I220 HydrophobicContact CB-CG2 4.26Å; F209-I220 HydrophobicContact CD1-CG2 3.71Å; F209-I220 HydrophobicContact CG-CG2 4.36Å; F209-I221 HydrophobicContact CB-CG1 4.27Å; F209-I221 HydrophobicContact CD2-CG1 3.7Å; F209-I221 HydrophobicContact CE2-CG1 4.21Å; F209-I221 HydrophobicContact CG-CG1 4Å; F209-F226 HydrophobicContact CD1-CB 4.2Å; F209-F226 HydrophobicContact CE1-CB 3.8Å; F209-F226 HydrophobicContact CE1-CD1 4.25Å; F209-F226 HydrophobicContact CE1-CG 4.4Å; F209-F226 HydrophobicContact CZ-CB 4.41Å; F209-F226 HydrophobicContact CZ-CD1 4.24Å; F209-I244 HydrophobicContact CE2-CG2 3.9Å; F209-I244 HydrophobicContact CZ-CG2 3.57Å
210D85.3Confident89.2Confident60 Ų6035.3 Ų35.332%0.32118%0.183SC..  trans-128.481.7178.7-165.729.6000109.1L207 S743L207-D210 HydrophobicContact CB-CB 4.35Å; D210-S743 WeakPolarHBondContact OD2-CB 3.4Å; D210-S743 PolarHBondContact OD2-OG 3.01Å
211P82.6Confident88.9Confident10 Ų1035.3 Ų35.37%0.06518%0.183CC..  trans-71.9152.917728.5-33.4000111.8K213 E216 L217 I220 M740P211-K213 WeakPolarHBondContact CB-O 3.47Å; P211-K213 VanDerWaalsContact CG-O 3.27Å; P211-K213 WeakPolarHBondContact CG-O 3.42Å; P211-K213 PolarHBondContact O-N 2.79Å; P211-K213 VanDerWaalsContact O-N 3.1Å; P211-E216 HydrophobicContact CB-CB 4.11Å; P211-L217 HydrophobicContact CG-CB 3.89Å; P211-L217 HydrophobicContact CG-CD1 4.32Å; P211-I220 HydrophobicContact CB-CD1 3.79Å; P211-I220 HydrophobicContact CG-CD1 4.43Å; P211-M740 HydrophobicContact CG-SD 4.44Å
212T81.8Confident88.6Confident96 Ų9637.3 Ų37.359%0.58920%0.204SC*.SBendtrans-56.7-25.7168.6-43.20000112.3
213K79.8Confident88.4Confident78 Ų7844 Ų4434%0.33923%0.233SC..SBendtrans-126.7114.2177.6-71.5-177.1-174.8170.70111.7P211 E215 E216P211-K213 WeakPolarHBondContact CB-O 3.47Å; P211-K213 VanDerWaalsContact CG-O 3.27Å; P211-K213 WeakPolarHBondContact CG-O 3.42Å; P211-K213 PolarHBondContact O-N 2.79Å; P211-K213 VanDerWaalsContact O-N 3.1Å; K213-E215 HydrophobicContact CB-CG 4.15Å; K213-E215 PolarHBondContact O-N 3.2Å; K213-E216 HydrophobicContact CB-CG 4.01Å; K213-E216 WeakPolarHBondContact O-CB 3.33Å; K213-E216 PolarHBondContact O-N 3.45Å
214P80.4Confident88.1Confident2 Ų244.3 Ų44.31%0.01324%0.237CC..THydrogen-bonded Turntrans-49.7-27.1176.5-3438.5000116.5E216 L217 F645 V653 L654 M740 L744P214-E216 VanDerWaalsContact C-N 3.32Å; P214-L217 VanDerWaalsContact O-CB 3.22Å; P214-L217 WeakPolarHBondContact O-CB 3.17Å; P214-L217 PolarHBondContact O-N 3.15Å; P214-F645 HydrophobicContact CB-CB 4.03Å; P214-F645 HydrophobicContact CB-CG 4.25Å; P214-F645 HydrophobicContact CG-CB 4.15Å; P214-F645 HydrophobicContact CG-CD1 4.02Å; P214-F645 HydrophobicContact CG-CD2 4.09Å; P214-F645 HydrophobicContact CG-CE1 4.37Å; P214-F645 HydrophobicContact CG-CE2 4.46Å; P214-F645 HydrophobicContact CG-CG 3.82Å; P214-V653 HydrophobicContact CB-CG2 3.71Å; P214-L654 HydrophobicContact CB-CB 4.22Å; P214-L654 HydrophobicContact CG-CB 4.25Å; P214-L654 HydrophobicContact CG-CD2 3.77Å; P214-M740 HydrophobicContact CB-CE 3.8Å; P214-M740 HydrophobicContact CB-SD 4.41Å; P214-M740 HydrophobicContact CG-CE 4.12Å; P214-M740 HydrophobicContact CG-SD 4.38Å; P214-L744 HydrophobicContact CG-CD1 3.6Å
215E80.7Confident87.8Confident51 Ų5149.7 Ų49.724%0.23826%0.264CS..THydrogen-bonded Turntrans-69.4-23.6175.356-90.7-150.100114.1K213 L217 P218 F645K213-E215 HydrophobicContact CB-CG 4.15Å; K213-E215 PolarHBondContact O-N 3.2Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-P218 WeakPolarHBondContact O-CD 3.34Å; E215-F645 WeakPolarHBondContact OE2-CD1 3.34Å
216E85.4Confident87.9Confident74 Ų7450.1 Ų50.135%0.34626%0.26SS..THydrogen-bonded Turntrans-78.5-19175.6-62.5172.5-174.100112.2P211 K213 P214 P218 Q219 I220P211-E216 HydrophobicContact CB-CB 4.11Å; K213-E216 HydrophobicContact CB-CG 4.01Å; K213-E216 WeakPolarHBondContact O-CB 3.33Å; K213-E216 PolarHBondContact O-N 3.45Å; P214-E216 VanDerWaalsContact C-N 3.32Å; E216-P218 VanDerWaalsContact C-CD 3.46Å; E216-Q219 WeakPolarHBondContact O-CB 3.4Å; E216-Q219 PolarHBondContact O-N 3.38Å; E216-I220 PolarHBondContact O-N 2.81Å
217L86.1Confident88Confident2 Ų248.8 Ų48.81%0.0127%0.27CS..Hα-helixtrans-51.7-43.9-173.4-179.463000114.4F172 A173 F209 P211 P214 E215 Q219 I220 I221 M740F172-L217 HydrophobicContact CB-CD2 3.81Å; A173-L217 HydrophobicContact CB-CD2 4.36Å; F209-L217 HydrophobicContact CB-CD1 3.65Å; F209-L217 WeakPolarHBondContact O-CD1 3.44Å; P211-L217 HydrophobicContact CG-CB 3.89Å; P211-L217 HydrophobicContact CG-CD1 4.32Å; P214-L217 VanDerWaalsContact O-CB 3.22Å; P214-L217 WeakPolarHBondContact O-CB 3.17Å; P214-L217 PolarHBondContact O-N 3.15Å; E215-L217 VanDerWaalsContact C-N 3.33Å; L217-Q219 PolarHBondContact O-N 3.45Å; L217-I220 PolarHBondContact O-N 3.08Å; L217-I221 HydrophobicContact CD1-CD1 3.8Å; L217-I221 HydrophobicContact CD1-CG1 4.02Å; L217-I221 HydrophobicContact CD2-CD1 4.38Å; L217-I221 HydrophobicContact CG-CD1 3.75Å; L217-I221 HydrophobicContact CG-CG1 4.36Å; L217-I221 WeakPolarHBondContact O-CB 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.31Å; L217-I221 PolarHBondContact O-N 3.47Å; L217-M740 HydrophobicContact CD2-CE 3.65Å; L217-M740 HydrophobicContact CD2-SD 3.87Å
218P85Confident87.9Confident41 Ų4150.3 Ų50.327%0.26628%0.28SS..Hα-helixtrans-62.8-31.5177.8-22.135.3000113.3L180 E215 E216 G222L180-P218 HydrophobicContact CD1-CB 4.1Å; E215-P218 WeakPolarHBondContact O-CD 3.34Å; E216-P218 VanDerWaalsContact C-CD 3.46Å; P218-G222 PolarHBondContact O-N 2.93Å
219Q87.4Confident87.7Confident112 Ų11252.1 Ų52.152%0.52329%0.291SS..Hα-helixtrans-75.7-31.3-179.7-50.4179.79.200111.5E216 L217 K223E216-Q219 WeakPolarHBondContact O-CB 3.4Å; E216-Q219 PolarHBondContact O-N 3.38Å; L217-Q219 PolarHBondContact O-N 3.45Å; Q219-K223 WeakPolarHBondContact O-CG 3.36Å
220I90.4Very high87.6Confident51 Ų5159.1 Ų59.126%0.26233%0.329SS..Hα-helixtrans-75.9-47.4173.9-59.5-175.9000110.4F209 P211 E216 L217 G222 K223 G224F209-I220 HydrophobicContact CB-CG2 4.26Å; F209-I220 HydrophobicContact CD1-CG2 3.71Å; F209-I220 HydrophobicContact CG-CG2 4.36Å; P211-I220 HydrophobicContact CB-CD1 3.79Å; P211-I220 HydrophobicContact CG-CD1 4.43Å; E216-I220 PolarHBondContact O-N 2.81Å; L217-I220 PolarHBondContact O-N 3.08Å; I220-G222 VanDerWaalsContact C-N 3.26Å; I220-G222 PolarHBondContact O-N 3.24Å; I220-K223 WeakPolarHBondContact O-CB 3.46Å; I220-K223 PolarHBondContact O-N 3Å; I220-G224 PolarHBondContact O-N 3.2Å; I220-G224 VanDerWaalsContact O-N 3.1Å
221I91.6Very high88Confident0 Ų060.2 Ų60.20%035%0.354CS..Hα-helixtrans-55.4-43.6174.3-73.3172.7000110.7F172 P177 L180 W193 F209 L217 K223 G224F172-I221 VanDerWaalsContact O-CD1 3.24Å; F172-I221 WeakPolarHBondContact O-CD1 3.38Å; P177-I221 HydrophobicContact CB-CG2 4.28Å; P177-I221 HydrophobicContact CG-CG2 3.78Å; L180-I221 HydrophobicContact CD1-CB 3.87Å; L180-I221 HydrophobicContact CD1-CD1 3.99Å; L180-I221 HydrophobicContact CD1-CG2 3.48Å; L180-I221 VanDerWaalsContact CD1-CG2 3.48Å; W193-I221 HydrophobicContact CZ2-CG2 3.83Å; F209-I221 HydrophobicContact CB-CG1 4.27Å; F209-I221 HydrophobicContact CD2-CG1 3.7Å; F209-I221 HydrophobicContact CE2-CG1 4.21Å; F209-I221 HydrophobicContact CG-CG1 4Å; L217-I221 HydrophobicContact CD1-CD1 3.8Å; L217-I221 HydrophobicContact CD1-CG1 4.02Å; L217-I221 HydrophobicContact CD2-CD1 4.38Å; L217-I221 HydrophobicContact CG-CD1 3.75Å; L217-I221 HydrophobicContact CG-CG1 4.36Å; L217-I221 WeakPolarHBondContact O-CB 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.31Å; L217-I221 PolarHBondContact O-N 3.47Å; I221-K223 PolarHBondContact O-N 3.39Å; I221-G224 PolarHBondContact O-N 3.08Å
222G90.6Very high88.7Confident43 Ų4360.7 Ų60.744%0.44336%0.356SS..THydrogen-bonded Turntrans-61.3-22.5176.300000115.3P218 I220P218-G222 PolarHBondContact O-N 2.93Å; I220-G222 VanDerWaalsContact C-N 3.26Å; I220-G222 PolarHBondContact O-N 3.24Å
223K92.8Very high89.4Confident141 Ų14157.7 Ų57.761%0.61334%0.339SS*.THydrogen-bonded Turntrans-86.8-27.8172.3-66.9166.4-173.71730112.4Q219 I220 I221 L225Q219-K223 WeakPolarHBondContact O-CG 3.36Å; I220-K223 WeakPolarHBondContact O-CB 3.46Å; I220-K223 PolarHBondContact O-N 3Å; I221-K223 PolarHBondContact O-N 3.39Å; K223-L225 HydrophobicContact CB-CG 4.31Å; K223-L225 PolarHBondContact O-N 3.44Å
224G91Very high90.3Very high12 Ų1262.3 Ų62.312%0.12436%0.359CS..THydrogen-bonded Turntrans63.119.1-177.400000115.1I220 I221 F226I220-G224 PolarHBondContact O-N 3.2Å; I220-G224 VanDerWaalsContact O-N 3.1Å; I221-G224 PolarHBondContact O-N 3.08Å; G224-F226 WeakPolarHBondContact O-CD1 3.44Å
225L90.8Very high91.1Very high135 Ų13564.1 Ų64.171%0.70737%0.37SS*.  trans-91.1119.2178.1-62.5177.3000109.6K223K223-L225 HydrophobicContact CB-CG 4.31Å; K223-L225 PolarHBondContact O-N 3.44Å
226F93.9Very high91.9Very high29 Ų2961.7 Ų61.713%0.12736%0.359CS..  trans-138.8145.517863-75.2000110.3Y200 P208 F209 G224 V228 L240 I244Y200-F226 AromaticContact CD2-CD2 3.86Å; Y200-F226 HydrophobicContact CD2-CD2 3.86Å; Y200-F226 HydrophobicContact CD2-CE2 4Å; Y200-F226 AromaticContact CE2-CD2 3.67Å; Y200-F226 HydrophobicContact CE2-CD2 3.67Å; Y200-F226 HydrophobicContact CE2-CE2 4.14Å; P208-F226 HydrophobicContact CB-CB 3.72Å; P208-F226 HydrophobicContact CB-CD2 3.88Å; P208-F226 HydrophobicContact CB-CG 3.94Å; P208-F226 WeakPolarHBondContact O-CB 3.39Å; F209-F226 HydrophobicContact CD1-CB 4.2Å; F209-F226 HydrophobicContact CE1-CB 3.8Å; F209-F226 HydrophobicContact CE1-CD1 4.25Å; F209-F226 HydrophobicContact CE1-CG 4.4Å; F209-F226 HydrophobicContact CZ-CB 4.41Å; F209-F226 HydrophobicContact CZ-CD1 4.24Å; G224-F226 WeakPolarHBondContact O-CD1 3.44Å; F226-V228 HydrophobicContact CD2-CG2 3.8Å; F226-V228 HydrophobicContact CE2-CG2 3.44Å; F226-V228 VanDerWaalsContact CE2-CG2 3.44Å; F226-V228 HydrophobicContact CZ-CG2 4.23Å; F226-L240 HydrophobicContact CE2-CB 4.16Å; F226-L240 HydrophobicContact CZ-CB 4.25Å; F226-I244 HydrophobicContact CD1-CB 4.44Å; F226-I244 HydrophobicContact CD1-CG2 3.96Å; F226-I244 HydrophobicContact CD2-CD1 4.34Å; F226-I244 HydrophobicContact CE1-CB 3.68Å; F226-I244 HydrophobicContact CE1-CD1 4.2Å; F226-I244 HydrophobicContact CE1-CG1 4.48Å; F226-I244 HydrophobicContact CE1-CG2 3.68Å; F226-I244 HydrophobicContact CE2-CD1 3.88Å; F226-I244 HydrophobicContact CZ-CB 3.88Å; F226-I244 HydrophobicContact CZ-CD1 3.82Å; F226-I244 HydrophobicContact CZ-CG1 4.28Å; F226-I244 HydrophobicContact CZ-CG2 4.3Å
227A92.8Very high92.5Very high71 Ų7160.8 Ų60.859%0.58735%0.353SS*.  trans-82.8128.8178.700000110.6Y200Y200-A227 WeakPolarHBondContact CE2-O 3.47Å; Y200-A227 PolarHBondContact OH-O 2.69Å
228V91.1Very high93Very high35 Ų3565.1 Ų65.121%0.21237%0.374CS..  trans-106.6123.2176.8-1680000109.4F226 L232 K237 L240F226-V228 HydrophobicContact CD2-CG2 3.8Å; F226-V228 HydrophobicContact CE2-CG2 3.44Å; F226-V228 VanDerWaalsContact CE2-CG2 3.44Å; F226-V228 HydrophobicContact CZ-CG2 4.23Å; V228-L232 HydrophobicContact CG1-CD1 3.88Å; V228-K237 HydrophobicContact CB-CG 4.47Å; V228-K237 HydrophobicContact CG1-CG 3.7Å; V228-L240 HydrophobicContact CG1-CD1 3.9Å
229P90.4Very high93.7Very high49 Ų4963.1 Ų63.132%0.31836%0.361SS..  trans-58.8142.1-176.5-26.134.6000114G231 L232 K237P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 2.74Å; P229-L232 HydrophobicContact CB-CG 4.48Å; P229-L232 PolarHBondContact O-N 3.03Å; P229-K237 WeakPolarHBondContact O-CE 3.43Å
230D90.6Very high94.2Very high150 Ų15057.8 Ų57.880%0.80234%0.336SS*.THydrogen-bonded Turntrans-65.5-27.1-177-79.7-53.8000114.2L232 K237D230-L232 PolarHBondContact O-N 3.24Å; D230-K237 PolarHBondContact O-NZ 2.82Å
231G93.3Very high94.5Very high82 Ų8259.9 Ų59.985%0.84535%0.348SS*.THydrogen-bonded Turntrans-68-13.6175.900000115.5P229P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 2.74Å
232L96.3Very high94.9Very high21 Ų2163 Ų6311%0.1136%0.362CS..SBendtrans-76.3146.3177.3-64.5-176.7000112.2E108 L203 V228 P229 D230 K237 L240E108-L232 HydrophobicContact CG-CD2 4.49Å; L203-L232 HydrophobicContact CB-CD1 4.26Å; L203-L232 HydrophobicContact CB-CD2 4.17Å; L203-L232 HydrophobicContact CD1-CD1 4.27Å; L203-L232 HydrophobicContact CD1-CD2 4.47Å; L203-L232 HydrophobicContact CD2-CD2 4.46Å; V228-L232 HydrophobicContact CG1-CD1 3.88Å; P229-L232 HydrophobicContact CB-CG 4.48Å; P229-L232 PolarHBondContact O-N 3.03Å; D230-L232 PolarHBondContact O-N 3.24Å; L232-K237 HydrophobicContact CB-CG 4.33Å; L232-K237 WeakPolarHBondContact O-CD 3.43Å; L232-K237 WeakPolarHBondContact O-CE 3.4Å; L232-K237 PolarHBondContact O-NZ 2.96Å; L232-L240 HydrophobicContact CD1-CD1 4.11Å
233S97.4Very high95.2Very high33 Ų3361 Ų6123%0.23134%0.341CS..  trans-61.6156.5-179.969.60000112.3E108 T235 S236 K237E108-S233 VanDerWaalsContact CD-OG 3.29Å; E108-S233 WeakPolarHBondContact OE1-CB 3.3Å; E108-S233 PolarHBondContact OE1-N 2.86Å; E108-S233 PolarHBondContact OE1-OG 2.95Å; E108-S233 VanDerWaalsContact OE1-OG 3.08Å; E108-S233 VanDerWaalsContact OE2-CB 3.3Å; E108-S233 WeakPolarHBondContact OE2-CB 3.37Å; E108-S233 PolarHBondContact OE2-OG 3.17Å; S233-T235 PolarHBondContact O-N 3.23Å; S233-T235 PolarHBondContact OG-OG1 2.89Å; S233-T235 VanDerWaalsContact OG-OG1 3.13Å; S233-S236 WeakPolarHBondContact O-CB 3.27Å; S233-S236 PolarHBondContact O-N 2.94Å; S233-S236 WeakPolarHBondContact OG-CB 3.13Å; S233-S236 PolarHBondContact OG-N 2.95Å; S233-S236 PolarHBondContact OG-OG 2.89Å; S233-S236 VanDerWaalsContact OG-OG 3.13Å; S233-K237 WeakPolarHBondContact O-CG 3.33Å; S233-K237 PolarHBondContact O-N 2.71Å
234K97.4Very high95.5Very high175 Ų17554.6 Ų54.676%0.76131%0.314SS*.Hα-helixtrans-59.3-34.5175.5-174.1177.6177.6-178.40111.4Q238K234-Q238 WeakPolarHBondContact O-CB 3.27Å; K234-Q238 PolarHBondContact O-N 2.96Å
235T97.6Very high95.7Very high40 Ų4055.5 Ų55.525%0.24532%0.318CS..Hα-helixtrans-73-38.3177.841.80000112.1S233 L239 H260 A261S233-T235 PolarHBondContact O-N 3.23Å; S233-T235 PolarHBondContact OG-OG1 2.89Å; S233-T235 VanDerWaalsContact OG-OG1 3.13Å; T235-L239 WeakPolarHBondContact O-CB 3.46Å; T235-L239 PolarHBondContact O-N 2.6Å; T235-H260 PolarHBondContact O-CE1 3.41Å; T235-A261 HydrophobicContact CG2-CB 4.23Å
236S97.8Very high96Very high0 Ų051.7 Ų51.70%030%0.3CS..Hα-helixtrans-58.9-52.4166.6-77.90000112.2E108 S233 Q238 L239 L240 W262E108-S236 WeakPolarHBondContact OE1-CB 3.48Å; E108-S236 PolarHBondContact OE1-OG 3.15Å; E108-S236 PolarHBondContact OE2-OG 3.39Å; E108-S236 VanDerWaalsContact OE2-OG 3.06Å; S233-S236 WeakPolarHBondContact O-CB 3.27Å; S233-S236 PolarHBondContact O-N 2.94Å; S233-S236 WeakPolarHBondContact OG-CB 3.13Å; S233-S236 PolarHBondContact OG-N 2.95Å; S233-S236 PolarHBondContact OG-OG 2.89Å; S233-S236 VanDerWaalsContact OG-OG 3.13Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 2.85Å; S236-L239 PolarHBondContact O-N 2.87Å; S236-L239 VanDerWaalsContact O-N 3.15Å; S236-L240 WeakPolarHBondContact O-CG 3.26Å; S236-L240 PolarHBondContact O-N 3.38Å; S236-W262 PolarHBondContact OG-NE1 3.17Å
237K98Very high96Very high54 Ų5452.9 Ų52.924%0.23531%0.308CS..Hα-helixtrans-58.5-41.3-179.5-74.9165.9176.9161.30111.5V228 P229 D230 L232 S233 N241V228-K237 HydrophobicContact CB-CG 4.47Å; V228-K237 HydrophobicContact CG1-CG 3.7Å; P229-K237 WeakPolarHBondContact O-CE 3.43Å; D230-K237 PolarHBondContact O-NZ 2.82Å; L232-K237 HydrophobicContact CB-CG 4.33Å; L232-K237 WeakPolarHBondContact O-CD 3.43Å; L232-K237 WeakPolarHBondContact O-CE 3.4Å; L232-K237 PolarHBondContact O-NZ 2.96Å; S233-K237 WeakPolarHBondContact O-CG 3.33Å; S233-K237 PolarHBondContact O-N 2.71Å; K237-N241 PolarHBondContact O-N 3.21Å; K237-N241 PolarHBondContact O-ND2 2.89Å
238Q97.6Very high96.1Very high93 Ų9351.8 Ų51.844%0.43530%0.295SS..Hα-helixtrans-63.5-48.9174.3179172.6-20.600111.9K234 S236 L240 N241 Q242K234-Q238 WeakPolarHBondContact O-CB 3.27Å; K234-Q238 PolarHBondContact O-N 2.96Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 2.85Å; Q238-L240 PolarHBondContact O-N 3.48Å; Q238-N241 PolarHBondContact O-N 3.3Å; Q238-Q242 HydrophobicContact CG-CG 4.5Å; Q238-Q242 WeakPolarHBondContact O-CB 3.3Å; Q238-Q242 WeakPolarHBondContact O-CG 3.32Å; Q238-Q242 PolarHBondContact O-N 3.21Å
239L98.5Very high96.2Very high0 Ų059.2 Ų59.20%032%0.324CS..Hα-helixtrans-61.6-44.5-177.9179.354000112.7L199 T235 S236 N241 Q242 M243 L257 H260 W262 V263L199-L239 HydrophobicContact CD2-CD2 3.55Å; L199-L239 HydrophobicContact CD2-CG 3.9Å; T235-L239 WeakPolarHBondContact O-CB 3.46Å; T235-L239 PolarHBondContact O-N 2.6Å; S236-L239 PolarHBondContact O-N 2.87Å; S236-L239 VanDerWaalsContact O-N 3.15Å; L239-N241 PolarHBondContact O-N 2.74Å; L239-Q242 PolarHBondContact O-N 3.16Å; L239-Q242 VanDerWaalsContact O-N 3.14Å; L239-M243 HydrophobicContact CD1-CE 4Å; L239-M243 HydrophobicContact CD1-CG 4.1Å; L239-M243 HydrophobicContact CD1-SD 4.36Å; L239-M243 HydrophobicContact CD2-CE 4.29Å; L239-M243 HydrophobicContact CG-CE 3.82Å; L239-M243 PolarHBondContact O-N 3.12Å; L239-L257 HydrophobicContact CD1-CD1 3.56Å; L239-H260 HydrophobicContact CD1-CB 4.39Å; L239-W262 HydrophobicContact CD2-CB 4.09Å; L239-W262 HydrophobicContact CD2-CD2 4.07Å; L239-W262 HydrophobicContact CD2-CE3 3.51Å; L239-W262 HydrophobicContact CD2-CG 4.33Å; L239-W262 HydrophobicContact CD2-CZ3 4.29Å; L239-V263 HydrophobicContact CD2-CG2 3.82Å
240L98.4Very high96.6Very high0 Ų064.4 Ų64.40%034%0.342CS..Hα-helixtrans-59.6-45.6178-72.5169.6000111.6L199 Y200 L203 F226 V228 L232 S236 Q238 Q242 M243 I244L199-L240 HydrophobicContact CB-CD2 4.19Å; L199-L240 HydrophobicContact CD2-CD2 4.07Å; L199-L240 HydrophobicContact CG-CD2 4.02Å; Y200-L240 HydrophobicContact CD2-CD1 4.17Å; Y200-L240 HydrophobicContact CD2-CD2 4.32Å; L203-L240 HydrophobicContact CD1-CD1 4.41Å; F226-L240 HydrophobicContact CE2-CB 4.16Å; F226-L240 HydrophobicContact CZ-CB 4.25Å; V228-L240 HydrophobicContact CG1-CD1 3.9Å; L232-L240 HydrophobicContact CD1-CD1 4.11Å; S236-L240 WeakPolarHBondContact O-CG 3.26Å; S236-L240 PolarHBondContact O-N 3.38Å; Q238-L240 PolarHBondContact O-N 3.48Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 2.91Å; L240-M243 PolarHBondContact O-N 3.49Å; L240-I244 WeakPolarHBondContact O-CB 3.21Å; L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.44Å
241N97.4Very high96.9Very high94 Ų9457.7 Ų57.750%0.50331%0.305SS..Hα-helixtrans-66.8-27.7176.4-76.5-65.1000113.3K237 Q238 L239K237-N241 PolarHBondContact O-N 3.21Å; K237-N241 PolarHBondContact O-ND2 2.89Å; Q238-N241 PolarHBondContact O-N 3.3Å; L239-N241 PolarHBondContact O-N 2.74Å
242Q98.2Very high97.2Very high67 Ų6754.4 Ų54.431%0.31327%0.268SS..Hα-helixtrans-77.9-32.4177-77.6-176.6-19.400113.2Q238 L239 L240 I252 H260Q238-Q242 HydrophobicContact CG-CG 4.5Å; Q238-Q242 WeakPolarHBondContact O-CB 3.3Å; Q238-Q242 WeakPolarHBondContact O-CG 3.32Å; Q238-Q242 PolarHBondContact O-N 3.21Å; L239-Q242 PolarHBondContact O-N 3.16Å; L239-Q242 VanDerWaalsContact O-N 3.14Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 2.91Å; Q242-I252 HydrophobicContact CB-CB 4.12Å; Q242-I252 HydrophobicContact CB-CD1 4.46Å; Q242-I252 HydrophobicContact CB-CG2 4.25Å; Q242-I252 WeakPolarHBondContact O-CG2 3.38Å; Q242-I252 PolarHBondContact O-N 2.92Å; Q242-H260 PolarHBondContact OE1-CD2 3.38Å; Q242-H260 VanDerWaalsContact OE1-CD2 3.31Å; Q242-H260 PolarHBondContact OE1-NE2 3.15Å
243M98.5Very high97.2Very high0 Ų059.8 Ų59.80%029%0.291CS..Hα-helixtrans-85.1-45.2175.5-69.2-161.5-74.900113.2F115 I192 L195 L199 L239 L240 C245 R251 I252 L257F115-M243 HydrophobicContact CE1-CE 3.94Å; F115-M243 HydrophobicContact CE1-SD 4.36Å; F115-M243 HydrophobicContact CE2-CE 4.31Å; F115-M243 HydrophobicContact CZ-CE 3.46Å; F115-M243 VanDerWaalsContact CZ-CE 3.46Å; F115-M243 HydrophobicContact CZ-SD 3.74Å; I192-M243 HydrophobicContact CG2-CB 4.17Å; I192-M243 HydrophobicContact CG2-CG 3.94Å; I192-M243 HydrophobicContact CG2-SD 4.46Å; L195-M243 HydrophobicContact CB-SD 4.12Å; L199-M243 HydrophobicContact CB-CE 3.92Å; L199-M243 HydrophobicContact CD2-CE 3.44Å; L199-M243 VanDerWaalsContact CD2-CE 3.44Å; L199-M243 HydrophobicContact CG-CE 4.32Å; L239-M243 HydrophobicContact CD1-CE 4Å; L239-M243 HydrophobicContact CD1-CG 4.1Å; L239-M243 HydrophobicContact CD1-SD 4.36Å; L239-M243 HydrophobicContact CD2-CE 4.29Å; L239-M243 HydrophobicContact CG-CE 3.82Å; L239-M243 PolarHBondContact O-N 3.12Å; L240-M243 PolarHBondContact O-N 3.49Å; M243-C245 PolarHBondContact O-N 2.95Å; M243-R251 VanDerWaalsContact O-CD 3.29Å; M243-R251 WeakPolarHBondContact O-CD 3.36Å; M243-R251 VanDerWaalsContact O-CG 3.27Å; M243-R251 WeakPolarHBondContact O-CG 3.34Å; M243-I252 HydrophobicContact CB-CG2 4.42Å; M243-I252 HydrophobicContact CG-CG2 3.6Å; M243-L257 HydrophobicContact CG-CD1 4.36Å; M243-L257 HydrophobicContact SD-CD1 3.8Å; M243-L257 HydrophobicContact SD-CD2 3.98Å
244I97.6Very high97.2Very high6 Ų659.3 Ų59.33%0.03129%0.285CS..SBendtrans-84.849.9179.1-47.4-180000109.5W193 P208 F209 F226 L240W193-I244 HydrophobicContact CD2-CG2 4.36Å; W193-I244 HydrophobicContact CE3-CG2 4.07Å; W193-I244 HydrophobicContact CH2-CG2 3.55Å; W193-I244 HydrophobicContact CZ2-CG2 3.84Å; W193-I244 VanDerWaalsContact CZ3-C 3.48Å; W193-I244 HydrophobicContact CZ3-CB 4.42Å; W193-I244 HydrophobicContact CZ3-CG2 3.67Å; P208-I244 HydrophobicContact CB-CD1 4.3Å; P208-I244 HydrophobicContact CG-CD1 4.17Å; F209-I244 HydrophobicContact CE2-CG2 3.9Å; F209-I244 HydrophobicContact CZ-CG2 3.57Å; F226-I244 HydrophobicContact CD1-CB 4.44Å; F226-I244 HydrophobicContact CD1-CG2 3.96Å; F226-I244 HydrophobicContact CD2-CD1 4.34Å; F226-I244 HydrophobicContact CE1-CB 3.68Å; F226-I244 HydrophobicContact CE1-CD1 4.2Å; F226-I244 HydrophobicContact CE1-CG1 4.48Å; F226-I244 HydrophobicContact CE1-CG2 3.68Å; F226-I244 HydrophobicContact CE2-CD1 3.88Å; F226-I244 HydrophobicContact CZ-CB 3.88Å; F226-I244 HydrophobicContact CZ-CD1 3.82Å; F226-I244 HydrophobicContact CZ-CG1 4.28Å; F226-I244 HydrophobicContact CZ-CG2 4.3Å; L240-I244 WeakPolarHBondContact O-CB 3.21Å; L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.44Å
245C96.8Very high97.2Very high31 Ų3154.9 Ų54.921%0.20927%0.27CS..  trans-97.3124179-169.30000110.4M243 D247 R251M243-C245 PolarHBondContact O-N 2.95Å; C245-D247 VanDerWaalsContact C-N 3.3Å; C245-D247 PolarHBondContact O-N 3.4Å; C245-R251 HydrophobicContact CB-CB 4.01Å; C245-R251 HydrophobicContact CB-CG 4.14Å; C245-R251 VanDerWaalsContact O-CZ 3.28Å; C245-R251 PolarHBondContact O-NE 2.85Å; C245-R251 PolarHBondContact O-NH2 3.43Å
246V96.1Very high97.2Very high56 Ų5657 Ų5734%0.33928%0.277SS..SBendtrans-64.5-34-175.8179.90000112.3P177 W193 P248P177-V246 HydrophobicContact CB-CG1 4.23Å; P177-V246 HydrophobicContact CG-CG1 4.2Å; P177-V246 HydrophobicContact CG-CG2 4.5Å; W193-V246 HydrophobicContact CH2-CG2 4.42Å; W193-V246 HydrophobicContact CZ3-CG2 4.3Å; V246-P248 VanDerWaalsContact O-CD 3.23Å; V246-P248 WeakPolarHBondContact O-CD 3.32Å
247D94.8Very high97.2Very high53 Ų5357 Ų5728%0.28328%0.277SS..SBendtrans-84.3107.4176.7-177.7-12.9000110.2C245 K249 K250 R251C245-D247 VanDerWaalsContact C-N 3.3Å; C245-D247 PolarHBondContact O-N 3.4Å; D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 WeakPolarHBondContact OD1-CB 3.32Å; D247-K249 PolarHBondContact OD1-N 2.92Å; D247-K250 HydrophobicContact CB-CB 4.19Å; D247-K250 HydrophobicContact CB-CD 4.18Å; D247-K250 HydrophobicContact CB-CG 4.22Å; D247-K250 PolarHBondContact O-N 3.07Å; D247-K250 WeakPolarHBondContact OD2-CD 3.49Å; D247-K250 VanDerWaalsContact OD2-CE 3.31Å; D247-K250 WeakPolarHBondContact OD2-CE 3.11Å; D247-K250 WeakPolarHBondContact OD2-CG 3.2Å; D247-K250 IonicContact OD2-NZ 3.62Å; D247-K250 PolarHBondContact OD2-NZ 3.23Å; D247-R251 PolarHBondContact O-N 2.7Å
248P94Very high97.2Very high49 Ų4957.7 Ų57.732%0.31828%0.278SS..THydrogen-bonded Turntrans-67.3-8.3-177.229.5-36.6000113.5E178 A189 V246E178-P248 HydrophobicContact CG-CG 4.38Å; A189-P248 HydrophobicContact CB-CB 4.17Å; V246-P248 VanDerWaalsContact O-CD 3.23Å; V246-P248 WeakPolarHBondContact O-CD 3.32Å
249K94.5Very high97.3Very high190 Ų19059 Ų5983%0.82628%0.279SS*.THydrogen-bonded Turntrans-86.3-19.5172.1-57.1-177.4179.8-179.40112.9D247D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 WeakPolarHBondContact OD1-CB 3.32Å; D247-K249 PolarHBondContact OD1-N 2.92Å
250K97Very high97.3Very high159 Ų15959.8 Ų59.869%0.69128%0.283SS*.THydrogen-bonded Turntrans-103.6-18.5177.4-63.8-179.1-175.7116.40113.2D247D247-K250 HydrophobicContact CB-CB 4.19Å; D247-K250 HydrophobicContact CB-CD 4.18Å; D247-K250 HydrophobicContact CB-CG 4.22Å; D247-K250 PolarHBondContact O-N 3.07Å; D247-K250 WeakPolarHBondContact OD2-CD 3.49Å; D247-K250 VanDerWaalsContact OD2-CE 3.31Å; D247-K250 WeakPolarHBondContact OD2-CE 3.11Å; D247-K250 WeakPolarHBondContact OD2-CG 3.2Å; D247-K250 IonicContact OD2-NZ 3.62Å; D247-K250 PolarHBondContact OD2-NZ 3.23Å
251R97.9Very high97.2Very high8 Ų862.5 Ų62.53%0.0331%0.305CS..SBendtrans-55.8137.8171.6-161.5177.8-58.71506.1110.4E178 A189 I192 M243 C245 D247E178-R251 IonicContact OE1-CZ 2.71Å; E178-R251 IonicContact OE1-NH1 3.79Å; E178-R251 PolarHBondContact OE1-NH1 2.94Å; E178-R251 IonicContact OE1-NH2 2.79Å; E178-R251 PolarHBondContact OE1-NH2 3.44Å; E178-R251 IonicContact OE2-CZ 3.26Å; E178-R251 IonicContact OE2-NH1 3.48Å; E178-R251 IonicContact OE2-NH2 2.85Å; E178-R251 PolarHBondContact OE2-NH2 3.37Å; A189-R251 VanDerWaalsContact C-NH1 3.31Å; A189-R251 WeakPolarHBondContact O-CD 3.14Å; A189-R251 PolarHBondContact O-NH1 3.49Å; I192-R251 HydrophobicContact CG2-CG 3.94Å; M243-R251 VanDerWaalsContact O-CD 3.29Å; M243-R251 WeakPolarHBondContact O-CD 3.36Å; M243-R251 VanDerWaalsContact O-CG 3.27Å; M243-R251 WeakPolarHBondContact O-CG 3.34Å; C245-R251 HydrophobicContact CB-CB 4.01Å; C245-R251 HydrophobicContact CB-CG 4.14Å; C245-R251 VanDerWaalsContact O-CZ 3.28Å; C245-R251 PolarHBondContact O-NE 2.85Å; C245-R251 PolarHBondContact O-NH2 3.43Å; D247-R251 PolarHBondContact O-N 2.7Å
252I98.6Very high97.3Very high14 Ų1458 Ų587%0.07228%0.281CS..PPolyproline II helixtrans-57140.5-178.8-168.8172000111.8I192 Q242 M243 E256 L257I192-I252 HydrophobicContact CG2-CG2 3.84Å; I192-I252 WeakPolarHBondContact CG2-O 3.23Å; Q242-I252 HydrophobicContact CB-CB 4.12Å; Q242-I252 HydrophobicContact CB-CD1 4.46Å; Q242-I252 HydrophobicContact CB-CG2 4.25Å; Q242-I252 WeakPolarHBondContact O-CG2 3.38Å; Q242-I252 PolarHBondContact O-N 2.92Å; M243-I252 HydrophobicContact CB-CG2 4.42Å; M243-I252 HydrophobicContact CG-CG2 3.6Å; I252-E256 HydrophobicContact CD1-CB 4Å; I252-E256 HydrophobicContact CG1-CB 3.53Å; I252-L257 HydrophobicContact CD1-CB 4.22Å; I252-L257 HydrophobicContact CG1-CB 4.41Å
253K97.6Very high97.3Very high133 Ų13354.9 Ų54.958%0.57827%0.266SS*.PPolyproline II helixtrans-87.9155.8177.2-63.3166.9-171.6160.20110.5D255 E256 L257K253-D255 PolarHBondContact O-N 2.97Å; K253-D255 VanDerWaalsContact O-N 3.13Å; K253-E256 WeakPolarHBondContact CB-OE2 3.45Å; K253-E256 PolarHBondContact N-OE2 3.01Å; K253-E256 WeakPolarHBondContact O-CB 3.4Å; K253-E256 PolarHBondContact O-N 3.29Å; K253-L257 WeakPolarHBondContact O-CB 3.4Å; K253-L257 PolarHBondContact O-N 2.9Å
254M97.6Very high97.3Very high24 Ų2455.8 Ų55.812%0.11827%0.272CS..Hα-helixtrans-52.5-38.8179-173.260.27300113.2V119 I122 H126 I192 L195 E256 L257 R258V119-M254 HydrophobicContact CG1-SD 3.96Å; I122-M254 HydrophobicContact CB-CE 4.02Å; I122-M254 HydrophobicContact CG2-CE 3.76Å; H126-M254 WeakPolarHBondContact ND1-CE 3.39Å; I192-M254 HydrophobicContact CD1-CB 4.44Å; I192-M254 HydrophobicContact CD1-CE 3.76Å; I192-M254 HydrophobicContact CD1-SD 4.34Å; L195-M254 HydrophobicContact CD1-CE 4.28Å; M254-E256 VanDerWaalsContact C-N 3.34Å; M254-E256 PolarHBondContact O-N 3.44Å; M254-L257 PolarHBondContact O-N 3.27Å; M254-L257 HydrophobicContact SD-CD2 4.25Å; M254-R258 WeakPolarHBondContact O-CG 3.49Å; M254-R258 PolarHBondContact O-N 3.42Å
255D96.4Very high97.2Very high81 Ų8159.6 Ų59.643%0.43329%0.289SS..Hα-helixtrans-64.8-34.8177.3-119-47.5000113.6K253 R258 R259K253-D255 PolarHBondContact O-N 2.97Å; K253-D255 VanDerWaalsContact O-N 3.13Å; D255-R258 WeakPolarHBondContact O-CG 3.38Å; D255-R258 IonicContact OD1-CZ 3.96Å; D255-R258 VanDerWaalsContact OD1-CZ 3.26Å; D255-R258 IonicContact OD1-NE 3.61Å; D255-R258 PolarHBondContact OD1-NE 2.84Å; D255-R258 IonicContact OD1-NH2 2.71Å; D255-R258 PolarHBondContact OD1-NH2 3.27Å; D255-R259 PolarHBondContact O-NE 3.03Å; D255-R259 PolarHBondContact O-NH1 2.9Å; D255-R259 VanDerWaalsContact O-NH1 3.1Å; D255-R259 PolarHBondContact O-NH2 2.98Å; D255-R259 VanDerWaalsContact O-NH2 3.12Å; D255-R259 IonicContact OD1-CZ 2.73Å; D255-R259 IonicContact OD1-NH1 3.82Å; D255-R259 PolarHBondContact OD1-NH1 3.44Å; D255-R259 IonicContact OD1-NH2 3.94Å
256E98.2Very high97.1Very high85 Ų8562 Ų6240%0.39732%0.319SS..Hα-helixtrans-78.6-41176.2-65155.217400109.8I252 K253 M254 R259 H260I252-E256 HydrophobicContact CD1-CB 4Å; I252-E256 HydrophobicContact CG1-CB 3.53Å; K253-E256 WeakPolarHBondContact CB-OE2 3.45Å; K253-E256 PolarHBondContact N-OE2 3.01Å; K253-E256 WeakPolarHBondContact O-CB 3.4Å; K253-E256 PolarHBondContact O-N 3.29Å; M254-E256 VanDerWaalsContact C-N 3.34Å; M254-E256 PolarHBondContact O-N 3.44Å; E256-R259 CarbonylContact O-C 3.49Å; E256-R259 PolarHBondContact O-N 3.3Å; E256-R259 VanDerWaalsContact O-N 3.12Å; E256-H260 PolarHBondContact O-N 3.31Å
257L98.6Very high97Very high0 Ų062.8 Ų62.80%032%0.318CS..Hα-helixtrans-58.7-48.9177.9179.158.4000112.2F115 V119 I192 L195 L239 M243 I252 K253 M254 R259 H260 V263F115-L257 HydrophobicContact CE1-CD1 4.23Å; V119-L257 HydrophobicContact CG1-CD2 4.42Å; V119-L257 HydrophobicContact CG1-CG 4.28Å; V119-L257 HydrophobicContact CG2-CD2 3.92Å; V119-L257 HydrophobicContact CG2-CG 4.15Å; I192-L257 HydrophobicContact CD1-CD2 3.59Å; L195-L257 HydrophobicContact CD1-CD2 4.23Å; L239-L257 HydrophobicContact CD1-CD1 3.56Å; M243-L257 HydrophobicContact CG-CD1 4.36Å; M243-L257 HydrophobicContact SD-CD1 3.8Å; M243-L257 HydrophobicContact SD-CD2 3.98Å; I252-L257 HydrophobicContact CD1-CB 4.22Å; I252-L257 HydrophobicContact CG1-CB 4.41Å; K253-L257 WeakPolarHBondContact O-CB 3.4Å; K253-L257 PolarHBondContact O-N 2.9Å; M254-L257 PolarHBondContact O-N 3.27Å; M254-L257 HydrophobicContact SD-CD2 4.25Å; L257-R259 PolarHBondContact O-N 3.11Å; L257-R259 VanDerWaalsContact O-N 3.09Å; L257-H260 WeakPolarHBondContact O-CB 3.4Å; L257-H260 PolarHBondContact O-N 3.36Å; L257-H260 VanDerWaalsContact O-N 3.08Å; L257-V263 HydrophobicContact CD1-CG2 4.27Å
258R97.8Very high96.9Very high69 Ų6968.6 Ų68.626%0.2635%0.346SS..THydrogen-bonded Turntrans-62.7-16177.871.9-178.2-174.4113.6-6.3113.8V119 M254 D255 P271 V272V119-R258 HydrophobicContact CG1-CB 4.34Å; M254-R258 WeakPolarHBondContact O-CG 3.49Å; M254-R258 PolarHBondContact O-N 3.42Å; D255-R258 WeakPolarHBondContact O-CG 3.38Å; D255-R258 IonicContact OD1-CZ 3.96Å; D255-R258 VanDerWaalsContact OD1-CZ 3.26Å; D255-R258 IonicContact OD1-NE 3.61Å; D255-R258 PolarHBondContact OD1-NE 2.84Å; D255-R258 IonicContact OD1-NH2 2.71Å; D255-R258 PolarHBondContact OD1-NH2 3.27Å; R258-P271 CarbonylContact O-C 3.43Å; R258-P271 WeakPolarHBondContact O-CA 3.32Å; R258-P271 WeakPolarHBondContact O-CB 3.49Å; R258-V272 HydrophobicContact CB-CB 3.9Å; R258-V272 PolarHBondContact O-N 3.36Å
259R98Very high96.7Very high120 Ų12068.5 Ų68.545%0.45335%0.354SS..THydrogen-bonded Turntrans-109.7-0.5177.1-64-167.6-70.9-85.3-2.2113.6D255 E256 L257 P271D255-R259 PolarHBondContact O-NE 3.03Å; D255-R259 PolarHBondContact O-NH1 2.9Å; D255-R259 VanDerWaalsContact O-NH1 3.1Å; D255-R259 PolarHBondContact O-NH2 2.98Å; D255-R259 VanDerWaalsContact O-NH2 3.12Å; D255-R259 IonicContact OD1-CZ 2.73Å; D255-R259 IonicContact OD1-NH1 3.82Å; D255-R259 PolarHBondContact OD1-NH1 3.44Å; D255-R259 IonicContact OD1-NH2 3.94Å; E256-R259 CarbonylContact O-C 3.49Å; E256-R259 PolarHBondContact O-N 3.3Å; E256-R259 VanDerWaalsContact O-N 3.12Å; L257-R259 PolarHBondContact O-N 3.11Å; L257-R259 VanDerWaalsContact O-N 3.09Å; R259-P271 HydrophobicContact CG-CB 4.11Å; R259-P271 HydrophobicContact CG-CG 4Å
260H98.6Very high96.7Very high17 Ų1765 Ų658%0.07934%0.34CS..  trans-63.5141.1-173.7-177.6-93.7000110.8T235 L239 Q242 E256 L257 W262 V263 V264T235-H260 PolarHBondContact O-CE1 3.41Å; L239-H260 HydrophobicContact CD1-CB 4.39Å; Q242-H260 PolarHBondContact OE1-CD2 3.38Å; Q242-H260 VanDerWaalsContact OE1-CD2 3.31Å; Q242-H260 PolarHBondContact OE1-NE2 3.15Å; E256-H260 PolarHBondContact O-N 3.31Å; L257-H260 WeakPolarHBondContact O-CB 3.4Å; L257-H260 PolarHBondContact O-N 3.36Å; L257-H260 VanDerWaalsContact O-N 3.08Å; H260-W262 VanDerWaalsContact C-N 3.29Å; H260-W262 PolarHBondContact ND1-N 3.16Å; H260-W262 PolarHBondContact O-N 3.22Å; H260-W262 VanDerWaalsContact O-N 3.16Å; H260-V263 HydrophobicContact CB-CB 4.46Å; H260-V263 HydrophobicContact CB-CG2 4.1Å; H260-V263 WeakPolarHBondContact O-CA 3.48Å; H260-V263 WeakPolarHBondContact O-CB 3.48Å; H260-V263 PolarHBondContact O-N 3.38Å; H260-V264 PolarHBondContact O-N 2.95Å
261A98Very high96.6Very high56 Ų5659.9 Ų59.946%0.46332%0.323SS..Hα-helixtrans-50.8-46.3-172.900000113T235 V263 V264 E265T235-A261 HydrophobicContact CG2-CB 4.23Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.42Å; A261-V264 PolarHBondContact O-N 2.8Å; A261-E265 WeakPolarHBondContact O-CB 3.2Å; A261-E265 PolarHBondContact O-N 2.81Å; A261-E265 VanDerWaalsContact O-N 3.11Å
262W98.4Very high96.6Very high1 Ų159.7 Ų59.70%0.00432%0.323CS..Hα-helixtrans-61-34.6175.5-168.880.5000113.5E108 A111 R112 F115 L199 L203 S236 L239 H260E108-W262 HydrophobicContact CB-CZ2 4.15Å; E108-W262 WeakPolarHBondContact O-CZ2 3.35Å; E108-W262 PolarHBondContact OE2-NE1 3.35Å; A111-W262 HydrophobicContact CB-CH2 4.36Å; R112-W262 HydrophobicContact CB-CH2 3.62Å; R112-W262 HydrophobicContact CB-CZ2 3.94Å; R112-W262 HydrophobicContact CB-CZ3 3.99Å; R112-W262 WeakPolarHBondContact CD-O 3.33Å; R112-W262 HydrophobicContact CG-CE3 4.37Å; R112-W262 HydrophobicContact CG-CH2 4.23Å; R112-W262 HydrophobicContact CG-CZ3 4.11Å; R112-W262 PolarHBondContact NE-O 2.96Å; F115-W262 HydrophobicContact CB-CZ3 4.36Å; F115-W262 HydrophobicContact CD1-CZ3 4.04Å; F115-W262 HydrophobicContact CG-CZ3 4.49Å; L199-W262 HydrophobicContact CD1-CH2 3.55Å; L199-W262 HydrophobicContact CD1-CZ2 4.39Å; L199-W262 HydrophobicContact CD1-CZ3 3.74Å; L199-W262 HydrophobicContact CD2-CZ3 4.25Å; L203-W262 HydrophobicContact CD2-CZ2 4.24Å; S236-W262 PolarHBondContact OG-NE1 3.17Å; L239-W262 HydrophobicContact CD2-CB 4.09Å; L239-W262 HydrophobicContact CD2-CD2 4.07Å; L239-W262 HydrophobicContact CD2-CE3 3.51Å; L239-W262 HydrophobicContact CD2-CG 4.33Å; L239-W262 HydrophobicContact CD2-CZ3 4.29Å; H260-W262 VanDerWaalsContact C-N 3.29Å; H260-W262 PolarHBondContact ND1-N 3.16Å; H260-W262 PolarHBondContact O-N 3.22Å; H260-W262 VanDerWaalsContact O-N 3.16Å
263V98.4Very high96.4Very high0 Ų064.2 Ų64.20%035%0.347CS..Hα-helixtrans-77.7-26.3-175.1179.50000111.5R116 L239 L257 H260 A261 V272R116-V263 VanDerWaalsContact CD-O 3.27Å; R116-V263 WeakPolarHBondContact CD-O 3.45Å; R116-V263 HydrophobicContact CG-CG1 3.89Å; R116-V263 PolarHBondContact NH1-O 3.28Å; L239-V263 HydrophobicContact CD2-CG2 3.82Å; L257-V263 HydrophobicContact CD1-CG2 4.27Å; H260-V263 HydrophobicContact CB-CB 4.46Å; H260-V263 HydrophobicContact CB-CG2 4.1Å; H260-V263 WeakPolarHBondContact O-CA 3.48Å; H260-V263 WeakPolarHBondContact O-CB 3.48Å; H260-V263 PolarHBondContact O-N 3.38Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.42Å; V263-V272 HydrophobicContact CG1-CG2 3.45Å; V263-V272 VanDerWaalsContact CG1-CG2 3.45Å
264V97.6Very high96.2Very high20 Ų2058.8 Ų58.812%0.12132%0.324CS..Hα-helixtrans-101-6.7-179-53.20000114.2H260 A261 G266 F267 G269 H270H260-V264 PolarHBondContact O-N 2.95Å; A261-V264 PolarHBondContact O-N 2.8Å; V264-G266 PolarHBondContact O-N 2.87Å; V264-F267 PolarHBondContact O-N 3.4Å; V264-G269 PolarHBondContact O-N 2.79Å; V264-H270 WeakPolarHBondContact CG1-O 3.13Å
265E97.1Very high95.4Very high85 Ų8559 Ų5940%0.39733%0.326SS..THydrogen-bonded Turntrans-60.1128.3175.3-179.6173.2-164.800111.5R112 A261 F267R112-E265 WeakPolarHBondContact CD-O 3.26Å; R112-E265 IonicContact CZ-OE2 3.21Å; R112-E265 IonicContact NE-OE2 2.69Å; R112-E265 IonicContact NH2-OE1 2.73Å; R112-E265 IonicContact NH2-OE2 3.36Å; R112-E265 PolarHBondContact NH2-OE2 2.6Å; A261-E265 WeakPolarHBondContact O-CB 3.2Å; A261-E265 PolarHBondContact O-N 2.81Å; A261-E265 VanDerWaalsContact O-N 3.11Å; E265-F267 WeakPolarHBondContact O-CD2 3.42Å; E265-F267 PolarHBondContact O-N 2.66Å
266G94.3Very high94.2Very high81 Ų8160 Ų6084%0.83533%0.328SS*.THydrogen-bonded Turntrans79.5-12.6-171.600000115.3V264V264-G266 PolarHBondContact O-N 2.87Å
267F94.5Very high92.3Very high73 Ų7365 Ų6532%0.3235%0.351SS..THydrogen-bonded Turntrans-105.332.8179.6-66.5-89.8000112.5R112 V113 V264 E265 G269 H270R112-F267 HydrophobicContact CG-CE2 4.17Å; V113-F267 HydrophobicContact CG2-CZ 4.32Å; V264-F267 PolarHBondContact O-N 3.4Å; E265-F267 WeakPolarHBondContact O-CD2 3.42Å; E265-F267 PolarHBondContact O-N 2.66Å; F267-G269 PolarHBondContact O-N 2.94Å; F267-H270 WeakPolarHBondContact O-CB 3.37Å; F267-H270 PolarHBondContact O-CD2 2.86Å; F267-H270 PolarHBondContact O-N 2.93Å
268M92.6Very high90.3Very high176 Ų17668.5 Ų68.587%0.86737%0.367SS*.THydrogen-bonded Turntrans5421.5-177.9-55.5176.365.200114.8H270M268-H270 VanDerWaalsContact C-N 3.27Å; M268-H270 PolarHBondContact O-N 3.45Å
269G89.6Confident88.3Confident47 Ų4770.2 Ų70.249%0.48538%0.38SS..THydrogen-bonded Turntrans80.7-0.8-173.500000114.6V264 F267V264-G269 PolarHBondContact O-N 2.79Å; F267-G269 PolarHBondContact O-N 2.94Å
270H93.7Very high86.2Confident117 Ų11766 Ų6654%0.54237%0.368SS..PPolyproline II helixtrans-65.1128.5178.1-71.3-67.5000111.3R116 V264 F267 M268R116-H270 PolarHBondContact NH1-O 2.73Å; R116-H270 PolarHBondContact NH2-O 2.91Å; V264-H270 WeakPolarHBondContact CG1-O 3.13Å; F267-H270 WeakPolarHBondContact O-CB 3.37Å; F267-H270 PolarHBondContact O-CD2 2.86Å; F267-H270 PolarHBondContact O-N 2.93Å; M268-H270 VanDerWaalsContact C-N 3.27Å; M268-H270 PolarHBondContact O-N 3.45Å
271P95.8Very high84.4Confident50 Ų5072.1 Ų72.133%0.32540%0.401SS..PPolyproline II helixtrans-55.4168.1172.8-25.835.6000112.9R116 R258 R259R116-P271 PolarHBondContact NH2-O 3.01Å; R258-P271 CarbonylContact O-C 3.43Å; R258-P271 WeakPolarHBondContact O-CA 3.32Å; R258-P271 WeakPolarHBondContact O-CB 3.49Å; R259-P271 HydrophobicContact CG-CB 4.11Å; R259-P271 HydrophobicContact CG-CG 4Å
272V97Very high83Confident4 Ų471.8 Ų71.82%0.02440%0.395CS..PPolyproline II helixtrans-72.6128.6163.8-179.60000109R116 V119 R258 V263R116-V272 HydrophobicContact CB-CG2 4Å; R116-V272 HydrophobicContact CG-CG2 3.74Å; R116-V272 VanDerWaalsContact O-CG1 3.31Å; R116-V272 WeakPolarHBondContact O-CG1 3.26Å; V119-V272 HydrophobicContact CB-CG1 4.32Å; V119-V272 HydrophobicContact CG1-CB 4.08Å; V119-V272 HydrophobicContact CG1-CG1 4.02Å; V119-V272 HydrophobicContact CG1-CG2 4.14Å; R258-V272 HydrophobicContact CB-CB 3.9Å; R258-V272 PolarHBondContact O-N 3.36Å; V263-V272 HydrophobicContact CG1-CG2 3.45Å; V263-V272 VanDerWaalsContact CG1-CG2 3.45Å
273D93.9Very high82.3Confident109 Ų10977.7 Ų77.758%0.58343%0.433SS*.PPolyproline II helixtrans-81.8151.3171.2-155.4-30.5000110.3S120 D275S120-D273 WeakPolarHBondContact CA-O 3.43Å; S120-D273 WeakPolarHBondContact CB-O 3.28Å; S120-D273 PolarHBondContact OG-O 2.95Å; D273-D275 PolarHBondContact OD1-N 3.43Å
274L93.2Very high82Confident20 Ų2079 Ų7911%0.10544%0.44CS..  trans-109.54.5179.9-50.5-176.1000112.2H68 Y124 E276H68-L274 PolarHBondContact CD2-O 3.2Å; H68-L274 VanDerWaalsContact CD2-O 3.26Å; H68-L274 PolarHBondContact NE2-O 2.89Å; Y124-L274 VanDerWaalsContact CD2-O 3.23Å; Y124-L274 WeakPolarHBondContact CD2-O 3.35Å; L274-E276 HydrophobicContact CB-CG 3.8Å; L274-E276 PolarHBondContact O-N 2.96Å; L274-E276 VanDerWaalsContact O-N 3.13Å
275D82.6Confident81.8Confident29 Ų2980.5 Ų80.516%0.15545%0.447CS..  trans51.233.4-179.6-61.5-7.5000114.3H68 K69 D273 E277 K278H68-D275 IonicContact NE2-OD2 2.71Å; K69-D275 WeakPolarHBondContact CD-OD2 3.36Å; K69-D275 WeakPolarHBondContact CE-OD2 3.44Å; K69-D275 VanDerWaalsContact CG-OD2 3.24Å; K69-D275 WeakPolarHBondContact CG-OD2 3.43Å; K69-D275 IonicContact NZ-OD1 2.66Å; K69-D275 PolarHBondContact NZ-OD1 3.46Å; K69-D275 IonicContact NZ-OD2 3.69Å; K69-D275 PolarHBondContact NZ-OD2 3.03Å; D273-D275 PolarHBondContact OD1-N 3.43Å; D275-E277 PolarHBondContact O-N 2.83Å; D275-K278 PolarHBondContact O-N 3.08Å; D275-K278 VanDerWaalsContact O-N 3.15Å
276E69.4Low81.7Confident102 Ų10280.6 Ų80.648%0.47745%0.449SS..THydrogen-bonded Turntrans-61.8-19.4-170.9-51.2-158.2137.400113.5S127 L274 K278S127-E276 WeakPolarHBondContact CB-OE1 3.44Å; S127-E276 PolarHBondContact OG-OE1 2.94Å; L274-E276 HydrophobicContact CB-CG 3.8Å; L274-E276 PolarHBondContact O-N 2.96Å; L274-E276 VanDerWaalsContact O-N 3.13Å; E276-K278 PolarHBondContact O-N 3.4Å
277E58.4Low81.8Confident188 Ų18881.6 Ų81.688%0.87943%0.432SS*.THydrogen-bonded Turntrans-64.3-18.5177.6-60.5-164156.100114.4D275 I279D275-E277 PolarHBondContact O-N 2.83Å; E277-I279 PolarHBondContact O-N 3.43Å
278K57.6Low81.9Confident75 Ų7578.1 Ų78.133%0.32642%0.417SS..  trans-75.856.8170.5-74.2-144.2-178-166.90112.2N67 D275 E276 E327N67-K278 PolarHBondContact ND2-O 3.17Å; D275-K278 PolarHBondContact O-N 3.08Å; D275-K278 VanDerWaalsContact O-N 3.15Å; E276-K278 PolarHBondContact O-N 3.4Å; K278-E327 IonicContact NZ-OE1 3.88Å; K278-E327 PolarHBondContact NZ-OE1 2.87Å; K278-E327 IonicContact NZ-OE2 2.79Å; K278-E327 PolarHBondContact NZ-OE2 3.08Å
279I55.1Low82.2Confident105 Ų10569.8 Ų69.854%0.53838%0.375SS..  trans-48.9135.5169.2-55.7174.1000108.6E277 L281 S282E277-I279 PolarHBondContact O-N 3.43Å; I279-L281 HydrophobicContact CG2-CB 4.2Å; I279-L281 PolarHBondContact O-N 3.34Å; I279-S282 PolarHBondContact O-N 3.31Å; I279-S282 VanDerWaalsContact O-N 3.08Å
280P54.5Low82.5Confident32 Ų3269.3 Ų69.321%0.20837%0.367CS..THydrogen-bonded Turntrans-59.70.1178.9-27.236000116.6R310P280-R310 WeakPolarHBondContact O-CD 3.36Å; P280-R310 PolarHBondContact O-NH1 3.44Å
281L61.1Low82.7Confident145 Ų14564.9 Ų64.976%0.75935%0.347SS*.THydrogen-bonded Turntrans-113.925.1179.6-61.5173.6000112.1I279I279-L281 HydrophobicContact CG2-CB 4.2Å; I279-L281 PolarHBondContact O-N 3.34Å
282S68.5Low82.8Confident48 Ų4862.6 Ų62.634%0.33633%0.332SS..PPolyproline II helixtrans-48.9135.9168.954.10000110.8I279 L284I279-S282 PolarHBondContact O-N 3.31Å; I279-S282 VanDerWaalsContact O-N 3.08Å; S282-L284 PolarHBondContact O-N 3.04Å
283P83.5Confident82.8Confident126 Ų12663.9 Ų63.982%0.81834%0.339SS*.PPolyproline II helixtrans-57.2130.2-178.2-2634.8000111.7N285P283-N285 PolarHBondContact O-N 3.39Å
284L91.6Very high82.9Confident28 Ų2860.5 Ų60.515%0.14733%0.326CS..PPolyproline II helixtrans-58.2134.5179.5-67.6177.1000110.8S282 M286 V289 A304 L307 Q308 Y319S282-L284 PolarHBondContact O-N 3.04Å; L284-M286 HydrophobicContact CB-SD 4.08Å; L284-M286 WeakPolarHBondContact O-CG 3.24Å; L284-M286 PolarHBondContact O-N 2.77Å; L284-V289 HydrophobicContact CB-CG2 4.1Å; L284-V289 HydrophobicContact CD1-CG2 4.4Å; L284-A304 HydrophobicContact CD1-CB 4.17Å; L284-A304 WeakPolarHBondContact CD1-O 3.24Å; L284-L307 HydrophobicContact CD1-CB 3.69Å; L284-L307 HydrophobicContact CD1-CD1 4.46Å; L284-L307 HydrophobicContact CD2-CB 4.12Å; L284-Q308 HydrophobicContact CD1-CG 3.97Å; L284-Y319 WeakPolarHBondContact CA-OH 3.17Å; L284-Y319 HydrophobicContact CD2-CE1 3.92Å; L284-Y319 HydrophobicContact CD2-CE2 4.09Å
285N94Very high83Confident51 Ų5163.7 Ų63.727%0.27334%0.338SS..  trans-65.999.4174-176.2-47.4000109.8P283 Q287 I288 V289 Y319 L326P283-N285 PolarHBondContact O-N 3.39Å; N285-Q287 PolarHBondContact O-N 3.35Å; N285-Q287 VanDerWaalsContact OD1-CB 3.31Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.34Å; N285-Q287 PolarHBondContact OD1-N 3.11Å; N285-Q287 VanDerWaalsContact OD1-N 3.08Å; N285-I288 HydrophobicContact CB-CB 4.24Å; N285-I288 HydrophobicContact CB-CD1 3.93Å; N285-I288 HydrophobicContact CB-CG1 4.1Å; N285-I288 PolarHBondContact O-N 3.11Å; N285-I288 PolarHBondContact OD1-N 2.92Å; N285-I288 VanDerWaalsContact OD1-N 3.09Å; N285-V289 WeakPolarHBondContact O-CG2 3.19Å; N285-V289 PolarHBondContact O-N 3.24Å; N285-Y319 HydrophobicContact CB-CE2 4.49Å; N285-Y319 PolarHBondContact N-OH 3.31Å; N285-L326 VanDerWaalsContact ND2-CD2 3.33Å; N285-L326 WeakPolarHBondContact ND2-CD2 3.3Å
286M95.2Very high83.7Confident86 Ų8664.5 Ų64.542%0.42434%0.344SS..Hα-helixtrans-70.5-4.4-172.7-58.9-52-64.400114.4L284 V289 A290 K300 A304L284-M286 HydrophobicContact CB-SD 4.08Å; L284-M286 WeakPolarHBondContact O-CG 3.24Å; L284-M286 PolarHBondContact O-N 2.77Å; M286-V289 HydrophobicContact CE-CB 4.3Å; M286-V289 HydrophobicContact CE-CG1 4.21Å; M286-V289 HydrophobicContact SD-CB 4.47Å; M286-V289 HydrophobicContact SD-CG2 4.15Å; M286-A290 WeakPolarHBondContact O-CB 3.39Å; M286-A290 PolarHBondContact O-N 3.36Å; M286-K300 VanDerWaalsContact CE-CE 3.49Å; M286-K300 HydrophobicContact CE-CG 4.28Å; M286-K300 WeakPolarHBondContact O-CE 3.4Å; M286-K300 PolarHBondContact O-NZ 3.13Å; M286-A304 HydrophobicContact CE-CB 4.29Å
287Q96.1Very high84.9Confident103 Ų10369.3 Ų69.348%0.48136%0.358SS..Hα-helixtrans-82.9-45.1167.8-166.7178.6-59.600110.7N285 A290 E291 F332N285-Q287 PolarHBondContact O-N 3.35Å; N285-Q287 VanDerWaalsContact OD1-CB 3.31Å; N285-Q287 WeakPolarHBondContact OD1-CB 3.34Å; N285-Q287 PolarHBondContact OD1-N 3.11Å; N285-Q287 VanDerWaalsContact OD1-N 3.08Å; Q287-A290 WeakPolarHBondContact O-CB 3.35Å; Q287-A290 PolarHBondContact O-N 2.8Å; Q287-A290 VanDerWaalsContact O-N 3.12Å; Q287-E291 PolarHBondContact O-N 2.86Å; Q287-F332 HydrophobicContact CB-CE2 4.03Å; Q287-F332 HydrophobicContact CB-CZ 4.4Å; Q287-F332 HydrophobicContact CG-CD2 4.29Å; Q287-F332 HydrophobicContact CG-CE1 4.46Å; Q287-F332 HydrophobicContact CG-CE2 3.59Å; Q287-F332 HydrophobicContact CG-CZ 3.7Å; Q287-F332 VanDerWaalsContact NE2-CE2 3.26Å
288I97.5Very high86.7Confident0 Ų062.4 Ų62.40%033%0.326CS..Hα-helixtrans-61.4-45.6171.8-62.3177.3000110.3N285 A290 E291 I292 Y319 M322 E323 L326 F332N285-I288 HydrophobicContact CB-CB 4.24Å; N285-I288 HydrophobicContact CB-CD1 3.93Å; N285-I288 HydrophobicContact CB-CG1 4.1Å; N285-I288 PolarHBondContact O-N 3.11Å; N285-I288 PolarHBondContact OD1-N 2.92Å; N285-I288 VanDerWaalsContact OD1-N 3.09Å; I288-A290 PolarHBondContact O-N 2.92Å; I288-E291 PolarHBondContact O-N 2.56Å; I288-E291 VanDerWaalsContact O-N 3.16Å; I288-I292 HydrophobicContact CG2-CD1 3.79Å; I288-I292 HydrophobicContact CG2-CG1 4.42Å; I288-I292 WeakPolarHBondContact O-CG1 3.31Å; I288-I292 PolarHBondContact O-N 3.19Å; I288-Y319 HydrophobicContact CB-CD2 4.2Å; I288-Y319 HydrophobicContact CB-CE2 4.03Å; I288-Y319 HydrophobicContact CG2-CD2 3.49Å; I288-Y319 VanDerWaalsContact CG2-CD2 3.49Å; I288-Y319 HydrophobicContact CG2-CE2 3.83Å; I288-Y319 HydrophobicContact CG2-CG 4.28Å; I288-M322 HydrophobicContact CD1-CB 4.08Å; I288-M322 HydrophobicContact CG1-CB 4.36Å; I288-M322 HydrophobicContact CG2-CB 3.82Å; I288-M322 HydrophobicContact CG2-CE 4.01Å; I288-M322 HydrophobicContact CG2-SD 4.08Å; I288-E323 VanDerWaalsContact CD1-CA 3.5Å; I288-E323 HydrophobicContact CD1-CB 3.97Å; I288-L326 HydrophobicContact CD1-CD2 4.18Å; I288-F332 HydrophobicContact CG1-CE2 3.72Å; I288-F332 HydrophobicContact CG1-CZ 4.44Å
289V97.6Very high88.6Confident0 Ų063.1 Ų63.10%034%0.339CS..Hα-helixtrans-59.2-35.1174.7-176.10000111.2L284 N285 M286 T293 K300 L303 A304 L307 Y319L284-V289 HydrophobicContact CB-CG2 4.1Å; L284-V289 HydrophobicContact CD1-CG2 4.4Å; N285-V289 WeakPolarHBondContact O-CG2 3.19Å; N285-V289 PolarHBondContact O-N 3.24Å; M286-V289 HydrophobicContact CE-CB 4.3Å; M286-V289 HydrophobicContact CE-CG1 4.21Å; M286-V289 HydrophobicContact SD-CB 4.47Å; M286-V289 HydrophobicContact SD-CG2 4.15Å; V289-T293 VanDerWaalsContact O-CB 3.24Å; V289-T293 WeakPolarHBondContact O-CB 3.35Å; V289-T293 PolarHBondContact O-N 3.03Å; V289-T293 PolarHBondContact O-OG1 2.92Å; V289-K300 HydrophobicContact CG1-CG 4.08Å; V289-L303 HydrophobicContact CG1-CB 4.37Å; V289-L303 HydrophobicContact CG1-CD2 3.87Å; V289-L303 HydrophobicContact CG1-CG 4.08Å; V289-L303 WeakPolarHBondContact O-CD2 3.33Å; V289-A304 HydrophobicContact CG1-CB 4.39Å; V289-L307 HydrophobicContact CG2-CD1 3.96Å; V289-Y319 HydrophobicContact CG2-CD2 4.31Å; V289-Y319 HydrophobicContact CG2-CE2 3.98Å
290A97.2Very high90.5Very high37 Ų3762.3 Ų62.331%0.30633%0.331SS..Hα-helixtrans-71.2-37.6176.800000113.1M286 Q287 I288 T293 A294M286-A290 WeakPolarHBondContact O-CB 3.39Å; M286-A290 PolarHBondContact O-N 3.36Å; Q287-A290 WeakPolarHBondContact O-CB 3.35Å; Q287-A290 PolarHBondContact O-N 2.8Å; Q287-A290 VanDerWaalsContact O-N 3.12Å; I288-A290 PolarHBondContact O-N 2.92Å; A290-T293 WeakPolarHBondContact O-CB 3.4Å; A290-T293 PolarHBondContact O-N 2.88Å; A290-A294 VanDerWaalsContact O-CB 3.28Å; A290-A294 WeakPolarHBondContact O-CB 3.39Å; A290-A294 PolarHBondContact O-N 3.42Å
291E97.7Very high92.5Very high25 Ų2566.8 Ų66.812%0.11736%0.358CS..Hα-helixtrans-67.1-44.9175-173.369.8-160.400111.2Q287 I288 T293 A294 Y295 M322 F332 R334 L335Q287-E291 PolarHBondContact O-N 2.86Å; I288-E291 PolarHBondContact O-N 2.56Å; I288-E291 VanDerWaalsContact O-N 3.16Å; E291-T293 PolarHBondContact O-N 3.36Å; E291-A294 CarbonylContact O-C 3.57Å; E291-A294 WeakPolarHBondContact O-CB 3.48Å; E291-A294 PolarHBondContact O-N 2.8Å; E291-A294 VanDerWaalsContact O-N 3.11Å; E291-Y295 PolarHBondContact O-N 2.99Å; E291-M322 HydrophobicContact CB-CE 4.01Å; E291-M322 HydrophobicContact CG-CE 3.82Å; E291-F332 HydrophobicContact CB-CE1 4.12Å; E291-F332 HydrophobicContact CB-CZ 3.91Å; E291-F332 HydrophobicContact CG-CE1 4.19Å; E291-F332 HydrophobicContact CG-CZ 4.41Å; E291-R334 WeakPolarHBondContact OE1-CA 3.35Å; E291-R334 VanDerWaalsContact OE2-CD 3.26Å; E291-R334 WeakPolarHBondContact OE2-CD 3.39Å; E291-R334 IonicContact OE2-CZ 2.94Å; E291-R334 IonicContact OE2-NE 3.15Å; E291-R334 IonicContact OE2-NH1 2.95Å; E291-R334 PolarHBondContact OE2-NH1 3.27Å; E291-L335 HydrophobicContact CG-CB 4.31Å; E291-L335 HydrophobicContact CG-CD1 4.19Å; E291-L335 HydrophobicContact CG-CG 3.95Å; E291-L335 PolarHBondContact OE1-N 3.04Å
292I97.7Very high94.2Very high2 Ų263 Ų631%0.0134%0.336CS..Hα-helixtrans-66.9-36.6176.3-61.8171.1000111I288 A294 Y295 T296 L303 I315 T318 Y319 M322 L335I288-I292 HydrophobicContact CG2-CD1 3.79Å; I288-I292 HydrophobicContact CG2-CG1 4.42Å; I288-I292 WeakPolarHBondContact O-CG1 3.31Å; I288-I292 PolarHBondContact O-N 3.19Å; I292-A294 VanDerWaalsContact C-N 3.33Å; I292-A294 PolarHBondContact O-N 2.66Å; I292-Y295 PolarHBondContact O-N 3.06Å; I292-T296 HydrophobicContact CG2-CG2 3.91Å; I292-T296 WeakPolarHBondContact O-CB 3.35Å; I292-T296 WeakPolarHBondContact O-CG2 3.35Å; I292-T296 PolarHBondContact O-N 2.88Å; I292-T296 PolarHBondContact O-OG1 3.08Å; I292-L303 HydrophobicContact CB-CD2 3.82Å; I292-L303 HydrophobicContact CG2-CD1 4.07Å; I292-L303 HydrophobicContact CG2-CD2 3.64Å; I292-L303 HydrophobicContact CG2-CG 4.47Å; I292-I315 HydrophobicContact CG2-CG2 4.24Å; I292-T318 HydrophobicContact CD1-CG2 3.9Å; I292-T318 HydrophobicContact CG1-CG2 3.99Å; I292-Y319 HydrophobicContact CD1-CD2 4.3Å; I292-M322 HydrophobicContact CD1-SD 4.1Å; I292-M322 HydrophobicContact CG1-SD 3.93Å; I292-L335 HydrophobicContact CG1-CD1 3.87Å
293T97.3Very high95.6Very high30 Ų3060.8 Ų60.818%0.18432%0.32CS..Hα-helixtrans-55.9-49167.8-65.60000110.4V289 A290 E291 Y295 R297 I298 K300 L303V289-T293 VanDerWaalsContact O-CB 3.24Å; V289-T293 WeakPolarHBondContact O-CB 3.35Å; V289-T293 PolarHBondContact O-N 3.03Å; V289-T293 PolarHBondContact O-OG1 2.92Å; A290-T293 WeakPolarHBondContact O-CB 3.4Å; A290-T293 PolarHBondContact O-N 2.88Å; E291-T293 PolarHBondContact O-N 3.36Å; T293-Y295 VanDerWaalsContact C-N 3.26Å; T293-Y295 PolarHBondContact O-N 2.9Å; T293-R297 WeakPolarHBondContact O-CA 3.24Å; T293-R297 PolarHBondContact O-N 3.09Å; T293-I298 WeakPolarHBondContact CG2-O 3.42Å; T293-K300 HydrophobicContact CG2-CB 4.23Å; T293-K300 WeakPolarHBondContact OG1-CA 3.35Å; T293-L303 WeakPolarHBondContact OG1-CD2 3.42Å
294A95.8Very high96.2Very high38 Ų3855.2 Ų55.231%0.31429%0.285SS..Hα-helixtrans-69.1-20.8-178.100000113.5A290 E291 I292 R337A290-A294 VanDerWaalsContact O-CB 3.28Å; A290-A294 WeakPolarHBondContact O-CB 3.39Å; A290-A294 PolarHBondContact O-N 3.42Å; E291-A294 CarbonylContact O-C 3.57Å; E291-A294 WeakPolarHBondContact O-CB 3.48Å; E291-A294 PolarHBondContact O-N 2.8Å; E291-A294 VanDerWaalsContact O-N 3.11Å; I292-A294 VanDerWaalsContact C-N 3.33Å; I292-A294 PolarHBondContact O-N 2.66Å; A294-R337 VanDerWaalsContact O-CZ 3.28Å; A294-R337 PolarHBondContact O-NE 3.45Å; A294-R337 PolarHBondContact O-NH2 3.13Å
295Y95.6Very high96.3Very high87 Ų8759.6 Ų59.634%0.34130%0.3SS..Hα-helixtrans-86.4-53.5172.8-176.8-92.9000112.3V34 E291 I292 T293 L335 R337V34-Y295 HydrophobicContact CG1-CE1 4Å; V34-Y295 HydrophobicContact CG1-CE2 4.34Å; V34-Y295 VanDerWaalsContact CG1-OH 3.27Å; V34-Y295 WeakPolarHBondContact CG1-OH 3.25Å; E291-Y295 PolarHBondContact O-N 2.99Å; I292-Y295 PolarHBondContact O-N 3.06Å; T293-Y295 VanDerWaalsContact C-N 3.26Å; T293-Y295 PolarHBondContact O-N 2.9Å; Y295-L335 HydrophobicContact CD2-CB 3.68Å; Y295-L335 HydrophobicContact CE2-CB 4.47Å; Y295-L335 HydrophobicContact CG-CB 4.03Å; Y295-L335 HydrophobicContact CG-CD1 4.05Å; Y295-R337 HydrophobicContact CD2-CG 4.36Å
296T95.5Very high96.4Very high47 Ų4759.6 Ų59.629%0.28830%0.299SS..Hα-helixtrans-79.6-23.6-172.660.20000114.4I292 I298I292-T296 HydrophobicContact CG2-CG2 3.91Å; I292-T296 WeakPolarHBondContact O-CB 3.35Å; I292-T296 WeakPolarHBondContact O-CG2 3.35Å; I292-T296 PolarHBondContact O-N 2.88Å; I292-T296 PolarHBondContact O-OG1 3.08Å; T296-I298 HydrophobicContact CG2-CD1 4.44Å; T296-I298 PolarHBondContact O-N 2.96Å; T296-I298 PolarHBondContact OG1-N 3.25Å
297R95.3Very high96.4Very high203 Ų20355.6 Ų55.677%0.76628%0.279SS*.  trans64.89.6-166.8-46.7-178.1-175-177.72115T293T293-R297 WeakPolarHBondContact O-CA 3.24Å; T293-R297 PolarHBondContact O-N 3.09Å
298I96.6Very high96.2Very high42 Ų4256.8 Ų56.822%0.21529%0.285CS..  trans-70.4129.5170.1-60.6169.5000108.2T293 T296 E302 L303 M306 I315T293-I298 WeakPolarHBondContact CG2-O 3.42Å; T296-I298 HydrophobicContact CG2-CD1 4.44Å; T296-I298 PolarHBondContact O-N 2.96Å; T296-I298 PolarHBondContact OG1-N 3.25Å; I298-E302 HydrophobicContact CG2-CB 4.27Å; I298-E302 HydrophobicContact CG2-CG 4.09Å; I298-L303 HydrophobicContact CB-CB 4.44Å; I298-L303 HydrophobicContact CG2-CB 3.94Å; I298-M306 HydrophobicContact CD1-CE 4.4Å; I298-M306 HydrophobicContact CD1-SD 4.32Å; I298-M306 HydrophobicContact CG2-SD 4.14Å; I298-I315 HydrophobicContact CD1-CD1 3.8Å
299P97.3Very high96Very high90 Ų9063.5 Ų63.558%0.58431%0.314SS*.  trans-56.7138.4-179.4-26.935.4000113.1V301 E302 L303P299-V301 VanDerWaalsContact C-N 3.25Å; P299-V301 PolarHBondContact O-N 2.72Å; P299-E302 PolarHBondContact O-N 3.17Å; P299-L303 PolarHBondContact O-N 2.8Å
300K95.9Very high95.7Very high88 Ų8865.7 Ų65.738%0.38332%0.322SS..Hα-helixtrans-51.9-37.2-172-175168.7177.4169.90114.7M286 V289 T293 A304M286-K300 VanDerWaalsContact CE-CE 3.49Å; M286-K300 HydrophobicContact CE-CG 4.28Å; M286-K300 WeakPolarHBondContact O-CE 3.4Å; M286-K300 PolarHBondContact O-NZ 3.13Å; V289-K300 HydrophobicContact CG1-CG 4.08Å; T293-K300 HydrophobicContact CG2-CB 4.23Å; T293-K300 WeakPolarHBondContact OG1-CA 3.35Å; K300-A304 WeakPolarHBondContact O-CB 3.43Å; K300-A304 PolarHBondContact O-N 2.83Å; K300-A304 VanDerWaalsContact O-N 3.09Å
301V96.1Very high95.5Very high126 Ų12666.5 Ų66.576%0.76433%0.325SS*.Hα-helixtrans-70.3-43.7178.1-179.40000111.4P299 A304 R305P299-V301 VanDerWaalsContact C-N 3.25Å; P299-V301 PolarHBondContact O-N 2.72Å; V301-A304 PolarHBondContact O-N 3.45Å; V301-R305 PolarHBondContact O-N 3.09Å
302E96.8Very high95.5Very high67 Ų6766 Ų6631%0.31332%0.322SS..Hα-helixtrans-69-42.3178.717655-163.200111.2I298 P299 A304 R305 M306I298-E302 HydrophobicContact CG2-CB 4.27Å; I298-E302 HydrophobicContact CG2-CG 4.09Å; P299-E302 PolarHBondContact O-N 3.17Å; E302-A304 VanDerWaalsContact C-N 3.33Å; E302-A304 PolarHBondContact O-N 3.12Å; E302-R305 CarbonylContact O-C 3.45Å; E302-R305 WeakPolarHBondContact O-CB 3.37Å; E302-R305 PolarHBondContact O-N 2.88Å; E302-R305 VanDerWaalsContact O-N 3.13Å; E302-R305 IonicContact OE1-CZ 3.58Å; E302-R305 IonicContact OE1-NE 2.71Å; E302-R305 IonicContact OE1-NH2 2.74Å; E302-R305 PolarHBondContact OE1-NH2 2.9Å; E302-R305 IonicContact OE2-CZ 3.72Å; E302-R305 IonicContact OE2-NE 2.89Å; E302-R305 PolarHBondContact OE2-NE 2.9Å; E302-R305 IonicContact OE2-NH2 3.37Å; E302-R305 PolarHBondContact OE2-NH2 2.98Å; E302-M306 HydrophobicContact CG-SD 4.29Å; E302-M306 WeakPolarHBondContact O-CG 3.22Å; E302-M306 PolarHBondContact O-N 3.14Å
303L97.1Very high95.5Very high0 Ų068.5 Ų68.50%034%0.335CS..Hα-helixtrans-60.4-41.7174.9-17964.2000112V289 I292 T293 I298 P299 M306 L307 I315V289-L303 HydrophobicContact CG1-CB 4.37Å; V289-L303 HydrophobicContact CG1-CD2 3.87Å; V289-L303 HydrophobicContact CG1-CG 4.08Å; V289-L303 WeakPolarHBondContact O-CD2 3.33Å; I292-L303 HydrophobicContact CB-CD2 3.82Å; I292-L303 HydrophobicContact CG2-CD1 4.07Å; I292-L303 HydrophobicContact CG2-CD2 3.64Å; I292-L303 HydrophobicContact CG2-CG 4.47Å; T293-L303 WeakPolarHBondContact OG1-CD2 3.42Å; I298-L303 HydrophobicContact CB-CB 4.44Å; I298-L303 HydrophobicContact CG2-CB 3.94Å; P299-L303 PolarHBondContact O-N 2.8Å; L303-M306 PolarHBondContact O-N 3.31Å; L303-L307 HydrophobicContact CD1-CD1 4.23Å; L303-L307 HydrophobicContact CD1-CG 4.37Å; L303-L307 HydrophobicContact CG-CD1 4.03Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 3.21Å; L303-I315 HydrophobicContact CD1-CG2 3.53Å
304A96Very high95.5Very high10 Ų1069 Ų698%0.08333%0.334CS..Hα-helixtrans-61.9-43.3173.600000111.7L284 M286 V289 K300 V301 E302 M306 L307 Q308L284-A304 HydrophobicContact CD1-CB 4.17Å; L284-A304 WeakPolarHBondContact CD1-O 3.24Å; M286-A304 HydrophobicContact CE-CB 4.29Å; V289-A304 HydrophobicContact CG1-CB 4.39Å; K300-A304 WeakPolarHBondContact O-CB 3.43Å; K300-A304 PolarHBondContact O-N 2.83Å; K300-A304 VanDerWaalsContact O-N 3.09Å; V301-A304 PolarHBondContact O-N 3.45Å; E302-A304 VanDerWaalsContact C-N 3.33Å; E302-A304 PolarHBondContact O-N 3.12Å; A304-M306 VanDerWaalsContact C-N 3.31Å; A304-M306 PolarHBondContact O-N 3.16Å; A304-L307 PolarHBondContact O-N 2.93Å; A304-Q308 WeakPolarHBondContact O-CB 3.31Å; A304-Q308 VanDerWaalsContact O-CG 3.23Å; A304-Q308 WeakPolarHBondContact O-CG 3.43Å; A304-Q308 PolarHBondContact O-N 3.08Å
305R94.7Very high95.6Very high120 Ų12068.9 Ų68.945%0.45333%0.327SS..Hα-helixtrans-63.2-33.8175.8-167.4-166.971.8107.91.2112.9V301 E302V301-R305 PolarHBondContact O-N 3.09Å; E302-R305 CarbonylContact O-C 3.45Å; E302-R305 WeakPolarHBondContact O-CB 3.37Å; E302-R305 PolarHBondContact O-N 2.88Å; E302-R305 VanDerWaalsContact O-N 3.13Å; E302-R305 IonicContact OE1-CZ 3.58Å; E302-R305 IonicContact OE1-NE 2.71Å; E302-R305 IonicContact OE1-NH2 2.74Å; E302-R305 PolarHBondContact OE1-NH2 2.9Å; E302-R305 IonicContact OE2-CZ 3.72Å; E302-R305 IonicContact OE2-NE 2.89Å; E302-R305 PolarHBondContact OE2-NE 2.9Å; E302-R305 IonicContact OE2-NH2 3.37Å; E302-R305 PolarHBondContact OE2-NH2 2.98Å
306M95.7Very high95.6Very high50 Ų5064.8 Ų64.825%0.24631%0.311CS..Hα-helixtrans-68.1-51.5173.2-69.1170.469.200110.9I298 E302 L303 A304 Q308 K309 I315I298-M306 HydrophobicContact CD1-CE 4.4Å; I298-M306 HydrophobicContact CD1-SD 4.32Å; I298-M306 HydrophobicContact CG2-SD 4.14Å; E302-M306 HydrophobicContact CG-SD 4.29Å; E302-M306 WeakPolarHBondContact O-CG 3.22Å; E302-M306 PolarHBondContact O-N 3.14Å; L303-M306 PolarHBondContact O-N 3.31Å; A304-M306 VanDerWaalsContact C-N 3.31Å; A304-M306 PolarHBondContact O-N 3.16Å; M306-Q308 PolarHBondContact O-N 3.49Å; M306-K309 WeakPolarHBondContact O-CB 3.4Å; M306-K309 PolarHBondContact O-N 3.46Å; M306-I315 HydrophobicContact CE-CD1 3.96Å
307L95.1Very high95.8Very high2 Ų262.6 Ų62.61%0.0130%0.298CS..Hα-helixtrans-64.1-36-178.4-71169.3000112.9L284 V289 L303 A304 K309 R310 I315 M316 Y319L284-L307 HydrophobicContact CD1-CB 3.69Å; L284-L307 HydrophobicContact CD1-CD1 4.46Å; L284-L307 HydrophobicContact CD2-CB 4.12Å; V289-L307 HydrophobicContact CG2-CD1 3.96Å; L303-L307 HydrophobicContact CD1-CD1 4.23Å; L303-L307 HydrophobicContact CD1-CG 4.37Å; L303-L307 HydrophobicContact CG-CD1 4.03Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 3.21Å; A304-L307 PolarHBondContact O-N 2.93Å; L307-K309 PolarHBondContact O-N 3.39Å; L307-K309 VanDerWaalsContact O-N 3.14Å; L307-R310 WeakPolarHBondContact O-CA 3.27Å; L307-R310 PolarHBondContact O-N 3.22Å; L307-I315 HydrophobicContact CD2-CG2 4.2Å; L307-M316 HydrophobicContact CB-SD 4.44Å; L307-M316 HydrophobicContact CD2-CB 4.44Å; L307-M316 HydrophobicContact CD2-SD 3.62Å; L307-Y319 HydrophobicContact CD1-CD2 3.7Å; L307-Y319 HydrophobicContact CD1-CE2 4.41Å; L307-Y319 HydrophobicContact CD1-CG 4.08Å; L307-Y319 HydrophobicContact CD2-CD2 4.45Å; L307-Y319 HydrophobicContact CD2-CG 3.98Å
308Q92Very high95.9Very high128 Ų12853.2 Ų53.260%0.59826%0.263SS*.THydrogen-bonded Turntrans-56.8-26.6174.8-81.4169.4-4.100113.7L284 A304 M306 R310L284-Q308 HydrophobicContact CD1-CG 3.97Å; A304-Q308 WeakPolarHBondContact O-CB 3.31Å; A304-Q308 VanDerWaalsContact O-CG 3.23Å; A304-Q308 WeakPolarHBondContact O-CG 3.43Å; A304-Q308 PolarHBondContact O-N 3.08Å; M306-Q308 PolarHBondContact O-N 3.49Å; Q308-R310 PolarHBondContact O-N 2.82Å
309K92Very high95.9Very high142 Ų14251.3 Ų51.362%0.61725%0.253SS*.THydrogen-bonded Turntrans-78-7.9176.1-62.4178.9-178.3-177.30113.6M306 L307M306-K309 WeakPolarHBondContact O-CB 3.4Å; M306-K309 PolarHBondContact O-N 3.46Å; L307-K309 PolarHBondContact O-N 3.39Å; L307-K309 VanDerWaalsContact O-N 3.14Å
310R91.9Very high95.9Very high45 Ų4547.6 Ų47.617%0.1723%0.228CC..  trans40.264.8-172.3-51.6-168.981.2117.18.6112.2P280 L307 Q308 Y312 M316P280-R310 WeakPolarHBondContact O-CD 3.36Å; P280-R310 PolarHBondContact O-NH1 3.44Å; L307-R310 WeakPolarHBondContact O-CA 3.27Å; L307-R310 PolarHBondContact O-N 3.22Å; Q308-R310 PolarHBondContact O-N 2.82Å; R310-Y312 VanDerWaalsContact C-N 3.26Å; R310-Y312 HydrophobicContact CB-CE2 4Å; R310-Y312 WeakPolarHBondContact O-CD2 3.32Å; R310-Y312 WeakPolarHBondContact O-CE2 3.33Å; R310-Y312 PolarHBondContact O-N 3.37Å; R310-M316 HydrophobicContact CB-CE 3.97Å; R310-M316 HydrophobicContact CB-SD 4.45Å; R310-M316 HydrophobicContact CG-CE 3.76Å
311P94.5Very high96Very high55 Ų5543.7 Ų43.736%0.35721%0.211SC..  trans-70.4-16.1-173.327.5-35.4000114.7D313 M316P311-D313 HydrophobicContact CB-CB 4.42Å; P311-D313 HydrophobicContact CG-CB 4.38Å; P311-D313 VanDerWaalsContact CG-OD2 3.25Å; P311-D313 WeakPolarHBondContact CG-OD2 3.17Å; P311-D313 PolarHBondContact O-N 3.31Å; P311-M316 HydrophobicContact CG-CB 4.14Å
312Y96.3Very high96Very high15 Ų1537.8 Ų37.86%0.05918%0.176CC..  trans55.436.6-169.3-63.2-97.9000112.8K64 L74 Q76 V77 R310 M320K64-Y312 HydrophobicContact CB-CE2 4.21Å; K64-Y312 HydrophobicContact CD-CD2 4.1Å; K64-Y312 HydrophobicContact CD-CE2 4.2Å; K64-Y312 HydrophobicContact CG-CD2 3.89Å; K64-Y312 HydrophobicContact CG-CE1 4.4Å; K64-Y312 HydrophobicContact CG-CE2 3.63Å; K64-Y312 HydrophobicContact CG-CG 4.45Å; L74-Y312 HydrophobicContact CB-CE1 4.37Å; L74-Y312 HydrophobicContact CD2-CD1 4.11Å; L74-Y312 HydrophobicContact CD2-CE1 4.25Å; L74-Y312 HydrophobicContact CG-CD1 3.95Å; L74-Y312 HydrophobicContact CG-CE1 4.17Å; L74-Y312 VanDerWaalsContact O-CE1 3.3Å; L74-Y312 WeakPolarHBondContact O-CE1 3.23Å; Q76-Y312 WeakPolarHBondContact CA-O 3.1Å; Q76-Y312 WeakPolarHBondContact CG-O 3.45Å; V77-Y312 PolarHBondContact N-O 2.85Å; R310-Y312 VanDerWaalsContact C-N 3.26Å; R310-Y312 HydrophobicContact CB-CE2 4Å; R310-Y312 WeakPolarHBondContact O-CD2 3.32Å; R310-Y312 WeakPolarHBondContact O-CE2 3.33Å; R310-Y312 PolarHBondContact O-N 3.37Å; Y312-M320 HydrophobicContact CE1-CE 4.29Å; Y312-M320 HydrophobicContact CE1-SD 4.2Å
313D97.2Very high96Very high54 Ų5436 Ų3629%0.28917%0.167SC..SBendtrans-88.9-176.2167.76925.6000111.6P311 I315 M316 A317P311-D313 HydrophobicContact CB-CB 4.42Å; P311-D313 HydrophobicContact CG-CB 4.38Å; P311-D313 VanDerWaalsContact CG-OD2 3.25Å; P311-D313 WeakPolarHBondContact CG-OD2 3.17Å; P311-D313 PolarHBondContact O-N 3.31Å; D313-I315 VanDerWaalsContact C-N 3.28Å; D313-I315 PolarHBondContact O-N 3.09Å; D313-I315 WeakPolarHBondContact OD1-CA 3.4Å; D313-I315 WeakPolarHBondContact OD1-CB 3.45Å; D313-I315 PolarHBondContact OD1-N 3.28Å; D313-M316 PolarHBondContact O-N 3.05Å; D313-M316 PolarHBondContact OD1-N 3.47Å; D313-A317 WeakPolarHBondContact O-CB 3.39Å; D313-A317 PolarHBondContact O-N 3.06Å
314Y97.8Very high95.7Very high41 Ų4136.3 Ų36.316%0.16117%0.17CC..Hα-helixtrans-66.2-27-178.4-172.7-101.1000113.8L12 Y13 H32 V34 T318L12-Y314 HydrophobicContact CB-CD2 3.88Å; L12-Y314 HydrophobicContact CB-CE2 3.5Å; L12-Y314 HydrophobicContact CD1-CD2 4.02Å; L12-Y314 HydrophobicContact CD1-CE2 4.46Å; L12-Y314 HydrophobicContact CD1-CG 4.35Å; L12-Y314 HydrophobicContact CD2-CD1 4.05Å; L12-Y314 HydrophobicContact CD2-CD2 3.96Å; L12-Y314 HydrophobicContact CD2-CE1 3.95Å; L12-Y314 HydrophobicContact CD2-CE2 3.83Å; L12-Y314 HydrophobicContact CD2-CG 4.06Å; L12-Y314 HydrophobicContact CG-CD2 4.16Å; L12-Y314 HydrophobicContact CG-CE2 4.11Å; L12-Y314 PolarHBondContact O-OH 3.34Å; Y13-Y314 AromaticContact CE2-CD2 3.98Å; Y13-Y314 HydrophobicContact CE2-CD2 3.98Å; Y13-Y314 AromaticContact CE2-CE2 3.99Å; Y13-Y314 HydrophobicContact CE2-CE2 3.99Å; H32-Y314 AromaticContact CD2-CE2 3.4Å; H32-Y314 VanDerWaalsContact CD2-CE2 3.4Å; H32-Y314 WeakPolarHBondContact CD2-CE2 3.39Å; H32-Y314 AromaticContact CD2-CZ 3.77Å; H32-Y314 AromaticContact NE2-CD2 3.88Å; H32-Y314 AromaticContact NE2-CE1 3.99Å; H32-Y314 AromaticContact NE2-CE2 3.17Å; H32-Y314 WeakPolarHBondContact NE2-CE2 3.31Å; H32-Y314 AromaticContact NE2-CZ 3.23Å; H32-Y314 PolarHBondContact NE2-OH 3.08Å; V34-Y314 HydrophobicContact CG2-CE1 4.39Å; Y314-T318 WeakPolarHBondContact O-CB 3.39Å; Y314-T318 PolarHBondContact O-N 2.9Å; Y314-T318 PolarHBondContact O-OG1 3.29Å
315I97.5Very high95.5Very high35 Ų3536.5 Ų36.518%0.17917%0.169CC..Hα-helixtrans-77-41.7178-63.1177.3000109.3I292 I298 L303 M306 L307 D313 T318 Y319I292-I315 HydrophobicContact CG2-CG2 4.24Å; I298-I315 HydrophobicContact CD1-CD1 3.8Å; L303-I315 HydrophobicContact CD1-CG2 3.53Å; M306-I315 HydrophobicContact CE-CD1 3.96Å; L307-I315 HydrophobicContact CD2-CG2 4.2Å; D313-I315 VanDerWaalsContact C-N 3.28Å; D313-I315 PolarHBondContact O-N 3.09Å; D313-I315 WeakPolarHBondContact OD1-CA 3.4Å; D313-I315 WeakPolarHBondContact OD1-CB 3.45Å; D313-I315 PolarHBondContact OD1-N 3.28Å; I315-T318 WeakPolarHBondContact O-CB 3.45Å; I315-T318 PolarHBondContact O-N 2.96Å; I315-Y319 PolarHBondContact O-N 2.84Å
316M97.2Very high95.5Very high1 Ų132.6 Ų32.61%0.00516%0.158CC..Hα-helixtrans-62.8-42.7171.3-166.969-165.800111.6L307 R310 P311 D313 T318 Y319 M320L307-M316 HydrophobicContact CB-SD 4.44Å; L307-M316 HydrophobicContact CD2-CB 4.44Å; L307-M316 HydrophobicContact CD2-SD 3.62Å; R310-M316 HydrophobicContact CB-CE 3.97Å; R310-M316 HydrophobicContact CB-SD 4.45Å; R310-M316 HydrophobicContact CG-CE 3.76Å; P311-M316 HydrophobicContact CG-CB 4.14Å; D313-M316 PolarHBondContact O-N 3.05Å; D313-M316 PolarHBondContact OD1-N 3.47Å; M316-T318 PolarHBondContact O-N 2.91Å; M316-Y319 HydrophobicContact CE-CD1 4.4Å; M316-Y319 PolarHBondContact O-N 3.02Å; M316-M320 HydrophobicContact CE-CG 3.81Å; M316-M320 HydrophobicContact CE-SD 3.68Å; M316-M320 HydrophobicContact CG-CG 4.4Å; M316-M320 HydrophobicContact CG-SD 3.96Å; M316-M320 WeakPolarHBondContact O-CG 3.23Å; M316-M320 PolarHBondContact O-N 3.19Å
317A98Very high95.1Very high0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-60.2-44.5174.300000111.6Y75 Q76 D313 Y319 M320 I321Y75-A317 WeakPolarHBondContact O-CA 3.41Å; Y75-A317 WeakPolarHBondContact O-CB 3.48Å; Q76-A317 HydrophobicContact CB-CB 4Å; Q76-A317 HydrophobicContact CG-CB 4.45Å; D313-A317 WeakPolarHBondContact O-CB 3.39Å; D313-A317 PolarHBondContact O-N 3.06Å; A317-Y319 VanDerWaalsContact C-N 3.34Å; A317-Y319 PolarHBondContact O-N 3.04Å; A317-M320 PolarHBondContact O-N 3.03Å; A317-I321 WeakPolarHBondContact O-CB 3.32Å; A317-I321 WeakPolarHBondContact O-CD1 3.37Å; A317-I321 WeakPolarHBondContact O-CG1 3.33Å; A317-I321 PolarHBondContact O-N 3.19Å
318T98.3Very high94.6Very high7 Ų739.7 Ų39.74%0.04319%0.19CC..Hα-helixtrans-57.5-47174.2-590000111.3H32 V34 T35 I292 Y314 I315 M316 M322 L335H32-T318 PolarHBondContact CE1-OG1 3.25Å; H32-T318 VanDerWaalsContact CE1-OG1 3.26Å; H32-T318 PolarHBondContact NE2-OG1 3.05Å; V34-T318 HydrophobicContact CG2-CG2 3.98Å; T35-T318 HydrophobicContact CG2-CG2 4.3Å; I292-T318 HydrophobicContact CD1-CG2 3.9Å; I292-T318 HydrophobicContact CG1-CG2 3.99Å; Y314-T318 WeakPolarHBondContact O-CB 3.39Å; Y314-T318 PolarHBondContact O-N 2.9Å; Y314-T318 PolarHBondContact O-OG1 3.29Å; I315-T318 WeakPolarHBondContact O-CB 3.45Å; I315-T318 PolarHBondContact O-N 2.96Å; M316-T318 PolarHBondContact O-N 2.91Å; T318-M322 HydrophobicContact CG2-SD 4Å; T318-M322 VanDerWaalsContact O-CG 3.24Å; T318-M322 WeakPolarHBondContact O-CG 3.47Å; T318-M322 PolarHBondContact O-N 2.65Å; T318-M322 VanDerWaalsContact O-N 3.15Å; T318-L335 HydrophobicContact CG2-CD1 4.14Å; T318-L335 HydrophobicContact CG2-CD2 4.34Å
319Y97.6Very high94.4Very high1 Ų138.9 Ų38.90%0.00419%0.186CC..Hα-helixtrans-61.1-52.4177.4176.7-86.6000112L284 N285 I288 V289 I292 L307 I315 M316 A317 I321 M322 E323L284-Y319 WeakPolarHBondContact CA-OH 3.17Å; L284-Y319 HydrophobicContact CD2-CE1 3.92Å; L284-Y319 HydrophobicContact CD2-CE2 4.09Å; N285-Y319 HydrophobicContact CB-CE2 4.49Å; N285-Y319 PolarHBondContact N-OH 3.31Å; I288-Y319 HydrophobicContact CB-CD2 4.2Å; I288-Y319 HydrophobicContact CB-CE2 4.03Å; I288-Y319 HydrophobicContact CG2-CD2 3.49Å; I288-Y319 VanDerWaalsContact CG2-CD2 3.49Å; I288-Y319 HydrophobicContact CG2-CE2 3.83Å; I288-Y319 HydrophobicContact CG2-CG 4.28Å; V289-Y319 HydrophobicContact CG2-CD2 4.31Å; V289-Y319 HydrophobicContact CG2-CE2 3.98Å; I292-Y319 HydrophobicContact CD1-CD2 4.3Å; L307-Y319 HydrophobicContact CD1-CD2 3.7Å; L307-Y319 HydrophobicContact CD1-CE2 4.41Å; L307-Y319 HydrophobicContact CD1-CG 4.08Å; L307-Y319 HydrophobicContact CD2-CD2 4.45Å; L307-Y319 HydrophobicContact CD2-CG 3.98Å; I315-Y319 PolarHBondContact O-N 2.84Å; M316-Y319 HydrophobicContact CE-CD1 4.4Å; M316-Y319 PolarHBondContact O-N 3.02Å; A317-Y319 VanDerWaalsContact C-N 3.34Å; A317-Y319 PolarHBondContact O-N 3.04Å; Y319-I321 VanDerWaalsContact C-N 3.35Å; Y319-I321 PolarHBondContact O-N 3.42Å; Y319-M322 PolarHBondContact O-N 3.13Å; Y319-E323 HydrophobicContact CE1-CB 4.22Å; Y319-E323 HydrophobicContact CE1-CG 4.39Å; Y319-E323 WeakPolarHBondContact CE1-OE1 3.36Å; Y319-E323 WeakPolarHBondContact CE1-OE2 3.39Å; Y319-E323 WeakPolarHBondContact O-CB 3.37Å; Y319-E323 PolarHBondContact O-N 3.44Å; Y319-E323 PolarHBondContact OH-OE1 3.45Å
320M96.4Very high94.3Very high13 Ų1338.7 Ų38.76%0.06419%0.192CC..Hα-helixtrans-67.1-32.2-175.6-70.3178.86100113.3L74 Y75 Y312 M316 A317 S324L74-M320 WeakPolarHBondContact O-CE 3.4Å; Y75-M320 HydrophobicContact CD1-CB 3.63Å; Y75-M320 HydrophobicContact CD1-CE 4.22Å; Y75-M320 HydrophobicContact CE1-CB 3.97Å; Y312-M320 HydrophobicContact CE1-CE 4.29Å; Y312-M320 HydrophobicContact CE1-SD 4.2Å; M316-M320 HydrophobicContact CE-CG 3.81Å; M316-M320 HydrophobicContact CE-SD 3.68Å; M316-M320 HydrophobicContact CG-CG 4.4Å; M316-M320 HydrophobicContact CG-SD 3.96Å; M316-M320 WeakPolarHBondContact O-CG 3.23Å; M316-M320 PolarHBondContact O-N 3.19Å; A317-M320 PolarHBondContact O-N 3.03Å; M320-S324 WeakPolarHBondContact O-CB 3.33Å; M320-S324 PolarHBondContact O-N 3.18Å; M320-S324 PolarHBondContact O-OG 3.24Å
321I97.4Very high94.3Very high5 Ų539.8 Ų39.83%0.02620%0.204CC..Hα-helixtrans-69.7-40.9173.9-68.5165.5000110.6H32 T35 Q37 V39 Y75 A317 Y319 V325H32-I321 HydrophobicContact CB-CD1 4.04Å; T35-I321 HydrophobicContact CG2-CG2 4.16Å; T35-I321 WeakPolarHBondContact OG1-CG2 3.35Å; Q37-I321 HydrophobicContact CB-CG2 3.77Å; Q37-I321 HydrophobicContact CG-CG2 4.08Å; V39-I321 HydrophobicContact CG1-CD1 3.76Å; V39-I321 HydrophobicContact CG1-CG1 4.48Å; Y75-I321 HydrophobicContact CD1-CG1 3.96Å; Y75-I321 HydrophobicContact CD2-CD1 4.09Å; Y75-I321 HydrophobicContact CD2-CG1 3.72Å; Y75-I321 HydrophobicContact CE1-CG1 4.04Å; Y75-I321 HydrophobicContact CE2-CG1 3.8Å; Y75-I321 HydrophobicContact CG-CD1 4.26Å; Y75-I321 HydrophobicContact CG-CG1 3.8Å; A317-I321 WeakPolarHBondContact O-CB 3.32Å; A317-I321 WeakPolarHBondContact O-CD1 3.37Å; A317-I321 WeakPolarHBondContact O-CG1 3.33Å; A317-I321 PolarHBondContact O-N 3.19Å; Y319-I321 VanDerWaalsContact C-N 3.35Å; Y319-I321 PolarHBondContact O-N 3.42Å; I321-V325 WeakPolarHBondContact O-CG2 3.04Å; I321-V325 PolarHBondContact O-N 3.49Å; I321-V325 VanDerWaalsContact O-N 3.17Å
322M97.6Very high94.3Very high3 Ų339.1 Ų39.12%0.01520%0.195CC..Hα-helixtrans-68.9-35.7175-69.2175.967.600112.5T35 I288 E291 I292 T318 Y319 L326 F332 I333 L335T35-M322 HydrophobicContact CG2-CG 3.67Å; T35-M322 HydrophobicContact CG2-SD 4.33Å; I288-M322 HydrophobicContact CD1-CB 4.08Å; I288-M322 HydrophobicContact CG1-CB 4.36Å; I288-M322 HydrophobicContact CG2-CB 3.82Å; I288-M322 HydrophobicContact CG2-CE 4.01Å; I288-M322 HydrophobicContact CG2-SD 4.08Å; E291-M322 HydrophobicContact CB-CE 4.01Å; E291-M322 HydrophobicContact CG-CE 3.82Å; I292-M322 HydrophobicContact CD1-SD 4.1Å; I292-M322 HydrophobicContact CG1-SD 3.93Å; T318-M322 HydrophobicContact CG2-SD 4Å; T318-M322 VanDerWaalsContact O-CG 3.24Å; T318-M322 WeakPolarHBondContact O-CG 3.47Å; T318-M322 PolarHBondContact O-N 2.65Å; T318-M322 VanDerWaalsContact O-N 3.15Å; Y319-M322 PolarHBondContact O-N 3.13Å; M322-L326 WeakPolarHBondContact O-CB 3.23Å; M322-L326 PolarHBondContact O-N 2.91Å; M322-L326 VanDerWaalsContact O-N 3.13Å; M322-F332 HydrophobicContact CE-CZ 4.32Å; M322-I333 HydrophobicContact CE-CB 4.4Å; M322-I333 WeakPolarHBondContact CE-O 3.31Å; M322-I333 HydrophobicContact CG-CB 4.26Å; M322-I333 HydrophobicContact CG-CD1 4.36Å; M322-L335 HydrophobicContact CE-CG 4.33Å; M322-L335 HydrophobicContact SD-CD1 3.97Å; M322-L335 HydrophobicContact SD-CD2 3.88Å; M322-L335 HydrophobicContact SD-CG 4.02Å
323E94.8Very high94.2Very high29 Ų2939.3 Ų39.314%0.13620%0.197CC..Hα-helixtrans-66.2-46.6176.7-177.2171.7-110.800110.5I288 Y319 L326 E327I288-E323 VanDerWaalsContact CD1-CA 3.5Å; I288-E323 HydrophobicContact CD1-CB 3.97Å; Y319-E323 HydrophobicContact CE1-CB 4.22Å; Y319-E323 HydrophobicContact CE1-CG 4.39Å; Y319-E323 WeakPolarHBondContact CE1-OE1 3.36Å; Y319-E323 WeakPolarHBondContact CE1-OE2 3.39Å; Y319-E323 WeakPolarHBondContact O-CB 3.37Å; Y319-E323 PolarHBondContact O-N 3.44Å; Y319-E323 PolarHBondContact OH-OE1 3.45Å; E323-L326 PolarHBondContact O-N 2.91Å; E323-E327 WeakPolarHBondContact O-CG 3.35Å; E323-E327 PolarHBondContact O-N 2.85Å
324S92.2Very high94.1Very high7 Ų744.3 Ų44.35%0.04921%0.212CC..Hα-helixtrans-63-44.9179-55.90000112.5K73 Y75 M320 L326 E327 E328K73-S324 WeakPolarHBondContact CD-OG 3.48Å; K73-S324 VanDerWaalsContact NZ-CB 3.29Å; K73-S324 PolarHBondContact NZ-OG 2.96Å; Y75-S324 PolarHBondContact OH-OG 3.27Å; M320-S324 WeakPolarHBondContact O-CB 3.33Å; M320-S324 PolarHBondContact O-N 3.18Å; M320-S324 PolarHBondContact O-OG 3.24Å; S324-L326 VanDerWaalsContact C-N 3.29Å; S324-L326 PolarHBondContact O-N 3.14Å; S324-E327 PolarHBondContact O-N 3.45Å; S324-E328 VanDerWaalsContact O-CB 3.27Å; S324-E328 WeakPolarHBondContact O-CB 3.22Å; S324-E328 WeakPolarHBondContact O-CG 3.45Å; S324-E328 PolarHBondContact O-N 3.24Å
325V92Very high94Very high13 Ų1342.8 Ų42.88%0.07921%0.206CC..Hα-helixtrans-68.2-29178171.40000112.4Q37 I321 E329 D330 V331 I333Q37-V325 HydrophobicContact CG-CG2 3.99Å; I321-V325 WeakPolarHBondContact O-CG2 3.04Å; I321-V325 PolarHBondContact O-N 3.49Å; I321-V325 VanDerWaalsContact O-N 3.17Å; V325-E329 HydrophobicContact CG1-CB 4.24Å; V325-E329 HydrophobicContact CG1-CG 4.3Å; V325-E329 WeakPolarHBondContact O-CA 3.48Å; V325-E329 WeakPolarHBondContact O-CB 3.5Å; V325-E329 PolarHBondContact O-N 3.45Å; V325-D330 PolarHBondContact O-N 2.98Å; V325-V331 HydrophobicContact CG1-CB 3.9Å; V325-V331 HydrophobicContact CG1-CG1 4.27Å; V325-V331 PolarHBondContact O-N 2.99Å; V325-I333 HydrophobicContact CB-CD1 4.06Å; V325-I333 HydrophobicContact CB-CG1 4.49Å; V325-I333 HydrophobicContact CG1-CD1 3.98Å; V325-I333 HydrophobicContact CG1-CG1 4.03Å; V325-I333 HydrophobicContact CG2-CD1 4.23Å
326L93.5Very high93.1Very high39 Ų3947.3 Ų47.320%0.20423%0.227CC..Hα-helixtrans-75.2-35.8172.6-172.465.6000112.3N285 I288 M322 E323 S324 F332N285-L326 VanDerWaalsContact ND2-CD2 3.33Å; N285-L326 WeakPolarHBondContact ND2-CD2 3.3Å; I288-L326 HydrophobicContact CD1-CD2 4.18Å; M322-L326 WeakPolarHBondContact O-CB 3.23Å; M322-L326 PolarHBondContact O-N 2.91Å; M322-L326 VanDerWaalsContact O-N 3.13Å; E323-L326 PolarHBondContact O-N 2.91Å; S324-L326 VanDerWaalsContact C-N 3.29Å; S324-L326 PolarHBondContact O-N 3.14Å; L326-F332 HydrophobicContact CD1-CB 4.19Å; L326-F332 HydrophobicContact CD1-CD2 4.28Å; L326-F332 HydrophobicContact CD2-CD2 4.13Å
327E88Confident91.7Very high108 Ų10855.4 Ų55.451%0.50526%0.257SS..Hα-helixtrans-72.2-34.6174.7-73.5-169.115500113.2K278 E323 S324K278-E327 IonicContact NZ-OE1 3.88Å; K278-E327 PolarHBondContact NZ-OE1 2.87Å; K278-E327 IonicContact NZ-OE2 2.79Å; K278-E327 PolarHBondContact NZ-OE2 3.08Å; E323-E327 WeakPolarHBondContact O-CG 3.35Å; E323-E327 PolarHBondContact O-N 2.85Å; S324-E327 PolarHBondContact O-N 3.45Å
328E84.9Confident89.6Confident93 Ų9366.7 Ų66.744%0.43530%0.3SS..Hα-helixtrans-103.7-30.6-169.3-66.8169.6-123.800113.7K73 R149 S324K73-E328 IonicContact NZ-OE1 3.51Å; K73-E328 PolarHBondContact NZ-OE1 3.2Å; R149-E328 IonicContact CZ-OE2 3.9Å; R149-E328 IonicContact NH2-OE2 2.77Å; R149-E328 PolarHBondContact NH2-OE2 3.38Å; S324-E328 VanDerWaalsContact O-CB 3.27Å; S324-E328 WeakPolarHBondContact O-CB 3.22Å; S324-E328 WeakPolarHBondContact O-CG 3.45Å; S324-E328 PolarHBondContact O-N 3.24Å
329E87.3Confident86.9Confident111 Ų11171.6 Ų71.652%0.51934%0.335SS..Hα-helixtrans-113.6-8.1-179-55.2177.8-161.800113.8V325 V331V325-E329 HydrophobicContact CG1-CB 4.24Å; V325-E329 HydrophobicContact CG1-CG 4.3Å; V325-E329 WeakPolarHBondContact O-CA 3.48Å; V325-E329 WeakPolarHBondContact O-CB 3.5Å; V325-E329 PolarHBondContact O-N 3.45Å; E329-V331 HydrophobicContact CB-CB 4.12Å; E329-V331 HydrophobicContact CB-CG2 3.89Å; E329-V331 PolarHBondContact O-N 3.27Å
330D89.9Confident83.9Confident138 Ų13877.9 Ų77.974%0.73837%0.368SS*.  trans55.125.3-165.2-163.129.1000113.7V325V325-D330 PolarHBondContact O-N 2.98Å
331V91.6Very high80.8Confident68 Ų6882.7 Ų82.741%0.41240%0.4SS..  trans-101.9108.5-176.2173.30000111.5V325 E329 I333V325-V331 HydrophobicContact CG1-CB 3.9Å; V325-V331 HydrophobicContact CG1-CG1 4.27Å; V325-V331 PolarHBondContact O-N 2.99Å; E329-V331 HydrophobicContact CB-CB 4.12Å; E329-V331 HydrophobicContact CB-CG2 3.89Å; E329-V331 PolarHBondContact O-N 3.27Å; V331-I333 PolarHBondContact O-N 3.36Å; V331-I333 VanDerWaalsContact O-N 3.14Å
332F95.1Very high77.8Confident41 Ų4187.9 Ų87.918%0.1843%0.434CS..  trans-77.4100.1171.3-166.4-90.1000112.5Q287 I288 E291 M322 L326 R334Q287-F332 HydrophobicContact CB-CE2 4.03Å; Q287-F332 HydrophobicContact CB-CZ 4.4Å; Q287-F332 HydrophobicContact CG-CD2 4.29Å; Q287-F332 HydrophobicContact CG-CE1 4.46Å; Q287-F332 HydrophobicContact CG-CE2 3.59Å; Q287-F332 HydrophobicContact CG-CZ 3.7Å; Q287-F332 VanDerWaalsContact NE2-CE2 3.26Å; I288-F332 HydrophobicContact CG1-CE2 3.72Å; I288-F332 HydrophobicContact CG1-CZ 4.44Å; E291-F332 HydrophobicContact CB-CE1 4.12Å; E291-F332 HydrophobicContact CB-CZ 3.91Å; E291-F332 HydrophobicContact CG-CE1 4.19Å; E291-F332 HydrophobicContact CG-CZ 4.41Å; M322-F332 HydrophobicContact CE-CZ 4.32Å; L326-F332 HydrophobicContact CD1-CB 4.19Å; L326-F332 HydrophobicContact CD1-CD2 4.28Å; L326-F332 HydrophobicContact CD2-CD2 4.13Å; F332-R334 PolarHBondContact O-N 2.69Å
333I95.1Very high74.8Confident18 Ų1893.6 Ų93.69%0.09247%0.472CS..  trans-61.5131.1176.8-56-175.9000111.2T35 Q37 M322 V325 V331 L335T35-I333 HydrophobicContact CG2-CD1 4.35Å; T35-I333 HydrophobicContact CG2-CG2 4.42Å; Q37-I333 HydrophobicContact CG-CD1 3.77Å; M322-I333 HydrophobicContact CE-CB 4.4Å; M322-I333 WeakPolarHBondContact CE-O 3.31Å; M322-I333 HydrophobicContact CG-CB 4.26Å; M322-I333 HydrophobicContact CG-CD1 4.36Å; V325-I333 HydrophobicContact CB-CD1 4.06Å; V325-I333 HydrophobicContact CB-CG1 4.49Å; V325-I333 HydrophobicContact CG1-CD1 3.98Å; V325-I333 HydrophobicContact CG1-CG1 4.03Å; V325-I333 HydrophobicContact CG2-CD1 4.23Å; V331-I333 PolarHBondContact O-N 3.36Å; V331-I333 VanDerWaalsContact O-N 3.14Å; I333-L335 HydrophobicContact CG2-CD2 4.41Å
334R95Very high71.9Confident159 Ų15997.6 Ų97.660%0.650%0.503SS*.  trans-99.9129.4166.9-64.5-63.4-178.3178.8-3.8110.6E291 F332 Q336E291-R334 WeakPolarHBondContact OE1-CA 3.35Å; E291-R334 VanDerWaalsContact OE2-CD 3.26Å; E291-R334 WeakPolarHBondContact OE2-CD 3.39Å; E291-R334 IonicContact OE2-CZ 2.94Å; E291-R334 IonicContact OE2-NE 3.15Å; E291-R334 IonicContact OE2-NH1 2.95Å; E291-R334 PolarHBondContact OE2-NH1 3.27Å; F332-R334 PolarHBondContact O-N 2.69Å; R334-Q336 PolarHBondContact O-N 2.9Å
335L94.4Very high69.1Low9 Ų9101.8 Ų101.85%0.04754%0.538CS..  trans-83.1110.3-174.2-65.8178.8000110.3V34 T35 E291 I292 Y295 T318 M322 I333 R337V34-L335 HydrophobicContact CB-CD2 4.2Å; V34-L335 HydrophobicContact CG2-CD2 4.11Å; T35-L335 HydrophobicContact CG2-CD2 3.9Å; E291-L335 HydrophobicContact CG-CB 4.31Å; E291-L335 HydrophobicContact CG-CD1 4.19Å; E291-L335 HydrophobicContact CG-CG 3.95Å; E291-L335 PolarHBondContact OE1-N 3.04Å; I292-L335 HydrophobicContact CG1-CD1 3.87Å; Y295-L335 HydrophobicContact CD2-CB 3.68Å; Y295-L335 HydrophobicContact CE2-CB 4.47Å; Y295-L335 HydrophobicContact CG-CB 4.03Å; Y295-L335 HydrophobicContact CG-CD1 4.05Å; T318-L335 HydrophobicContact CG2-CD1 4.14Å; T318-L335 HydrophobicContact CG2-CD2 4.34Å; M322-L335 HydrophobicContact CE-CG 4.33Å; M322-L335 HydrophobicContact SD-CD1 3.97Å; M322-L335 HydrophobicContact SD-CD2 3.88Å; M322-L335 HydrophobicContact SD-CG 4.02Å; I333-L335 HydrophobicContact CG2-CD2 4.41Å; L335-R337 PolarHBondContact O-N 3.33Å
336Q80Confident66.2Low131 Ų131106.8 Ų106.861%0.61257%0.568SS**  trans-62.696.7-179.6-70-176.8-1500111.3R334 R338R334-Q336 PolarHBondContact O-N 2.9Å; Q336-R338 PolarHBondContact O-N 3.43Å
337R67.1Low63.5Low170 Ų170111 Ų11164%0.64260%0.598SS**PPolyproline II helixtrans-56.2133.6162.4-64.2179.7-178.6151.3-0.6108.2A294 Y295 L335 S339A294-R337 VanDerWaalsContact O-CZ 3.28Å; A294-R337 PolarHBondContact O-NE 3.45Å; A294-R337 PolarHBondContact O-NH2 3.13Å; Y295-R337 HydrophobicContact CD2-CG 4.36Å; L335-R337 PolarHBondContact O-N 3.33Å; R337-S339 PolarHBondContact O-N 3.06Å; R337-S339 VanDerWaalsContact O-N 3.16Å
338R53.3Low60.7Low237 Ų237110.5 Ų110.589%0.89461%0.607SS**PPolyproline II helixtrans-57.1123.2160.8-72-175.3179.1-176.50.6106.8Q336 N340Q336-R338 PolarHBondContact O-N 3.43Å; R338-N340 PolarHBondContact O-N 2.73Å
339S42.6Very low58.3Low111 Ų111115.5 Ų115.578%0.77663%0.627SS**PPolyproline II helixtrans-57.5136.8173.241.70000109R337R337-S339 PolarHBondContact O-N 3.06Å; R337-S339 VanDerWaalsContact O-N 3.16Å
340N33.2Very low55.5Low132 Ų132119 Ų11971%0.70664%0.64SS**PPolyproline II helixtrans-54.2148.8160.7-71.1-12.6000108R338R338-N340 PolarHBondContact O-N 2.73Å
341P31.5Very low52.5Low114 Ų114120.3 Ų120.374%0.7465%0.646SS**PPolyproline II helixtrans-53.3143.9169.925-34.2000109.4
342P35.8Very low49.6Very low114 Ų114124.3 Ų124.374%0.7466%0.66SS**PPolyproline II helixtrans-57.2146.7-177.324.3-33.9000110.6S344P342-S344 PolarHBondContact O-N 3.48Å
343P34.4Very low46.2Very low124 Ų124127.9 Ų127.981%0.80569%0.685SS**PPolyproline II helixtrans-56.9141.5-177.725-34.4000110.4A345P343-A345 PolarHBondContact O-N 2.9Å
344S32.8Very low43.1Very low112 Ų112136.3 Ų136.378%0.78372%0.722SS**  trans-49.2111.6-168.4530000113.1P342 V346P342-S344 PolarHBondContact O-N 3.48Å; S344-V346 PolarHBondContact O-N 3.34Å
345A34.4Very low39.9Very low95 Ų95133.7 Ų133.779%0.78573%0.728SS**  trans-62.5122.3170.500000109.5P343 P347P343-A345 PolarHBondContact O-N 2.9Å; A345-P347 VanDerWaalsContact O-CD 3.31Å; A345-P347 WeakPolarHBondContact O-CD 3.41Å
346V30.8Very low36.6Very low119 Ų119138.9 Ų138.972%0.72176%0.763SS**  trans-67.4118.6-175.9179.60000110.4S344 S348S344-V346 PolarHBondContact O-N 3.34Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 2.85Å
347P36.3Very low34.1Very low126 Ų126143.6 Ų143.682%0.81878%0.776SS**  trans-81.874177.233.8-33.7000110.6A345 K349A345-P347 VanDerWaalsContact O-CD 3.31Å; A345-P347 WeakPolarHBondContact O-CD 3.41Å; P347-K349 VanDerWaalsContact C-N 3.31Å; P347-K349 PolarHBondContact O-N 3.4Å
348S30.4Very low32.4Very low99 Ų99144.6 Ų144.669%0.69279%0.788SS**  trans-69.980.5174.8-69.40000112V346V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 2.85Å
349K33.9Very low31.2Very low197 Ų197139.1 Ų139.186%0.85778%0.78SS**SBendtrans-160.5118.1159.1-105.9142.6-171.11780113.6P347P347-K349 VanDerWaalsContact C-N 3.31Å; P347-K349 PolarHBondContact O-N 3.4Å
350K28.5Very low30.4Very low185 Ų185145.2 Ų145.280%0.80479%0.786SS**  trans4.4109.2158.4-61-178.6177.9-176.10116.5H352K350-H352 PolarHBondContact O-N 3.23Å
351L26.6Very low30.3Very low165 Ų165145.9 Ų145.986%0.86479%0.79SS**  trans-71.696.5164.5-160.679.4000109.4T353L351-T353 PolarHBondContact O-N 3.48Å
352H30.4Very low30.1Very low153 Ų153148.8 Ų148.871%0.70879%0.793SS**  trans-74106.4168-102.8-86.6000109.1K350 F354K350-H352 PolarHBondContact O-N 3.23Å; H352-F354 PolarHBondContact O-N 2.81Å
353T23.9Very low29.8Very low115 Ų115151.7 Ų151.771%0.70680%0.795SS**  trans-66.5117.3169.749.80000110.1L351L351-T353 PolarHBondContact O-N 3.48Å
354F29Very low29.6Very low196 Ų196154.8 Ų154.886%0.8680%0.796SS**  trans-135.4134.2153.9-95-72.1000111.1H352H352-F354 PolarHBondContact O-N 2.81Å
355S28.7Very low29.5Very low103 Ų103154.3 Ų154.372%0.7279%0.792SS**  trans-72.8145.4-176.4-166.90000111R357S355-R357 PolarHBondContact O-N 3.18Å
356C24.7Very low29.3Very low118 Ų118154.4 Ų154.480%0.79779%0.793SS**  trans-59.6133.6149.7-175.90000107.8
357R28.1Very low29.4Very low231 Ų231154.9 Ų154.987%0.87280%0.802SS**  trans-119134.5162.8-96.5-171.2172.1-174.5-2108S355S355-R357 PolarHBondContact O-N 3.18Å
358Q31.5Very low29.4Very low190 Ų190153.3 Ų153.389%0.88880%0.799SS**  trans-68.5154.4169.2-71.4174.9-43.900110.5
359V26.9Very low30.1Very low123 Ų123154.1 Ų154.175%0.74580%0.802SS**  trans-58.4138173.2176.80000111
360R27.6Very low30.1Very low239 Ų239149.6 Ų149.690%0.90280%0.796SS**  trans-165.2148.8138.2-108.2161.4-165.5-174.33.5112.4
361D30.3Very low30.4Very low145 Ų145145.7 Ų145.778%0.77579%0.791SS**  trans-78.5162.5-171.8-48.2-95.9000112.9
362E27.5Very low30.8Very low175 Ų175144.2 Ų144.282%0.81879%0.79SS**  trans-79130171.5-59.3-168.7146.900111.9
363K29.6Very low31.3Very low176 Ų176142.5 Ų142.577%0.76579%0.792SS**  174162.7105.7-93.7168-176173.70113.9
364F30.5Very low31.6Very low189 Ų189144.7 Ų144.783%0.82980%0.798SS**  trans79.8110.9163.4-86.4-75.8000121.9
365S30.3Very low31.9Very low101 Ų101144 Ų14471%0.70680%0.797SS**  trans59.397.7137.1580000122.7
366A29.8Very low31.9Very low98 Ų98150.3 Ų150.381%0.8181%0.805SS**  51.8114.4114.700000122.2
367S33.1Very low32.2Very low129 Ų129147.8 Ų147.890%0.90280%0.799SS**  -177.1171.7121.538.50000111.7
368A36.1Very low32.6Very low93 Ų93143.5 Ų143.577%0.76979%0.794SS**  trans-147.1-169.1-176.100000108.4
369P44.5Very low32.6Very low115 Ų115141.3 Ų141.375%0.74779%0.788SS**  cis-141.6-142.12.244.3-22.5000114.1
370S35.2Very low32.8Very low103 Ų103141.1 Ų141.172%0.7279%0.787SS**  trans84.9120.7173.372.20000116.7
371S33.6Very low33.1Very low102 Ų102136 Ų13671%0.71378%0.782SS**  cis94.2136.535.573.10000113.2
372T35.1Very low33.5Very low135 Ų135134.5 Ų134.583%0.82878%0.78SS**  cis-167.4152.90.39.70000109.8
373P40.6Very low33.8Very low117 Ų117131.7 Ų131.776%0.7678%0.78SS**  trans-117.3152.3174.939.1-29.9000114.9
374L31.2Very low34Very low160 Ų160128 Ų12884%0.83878%0.776SS**  trans172.6129.1151.4-105162.9000114
375H34.8Very low34.2Very low181 Ų181125.5 Ų125.584%0.83878%0.776SS**  178.7-174.9113.6-110.329.6000113.9
376R29.6Very low34.6Very low236 Ų236126.9 Ų126.989%0.89178%0.782SS**  trans-154.7144.7-138.4-171.3-173-168-176.15.4115.7
377G31.4Very low34.9Very low65 Ų65126.1 Ų126.167%0.6778%0.784SS**  trans175.1135.6162.700000110.2
378N34.8Very low35Very low141 Ų141124.7 Ų124.775%0.75478%0.78SS**  cis72.9130.848.3-73.318.3000112.9
379L31.9Very low35.1Very low145 Ų145125.4 Ų125.476%0.75978%0.777SS**  cis-155.4-176.59.6-112162000113.3
380T31.8Very low34.4Very low119 Ų119127.6 Ų127.673%0.7378%0.781SS**  trans-52.5165.8-179.4480000117.5
381V33.3Very low34.2Very low131 Ų131131.8 Ų131.879%0.79479%0.789SS**  -167.816162.7173.40000110.8
382P39.9Very low33.9Very low113 Ų113132.9 Ų132.973%0.73479%0.791SS**  trans-118.9-176.2-168.543.2-33.2000119.2
383S33Very low33.6Very low117 Ų117138.3 Ų138.382%0.81880%0.797SS**  trans90.2149.3168.287.90000117.1
384S33.5Very low32.9Very low97 Ų97138.5 Ų138.568%0.67880%0.801SS**  cis-161.1-176.2049.10000113.5
385V35.9Very low32.8Very low138 Ų138134.7 Ų134.784%0.83680%0.8SS**  trans70.4156.6166.1-84.50000119.7
386P38.1Very low32.4Very low129 Ų129133.6 Ų133.684%0.83880%0.8SS**  trans-130.2172.6-131.944.9-31.2000118
387G35.1Very low32.4Very low82 Ų82129.4 Ų129.485%0.84580%0.795SS**  trans-158.3150165.500000112.3
388A36.2Very low31.9Very low99 Ų99134.1 Ų134.182%0.81880%0.801SS**  trans-139.8172.3179.400000109
389P38.2Very low31.7Very low109 Ų109135.3 Ų135.371%0.70880%0.802SS**  cis-128.4172.80.841.2-26.5000114.6
390L28.6Very low31.4Very low160 Ų160132.2 Ų132.284%0.83880%0.798SS**  trans160.299.8133.7-89.4168.4000112.4
391H31.5Very low31.2Very low191 Ų191131.4 Ų131.488%0.88480%0.803SS**  -167136125.1-122.6-71.2000111.7
392V27.8Very low31Very low125 Ų125134.4 Ų134.476%0.75881%0.806SS**  trans-97.7127.9175.6175.40000110
393R28.3Very low30.4Very low249 Ų249136.9 Ų136.994%0.9481%0.811SS**  trans-162.1103.4146.5-119.3175.1-178177.20.8112.2
394S27.1Very low30Very low121 Ų121138.8 Ų138.885%0.84681%0.812SS**  trans-83.4148.7163.6-54.30000109.6
395G28.8Very low29.6Very low80 Ų80142.1 Ų142.183%0.82582%0.817SS**  trans-157.687.2179.500000112.2
396N25.5Very low29.1Very low158 Ų158140.6 Ų140.685%0.84581%0.812SS**  trans-156100.3-178.9-157.915.9000110.8
397L29.2Very low28.5Very low148 Ų148139.8 Ų139.878%0.77581%0.81SS**  trans-173.9159.1143.9-129.169.5000113.1
398M22.6Very low28.1Very low164 Ų164141.8 Ų141.881%0.80881%0.806SS**  trans-101.1139161.8-74.3-173.7163.300110.6
399Q29.2Very low27.8Very low166 Ų166142.1 Ų142.178%0.77680%0.802SS**  trans-142.2122.3147.7-116110.912.700107
400A26.3Very low27.3Very low81 Ų81143.8 Ų143.867%0.66981%0.805SS**  67.486.484.600000111.9F402A400-F402 PolarHBondContact O-N 2.66Å
401A28.2Very low27.3Very low101 Ų101144.2 Ų144.284%0.83581%0.808SS**  trans-74.8102.1174.600000110.4
402F28Very low27Very low195 Ų195142.1 Ų142.186%0.85580%0.802SS**  trans-67.2143.6149.6-89.9-101.2000108.6A400A400-F402 PolarHBondContact O-N 2.66Å
403I26.7Very low27.1Very low165 Ų165143.5 Ų143.585%0.84680%0.804SS**  trans-94.6120.4162.6-60.7173.1000105.4
404D24.9Very low27.1Very low156 Ų156140.9 Ų140.983%0.83480%0.802SS**  trans-131155.3163.7-154.3-8.9000108.4
405E25.9Very low27.3Very low168 Ų168140 Ų14079%0.78580%0.802SS**  trans-94.9147.5-168-67.9-164.6132.600113.8
406S24.5Very low27Very low105 Ų105143.3 Ų143.373%0.73480%0.796SS**  trans67.9120.6157.669.20000119.8
407S26.5Very low27.1Very low113 Ų113143.5 Ų143.579%0.7979%0.79SS**  trans-150.295.7151.1-59.70000106
408T26Very low27.2Very low124 Ų124142.7 Ų142.776%0.76180%0.796SS**  70.2105.277.263.70000114.2
409S29.4Very low27.5Very low105 Ų105141.2 Ų141.273%0.73480%0.797SS**  trans-172137.3153.643.90000108.7
410D28.9Very low27.5Very low145 Ų145142.6 Ų142.678%0.77580%0.8SS**  cis-153.2155.5-14-86.7-46.5000108.3
411L28Very low27.6Very low169 Ų169146.8 Ų146.889%0.88581%0.81SS**  -167.9144.2129.6-104.4175.8000110.7
412L25.6Very low27.6Very low147 Ų147149 Ų14977%0.7781%0.808SS**  trans-83.2175.2173.6-55.197.3000108.9
413I29.9Very low27.8Very low154 Ų154144.9 Ų144.979%0.7980%0.804SS**  cis-154.3138.927.5-53.1162.8000108.9
414E28.1Very low27.9Very low194 Ų194141.9 Ų141.991%0.90780%0.797SS**  176.6166.6124.8-94.5-167.7167.700111.9
415A30.3Very low28.1Very low103 Ų103144.8 Ų144.885%0.85180%0.803SS**  trans-117.3172.8-148.400000116.1
416E24.5Very low28.2Very low148 Ų148141.8 Ų141.869%0.69280%0.8SS**  trans-83.6166.7-172.3-49.7177.892.900115.6
417K27.4Very low28.7Very low163 Ų163142.8 Ų142.871%0.70980%0.804SS**  trans67.1117.7146.5-71.7150.8-170.7159.80119.4
418S29.6Very low28.9Very low130 Ų130143.5 Ų143.591%0.90981%0.809SS**  trans-151.9160.2139.4-820000110.2
419T30.6Very low29.1Very low134 Ų134146.2 Ų146.282%0.82281%0.811SS**  trans-116.6149-164.746.60000114.6
420K27.9Very low29.3Very low194 Ų194148.5 Ų148.584%0.84381%0.81SS**  trans24.5125.4152.2-64.4-177.7177.1-178.60119.4
421L29.5Very low29.4Very low170 Ų170147.6 Ų147.689%0.8981%0.805SS**  -153.8172.8127.9-113.2167.5000111.4
422N27.5Very low29.6Very low146 Ų146145.8 Ų145.878%0.78179%0.794SS**  trans-106140.9-158.6-62-32.4000115.3
423S31.5Very low29.9Very low110 Ų110148.5 Ų148.577%0.76980%0.8SS**  trans-164.2104.9136.645.90000108.8
424S28.5Very low29.8Very low102 Ų102145.2 Ų145.271%0.71379%0.791SS**  73.594.371.574.20000115
425F29.9Very low30Very low216 Ų216143.1 Ų143.195%0.94779%0.792SS**  trans-154.9153134-113.6-74.7000110
426S29Very low30Very low105 Ų105146.8 Ų146.873%0.73479%0.791SS**  trans-134.7156.9-16351.70000113.8
427P35Very low30.4Very low126 Ų126147.6 Ų147.682%0.81880%0.8SS**  trans-103.9143177.637.3-31.6000113.9
428S30.9Very low30.4Very low128 Ų128149 Ų14990%0.89581%0.806SS**  trans-156176.8159.960.70000111.2
429K29.4Very low30.6Very low181 Ų181151.6 Ų151.679%0.78780%0.804SS**  trans-121.5-178.6-162-70.6-177.8176.2-178.40113.4
430H33.2Very low30.7Very low154 Ų154157.1 Ų157.171%0.71381%0.809SS**  trans84.8151.5164.3-58.3-80.5000115.4
431D31.9Very low30.8Very low126 Ų126154.3 Ų154.367%0.67481%0.809SS**  cis-174.1169.5-22.1-102.8-5.2000107.4
432I31.9Very low30.8Very low130 Ų130149.1 Ų149.167%0.66780%0.796SS**  cis-154.4162.2-5.1-129.4164.9000108.2
433F30.7Very low31.1Very low205 Ų205150.7 Ų150.790%0.89980%0.799SS**  trans-155157.2141.7-118.5-76.4000112.2
434S28.4Very low31.2Very low85 Ų85150.6 Ų150.659%0.59479%0.793SS**  trans-123.1161.7-161.666.10000114.8
435T32.2Very low31.2Very low149 Ų149155.6 Ų155.691%0.91480%0.802SS**  trans-150.9152.5136.8-5.30000110.1
436Q31.5Very low31.3Very low180 Ų180148.6 Ų148.684%0.84179%0.791SS**  trans-99.2151.7-169-61.6172-15.300111.9
437N31.7Very low31.4Very low165 Ų165152.6 Ų152.688%0.88280%0.798SS**  trans-153.1119138-131.1-32000112.4
438K28.4Very low31.1Very low192 Ų192153.4 Ų153.484%0.83579%0.794SS**  trans-155.6108.6171.6-98.4-169.1176.8-179.20108.5
439H33.3Very low31.1Very low186 Ų186156.4 Ų156.486%0.86179%0.794SS**  trans-176.9112.6143.5-93.9-44.4000111.8
440R31.6Very low31Very low249 Ų249155 Ų15594%0.9480%0.795SS**  -156.3148.8122-135.3173.6-178.1172.10.9110.4
441T30.2Very low30.6Very low135 Ų135153.6 Ų153.683%0.82880%0.802SS**  trans-137.5149.4-17541.40000110.5
442G31.1Very low30.6Very low61 Ų61153.3 Ų153.363%0.62981%0.806SS**  trans156.8105.8179.200000108
443H33.3Very low30.8Very low180 Ų180153.1 Ų153.183%0.83381%0.814SS**  80.1126.780.9-73.74.3000112.2
444T32.3Very low30.8Very low107 Ų107151.6 Ų151.666%0.65681%0.809SS**  cis-164.3146.5-1.17.90000113
445K30.3Very low30.7Very low207 Ų207155.2 Ų155.290%0.982%0.821SS**  trans61.4142.9146-68.7-177.3175.4-173.30121.8
446G30.7Very low30.4Very low69 Ų69158 Ų15871%0.71182%0.821SS**  trans109.6123.9160.800000114.3
447E31.9Very low30Very low189 Ų189159.2 Ų159.288%0.88382%0.819SS**  cis-152.9170.4-17-147.3150-134.800111.4
448I28Very low29.6Very low144 Ų144156.4 Ų156.474%0.73881%0.808SS**  trans-56.1134.3-173.7-61.7152.2000114.2
449E30.4Very low29.6Very low190 Ų190154.2 Ų154.289%0.88881%0.805SS**  -167.2168.2128.2-113.5178.9-168.100113.8
450N27.5Very low29.1Very low151 Ų151152.8 Ų152.881%0.80780%0.801SS**  trans-111.2146.8-162.3-68.2-67.4000115.4
451C24.8Very low28.9Very low126 Ų126146.1 Ų146.185%0.85179%0.788SS**  trans-162.9162.4162.2-97.90000108
452P33.2Very low29Very low119 Ų119145.9 Ų145.977%0.77379%0.789SS**  cis-117-156.8-1.545-30.4000109.8
453P34.9Very low28.8Very low126 Ų126148.5 Ų148.582%0.81879%0.792SS**  cis-128.9-160.4-0.242.9-23.3000115.3
454Q30.2Very low28.8Very low173 Ų173148 Ų14881%0.80880%0.795SS**  trans-101.4147.6-149.6-68.4175.5-33.600116.9
455L27.4Very low28.7Very low161 Ų161150.5 Ų150.584%0.84380%0.798SS**  trans71.7140.3143.4-71.8164.9000121
456F25.6Very low28.7Very low208 Ų208147.7 Ų147.791%0.91279%0.789SS**  trans-121.5179.6-179.8-104.1-89.7000111.3
457Y24.2Very low28.6Very low206 Ų206151.4 Ų151.481%0.80879%0.793SS**  trans-78.6154.9-174.3-108.4-118000115.5
458T23.2Very low28.5Very low106 Ų106148.5 Ų148.565%0.6578%0.783SS**  trans17.2139.3147.856.70000121.8
459D26.7Very low28.5Very low145 Ų145149.9 Ų149.978%0.77579%0.786SS**  -167.6167.598.4-116.8-25.6000119.7
460M24.4Very low28.5Very low156 Ų156146.9 Ų146.977%0.76879%0.786SS**  trans-18.4133.5177.6-64.1-65.4163.900125.2
461V26.6Very low28.5Very low110 Ų110151.8 Ų151.867%0.66779%0.793SS**  16.2138.1121.8-175.60000121V463V461-V463 HydrophobicContact CG1-CG2 3.85Å
462P32Very low28.6Very low129 Ų129149.1 Ų149.184%0.83879%0.787SS**  trans-116.1150.7140.636.9-29.8000114
463V27.9Very low28.2Very low117 Ų117153.5 Ų153.571%0.70979%0.794SS**  trans-120.2148.4175.5171.70000109.7V461V461-V463 HydrophobicContact CG1-CG2 3.85Å
464N32.2Very low28Very low168 Ų168155.3 Ų155.390%0.89880%0.795SS**  trans-131.9154.6166.3-132-21000111.8
465K30.8Very low27.8Very low161 Ų161152.2 Ų152.270%0.779%0.788SS**  trans-135.4143.8-157.4-101.6-176.9172.8-178.70115.9
466M29.2Very low27.7Very low148 Ų148150.6 Ų150.673%0.72978%0.78SS**  trans59.9119.1139.7-66.8171.716500121.7
467N29.7Very low27.8Very low146 Ų146149.5 Ų149.578%0.78178%0.778SS**  153.9153.4119.8-85.4-16.5000112.3
468L29.2Very low28.1Very low129 Ų129145.5 Ų145.568%0.67578%0.777SS**  cis-163.5143.8-27.3-16579.4000109
469Q28Very low28.2Very low172 Ų172144 Ų14480%0.80478%0.782SS**  trans36.7130.4155.9-73169.821.200122.6
470S31.1Very low28.2Very low128 Ų128145.6 Ų145.690%0.89579%0.79SS**  -167.8156.6110.359.90000115
471R27.6Very low28.2Very low254 Ų254143.5 Ų143.596%0.95879%0.791SS**  trans-67.1153.1-166.9-64.5157.5150.3161.2-9.1117.5
472G26.5Very low28.7Very low69 Ų69144.2 Ų144.271%0.71180%0.798SS**  131.1122.498.100000121.7
473K25.2Very low28.5Very low211 Ų211143.1 Ų143.192%0.91779%0.793SS**  trans66.8161162.8-61.7-173.8176.9-175.40114.5
474I30.3Very low28.4Very low164 Ų164149.1 Ų149.184%0.84180%0.803SS**  cis-133.2169.630.9-75.2169000111.9
475T25.5Very low28.1Very low108 Ų108144.8 Ų144.866%0.66379%0.785SS**  trans-106.5175.2-178.754.50000113.4
476D25.1Very low27.9Very low128 Ų128144.2 Ų144.268%0.68480%0.795SS**  trans63109.7157-48.8-52.1000119.8
477H29.1Very low27.7Very low185 Ų185143 Ų14386%0.85679%0.792SS**  -177.4141.498.2-101.6-76.1000112.3
478P30.8Very low27.4Very low122 Ų122140.7 Ų140.779%0.79279%0.787SS**  trans-102.3148.7174.636.8-31.9000113.7
479G24.7Very low27.3Very low74 Ų74143.3 Ų143.376%0.76380%0.796SS**  trans114.9125.6150.100000117.3
480L26.2Very low27.1Very low179 Ų179143 Ų14394%0.93780%0.799SS**  -159.6143.9122.2-106.7166.4000110.3
481S24.4Very low27Very low112 Ų112143.1 Ų143.178%0.78379%0.788SS**  trans-109.2162.5-174.7-73.30000111.4
482P37.1Very low26.8Very low125 Ų125138.1 Ų138.181%0.81278%0.78SS**  trans-96.8162.1-160.537.1-37.3000116.1
483S27.8Very low26.8Very low105 Ų105142.7 Ų142.773%0.73479%0.788SS**  trans-120136.5157.355.50000108.4
484R26.9Very low26.9Very low243 Ų243138.6 Ų138.692%0.91778%0.78SS**  56.3139.861.5-65.2-176.1175.4-169.9-0.3112.8
485S25.2Very low26.5Very low77 Ų77138.7 Ų138.754%0.53878%0.777SS.*  cis-162.4152.5-23.1-174.50000107.5D487S485-D487 PolarHBondContact OG-OD2 2.99Å
486V26.1Very low26.5Very low150 Ų150139.6 Ų139.691%0.90978%0.778SS**  trans-132.9103.9149-175.60000107.4
487D24.4Very low26.5Very low123 Ų123143.4 Ų143.466%0.65879%0.789SS**  trans-88.4142.4-173.9-97.2-76000113.2S485S485-D487 PolarHBondContact OG-OD2 2.99Å
488S24.6Very low26.2Very low96 Ų96142.8 Ų142.867%0.67179%0.785SS**  trans45.3107.6136.6-58.30000120.6
489Q26.1Very low25.9Very low184 Ų184143 Ų14386%0.8678%0.78SS**  trans-161.973.2144.3-122167.482.700116.7
490L25Very low26Very low167 Ų167143.2 Ų143.287%0.87478%0.775SS**  trans-169.288.4146-137.570.1000108.5
491I27.7Very low25.9Very low129 Ų129142.4 Ų142.466%0.66277%0.766SS**  64.593.278.6-55.8177.2000113.2
492N23.9Very low25.9Very low150 Ų150144.3 Ų144.380%0.80277%0.767SS**  trans25123.1138.6-54.2-12.1000120.3
493L27.1Very low25.4Very low165 Ų165142.7 Ų142.786%0.86476%0.758SS**  trans170.5128.5138.7-91.7162.1000107.1
494T26.6Very low25.3Very low124 Ų124144.7 Ų144.776%0.76176%0.756SS**  cis-149.4159.1-9.2-30.80000108.3
495H22.6Very low25.4Very low166 Ų166140.8 Ų140.877%0.76975%0.746SS**  trans-92.7-176.2168.4-164.6-99.3000110.8
496D26.1Very low25.4Very low128 Ų128148.4 Ų148.468%0.68476%0.763SS**  trans92.8108.8165.4-54.6-27000118.4
497F23.1Very low25.4Very low208 Ų208152.8 Ų152.891%0.91276%0.763SS**  trans-154.281.5146.3-121.8-70.9000112.3
498H23.6Very low26.2Very low171 Ų171152.6 Ų152.679%0.79277%0.768SS**  trans-151.8141.9160.7-109.749000106.4
499N25.1Very low26.4Very low128 Ų128155.4 Ų155.468%0.68477%0.774SS**  cis-159.3168.17.8-156.3-2.7000110.7
500A26Very low26.4Very low78 Ų78151.4 Ų151.465%0.64577%0.766SS**  trans66.7157.7154.300000118.3
501Q24.6Very low26.5Very low162 Ų162149.4 Ų149.476%0.75776%0.761SS**  cis-164.9154.4-26.8-118.4-168.8-21.100110.3
502L23.7Very low26.5Very low152 Ų152148.4 Ų148.480%0.79676%0.761SS**  trans64.9161.1154-62.2164.7000116.3
503S27.2Very low26.8Very low91 Ų91149 Ų14964%0.63676%0.759SS**  cis-143.9159.13.850.40000112.1
504E26Very low26.7Very low147 Ų147145.2 Ų145.269%0.68775%0.752SS**  trans45.5148.1139-66-171.5138.500122.4
505K28.2Very low26.9Very low161 Ų161145.9 Ų145.970%0.776%0.755SS**  cis-156.3-173.512.1-115.2151.4-175.1146.60106.6
506R26.4Very low27.2Very low237 Ų237143 Ų14389%0.89475%0.754SS**  cis-138.8-106.69.9-153.9171.7-173.7158.20.2111.8
507R26.5Very low27.1Very low241 Ų241145.9 Ų145.991%0.90976%0.764SS**  trans-158.1162.5-176.6-74.8-168.7178.5171.7-1.9114.5
508P40.8Very low27.4Very low119 Ų119142.9 Ų142.977%0.77376%0.757SS**  trans-109168.8174.541.6-34.4000115.3
509I28.2Very low27.6Very low156 Ų156141.7 Ų141.780%0.876%0.757SS**  trans-153.7108.9173.7-71.2-168.2000107.1
510S25.8Very low27.6Very low99 Ų99143.8 Ų143.869%0.69277%0.767SS**  58.4162.3106.877.10000117
511V27.6Very low27.6Very low126 Ų126145.5 Ų145.576%0.76477%0.774SS**  cis-149.7170.514.7-124.20000108.5
512T27.6Very low27.6Very low108 Ų108143.3 Ų143.366%0.66377%0.772SS**  cis-125.5-115.3-4.9-31.20000109.5
513E29.1Very low27.7Very low163 Ų163140.6 Ų140.676%0.76277%0.771SS**  cis-158.8140.7-15.9-128.4129.4-10800104.4
514A26.9Very low27.6Very low85 Ų85147.6 Ų147.670%0.70279%0.786SS**  70.8112.852.200000113.6
515T29.5Very low27.5Very low137 Ų137144.6 Ų144.684%0.8478%0.78SS**  cis-139.8-172.24.459.30000108.9
516S30.2Very low27.4Very low107 Ų107140.8 Ų140.875%0.74877%0.774SS**  cis-152.5-170.29.165.10000110.9
517E23.7Very low27.5Very low188 Ų188138 Ų13888%0.87978%0.776SS**  trans-112.9141.8167.5-62.7-177.1120.200110.8
518D28.8Very low27.4Very low145 Ų145131 Ų13178%0.77576%0.764SS**  trans-159.3136.3145.4-137.8-17.5000113.6
519N28.7Very low26.8Very low146 Ų146129.3 Ų129.378%0.78176%0.755SS**  trans40.7128.5163.9-75.4-60.6000124.3
520L25Very low26.8Very low171 Ų171129.6 Ų129.690%0.89575%0.753SS**  trans-58.2168.2154.9-73.5135.5000112.3
521S24.6Very low26.9Very low114 Ų114132.6 Ų132.680%0.79776%0.761SS**  trans78.263.5171.4-168.70000117.6
522T26.1Very low26.8Very low116 Ų116134.4 Ų134.471%0.71276%0.761SS**  -162.4103.9128.7-76.40000110.1
523A25.2Very low26.9Very low95 Ų95136.4 Ų136.479%0.78576%0.762SS**SBendtrans-144.13.2179.100000115
524Y23.8Very low26.9Very low239 Ų239137.5 Ų137.594%0.93777%0.767SS**SBendtrans-138.443.5-174.8-97.1-83000112.9
525S25.1Very low26.9Very low83 Ų83140.9 Ų140.958%0.5877%0.772SS**SBendtrans-147.1-14.6177.953.40000116
526S26.7Very low26.6Very low81 Ų81138.2 Ų138.257%0.56676%0.764SS**SBendtrans-94.6-5.4-169.3-158.30000115.8S528S526-S528 PolarHBondContact O-N 3.16Å
527L26.9Very low26.6Very low179 Ų179138.2 Ų138.294%0.93776%0.764SS**THydrogen-bonded Turntrans-92.110.3-174.2-105164000115.1
528S25.6Very low26.6Very low95 Ų95136.9 Ų136.966%0.66476%0.762SS**THydrogen-bonded Turntrans-114.3-2.3177.7-165.20000114.2S526S526-S528 PolarHBondContact O-N 3.16Å
529S26.9Very low26.7Very low83 Ų83138.5 Ų138.558%0.5876%0.764SS**SBendtrans-118.97-164.8-48.10000114.6
530Q29.5Very low26.8Very low162 Ų162137.4 Ų137.476%0.75777%0.768SS**SBendtrans-111.77.8179.1-74.7-177.6-34.800114
531L26.9Very low27.2Very low162 Ų162133.8 Ų133.885%0.84876%0.757SS**SBendtrans-111.910.8177.4-149.677.9000113.8
532Q26.9Very low27.8Very low163 Ų163134.5 Ų134.576%0.76276%0.759SS**SBendtrans-126.54.5-178.4-73.7-176-38.400114.1
533H28.9Very low28Very low150 Ų150132.3 Ų132.369%0.69476%0.76SS**SBendtrans-110.5-4.1-175.9-134.1-63.2000115.5I535H533-I535 VanDerWaalsContact C-N 3.29Å; H533-I535 PolarHBondContact O-N 3.12Å
534E28.8Very low28.3Very low187 Ų187134.2 Ų134.287%0.87476%0.761SS**THydrogen-bonded Turntrans-84.56.7173-78.5-167.6127.700114
535I26.3Very low28.8Very low156 Ų156129.7 Ų129.780%0.876%0.758SS**THydrogen-bonded Turntrans-95.7-8-178.9-72175.5000112.6H533H533-I535 VanDerWaalsContact C-N 3.29Å; H533-I535 PolarHBondContact O-N 3.12Å
536A25.2Very low29Very low81 Ų81128.5 Ų128.567%0.66976%0.759SS**SBendtrans-138.352.7-167.800000115.4
537S28.4Very low29.3Very low106 Ų106132.2 Ų132.274%0.74177%0.773SS**  trans-155.269166.568.30000114.7
538L25.1Very low29.6Very low161 Ų161130.1 Ų130.184%0.84376%0.762SS**  trans-131.9105.6157.5-83.7174.1000108.7
539H30.2Very low29.8Very low178 Ų178133.8 Ų133.882%0.82477%0.767SS**  trans168.1123.1131.7-91.1-63.1000111.7
540S31.5Very low30Very low123 Ų123134.2 Ų134.286%0.8677%0.769SS**  trans-150.490159.258.20000108.1
541S31.9Very low30Very low96 Ų96135.4 Ų135.467%0.67178%0.775SS**  trans-81.4175.3178.4-48.40000111.1
542P38.4Very low30.2Very low129 Ų129133.5 Ų133.584%0.83878%0.775SS**  -153.1168.989.739.2-20.9000117.2
543G29.4Very low30.2Very low70 Ų70134.5 Ų134.572%0.72278%0.78SS**  trans96.9142164.600000115.7
544V32.5Very low30.1Very low135 Ų135132.7 Ų132.782%0.81878%0.784SS**  cis-153.6134.11.9171.50000109.3
545V32.9Very low30.1Very low144 Ų144129 Ų12987%0.87378%0.779SS**  trans39137.7156.2-177.70000120
546G31.3Very low30.2Very low58 Ų58125.8 Ų125.860%0.59878%0.776SS**  cis167.3169.6-0.900000112.2
547D32.7Very low30.3Very low159 Ų159129.1 Ų129.185%0.8578%0.782SS**  trans60149.2159.3-49-3.6000121.2
548D32.1Very low30.4Very low135 Ų135132.5 Ų132.572%0.72279%0.786SS**  cis-162.2169-41.2-141.4-16000113.8
549F31.1Very low30.3Very low172 Ų172131.2 Ų131.275%0.75479%0.789SS**  trans54.5109.3160.2-86.7-91.2000126.6
550S31Very low30.2Very low91 Ų91126.3 Ų126.364%0.63679%0.787SS**  71119.3120.472.50000128.2
551Q29.1Very low29.8Very low188 Ų188127.2 Ų127.288%0.87979%0.788SS**  76144122.2-70.2-167.13.400126.9
552S30.4Very low29.5Very low122 Ų122128.2 Ų128.285%0.85380%0.795SS**  trans104.4170.3150.479.90000119.7
553Q26.3Very low28.8Very low183 Ų183127.4 Ų127.486%0.85579%0.792SS**  trans-129.3150.9-150.7-57.8172.5-22.900114.1
554S28.6Very low28.7Very low113 Ų113128.6 Ų128.679%0.7979%0.789SS**  164.9140.4120.449.50000116.6
555S26.8Very low28.5Very low108 Ų108133.5 Ų133.576%0.75579%0.793SS**  trans29.9133.4149.357.90000125.6
556A28.3Very low28.1Very low89 Ų89133.1 Ų133.174%0.73679%0.791SS**  trans66.4148.5141.300000119.7
557D29.1Very low28Very low151 Ų151135.8 Ų135.881%0.80780%0.798SS**  cis-153.1173.91-125.7-31.7000113.3
558E29Very low27.6Very low177 Ų177137.5 Ų137.583%0.82780%0.801SS**  trans46115163.1-62.7-155.3127.900124.6
559C24.6Very low27.5Very low134 Ų134136.7 Ų136.791%0.90580%0.8SS**  47.8101.8127.7-151.20000121.9
560G27.1Very low27.2Very low76 Ų76134.4 Ų134.478%0.78481%0.805SS**  trans-167.4128.1163.900000114.1S562G560-S562 PolarHBondContact O-N 3.26Å
561T23.9Very low27.1Very low141 Ų141132.8 Ų132.887%0.86580%0.803SS**  trans-72.3122.2-173.850.90000114.3
562S25.4Very low27Very low117 Ų117134 Ų13482%0.81880%0.8SS**  168.4158.3121.153.50000115G560G560-S562 PolarHBondContact O-N 3.26Å
563S24Very low27.1Very low112 Ų112139.2 Ų139.278%0.78380%0.801SS**  trans-17.3126.3165.8159.50000118.6
564S26Very low27.3Very low95 Ų95137 Ų13766%0.66480%0.795SS**  -174.2154.7103.156.70000116.5
565R27.7Very low27.5Very low239 Ų239138.9 Ų138.990%0.90279%0.789SS**  trans51.899.9143.4-68.7166.1-176.4-177.6-0120.4
566V26.3Very low27.7Very low135 Ų135135.8 Ų135.882%0.81878%0.775SS**  trans-80.7148.2142.1177.10000108.6
567P27.6Very low27.9Very low115 Ų115141.7 Ų141.775%0.74778%0.778SS**  trans-66.3147.7-168.8-24.135.5000116.3V569P567-V569 PolarHBondContact O-N 2.96Å
568E25Very low27.9Very low195 Ų195139.4 Ų139.491%0.91177%0.765SS**  trans-76.1102175.1-69.3-170.2107.700112.3S570E568-S570 PolarHBondContact O-N 3.19Å
569V29.1Very low28.1Very low118 Ų118140.1 Ų140.172%0.71576%0.76SS**  trans-83.1103.3168.2-178.70000109.7P567 G571P567-V569 PolarHBondContact O-N 2.96Å; V569-G571 PolarHBondContact O-N 3.15Å
570S26.5Very low28.4Very low123 Ų123142.1 Ų142.186%0.8675%0.754SS**THydrogen-bonded Turntrans-73.123.7-170.752.90000116.4E568E568-S570 PolarHBondContact O-N 3.19Å
571G27.5Very low28.7Very low58 Ų58142.2 Ų142.260%0.59875%0.747SS**THydrogen-bonded Turntrans-84.4-9.218000000116.2V569 R573V569-G571 PolarHBondContact O-N 3.15Å; G571-R573 PolarHBondContact O-N 3.4Å
572W28Very low29Very low213 Ų213142.1 Ų142.181%0.80774%0.741SS**THydrogen-bonded Turntrans-85.17.2-160-8024.3000117.2
573R31.7Very low29.3Very low232 Ų232139.4 Ų139.488%0.87572%0.719SS**THydrogen-bonded Turntrans-74.3-27.2-176.9-66.7-169.8179.6-162.10.5114.6G571G571-R573 PolarHBondContact O-N 3.4Å
574N31.4Very low29.8Very low137 Ų137136.2 Ų136.273%0.73370%0.696SS**THydrogen-bonded Turntrans-83.9-29.2-178.2-76-14.2000114.3G576 R577N574-G576 PolarHBondContact O-N 2.91Å; N574-G576 VanDerWaalsContact O-N 3.17Å; N574-R577 PolarHBondContact O-N 2.8Å
575F32.6Very low30.5Very low151 Ų151142 Ų14266%0.66271%0.709SS**Hα-helixtrans-61.4-25.2175.6-106.6-87.3000113.2R577 L578 R579F575-R577 PolarHBondContact O-N 3.44Å; F575-L578 PolarHBondContact O-N 2.97Å; F575-R579 WeakPolarHBondContact O-CB 3.38Å; F575-R579 PolarHBondContact O-N 2.8Å
576G30.5Very low31.1Very low44 Ų44133 Ų13345%0.45468%0.679SS.*Hα-helixtrans-60.5-27.9177.700000114.7N574N574-G576 PolarHBondContact O-N 2.91Å; N574-G576 VanDerWaalsContact O-N 3.17Å
577R32.4Very low31.6Very low212 Ų212128.2 Ų128.280%0.865%0.65SS**Hα-helixtrans-78.8-43.7174.9-70-173.4178.2-171.80.4111.8N574 F575 K580 A581N574-R577 PolarHBondContact O-N 2.8Å; F575-R577 PolarHBondContact O-N 3.44Å; R577-K580 PolarHBondContact O-N 3.4Å; R577-A581 PolarHBondContact O-N 2.71Å
578L30.7Very low32.2Very low104 Ų104126 Ų12655%0.54563%0.634SS.*Hα-helixtrans-66.5-38.6178.3-137.976.4000112F575 K580 A581 L582F575-L578 PolarHBondContact O-N 2.97Å; L578-K580 VanDerWaalsContact C-N 3.32Å; L578-K580 PolarHBondContact O-N 2.87Å; L578-A581 WeakPolarHBondContact O-CB 3.44Å; L578-A581 PolarHBondContact O-N 2.95Å; L578-L582 PolarHBondContact O-N 3.37Å; L578-L582 VanDerWaalsContact O-N 3.09Å
579R31.3Very low32.8Very low191 Ų191123.1 Ų123.172%0.72163%0.632SS**Hα-helixtrans-60.9-39.6176.6-150.1172.9-167.8177.82.8111.6F575 A581 L582 T583F575-R579 WeakPolarHBondContact O-CB 3.38Å; F575-R579 PolarHBondContact O-N 2.8Å; R579-A581 VanDerWaalsContact C-N 3.31Å; R579-A581 PolarHBondContact O-N 2.82Å; R579-L582 PolarHBondContact O-N 2.85Å; R579-T583 WeakPolarHBondContact O-CG2 3.46Å; R579-T583 PolarHBondContact O-N 2.91Å; R579-T583 PolarHBondContact O-OG1 2.9Å; R579-T583 VanDerWaalsContact O-OG1 3.14Å
580K32.5Very low33.5Very low176 Ų176122.5 Ų122.577%0.76563%0.625SS**Hα-helixtrans-67.4-23.2173-90.9-173.6172.7-178.40114.5R577 L578 T583R577-K580 PolarHBondContact O-N 3.4Å; L578-K580 VanDerWaalsContact C-N 3.32Å; L578-K580 PolarHBondContact O-N 2.87Å; K580-T583 PolarHBondContact O-OG1 3.15Å
581A32.9Very low34.5Very low78 Ų78118.3 Ų118.365%0.64560%0.602SS**Hα-helixtrans-83.7-27.117600000112.8R577 L578 R579R577-A581 PolarHBondContact O-N 2.71Å; L578-A581 WeakPolarHBondContact O-CB 3.44Å; L578-A581 PolarHBondContact O-N 2.95Å; R579-A581 VanDerWaalsContact C-N 3.31Å; R579-A581 PolarHBondContact O-N 2.82Å
582L30.5Very low35.4Very low139 Ų139123.8 Ų123.873%0.72860%0.604SS**Hα-helixtrans-103.3-14.7-176.2-65.3173.5000114.3L578 R579 P584L578-L582 PolarHBondContact O-N 3.37Å; L578-L582 VanDerWaalsContact O-N 3.09Å; R579-L582 PolarHBondContact O-N 2.85Å; L582-P584 WeakPolarHBondContact O-CD 3.24Å
583T32Very low36.7Very low60 Ų60114.8 Ų114.837%0.36857%0.572SS.*SBendtrans-64.6124.5162.844.40000110.1R579 K580R579-T583 WeakPolarHBondContact O-CG2 3.46Å; R579-T583 PolarHBondContact O-N 2.91Å; R579-T583 PolarHBondContact O-OG1 2.9Å; R579-T583 VanDerWaalsContact O-OG1 3.14Å; K580-T583 PolarHBondContact O-OG1 3.15Å
584P34.5Very low37.8Very low46 Ų46106 Ų10630%0.29954%0.543SS..  trans-57.2144.2169.1-20.631.9000110.2L582 N586 V587L582-P584 WeakPolarHBondContact O-CD 3.24Å; P584-N586 PolarHBondContact O-N 2.84Å; P584-V587 HydrophobicContact CB-CG2 4.11Å; P584-V587 HydrophobicContact CG-CG2 4.08Å; P584-V587 PolarHBondContact O-N 2.89Å; P584-V587 VanDerWaalsContact O-N 3.07Å
585K40.8Very low38.9Very low215 Ų215102.3 Ų102.394%0.93553%0.526SS*.THydrogen-bonded Turntrans-61.93-178.6-66.2-173.4177.1-178.10115.3
586N39.9Very low39.8Very low50 Ų50102.2 Ų102.227%0.26753%0.532SS..THydrogen-bonded Turntrans-123.318.5-178.7-56.9-0.2000112.5P584 V594P584-N586 PolarHBondContact O-N 2.84Å; N586-V594 HydrophobicContact CB-CB 4.47Å; N586-V594 WeakPolarHBondContact O-CB 3.2Å; N586-V594 WeakPolarHBondContact O-CG2 3.4Å
587V36.8Very low41.4Very low35 Ų35108.9 Ų108.921%0.21254%0.544CS..BIsolated β-bridgetrans-124.5120.3179.4179.10000110P584 L636P584-V587 HydrophobicContact CB-CG2 4.11Å; P584-V587 HydrophobicContact CG-CG2 4.08Å; P584-V587 PolarHBondContact O-N 2.89Å; P584-V587 VanDerWaalsContact O-N 3.07Å; V587-L636 HydrophobicContact CG1-CD1 4.5Å
588V39Very low43.7Very low69 Ų6999.5 Ų99.542%0.41851%0.509SS..  trans-75.1145.8172.1-1740000108.6D590 G591 V594V588-D590 HydrophobicContact CG1-CB 4.39Å; V588-D590 PolarHBondContact O-N 2.87Å; V588-G591 PolarHBondContact O-N 2.97Å; V588-V594 HydrophobicContact CG2-CG2 3.9Å
589P38.3Very low46.2Very low134 Ų134102.6 Ų102.687%0.8751%0.514SS*.THydrogen-bonded Turntrans-55.6-20.3179.5-29.136.9000115.7G591P589-G591 VanDerWaalsContact C-N 3.26Å; P589-G591 PolarHBondContact O-N 3.22Å
590D44Very low48.6Very low105 Ų10599.7 Ų99.756%0.56151%0.506SS*.THydrogen-bonded Turntrans-83.212.8176.7-159.548.8000113.6V588 R592V588-D590 HydrophobicContact CG1-CB 4.39Å; V588-D590 PolarHBondContact O-N 2.87Å; D590-R592 PolarHBondContact O-N 3.01Å; D590-R592 IonicContact OD2-CZ 3.53Å; D590-R592 VanDerWaalsContact OD2-CZ 3.3Å; D590-R592 IonicContact OD2-NE 2.65Å; D590-R592 PolarHBondContact OD2-NE 2.72Å; D590-R592 IonicContact OD2-NH2 3.71Å; D590-R592 PolarHBondContact OD2-NH2 2.83Å
591G47.6Very low50.7Low36 Ų3692.1 Ų92.137%0.37148%0.475SS..  trans75-15.517500000116.6V588 P589V588-G591 PolarHBondContact O-N 2.97Å; P589-G591 VanDerWaalsContact C-N 3.26Å; P589-G591 PolarHBondContact O-N 3.22Å
592R47.2Very low52.3Low173 Ų17399 Ų9965%0.65349%0.485SS*.  trans-62.2136-178-53.9-173.7-160.8-145.4-1.1112.6D590 V594D590-R592 PolarHBondContact O-N 3.01Å; D590-R592 IonicContact OD2-CZ 3.53Å; D590-R592 VanDerWaalsContact OD2-CZ 3.3Å; D590-R592 IonicContact OD2-NE 2.65Å; D590-R592 PolarHBondContact OD2-NE 2.72Å; D590-R592 IonicContact OD2-NH2 3.71Å; D590-R592 PolarHBondContact OD2-NH2 2.83Å; R592-V594 PolarHBondContact O-N 2.84Å
593L54.8Low54.1Low24 Ų2499.6 Ų99.613%0.12648%0.483CS..BIsolated β-bridgetrans-64.8127.1176.8-171.699.6000111.4V595 L598 P616 F620 L660L593-V595 HydrophobicContact CD2-CG2 4.36Å; L593-V595 PolarHBondContact O-N 3.42Å; L593-V595 VanDerWaalsContact O-N 3.08Å; L593-L598 HydrophobicContact CD2-CD2 4.27Å; L593-P616 HydrophobicContact CD2-CB 3.8Å; L593-F620 HydrophobicContact CB-CD1 4.39Å; L593-F620 HydrophobicContact CB-CG 4.34Å; L593-F620 HydrophobicContact CD1-CB 4.33Å; L593-F620 HydrophobicContact CD1-CD2 3.51Å; L593-F620 HydrophobicContact CD1-CE2 3.81Å; L593-F620 HydrophobicContact CD1-CG 3.89Å; L593-F620 HydrophobicContact CD1-CZ 4.44Å; L593-L660 HydrophobicContact CD2-CD2 4.49Å
594V54.3Low55.9Low46 Ų4697.8 Ų97.828%0.27947%0.471SS..  trans-76.396.8168.9178.60000109.3N586 V588 R592 D596N586-V594 HydrophobicContact CB-CB 4.47Å; N586-V594 WeakPolarHBondContact O-CB 3.2Å; N586-V594 WeakPolarHBondContact O-CG2 3.4Å; V588-V594 HydrophobicContact CG2-CG2 3.9Å; R592-V594 PolarHBondContact O-N 2.84Å; V594-D596 VanDerWaalsContact C-N 3.32Å; V594-D596 PolarHBondContact O-N 3.06Å
595V53.9Low57.5Low60 Ų60102 Ų10236%0.36449%0.491SS..G310 helixtrans-59.9-34.7-170.8178.60000113.8L593 R597 P616L593-V595 HydrophobicContact CD2-CG2 4.36Å; L593-V595 PolarHBondContact O-N 3.42Å; L593-V595 VanDerWaalsContact O-N 3.08Å; V595-R597 PolarHBondContact O-N 2.87Å; V595-P616 HydrophobicContact CG1-CB 4.23Å; V595-P616 HydrophobicContact CG1-CG 3.93Å; V595-P616 HydrophobicContact CG2-CB 4.35Å
596D52.7Low59.2Low150 Ų15096.6 Ų96.680%0.80247%0.472SS*.G310 helixtrans-61.4-7.8-167.1-72.4-25.6000116.7V594V594-D596 VanDerWaalsContact C-N 3.32Å; V594-D596 PolarHBondContact O-N 3.06Å
597R64Low61.4Low184 Ų18495.1 Ų95.169%0.69447%0.465SS*.G310 helixtrans-133.426.5-172.3-60.6-169.1-178-157.8-0.2115.6V595 R599V595-R597 PolarHBondContact O-N 2.87Å; R597-R599 PolarHBondContact O-N 2.89Å
598L80.1Confident63.8Low14 Ų1495.2 Ų95.27%0.07346%0.464CS..PPolyproline II helixtrans-55.9131164.4-67.7-166.2000110.6L593 P616 L660 Y662 L727L593-L598 HydrophobicContact CD2-CD2 4.27Å; L598-P616 HydrophobicContact CD1-CB 4.07Å; L598-P616 HydrophobicContact CD1-CG 4.09Å; L598-L660 HydrophobicContact CD1-CB 4.37Å; L598-L660 HydrophobicContact CD2-CB 3.82Å; L598-Y662 HydrophobicContact CB-CD2 3.57Å; L598-Y662 HydrophobicContact CB-CE2 3.69Å; L598-Y662 HydrophobicContact CB-CG 4.37Å; L598-Y662 HydrophobicContact CD1-CD2 4.24Å; L598-Y662 HydrophobicContact CD1-CE1 4.39Å; L598-Y662 HydrophobicContact CD1-CE2 3.96Å; L598-Y662 HydrophobicContact CG-CD2 4.45Å; L598-Y662 HydrophobicContact CG-CE2 4.18Å; L598-L727 HydrophobicContact CD1-CD2 4.32Å
599R82.8Confident66.2Low169 Ų16993.2 Ų93.264%0.63845%0.451SS*.EExtended strand (participates in β ladder)trans-71138.3178.9-73.6172.4168.4158.5-7.9110.8R597 E659 V661 Y662R597-R599 PolarHBondContact O-N 2.89Å; R599-E659 WeakPolarHBondContact CD-OE1 3.24Å; R599-E659 IonicContact CZ-OE1 2.68Å; R599-E659 IonicContact NE-OE1 2.71Å; R599-E659 IonicContact NH1-OE1 3.77Å; R599-E659 PolarHBondContact NH1-OE1 2.9Å; R599-V661 WeakPolarHBondContact O-CA 3.48Å; R599-V661 WeakPolarHBondContact O-CB 3.43Å; R599-Y662 PolarHBondContact O-N 3.4Å
600K81.4Confident68.5Low130 Ų13086.9 Ų86.957%0.56541%0.41SS*.EExtended strand (participates in β ladder)trans-77.3128.7165-68.1-171.5179.6-173.10109.8Y662 D721 R725K600-Y662 CarbonylContact C-O 3.53Å; K600-Y662 VanDerWaalsContact CA-O 3.31Å; K600-Y662 WeakPolarHBondContact CA-O 3.37Å; K600-D721 IonicContact NZ-OD2 2.66Å; K600-R725 VanDerWaalsContact CE-CZ 3.42Å
601T76.4Confident70.5Confident18 Ų1885.7 Ų85.711%0.1140%0.397CS..EExtended strand (participates in β ladder)trans-106.6148.4165.5-174.70000111.4H603 V607 V661 Y662 V663T601-H603 PolarHBondContact OG1-N 3.06Å; T601-H603 PolarHBondContact OG1-O 3.47Å; T601-V607 HydrophobicContact CG2-CG2 4.4Å; T601-V661 HydrophobicContact CG2-CB 4.18Å; T601-V661 HydrophobicContact CG2-CG2 3.83Å; T601-Y662 PolarHBondContact N-O 3.06Å; T601-V663 HydrophobicContact CG2-CG2 4Å
602R67Low72.1Confident223 Ų22390 Ų9084%0.84241%0.412SS*.  trans-107.3-12.5165.1-66.1-176.4179.4179.1-0.1112.6
603H68Low73.9Confident150 Ų15086.6 Ų86.669%0.69441%0.407SS*.  trans-94.1128.4177.6-55.5-86.7000108.6T601T601-H603 PolarHBondContact OG1-N 3.06Å; T601-H603 PolarHBondContact OG1-O 3.47Å
604L69.7Low75.4Confident23 Ų2386 Ų8612%0.1240%0.404CS..  trans-106.2-10.1-174.1-77163.7000113.6N606 V607 I609 V663 A667 V668 S671L604-N606 PolarHBondContact O-N 3.24Å; L604-V607 PolarHBondContact O-N 3Å; L604-V607 VanDerWaalsContact O-N 3.09Å; L604-I609 HydrophobicContact CD2-CD1 4.05Å; L604-V663 HydrophobicContact CD2-CG1 3.51Å; L604-A667 VanDerWaalsContact CD1-C 3.49Å; L604-A667 HydrophobicContact CD1-CB 4.19Å; L604-A667 WeakPolarHBondContact CD1-O 3.35Å; L604-V668 HydrophobicContact CD2-CG2 4.14Å; L604-S671 VanDerWaalsContact CD1-CB 3.47Å
605N68.9Low77.1Confident135 Ų13586.3 Ų86.372%0.72241%0.408SS*.THydrogen-bonded Turntrans-58.5128.8172.3-61.523.8000108.2V607N605-V607 VanDerWaalsContact C-N 3.26Å; N605-V607 PolarHBondContact O-N 3.35Å
606N77.3Confident78.7Confident100 Ų10084 Ų8454%0.53539%0.394SS..THydrogen-bonded Turntrans59.528.7-176.6-51.6-15.1000114.7L604 M731L604-N606 PolarHBondContact O-N 3.24Å; N606-M731 WeakPolarHBondContact CB-O 3.47Å; N606-M731 PolarHBondContact O-N 3.31Å
607V85.4Confident80.4Confident19 Ų1977.8 Ų77.812%0.11537%0.365CS..EExtended strand (participates in β ladder)trans-110.1117.7169.5-174.60000109.8T601 L604 N605 I609 V661 V663 I729 K730T601-V607 HydrophobicContact CG2-CG2 4.4Å; L604-V607 PolarHBondContact O-N 3Å; L604-V607 VanDerWaalsContact O-N 3.09Å; N605-V607 VanDerWaalsContact C-N 3.26Å; N605-V607 PolarHBondContact O-N 3.35Å; V607-I609 HydrophobicContact CG1-CD1 4.34Å; V607-V661 HydrophobicContact CG1-CG2 4.21Å; V607-V663 HydrophobicContact CG1-CG2 4.06Å; V607-I729 WeakPolarHBondContact CA-O 3.5Å; V607-K730 HydrophobicContact CG2-CB 4.14Å; V607-K730 HydrophobicContact CG2-CG 4.18Å
608L87.1Confident81.7Confident37 Ų3773.2 Ų73.219%0.19435%0.352CS..EExtended strand (participates in β ladder)trans-78.6131.1164.3177.266.3000108.3G728 I729 M731 L749 R755L608-G728 CarbonylContact O-C 3.46Å; L608-G728 WeakPolarHBondContact O-CA 3.41Å; L608-I729 PolarHBondContact N-O 3.07Å; L608-I729 PolarHBondContact O-N 2.71Å; L608-M731 HydrophobicContact CB-CE 4.15Å; L608-L749 HydrophobicContact CB-CD1 4.46Å; L608-L749 HydrophobicContact CD2-CB 3.99Å; L608-L749 HydrophobicContact CD2-CD1 3.81Å; L608-L749 HydrophobicContact CD2-CD2 4.22Å; L608-L749 HydrophobicContact CD2-CG 4.22Å; L608-R755 HydrophobicContact CD1-CG 4.27Å; L608-R755 HydrophobicContact CD2-CG 4.18Å
609I88.8Confident82.2Confident27 Ų2772.6 Ų72.614%0.13835%0.349CS..EExtended strand (participates in β ladder)trans-82130.2170.2-56.4-56.9000108.8L604 V607 V663 V668 M726L604-I609 HydrophobicContact CD2-CD1 4.05Å; V607-I609 HydrophobicContact CG1-CD1 4.34Å; I609-V663 HydrophobicContact CD1-CB 4.35Å; I609-V663 HydrophobicContact CD1-CG1 4.04Å; I609-V663 HydrophobicContact CD1-CG2 4.14Å; I609-V668 HydrophobicContact CD1-CG2 3.78Å; I609-V668 HydrophobicContact CG1-CG1 4.39Å; I609-V668 HydrophobicContact CG1-CG2 4.27Å; I609-M726 HydrophobicContact CG2-CE 3.55Å; I609-M726 HydrophobicContact CG2-SD 4.25Å
610V87.8Confident82.6Confident1 Ų165 Ų651%0.00632%0.32CS..BIsolated β-bridgetrans-89.8145.4-178.6-174.60000109.7L614 V619 L727 I729 L754V610-L614 HydrophobicContact CG1-CD1 4.15Å; V610-V619 HydrophobicContact CG1-CG1 4.49Å; V610-V619 HydrophobicContact CG1-CG2 3.73Å; V610-V619 HydrophobicContact CG2-CG1 4.38Å; V610-L727 HydrophobicContact CB-CB 4.08Å; V610-L727 HydrophobicContact CG2-CB 4.37Å; V610-L727 PolarHBondContact N-O 3.42Å; V610-I729 HydrophobicContact CG2-CD1 3.52Å; V610-I729 HydrophobicContact CG2-CG1 3.72Å; V610-L754 WeakPolarHBondContact CA-O 3.48Å; V610-L754 HydrophobicContact CG1-CB 4.44Å; V610-L754 HydrophobicContact CG1-CD2 4.17Å; V610-L754 WeakPolarHBondContact CG1-O 3.38Å
611R85.1Confident83.1Confident80 Ų8063.3 Ų63.330%0.30232%0.317SS..PPolyproline II helixtrans-56.9139.1173.457.1-173.9-17699.4-4.7112.5D613 L614 G753 L754R611-D613 VanDerWaalsContact C-N 3.26Å; R611-D613 WeakPolarHBondContact CG-OD1 3.49Å; R611-D613 IonicContact CZ-OD1 2.93Å; R611-D613 IonicContact CZ-OD2 3.68Å; R611-D613 IonicContact NE-OD1 2.76Å; R611-D613 IonicContact NH1-OD1 3.3Å; R611-D613 PolarHBondContact NH1-OD1 3.36Å; R611-D613 IonicContact NH1-OD2 3.93Å; R611-D613 PolarHBondContact NH1-OD2 2.89Å; R611-D613 PolarHBondContact O-N 2.86Å; R611-L614 HydrophobicContact CG-CD1 3.84Å; R611-L614 HydrophobicContact CG-CG 4.16Å; R611-L614 PolarHBondContact O-N 2.82Å; R611-G753 PolarHBondContact NE-O 3.48Å; R611-G753 PolarHBondContact NH2-O 3.07Å; R611-L754 PolarHBondContact N-O 3.28Å; R611-L754 VanDerWaalsContact N-O 3.15Å
612N81.8Confident83.9Confident126 Ų12665 Ų6567%0.67432%0.324SS*.THydrogen-bonded Turntrans-72.6-9.4-163.7-67.2-43.1000115.1M726N612-M726 WeakPolarHBondContact OD1-CE 3.39Å
613D85.5Confident85.2Confident103 Ų10354.4 Ų54.455%0.55128%0.284SS*.THydrogen-bonded Turntrans-83.8-9.6-178.770.1-69000114R611R611-D613 VanDerWaalsContact C-N 3.26Å; R611-D613 WeakPolarHBondContact CG-OD1 3.49Å; R611-D613 IonicContact CZ-OD1 2.93Å; R611-D613 IonicContact CZ-OD2 3.68Å; R611-D613 IonicContact NE-OD1 2.76Å; R611-D613 IonicContact NH1-OD1 3.3Å; R611-D613 PolarHBondContact NH1-OD1 3.36Å; R611-D613 IonicContact NH1-OD2 3.93Å; R611-D613 PolarHBondContact NH1-OD2 2.89Å; R611-D613 PolarHBondContact O-N 2.86Å
614L86.3Confident86.4Confident11 Ų1148.2 Ų48.26%0.05826%0.257CS..  trans-98.3127.1-175.9-61.4176.4000112.9V610 R611 Q618 V619 Q622 L754V610-L614 HydrophobicContact CG1-CD1 4.15Å; R611-L614 HydrophobicContact CG-CD1 3.84Å; R611-L614 HydrophobicContact CG-CG 4.16Å; R611-L614 PolarHBondContact O-N 2.82Å; L614-Q618 HydrophobicContact CD2-CB 4.19Å; L614-V619 HydrophobicContact CB-CG2 3.63Å; L614-V619 HydrophobicContact CD1-CG2 4.18Å; L614-Q622 VanDerWaalsContact CD1-OE1 3.24Å; L614-L754 HydrophobicContact CD1-CD2 3.61Å
615S88.7Confident87.5Confident52 Ų5249.7 Ų49.736%0.36427%0.272SS..  trans-70.8156.6168.970.60000112.1G617 Q618 V619S615-G617 PolarHBondContact O-N 3.4Å; S615-Q618 VanDerWaalsContact CB-OE1 3.24Å; S615-Q618 PolarHBondContact O-N 2.73Å; S615-Q618 PolarHBondContact OG-N 3.49Å; S615-Q618 PolarHBondContact OG-OE1 3.31Å; S615-V619 WeakPolarHBondContact O-CG2 3.35Å; S615-V619 PolarHBondContact O-N 2.85Å
616P88.2Confident88.7Confident13 Ų1343.4 Ų43.48%0.08424%0.239CC..Hα-helixtrans-51.4-31.3175.5-2934.6000115.4L593 V595 L598 F620 L660 L727L593-P616 HydrophobicContact CD2-CB 3.8Å; V595-P616 HydrophobicContact CG1-CB 4.23Å; V595-P616 HydrophobicContact CG1-CG 3.93Å; V595-P616 HydrophobicContact CG2-CB 4.35Å; L598-P616 HydrophobicContact CD1-CB 4.07Å; L598-P616 HydrophobicContact CD1-CG 4.09Å; P616-F620 WeakPolarHBondContact O-CB 3.45Å; P616-F620 PolarHBondContact O-N 3.13Å; P616-L660 WeakPolarHBondContact O-CD2 3.37Å; P616-L727 HydrophobicContact CB-CD2 4.13Å; P616-L727 HydrophobicContact CG-CD1 4.07Å; P616-L727 HydrophobicContact CG-CD2 3.94Å; P616-L727 HydrophobicContact CG-CG 4.48Å
617G88.3Confident89.5Confident19 Ų1938.6 Ų38.620%0.19621%0.213CC..Hα-helixtrans-66.9-55.8173.800000111.6S615 V619 F620 D621S615-G617 PolarHBondContact O-N 3.4Å; G617-V619 VanDerWaalsContact C-N 3.28Å; G617-V619 PolarHBondContact O-N 3.42Å; G617-F620 WeakPolarHBondContact O-CA 3.26Å; G617-F620 WeakPolarHBondContact O-CB 3.41Å; G617-F620 PolarHBondContact O-N 3.02Å; G617-D621 VanDerWaalsContact O-CG 3.29Å; G617-D621 PolarHBondContact O-N 3.11Å
618Q90.7Very high89.8Confident88 Ų8844.4 Ų44.441%0.41124%0.237SC..Hα-helixtrans-56.6-40179.5-69.1159.7-74.100112.6L614 S615 D621 Q622L614-Q618 HydrophobicContact CD2-CB 4.19Å; S615-Q618 VanDerWaalsContact CB-OE1 3.24Å; S615-Q618 PolarHBondContact O-N 2.73Å; S615-Q618 PolarHBondContact OG-N 3.49Å; S615-Q618 PolarHBondContact OG-OE1 3.31Å; Q618-D621 PolarHBondContact O-N 3.34Å; Q618-Q622 WeakPolarHBondContact O-CB 3.33Å; Q618-Q622 VanDerWaalsContact O-CG 3.23Å; Q618-Q622 WeakPolarHBondContact O-CG 3.17Å; Q618-Q622 PolarHBondContact O-N 3.37Å
619V91.2Very high90Very high0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-61.7-46.5175.1176.70000111.3V610 L614 S615 G617 Q622 I623 L660 L727 I729 L754V610-V619 HydrophobicContact CG1-CG1 4.49Å; V610-V619 HydrophobicContact CG1-CG2 3.73Å; V610-V619 HydrophobicContact CG2-CG1 4.38Å; L614-V619 HydrophobicContact CB-CG2 3.63Å; L614-V619 HydrophobicContact CD1-CG2 4.18Å; S615-V619 WeakPolarHBondContact O-CG2 3.35Å; S615-V619 PolarHBondContact O-N 2.85Å; G617-V619 VanDerWaalsContact C-N 3.28Å; G617-V619 PolarHBondContact O-N 3.42Å; V619-Q622 PolarHBondContact O-N 2.73Å; V619-I623 HydrophobicContact CG1-CD1 4.17Å; V619-I623 VanDerWaalsContact O-CG1 3.32Å; V619-I623 WeakPolarHBondContact O-CG1 3.28Å; V619-I623 PolarHBondContact O-N 3.42Å; V619-L660 HydrophobicContact CB-CD2 4.16Å; V619-L660 HydrophobicContact CG1-CD2 3.96Å; V619-L660 HydrophobicContact CG1-CG 4.19Å; V619-L727 HydrophobicContact CG2-CD2 4.15Å; V619-I729 HydrophobicContact CG1-CD1 4.05Å; V619-I729 HydrophobicContact CG1-CG1 4.26Å; V619-L754 HydrophobicContact CB-CD2 4.33Å; V619-L754 HydrophobicContact CG1-CD1 4.4Å; V619-L754 HydrophobicContact CG1-CD2 4.04Å; V619-L754 HydrophobicContact CG2-CD2 4.23Å
620F91.6Very high90Very high11 Ų1149.7 Ų49.75%0.04826%0.26CS..Hα-helixtrans-65.9-39.4178.6-176.5-93.7000112.1L593 P616 G617 T624 L636 F641 L660L593-F620 HydrophobicContact CB-CD1 4.39Å; L593-F620 HydrophobicContact CB-CG 4.34Å; L593-F620 HydrophobicContact CD1-CB 4.33Å; L593-F620 HydrophobicContact CD1-CD2 3.51Å; L593-F620 HydrophobicContact CD1-CE2 3.81Å; L593-F620 HydrophobicContact CD1-CG 3.89Å; L593-F620 HydrophobicContact CD1-CZ 4.44Å; P616-F620 WeakPolarHBondContact O-CB 3.45Å; P616-F620 PolarHBondContact O-N 3.13Å; G617-F620 WeakPolarHBondContact O-CA 3.26Å; G617-F620 WeakPolarHBondContact O-CB 3.41Å; G617-F620 PolarHBondContact O-N 3.02Å; F620-T624 VanDerWaalsContact O-CB 3.31Å; F620-T624 WeakPolarHBondContact O-CB 3.18Å; F620-T624 PolarHBondContact O-N 2.91Å; F620-T624 PolarHBondContact O-OG1 3.43Å; F620-L636 HydrophobicContact CE2-CD2 4.24Å; F620-L636 HydrophobicContact CZ-CD1 4.11Å; F620-L636 HydrophobicContact CZ-CD2 3.68Å; F620-F641 HydrophobicContact CD1-CZ 4.2Å; F620-F641 HydrophobicContact CD2-CE1 4.21Å; F620-F641 AromaticContact CD2-CE2 3.53Å; F620-F641 HydrophobicContact CD2-CE2 3.53Å; F620-F641 AromaticContact CD2-CZ 3.27Å; F620-F641 HydrophobicContact CD2-CZ 3.27Å; F620-F641 HydrophobicContact CE1-CE1 4.44Å; F620-F641 HydrophobicContact CE1-CZ 4.2Å; F620-F641 AromaticContact CE2-CE1 3.75Å; F620-F641 HydrophobicContact CE2-CE1 3.75Å; F620-F641 AromaticContact CE2-CE2 3.71Å; F620-F641 HydrophobicContact CE2-CE2 3.71Å; F620-F641 AromaticContact CE2-CZ 3.26Å; F620-F641 HydrophobicContact CE2-CZ 3.26Å; F620-F641 HydrophobicContact CG-CE2 4.31Å; F620-F641 AromaticContact CG-CZ 3.78Å; F620-F641 HydrophobicContact CG-CZ 3.78Å; F620-F641 AromaticContact CZ-CE1 3.89Å; F620-F641 HydrophobicContact CZ-CE1 3.89Å; F620-F641 AromaticContact CZ-CZ 3.76Å; F620-F641 HydrophobicContact CZ-CZ 3.76Å; F620-F641 WeakPolarHBondContact O-CZ 3.41Å; F620-L660 HydrophobicContact CB-CD2 4.14Å; F620-L660 HydrophobicContact CD2-CD1 4.45Å
621D90.9Very high90Very high93 Ų9354 Ų5450%0.49729%0.291SS..Hα-helixtrans-68.2-39.1177.7-65.2-31.6000111.7G617 Q618 T624 A625G617-D621 VanDerWaalsContact O-CG 3.29Å; G617-D621 PolarHBondContact O-N 3.11Å; Q618-D621 PolarHBondContact O-N 3.34Å; D621-T624 WeakPolarHBondContact O-CB 3Å; D621-T624 PolarHBondContact O-N 2.95Å; D621-A625 WeakPolarHBondContact O-CB 3.34Å; D621-A625 PolarHBondContact O-N 3.07Å
622Q93.3Very high90.1Very high54 Ų5450.7 Ų50.725%0.25228%0.279SS..Hα-helixtrans-67-42.3175.5-75.21680.500112.4L614 Q618 V619 T624 A625 A626 A752 L754L614-Q622 VanDerWaalsContact CD1-OE1 3.24Å; Q618-Q622 WeakPolarHBondContact O-CB 3.33Å; Q618-Q622 VanDerWaalsContact O-CG 3.23Å; Q618-Q622 WeakPolarHBondContact O-CG 3.17Å; Q618-Q622 PolarHBondContact O-N 3.37Å; V619-Q622 PolarHBondContact O-N 2.73Å; Q622-T624 VanDerWaalsContact C-N 3.33Å; Q622-A625 PolarHBondContact O-N 3.09Å; Q622-A626 PolarHBondContact O-N 2.97Å; Q622-A752 HydrophobicContact CB-CB 4.19Å; Q622-A752 PolarHBondContact OE1-O 3.24Å; Q622-L754 HydrophobicContact CB-CD2 4.24Å
623I93.7Very high90.5Very high0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-62.5-43171-61.8168000110.3V619 A625 A626 L627 F641 L658 L660 I729 I748 L754V619-I623 HydrophobicContact CG1-CD1 4.17Å; V619-I623 VanDerWaalsContact O-CG1 3.32Å; V619-I623 WeakPolarHBondContact O-CG1 3.28Å; V619-I623 PolarHBondContact O-N 3.42Å; I623-A625 VanDerWaalsContact C-N 3.29Å; I623-A625 PolarHBondContact O-N 2.88Å; I623-A626 PolarHBondContact O-N 3.41Å; I623-L627 HydrophobicContact CG2-CD1 3.75Å; I623-L627 HydrophobicContact CG2-CG 4.05Å; I623-L627 WeakPolarHBondContact O-CB 3.28Å; I623-L627 VanDerWaalsContact O-CG 3.27Å; I623-L627 WeakPolarHBondContact O-CG 3.47Å; I623-L627 PolarHBondContact O-N 3.4Å; I623-F641 HydrophobicContact CB-CD2 4.4Å; I623-F641 HydrophobicContact CB-CE2 3.72Å; I623-F641 HydrophobicContact CB-CZ 4.04Å; I623-F641 HydrophobicContact CD1-CE2 4.07Å; I623-F641 HydrophobicContact CG2-CD2 3.61Å; I623-F641 HydrophobicContact CG2-CE2 3.43Å; I623-F641 VanDerWaalsContact CG2-CE2 3.43Å; I623-F641 HydrophobicContact CG2-CG 4.26Å; I623-F641 HydrophobicContact CG2-CZ 3.93Å; I623-L658 HydrophobicContact CG2-CD1 4.11Å; I623-L660 HydrophobicContact CD1-CD1 3.92Å; I623-I729 HydrophobicContact CD1-CD1 3.89Å; I623-I729 HydrophobicContact CD1-CG1 4.16Å; I623-I729 HydrophobicContact CD1-CG2 4.49Å; I623-I748 HydrophobicContact CG2-CG2 4.38Å; I623-L754 HydrophobicContact CD1-CD1 4.1Å; I623-L754 HydrophobicContact CG1-CD1 3.49Å; I623-L754 VanDerWaalsContact CG1-CD1 3.49Å
624T93.9Very high90.8Very high21 Ų2150.9 Ų50.913%0.12926%0.264CS..Hα-helixtrans-59.9-39.3177.4-610000111.8F620 D621 Q622 K628 F634 F641F620-T624 VanDerWaalsContact O-CB 3.31Å; F620-T624 WeakPolarHBondContact O-CB 3.18Å; F620-T624 PolarHBondContact O-N 2.91Å; F620-T624 PolarHBondContact O-OG1 3.43Å; D621-T624 WeakPolarHBondContact O-CB 3Å; D621-T624 PolarHBondContact O-N 2.95Å; Q622-T624 VanDerWaalsContact C-N 3.33Å; T624-K628 HydrophobicContact CG2-CD 4.18Å; T624-K628 WeakPolarHBondContact O-CB 3.43Å; T624-K628 WeakPolarHBondContact O-CD 3.46Å; T624-K628 VanDerWaalsContact O-CG 3.22Å; T624-K628 WeakPolarHBondContact O-CG 3.37Å; T624-K628 PolarHBondContact O-N 2.67Å; T624-K628 VanDerWaalsContact O-N 3.16Å; T624-F634 HydrophobicContact CG2-CZ 4.25Å; T624-F641 VanDerWaalsContact OG1-CE1 3.28Å; T624-F641 WeakPolarHBondContact OG1-CE1 3.47Å; T624-F641 WeakPolarHBondContact OG1-CZ 3.37Å
625A94.1Very high91.1Very high54 Ų5454.1 Ų54.145%0.44628%0.284SS..Hα-helixtrans-66.7-50175.400000111.7D621 Q622 I623 L627 K628 Q629D621-A625 WeakPolarHBondContact O-CB 3.34Å; D621-A625 PolarHBondContact O-N 3.07Å; Q622-A625 PolarHBondContact O-N 3.09Å; I623-A625 VanDerWaalsContact C-N 3.29Å; I623-A625 PolarHBondContact O-N 2.88Å; A625-L627 PolarHBondContact O-N 2.98Å; A625-K628 PolarHBondContact O-N 2.89Å; A625-Q629 WeakPolarHBondContact O-CB 3.45Å; A625-Q629 PolarHBondContact O-N 2.83Å
626A94.1Very high91.3Very high2 Ų254.6 Ų54.62%0.01728%0.282CS..Hα-helixtrans-61.4-42.2179.400000112.7Q622 I623 Q629 Q630 I748 L751 A752Q622-A626 PolarHBondContact O-N 2.97Å; I623-A626 PolarHBondContact O-N 3.41Å; A626-Q629 PolarHBondContact O-N 3.36Å; A626-Q630 PolarHBondContact O-N 3.33Å; A626-I748 HydrophobicContact CB-CG2 4.3Å; A626-L751 HydrophobicContact CB-CB 4Å; A626-A752 HydrophobicContact CB-CB 3.99Å
627L93.1Very high91Very high0 Ų059.1 Ų59.10%030%0.3CS..Hα-helixtrans-61.8-42.8175-71.2174.5000112I623 A625 S631 I632 F634 F641 I748I623-L627 HydrophobicContact CG2-CD1 3.75Å; I623-L627 HydrophobicContact CG2-CG 4.05Å; I623-L627 WeakPolarHBondContact O-CB 3.28Å; I623-L627 VanDerWaalsContact O-CG 3.27Å; I623-L627 WeakPolarHBondContact O-CG 3.47Å; I623-L627 PolarHBondContact O-N 3.4Å; A625-L627 PolarHBondContact O-N 2.98Å; L627-S631 PolarHBondContact O-N 2.87Å; L627-I632 HydrophobicContact CD2-CB 4.1Å; L627-I632 HydrophobicContact CD2-CD1 4Å; L627-I632 HydrophobicContact CD2-CG2 4.03Å; L627-I632 PolarHBondContact O-N 2.89Å; L627-F634 HydrophobicContact CB-CD1 3.7Å; L627-F634 HydrophobicContact CB-CE1 3.69Å; L627-F634 HydrophobicContact CD1-CB 4.32Å; L627-F634 HydrophobicContact CD1-CD1 3.78Å; L627-F634 HydrophobicContact CD1-CD2 4.47Å; L627-F634 HydrophobicContact CD1-CE1 4.17Å; L627-F634 HydrophobicContact CD1-CG 3.95Å; L627-F634 HydrophobicContact CG-CD1 4.3Å; L627-F641 HydrophobicContact CD1-CB 3.99Å; L627-F641 HydrophobicContact CD1-CD1 3.62Å; L627-F641 HydrophobicContact CD1-CD2 4.41Å; L627-F641 HydrophobicContact CD1-CE1 4.2Å; L627-F641 HydrophobicContact CD1-CG 3.75Å; L627-I748 HydrophobicContact CD2-CD1 3.77Å; L627-I748 HydrophobicContact CD2-CG1 4.14Å; L627-I748 HydrophobicContact CD2-CG2 4.1Å; L627-I748 HydrophobicContact CG-CG2 4.35Å
628K92.4Very high90.7Very high140 Ų14059.7 Ų59.761%0.60931%0.306SS*.Hα-helixtrans-65.9-43.3175.4-75.2171.3-179.2175.10112.1T624 A625 Q630 S631 F634T624-K628 HydrophobicContact CG2-CD 4.18Å; T624-K628 WeakPolarHBondContact O-CB 3.43Å; T624-K628 WeakPolarHBondContact O-CD 3.46Å; T624-K628 VanDerWaalsContact O-CG 3.22Å; T624-K628 WeakPolarHBondContact O-CG 3.37Å; T624-K628 PolarHBondContact O-N 2.67Å; T624-K628 VanDerWaalsContact O-N 3.16Å; A625-K628 PolarHBondContact O-N 2.89Å; K628-Q630 VanDerWaalsContact C-N 3.32Å; K628-Q630 PolarHBondContact O-N 2.87Å; K628-S631 WeakPolarHBondContact O-CA 3.5Å; K628-S631 PolarHBondContact O-N 2.96Å; K628-F634 HydrophobicContact CG-CE1 4.33Å
629Q91.3Very high90.5Very high126 Ų12656.1 Ų56.159%0.58929%0.291SS*.Hα-helixtrans-60.2-41.8178.6-176.5-177.3000111.5A625 A626 S631A625-Q629 WeakPolarHBondContact O-CB 3.45Å; A625-Q629 PolarHBondContact O-N 2.83Å; A626-Q629 PolarHBondContact O-N 3.36Å; Q629-S631 PolarHBondContact O-N 2.97Å
630Q87.9Confident90.4Very high49 Ų4956.2 Ų56.223%0.22929%0.292CS..THydrogen-bonded Turntrans-79.66.1174.6-66.9-59.4-47.700113.8A626 K628 I632 L751A626-Q630 PolarHBondContact O-N 3.33Å; K628-Q630 VanDerWaalsContact C-N 3.32Å; K628-Q630 PolarHBondContact O-N 2.87Å; Q630-I632 HydrophobicContact CB-CD1 3.67Å; Q630-I632 HydrophobicContact CB-CG1 3.69Å; Q630-I632 PolarHBondContact O-N 3.36Å; Q630-I632 VanDerWaalsContact O-N 3.16Å; Q630-L751 HydrophobicContact CG-CD1 3.55Å; Q630-L751 VanDerWaalsContact NE2-CD1 3.26Å
631S88.5Confident90.6Very high93 Ų9355.7 Ų55.765%0.6529%0.29SS*.THydrogen-bonded Turntrans55.425.1-177.1-54.80000114.9L627 K628 Q629 R633L627-S631 PolarHBondContact O-N 2.87Å; K628-S631 WeakPolarHBondContact O-CA 3.5Å; K628-S631 PolarHBondContact O-N 2.96Å; Q629-S631 PolarHBondContact O-N 2.97Å; S631-R633 PolarHBondContact O-N 2.77Å
632I87.4Confident90.7Very high9 Ų953.2 Ų53.25%0.04628%0.276CS..  trans-75.3128-174.1-60.7176.5000109.5L627 Q630 F634 C643 F645 I748L627-I632 HydrophobicContact CD2-CB 4.1Å; L627-I632 HydrophobicContact CD2-CD1 4Å; L627-I632 HydrophobicContact CD2-CG2 4.03Å; L627-I632 PolarHBondContact O-N 2.89Å; Q630-I632 HydrophobicContact CB-CD1 3.67Å; Q630-I632 HydrophobicContact CB-CG1 3.69Å; Q630-I632 PolarHBondContact O-N 3.36Å; Q630-I632 VanDerWaalsContact O-N 3.16Å; I632-F634 WeakPolarHBondContact O-CD1 3.35Å; I632-F634 PolarHBondContact O-N 2.98Å; I632-C643 HydrophobicContact CG2-CB 4.15Å; I632-F645 HydrophobicContact CB-CZ 4.23Å; I632-F645 HydrophobicContact CD1-CZ 3.79Å; I632-F645 HydrophobicContact CG1-CE1 3.99Å; I632-F645 HydrophobicContact CG1-CZ 3.64Å; I632-F645 HydrophobicContact CG2-CE1 4.26Å; I632-F645 HydrophobicContact CG2-CE2 3.99Å; I632-F645 HydrophobicContact CG2-CZ 3.7Å; I632-I748 HydrophobicContact CD1-CD1 3.74Å; I632-I748 HydrophobicContact CD1-CG1 3.87Å
633R88.6Confident90.7Very high183 Ų18350.6 Ų50.669%0.69126%0.264SS*.  trans-73.7121.3173179-177.5-70.5174.7-0.1109.7S631 V644S631-R633 PolarHBondContact O-N 2.77Å; R633-V644 PolarHBondContact O-N 3.49Å
634F93.1Very high90.6Very high51 Ų5152.3 Ų52.322%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-135.9160.5176.466.7-93.5000112.9T624 L627 K628 I632 L636 F641 L642T624-F634 HydrophobicContact CG2-CZ 4.25Å; L627-F634 HydrophobicContact CB-CD1 3.7Å; L627-F634 HydrophobicContact CB-CE1 3.69Å; L627-F634 HydrophobicContact CD1-CB 4.32Å; L627-F634 HydrophobicContact CD1-CD1 3.78Å; L627-F634 HydrophobicContact CD1-CD2 4.47Å; L627-F634 HydrophobicContact CD1-CE1 4.17Å; L627-F634 HydrophobicContact CD1-CG 3.95Å; L627-F634 HydrophobicContact CG-CD1 4.3Å; K628-F634 HydrophobicContact CG-CE1 4.33Å; I632-F634 WeakPolarHBondContact O-CD1 3.35Å; I632-F634 PolarHBondContact O-N 2.98Å; F634-L636 HydrophobicContact CD2-CD2 4.25Å; F634-L636 HydrophobicContact CE2-CD2 4.06Å; F634-F641 AromaticContact CD2-CD1 3.74Å; F634-F641 HydrophobicContact CD2-CD1 3.74Å; F634-F641 HydrophobicContact CD2-CE1 4.45Å; F634-F641 AromaticContact CE2-CD1 3.92Å; F634-F641 HydrophobicContact CE2-CD1 3.92Å; F634-F641 HydrophobicContact CE2-CE1 4.17Å; F634-F641 HydrophobicContact CG-CD1 4.37Å; F634-L642 CarbonylContact C-O 3.54Å; F634-L642 WeakPolarHBondContact CA-O 3.48Å
635T93.2Very high90.2Very high79 Ų7951.8 Ų51.849%0.48527%0.27SS..EExtended strand (participates in β ladder)trans-127.5152.1167.2600000110.6L642T635-L642 PolarHBondContact N-O 3.49Å; T635-L642 PolarHBondContact O-N 2.91Å
636L91.2Very high89.5Confident61 Ų6150.2 Ų50.232%0.31926%0.258SS..EExtended strand (participates in β ladder)trans-81.7125.6180-59.7-172.6000110.9V587 F620 F634 F641V587-L636 HydrophobicContact CG1-CD1 4.5Å; F620-L636 HydrophobicContact CE2-CD2 4.24Å; F620-L636 HydrophobicContact CZ-CD1 4.11Å; F620-L636 HydrophobicContact CZ-CD2 3.68Å; F634-L636 HydrophobicContact CD2-CD2 4.25Å; F634-L636 HydrophobicContact CE2-CD2 4.06Å; L636-F641 HydrophobicContact CD2-CD1 3.75Å; L636-F641 HydrophobicContact CD2-CE1 3.78Å
637K83Confident88.4Confident108 Ų10850.8 Ų50.847%0.4726%0.26SS..  trans-127.688.3-177-167.2-172.7-177.5-169.70110.5S639 G640 L642 E657K637-S639 PolarHBondContact O-N 3.44Å; K637-G640 PolarHBondContact N-O 2.91Å; K637-G640 PolarHBondContact O-N 3.19Å; K637-L642 HydrophobicContact CB-CB 4.36Å; K637-E657 VanDerWaalsContact CD-CD 3.48Å; K637-E657 HydrophobicContact CD-CG 4.07Å; K637-E657 WeakPolarHBondContact CD-OE1 3.46Å; K637-E657 IonicContact NZ-OE1 2.69Å; K637-E657 PolarHBondContact NZ-OE1 2.9Å; K637-E657 IonicContact NZ-OE2 3.51Å; K637-E657 PolarHBondContact NZ-OE2 3.15Å
638G82.2Confident87.3Confident31 Ų3157.1 Ų57.132%0.3229%0.294SS..SBendtrans70.2-115.9-176.500000111.1
639S84.9Confident86.2Confident13 Ų1360.2 Ų60.29%0.09130%0.302CS..SBendtrans-102.540.4177.8-570000111.7K637 L660K637-S639 PolarHBondContact O-N 3.44Å; S639-L660 WeakPolarHBondContact O-CB 3.39Å; S639-L660 PolarHBondContact O-N 2.88Å
640G90.7Very high85Confident2 Ų257 Ų572%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-170.6-177.2-170.100000114.5K637 L658K637-G640 PolarHBondContact N-O 2.91Å; K637-G640 PolarHBondContact O-N 3.19Å; G640-L658 CarbonylContact C-O 3.3Å; G640-L658 WeakPolarHBondContact CA-O 3.42Å
641F94.4Very high84.2Confident1 Ų157.9 Ų57.90%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-118.9127.3-171.3-51.7-92.1000110.3F620 I623 T624 L627 F634 L636 E657 L658 L660F620-F641 HydrophobicContact CD1-CZ 4.2Å; F620-F641 HydrophobicContact CD2-CE1 4.21Å; F620-F641 AromaticContact CD2-CE2 3.53Å; F620-F641 HydrophobicContact CD2-CE2 3.53Å; F620-F641 AromaticContact CD2-CZ 3.27Å; F620-F641 HydrophobicContact CD2-CZ 3.27Å; F620-F641 HydrophobicContact CE1-CE1 4.44Å; F620-F641 HydrophobicContact CE1-CZ 4.2Å; F620-F641 AromaticContact CE2-CE1 3.75Å; F620-F641 HydrophobicContact CE2-CE1 3.75Å; F620-F641 AromaticContact CE2-CE2 3.71Å; F620-F641 HydrophobicContact CE2-CE2 3.71Å; F620-F641 AromaticContact CE2-CZ 3.26Å; F620-F641 HydrophobicContact CE2-CZ 3.26Å; F620-F641 HydrophobicContact CG-CE2 4.31Å; F620-F641 AromaticContact CG-CZ 3.78Å; F620-F641 HydrophobicContact CG-CZ 3.78Å; F620-F641 AromaticContact CZ-CE1 3.89Å; F620-F641 HydrophobicContact CZ-CE1 3.89Å; F620-F641 AromaticContact CZ-CZ 3.76Å; F620-F641 HydrophobicContact CZ-CZ 3.76Å; F620-F641 WeakPolarHBondContact O-CZ 3.41Å; I623-F641 HydrophobicContact CB-CD2 4.4Å; I623-F641 HydrophobicContact CB-CE2 3.72Å; I623-F641 HydrophobicContact CB-CZ 4.04Å; I623-F641 HydrophobicContact CD1-CE2 4.07Å; I623-F641 HydrophobicContact CG2-CD2 3.61Å; I623-F641 HydrophobicContact CG2-CE2 3.43Å; I623-F641 VanDerWaalsContact CG2-CE2 3.43Å; I623-F641 HydrophobicContact CG2-CG 4.26Å; I623-F641 HydrophobicContact CG2-CZ 3.93Å; T624-F641 VanDerWaalsContact OG1-CE1 3.28Å; T624-F641 WeakPolarHBondContact OG1-CE1 3.47Å; T624-F641 WeakPolarHBondContact OG1-CZ 3.37Å; L627-F641 HydrophobicContact CD1-CB 3.99Å; L627-F641 HydrophobicContact CD1-CD1 3.62Å; L627-F641 HydrophobicContact CD1-CD2 4.41Å; L627-F641 HydrophobicContact CD1-CE1 4.2Å; L627-F641 HydrophobicContact CD1-CG 3.75Å; F634-F641 AromaticContact CD2-CD1 3.74Å; F634-F641 HydrophobicContact CD2-CD1 3.74Å; F634-F641 HydrophobicContact CD2-CE1 4.45Å; F634-F641 AromaticContact CE2-CD1 3.92Å; F634-F641 HydrophobicContact CE2-CD1 3.92Å; F634-F641 HydrophobicContact CE2-CE1 4.17Å; F634-F641 HydrophobicContact CG-CD1 4.37Å; L636-F641 HydrophobicContact CD2-CD1 3.75Å; L636-F641 HydrophobicContact CD2-CE1 3.78Å; F641-E657 CarbonylContact O-C 3.56Å; F641-E657 VanDerWaalsContact O-CA 3.28Å; F641-E657 WeakPolarHBondContact O-CA 3.39Å; F641-L658 HydrophobicContact CB-CB 4.48Å; F641-L658 HydrophobicContact CD2-CB 4.32Å; F641-L658 PolarHBondContact N-O 2.87Å; F641-L658 PolarHBondContact O-N 3.11Å; F641-L660 HydrophobicContact CE2-CD1 4.43Å
642L93.6Very high83.6Confident40 Ų4055.6 Ų55.621%0.20929%0.287CS..EExtended strand (participates in β ladder)trans-93.7106.7163.8168.558.6000108F634 T635 K637 V644 E657 I734F634-L642 CarbonylContact C-O 3.54Å; F634-L642 WeakPolarHBondContact CA-O 3.48Å; T635-L642 PolarHBondContact N-O 3.49Å; T635-L642 PolarHBondContact O-N 2.91Å; K637-L642 HydrophobicContact CB-CB 4.36Å; L642-V644 HydrophobicContact CD1-CG2 4.18Å; L642-V644 HydrophobicContact CG-CG2 3.98Å; L642-E657 HydrophobicContact CB-CG 4.23Å; L642-E657 HydrophobicContact CD1-CG 4.14Å; L642-I734 HydrophobicContact CD1-CD1 3.41Å; L642-I734 VanDerWaalsContact CD1-CD1 3.41Å
643C94Very high83.1Confident0 Ų055.4 Ų55.40%029%0.287CS..EExtended strand (participates in β ladder)trans-91.6136.1178.8-56.60000109.8I632 S655 F656I632-C643 HydrophobicContact CG2-CB 4.15Å; C643-S655 VanDerWaalsContact O-CA 3.25Å; C643-S655 WeakPolarHBondContact O-CA 3.32Å; C643-S655 WeakPolarHBondContact O-CB 3.25Å; C643-F656 HydrophobicContact CB-CD1 4.48Å; C643-F656 HydrophobicContact CB-CD2 3.9Å; C643-F656 HydrophobicContact CB-CE1 4.19Å; C643-F656 HydrophobicContact CB-CE2 3.56Å; C643-F656 HydrophobicContact CB-CG 4.35Å; C643-F656 HydrophobicContact CB-CZ 3.72Å; C643-F656 PolarHBondContact N-O 3.46Å; C643-F656 PolarHBondContact O-N 2.83Å; C643-F656 VanDerWaalsContact O-N 3.08Å
644V90.2Very high82.9Confident35 Ų3546.7 Ų46.721%0.21225%0.254CS..EExtended strand (participates in β ladder)trans-141.5115-172.8-174.30000110.5R633 L642 T652R633-V644 PolarHBondContact O-N 3.49Å; L642-V644 HydrophobicContact CD1-CG2 4.18Å; L642-V644 HydrophobicContact CG-CG2 3.98Å; V644-T652 HydrophobicContact CG1-CG2 3.83Å
645F87.1Confident82.7Confident10 Ų1044.8 Ų44.84%0.04425%0.247CC..EExtended strand (participates in β ladder)trans-99.6134.7168.5-61.9-93.2000109.4P214 E215 I632 T652 V653 L654 F656 L744P214-F645 HydrophobicContact CB-CB 4.03Å; P214-F645 HydrophobicContact CB-CG 4.25Å; P214-F645 HydrophobicContact CG-CB 4.15Å; P214-F645 HydrophobicContact CG-CD1 4.02Å; P214-F645 HydrophobicContact CG-CD2 4.09Å; P214-F645 HydrophobicContact CG-CE1 4.37Å; P214-F645 HydrophobicContact CG-CE2 4.46Å; P214-F645 HydrophobicContact CG-CG 3.82Å; E215-F645 WeakPolarHBondContact OE2-CD1 3.34Å; I632-F645 HydrophobicContact CB-CZ 4.23Å; I632-F645 HydrophobicContact CD1-CZ 3.79Å; I632-F645 HydrophobicContact CG1-CE1 3.99Å; I632-F645 HydrophobicContact CG1-CZ 3.64Å; I632-F645 HydrophobicContact CG2-CE1 4.26Å; I632-F645 HydrophobicContact CG2-CE2 3.99Å; I632-F645 HydrophobicContact CG2-CZ 3.7Å; F645-T652 CarbonylContact O-C 3.53Å; F645-T652 WeakPolarHBondContact O-CA 3.47Å; F645-V653 HydrophobicContact CB-CG2 3.92Å; F645-V653 PolarHBondContact O-N 2.85Å; F645-L654 HydrophobicContact CB-CB 4.27Å; F645-L654 HydrophobicContact CD2-CB 4.22Å; F645-L654 HydrophobicContact CD2-CD2 3.93Å; F645-L654 HydrophobicContact CD2-CG 4.44Å; F645-L654 HydrophobicContact CE2-CD2 4.17Å; F645-L654 PolarHBondContact N-O 2.86Å; F645-L654 PolarHBondContact O-N 2.99Å; F645-F656 AromaticContact CE2-CE1 3.9Å; F645-F656 HydrophobicContact CE2-CE1 3.9Å; F645-F656 HydrophobicContact CE2-CZ 4.32Å; F645-L744 HydrophobicContact CE2-CD1 3.83Å; F645-L744 HydrophobicContact CZ-CD1 3.92Å; F645-L744 HydrophobicContact CZ-CD2 4.12Å
646A77.8Confident82.6Confident22 Ų2241 Ų4118%0.18222%0.224CC..EExtended strand (participates in β ladder)trans-138.6143.9179.900000109.5K651A646-K651 VanDerWaalsContact CA-O 3.28Å; A646-K651 WeakPolarHBondContact CA-O 3.41Å
647N72.5Confident82.7Confident14 Ų1439.8 Ų39.88%0.07522%0.217CC..  trans-74.8176.7174.862.419.5000112W649 G650 K651 V653N647-W649 HydrophobicContact CB-CE3 4.16Å; N647-W649 HydrophobicContact CB-CZ3 4.46Å; N647-W649 PolarHBondContact O-N 2.91Å; N647-W649 VanDerWaalsContact O-N 3.08Å; N647-W649 PolarHBondContact OD1-N 2.86Å; N647-G650 WeakPolarHBondContact O-CA 3.35Å; N647-G650 PolarHBondContact O-N 3.44Å; N647-K651 PolarHBondContact N-O 3.37Å; N647-K651 VanDerWaalsContact N-O 3.11Å; N647-K651 WeakPolarHBondContact OD1-CB 3.3Å; N647-K651 PolarHBondContact OD1-N 3.26Å; N647-K651 PolarHBondContact OD1-O 2.9Å; N647-V653 HydrophobicContact CB-CG1 4.14Å
648D70.6Confident83.2Confident132 Ų13234.7 Ų34.771%0.70619%0.194SC*.THydrogen-bonded Turntrans-57.1-27.5-175.3-52.5-46.1000113.6G650D648-G650 PolarHBondContact O-N 3.49Å
649W68.3Low83.7Confident206 Ų20635 Ų3578%0.7819%0.187SC*.THydrogen-bonded Turntrans-83.312.7174.4-51.4-79.7000113.7N647 K651N647-W649 HydrophobicContact CB-CE3 4.16Å; N647-W649 HydrophobicContact CB-CZ3 4.46Å; N647-W649 PolarHBondContact O-N 2.91Å; N647-W649 VanDerWaalsContact O-N 3.08Å; N647-W649 PolarHBondContact OD1-N 2.86Å; W649-K651 PolarHBondContact O-N 3.29Å
650G67Low84.1Confident57 Ų5734.4 Ų34.459%0.58818%0.183SC*.SBendtrans72.86.4178.500000115.3N647 D648N647-G650 WeakPolarHBondContact O-CA 3.35Å; N647-G650 PolarHBondContact O-N 3.44Å; D648-G650 PolarHBondContact O-N 3.49Å
651K69.2Low84.1Confident69 Ų6934.4 Ų34.430%0.318%0.183SC..  trans-86.1122.8-174.6-162.1173.4-163.8166.20110.7N166 F168 A646 N647 W649 V653N166-K651 PolarHBondContact O-NZ 2.88Å; N166-K651 VanDerWaalsContact O-NZ 3.17Å; F168-K651 HydrophobicContact CB-CD 4.23Å; F168-K651 HydrophobicContact CD1-CD 4.02Å; F168-K651 HydrophobicContact CE1-CD 4.5Å; F168-K651 HydrophobicContact CG-CD 4.15Å; A646-K651 VanDerWaalsContact CA-O 3.28Å; A646-K651 WeakPolarHBondContact CA-O 3.41Å; N647-K651 PolarHBondContact N-O 3.37Å; N647-K651 VanDerWaalsContact N-O 3.11Å; N647-K651 WeakPolarHBondContact OD1-CB 3.3Å; N647-K651 PolarHBondContact OD1-N 3.26Å; N647-K651 PolarHBondContact OD1-O 2.9Å; W649-K651 PolarHBondContact O-N 3.29Å; K651-V653 PolarHBondContact O-N 2.84Å
652T77.1Confident83.9Confident44 Ų4436.5 Ų36.527%0.2719%0.191SC..EExtended strand (participates in β ladder)trans-60.1117.8178.7-52.40000111.8V644 F645 R735V644-T652 HydrophobicContact CG1-CG2 3.83Å; F645-T652 CarbonylContact O-C 3.53Å; F645-T652 WeakPolarHBondContact O-CA 3.47Å; T652-R735 PolarHBondContact O-NE 3.01Å; T652-R735 VanDerWaalsContact O-NE 3.13Å
653V75.8Confident83.5Confident6 Ų634.8 Ų34.84%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-93.3-35.4176.4-63.90000112.1F172 P214 F645 N647 K651F172-V653 HydrophobicContact CD2-CB 4.05Å; F172-V653 HydrophobicContact CD2-CG1 4.15Å; F172-V653 HydrophobicContact CE2-CB 3.96Å; F172-V653 HydrophobicContact CE2-CG1 3.75Å; F172-V653 HydrophobicContact CZ-CG1 4.37Å; P214-V653 HydrophobicContact CB-CG2 3.71Å; F645-V653 HydrophobicContact CB-CG2 3.92Å; F645-V653 PolarHBondContact O-N 2.85Å; N647-V653 HydrophobicContact CB-CG1 4.14Å; K651-V653 PolarHBondContact O-N 2.84Å
654L84.5Confident83Confident0 Ų036.5 Ų36.50%019%0.194CC..EExtended strand (participates in β ladder)trans-144138.1177.8-174.679000109.2P214 F645 F656 R735 L744P214-L654 HydrophobicContact CB-CB 4.22Å; P214-L654 HydrophobicContact CG-CB 4.25Å; P214-L654 HydrophobicContact CG-CD2 3.77Å; F645-L654 HydrophobicContact CB-CB 4.27Å; F645-L654 HydrophobicContact CD2-CB 4.22Å; F645-L654 HydrophobicContact CD2-CD2 3.93Å; F645-L654 HydrophobicContact CD2-CG 4.44Å; F645-L654 HydrophobicContact CE2-CD2 4.17Å; F645-L654 PolarHBondContact N-O 2.86Å; F645-L654 PolarHBondContact O-N 2.99Å; L654-F656 HydrophobicContact CD2-CD1 4.16Å; L654-F656 HydrophobicContact CD2-CE1 3.97Å; L654-F656 HydrophobicContact CG-CD1 4.29Å; L654-R735 WeakPolarHBondContact CA-O 3.42Å; L654-R735 WeakPolarHBondContact CD1-O 3.14Å; L654-L744 HydrophobicContact CD2-CD1 3.38Å
655S89.8Confident82.5Confident11 Ų1135.8 Ų35.88%0.07719%0.192CC..EExtended strand (participates in β ladder)trans-148.1146.2166.360.40000112.7C643 I734 R735C643-S655 VanDerWaalsContact O-CA 3.25Å; C643-S655 WeakPolarHBondContact O-CA 3.32Å; C643-S655 WeakPolarHBondContact O-CB 3.25Å; S655-I734 WeakPolarHBondContact O-CA 3.16Å; S655-I734 WeakPolarHBondContact O-CB 3.37Å; S655-I734 PolarHBondContact O-N 2.83Å; S655-R735 PolarHBondContact N-O 2.96Å; S655-R735 PolarHBondContact O-N 2.85Å; S655-R735 VanDerWaalsContact O-N 3.09Å
656F91.8Very high82.1Confident0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-154.3161.6-179.157.7-97.3000112.6C643 F645 L654 L658 K732 Y741 L744 I748C643-F656 HydrophobicContact CB-CD1 4.48Å; C643-F656 HydrophobicContact CB-CD2 3.9Å; C643-F656 HydrophobicContact CB-CE1 4.19Å; C643-F656 HydrophobicContact CB-CE2 3.56Å; C643-F656 HydrophobicContact CB-CG 4.35Å; C643-F656 HydrophobicContact CB-CZ 3.72Å; C643-F656 PolarHBondContact N-O 3.46Å; C643-F656 PolarHBondContact O-N 2.83Å; C643-F656 VanDerWaalsContact O-N 3.08Å; F645-F656 AromaticContact CE2-CE1 3.9Å; F645-F656 HydrophobicContact CE2-CE1 3.9Å; F645-F656 HydrophobicContact CE2-CZ 4.32Å; L654-F656 HydrophobicContact CD2-CD1 4.16Å; L654-F656 HydrophobicContact CD2-CE1 3.97Å; L654-F656 HydrophobicContact CG-CD1 4.29Å; F656-L658 HydrophobicContact CD2-CD2 4.32Å; F656-L658 HydrophobicContact CD2-CG 4.21Å; F656-L658 HydrophobicContact CE2-CD1 4.27Å; F656-L658 HydrophobicContact CE2-CD2 4.39Å; F656-L658 HydrophobicContact CE2-CG 4.16Å; F656-K732 CarbonylContact C-O 3.55Å; F656-K732 VanDerWaalsContact CA-O 3.24Å; F656-K732 WeakPolarHBondContact CA-O 3.35Å; F656-K732 WeakPolarHBondContact CB-O 3.48Å; F656-Y741 HydrophobicContact CB-CD2 3.66Å; F656-Y741 HydrophobicContact CB-CE2 3.62Å; F656-Y741 AromaticContact CD1-CD2 3.97Å; F656-Y741 HydrophobicContact CD1-CD2 3.97Å; F656-Y741 AromaticContact CG-CD2 3.87Å; F656-Y741 HydrophobicContact CG-CD2 3.87Å; F656-Y741 HydrophobicContact CG-CE2 4.05Å; F656-L744 HydrophobicContact CE1-CB 4.35Å; F656-L744 HydrophobicContact CZ-CB 4.4Å; F656-I748 HydrophobicContact CE2-CD1 4Å; F656-I748 HydrophobicContact CZ-CD1 3.73Å
657E93Very high82Confident35 Ų3544.1 Ų44.116%0.16422%0.224CC..EExtended strand (participates in β ladder)trans-112.7138.1176.8-93155.2-133.600111.7K637 F641 L642 M731 K732 I734K637-E657 VanDerWaalsContact CD-CD 3.48Å; K637-E657 HydrophobicContact CD-CG 4.07Å; K637-E657 WeakPolarHBondContact CD-OE1 3.46Å; K637-E657 IonicContact NZ-OE1 2.69Å; K637-E657 PolarHBondContact NZ-OE1 2.9Å; K637-E657 IonicContact NZ-OE2 3.51Å; K637-E657 PolarHBondContact NZ-OE2 3.15Å; F641-E657 CarbonylContact O-C 3.56Å; F641-E657 VanDerWaalsContact O-CA 3.28Å; F641-E657 WeakPolarHBondContact O-CA 3.39Å; L642-E657 HydrophobicContact CB-CG 4.23Å; L642-E657 HydrophobicContact CD1-CG 4.14Å; E657-M731 CarbonylContact O-C 3.57Å; E657-M731 WeakPolarHBondContact O-CA 3.2Å; E657-K732 HydrophobicContact CB-CB 4.29Å; E657-K732 PolarHBondContact N-O 2.95Å; E657-K732 PolarHBondContact O-N 2.65Å; E657-I734 HydrophobicContact CB-CD1 4.3Å; E657-I734 HydrophobicContact CG-CD1 3.87Å; E657-I734 WeakPolarHBondContact OE1-CD1 3.49Å
658L93.6Very high82.1Confident0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-116.7102.9168.8-59.9178.4000108.2I623 G640 F641 F656 I729 M731 I748I623-L658 HydrophobicContact CG2-CD1 4.11Å; G640-L658 CarbonylContact C-O 3.3Å; G640-L658 WeakPolarHBondContact CA-O 3.42Å; F641-L658 HydrophobicContact CB-CB 4.48Å; F641-L658 HydrophobicContact CD2-CB 4.32Å; F641-L658 PolarHBondContact N-O 2.87Å; F641-L658 PolarHBondContact O-N 3.11Å; F656-L658 HydrophobicContact CD2-CD2 4.32Å; F656-L658 HydrophobicContact CD2-CG 4.21Å; F656-L658 HydrophobicContact CE2-CD1 4.27Å; F656-L658 HydrophobicContact CE2-CD2 4.39Å; F656-L658 HydrophobicContact CE2-CG 4.16Å; L658-I729 HydrophobicContact CB-CG2 4.3Å; L658-I729 HydrophobicContact CD2-CG2 4.38Å; L658-M731 HydrophobicContact CD2-CB 4.26Å; L658-M731 HydrophobicContact CD2-CG 3.76Å; L658-I748 HydrophobicContact CD1-CG2 4.17Å
659E92.1Very high82.5Confident38 Ų3843.1 Ų43.118%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-105.8121.9-177.3-176.9-179.3-147.500110.5R599 V661 K730R599-E659 WeakPolarHBondContact CD-OE1 3.24Å; R599-E659 IonicContact CZ-OE1 2.68Å; R599-E659 IonicContact NE-OE1 2.71Å; R599-E659 IonicContact NH1-OE1 3.77Å; R599-E659 PolarHBondContact NH1-OE1 2.9Å; E659-V661 HydrophobicContact CG-CG1 4.06Å; E659-K730 HydrophobicContact CB-CB 4.41Å; E659-K730 PolarHBondContact N-O 2.88Å; E659-K730 PolarHBondContact O-N 2.97Å
660L92.6Very high82.8Confident1 Ų135.8 Ų35.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-70.2131.6170.1-82.167.6000109.3L593 L598 P616 V619 F620 I623 S639 F641 L727L593-L660 HydrophobicContact CD2-CD2 4.49Å; L598-L660 HydrophobicContact CD1-CB 4.37Å; L598-L660 HydrophobicContact CD2-CB 3.82Å; P616-L660 WeakPolarHBondContact O-CD2 3.37Å; V619-L660 HydrophobicContact CB-CD2 4.16Å; V619-L660 HydrophobicContact CG1-CD2 3.96Å; V619-L660 HydrophobicContact CG1-CG 4.19Å; F620-L660 HydrophobicContact CB-CD2 4.14Å; F620-L660 HydrophobicContact CD2-CD1 4.45Å; I623-L660 HydrophobicContact CD1-CD1 3.92Å; S639-L660 WeakPolarHBondContact O-CB 3.39Å; S639-L660 PolarHBondContact O-N 2.88Å; F641-L660 HydrophobicContact CE2-CD1 4.43Å; L660-L727 HydrophobicContact CD2-CD2 4.49Å
661V90.8Very high83Confident2 Ų234.7 Ų34.71%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-136.7152.6-177.9-67.90000111.2R599 T601 V607 E659 V663 G728 K730R599-V661 WeakPolarHBondContact O-CA 3.48Å; R599-V661 WeakPolarHBondContact O-CB 3.43Å; T601-V661 HydrophobicContact CG2-CB 4.18Å; T601-V661 HydrophobicContact CG2-CG2 3.83Å; V607-V661 HydrophobicContact CG1-CG2 4.21Å; E659-V661 HydrophobicContact CG-CG1 4.06Å; V661-V663 HydrophobicContact CG2-CG2 4.18Å; V661-G728 WeakPolarHBondContact CG2-O 3.41Å; V661-G728 PolarHBondContact N-O 3.45Å; V661-G728 PolarHBondContact O-N 3.46Å; V661-K730 HydrophobicContact CG1-CB 4.17Å; V661-K730 HydrophobicContact CG2-CB 4.08Å
662Y89.9Confident83.1Confident45 Ų4534.5 Ų34.518%0.17619%0.187CC..EExtended strand (participates in β ladder)trans-86.6141.7162.4-79.6-56.1000110.5L598 R599 K600 T601 R725 M726 L727L598-Y662 HydrophobicContact CB-CD2 3.57Å; L598-Y662 HydrophobicContact CB-CE2 3.69Å; L598-Y662 HydrophobicContact CB-CG 4.37Å; L598-Y662 HydrophobicContact CD1-CD2 4.24Å; L598-Y662 HydrophobicContact CD1-CE1 4.39Å; L598-Y662 HydrophobicContact CD1-CE2 3.96Å; L598-Y662 HydrophobicContact CG-CD2 4.45Å; L598-Y662 HydrophobicContact CG-CE2 4.18Å; R599-Y662 PolarHBondContact O-N 3.4Å; K600-Y662 CarbonylContact C-O 3.53Å; K600-Y662 VanDerWaalsContact CA-O 3.31Å; K600-Y662 WeakPolarHBondContact CA-O 3.37Å; T601-Y662 PolarHBondContact N-O 3.06Å; Y662-R725 HydrophobicContact CD1-CB 4.12Å; Y662-M726 WeakPolarHBondContact CA-O 3.42Å; Y662-L727 HydrophobicContact CE1-CD1 4.02Å; Y662-L727 HydrophobicContact CE1-CG 4.29Å
663V85.8Confident82.8Confident3 Ų340.2 Ų40.22%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-126.5136.2-177.4-173.90000108.2T601 L604 V607 I609 V661 V668 R725 M726T601-V663 HydrophobicContact CG2-CG2 4Å; L604-V663 HydrophobicContact CD2-CG1 3.51Å; V607-V663 HydrophobicContact CG1-CG2 4.06Å; I609-V663 HydrophobicContact CD1-CB 4.35Å; I609-V663 HydrophobicContact CD1-CG1 4.04Å; I609-V663 HydrophobicContact CD1-CG2 4.14Å; V661-V663 HydrophobicContact CG2-CG2 4.18Å; V663-V668 HydrophobicContact CG1-CG2 3.59Å; V663-R725 CarbonylContact O-C 3.56Å; V663-R725 WeakPolarHBondContact O-CA 3.44Å; V663-M726 PolarHBondContact N-O 3.16Å; V663-M726 PolarHBondContact O-N 2.94Å
664S83.6Confident82.2Confident36 Ų3648.7 Ų48.725%0.25224%0.235SC..  trans-73.3131.9172.5166.80000110.1R666 A667 V668 D724S664-R666 PolarHBondContact O-N 2.9Å; S664-R666 PolarHBondContact OG-N 2.78Å; S664-A667 WeakPolarHBondContact O-CB 3.49Å; S664-A667 PolarHBondContact O-N 2.76Å; S664-V668 PolarHBondContact O-N 3.34Å; S664-D724 WeakPolarHBondContact CA-O 3.49Å; S664-D724 PolarHBondContact OG-OD1 3.11Å
665A78.9Confident81.1Confident21 Ų2156.7 Ų56.717%0.17427%0.265CS..Hα-helixtrans-58.9-40.5177.900000110.8A667 V668 E669 D724 M726A665-A667 PolarHBondContact O-N 2.6Å; A665-V668 WeakPolarHBondContact O-CA 3.47Å; A665-V668 WeakPolarHBondContact O-CB 3.28Å; A665-V668 PolarHBondContact O-N 2.86Å; A665-E669 PolarHBondContact O-N 3.47Å; A665-D724 PolarHBondContact N-OD1 3.24Å; A665-M726 HydrophobicContact CB-CG 4.23Å; A665-M726 HydrophobicContact CB-SD 4.31Å
666R79.1Confident79.8Confident183 Ų18362.2 Ų62.269%0.69129%0.291SS*.Hα-helixtrans-58.7-33.1174.3-61.3176.6178.3-164.5-1.8113.5S664 A670 D724S664-R666 PolarHBondContact O-N 2.9Å; S664-R666 PolarHBondContact OG-N 2.78Å; R666-A670 WeakPolarHBondContact O-CB 3.38Å; R666-A670 PolarHBondContact O-N 3.3Å; R666-A670 VanDerWaalsContact O-N 3.13Å; R666-D724 VanDerWaalsContact CD-OD2 3.3Å; R666-D724 WeakPolarHBondContact CD-OD2 3.44Å; R666-D724 PolarHBondContact N-OD1 2.89Å; R666-D724 IonicContact NE-OD2 2.71Å; R666-D724 PolarHBondContact NE-OD2 3.33Å
667A76.4Confident78.2Confident24 Ų2466.2 Ų66.220%0.19832%0.316CS..Hα-helixtrans-72-39.2175.500000111.2L604 S664 A665 A670 S671L604-A667 VanDerWaalsContact CD1-C 3.49Å; L604-A667 HydrophobicContact CD1-CB 4.19Å; L604-A667 WeakPolarHBondContact CD1-O 3.35Å; S664-A667 WeakPolarHBondContact O-CB 3.49Å; S664-A667 PolarHBondContact O-N 2.76Å; A665-A667 PolarHBondContact O-N 2.6Å; A667-A670 PolarHBondContact O-N 2.83Å; A667-S671 WeakPolarHBondContact O-CB 3.17Å; A667-S671 PolarHBondContact O-N 3.42Å
668V74.9Confident75.9Confident24 Ų2470.4 Ų70.415%0.14534%0.339CS..Hα-helixtrans-61.3-51.9174.2-177.80000110L604 I609 V663 S664 A665 A670 S671 V672 M726L604-V668 HydrophobicContact CD2-CG2 4.14Å; I609-V668 HydrophobicContact CD1-CG2 3.78Å; I609-V668 HydrophobicContact CG1-CG1 4.39Å; I609-V668 HydrophobicContact CG1-CG2 4.27Å; V663-V668 HydrophobicContact CG1-CG2 3.59Å; S664-V668 PolarHBondContact O-N 3.34Å; A665-V668 WeakPolarHBondContact O-CA 3.47Å; A665-V668 WeakPolarHBondContact O-CB 3.28Å; A665-V668 PolarHBondContact O-N 2.86Å; V668-A670 VanDerWaalsContact C-N 3.32Å; V668-A670 PolarHBondContact O-N 2.88Å; V668-S671 WeakPolarHBondContact O-CB 3.39Å; V668-S671 PolarHBondContact O-N 2.99Å; V668-V672 HydrophobicContact CG1-CG2 4.23Å; V668-V672 WeakPolarHBondContact O-CG2 3.4Å; V668-V672 PolarHBondContact O-N 2.99Å; V668-M726 HydrophobicContact CB-SD 4.32Å; V668-M726 HydrophobicContact CG2-SD 3.96Å
669E77.9Confident73.7Confident101 Ų10180.9 Ų80.947%0.47238%0.378SS..Hα-helixtrans-52.7-47.3176.2-72.4178.8-147.200112.6A665 S671 V672 R673A665-E669 PolarHBondContact O-N 3.47Å; E669-S671 VanDerWaalsContact C-N 3.31Å; E669-S671 PolarHBondContact O-N 3.49Å; E669-V672 PolarHBondContact O-N 2.93Å; E669-R673 WeakPolarHBondContact O-CG 3.48Å; E669-R673 PolarHBondContact O-N 2.76Å; E669-R673 IonicContact OE2-NH2 3.66Å
670A74.6Confident71.4Confident52 Ų5283.3 Ų83.343%0.4340%0.399SS..Hα-helixtrans-64.6-34.5179.200000112.8R666 A667 V668 R674R666-A670 WeakPolarHBondContact O-CB 3.38Å; R666-A670 PolarHBondContact O-N 3.3Å; R666-A670 VanDerWaalsContact O-N 3.13Å; A667-A670 PolarHBondContact O-N 2.83Å; V668-A670 VanDerWaalsContact C-N 3.32Å; V668-A670 PolarHBondContact O-N 2.88Å; A670-R674 WeakPolarHBondContact O-CG 3.34Å; A670-R674 PolarHBondContact O-N 2.86Å
671S70.8Confident68.8Low34 Ų3488.5 Ų88.524%0.23843%0.431CS..Hα-helixtrans-72.7-42.6176.1-1690000112.3L604 A667 V668 E669 R674 R675L604-S671 VanDerWaalsContact CD1-CB 3.47Å; A667-S671 WeakPolarHBondContact O-CB 3.17Å; A667-S671 PolarHBondContact O-N 3.42Å; V668-S671 WeakPolarHBondContact O-CB 3.39Å; V668-S671 PolarHBondContact O-N 2.99Å; E669-S671 VanDerWaalsContact C-N 3.31Å; E669-S671 PolarHBondContact O-N 3.49Å; S671-R674 PolarHBondContact O-N 2.85Å; S671-R675 PolarHBondContact O-N 3.08Å
672V71.4Confident66Low64 Ų6492.6 Ų92.639%0.38846%0.46SS..Hα-helixtrans-60.3-47.6174.7172.40000110.4V668 E669 R674 R675 M676V668-V672 HydrophobicContact CG1-CG2 4.23Å; V668-V672 WeakPolarHBondContact O-CG2 3.4Å; V668-V672 PolarHBondContact O-N 2.99Å; E669-V672 PolarHBondContact O-N 2.93Å; V672-R674 VanDerWaalsContact C-N 3.34Å; V672-R674 PolarHBondContact O-N 3.35Å; V672-R675 PolarHBondContact O-N 3.31Å; V672-R675 VanDerWaalsContact O-N 3.16Å; V672-M676 HydrophobicContact CG1-CE 3.78Å; V672-M676 HydrophobicContact CG1-SD 4.08Å; V672-M676 WeakPolarHBondContact O-CG 3.41Å; V672-M676 PolarHBondContact O-N 2.86Å
673R71Confident63.5Low165 Ų16596.5 Ų96.562%0.62349%0.491SS*.Hα-helixtrans-57.9-43.4175.7-71.4179.4-167.5-177.59.3112.3E669 M676 T677E669-R673 WeakPolarHBondContact O-CG 3.48Å; E669-R673 PolarHBondContact O-N 2.76Å; E669-R673 IonicContact OE2-NH2 3.66Å; R673-M676 PolarHBondContact O-N 3.42Å; R673-T677 PolarHBondContact O-N 2.66Å; R673-T677 PolarHBondContact O-OG1 3.49Å
674R64.6Low61.1Low184 Ų184101 Ų10169%0.69453%0.528SS*.Hα-helixtrans-61.4-43.1175-78.1178.1177.4-172.4-1.3112.9A670 S671 V672 T677 L678A670-R674 WeakPolarHBondContact O-CG 3.34Å; A670-R674 PolarHBondContact O-N 2.86Å; S671-R674 PolarHBondContact O-N 2.85Å; V672-R674 VanDerWaalsContact C-N 3.34Å; V672-R674 PolarHBondContact O-N 3.35Å; R674-T677 WeakPolarHBondContact CA-OG1 2.95Å; R674-T677 PolarHBondContact O-N 3.37Å; R674-T677 PolarHBondContact O-OG1 3.26Å; R674-L678 WeakPolarHBondContact O-CG 3.38Å; R674-L678 PolarHBondContact O-N 2.69Å; R674-L678 VanDerWaalsContact O-N 3.08Å
675R60.9Low58.7Low168 Ų168103.1 Ų103.163%0.63455%0.548SS*.Hα-helixtrans-65.6-37.2176.5-75.7-178.2172.6176.8-2.6112.3S671 V672 L678 R679S671-R675 PolarHBondContact O-N 3.08Å; V672-R675 PolarHBondContact O-N 3.31Å; V672-R675 VanDerWaalsContact O-N 3.16Å; R675-L678 PolarHBondContact O-N 2.68Å; R675-R679 PolarHBondContact O-N 2.99Å; R675-R679 VanDerWaalsContact O-N 3.1Å
676M62.7Low56.6Low126 Ų126108.1 Ų108.162%0.62158%0.579SS**Hα-helixtrans-63.4-46.8173.4-71.9175.117000111.4V672 R673 L678 R679 S680V672-M676 HydrophobicContact CG1-CE 3.78Å; V672-M676 HydrophobicContact CG1-SD 4.08Å; V672-M676 WeakPolarHBondContact O-CG 3.41Å; V672-M676 PolarHBondContact O-N 2.86Å; R673-M676 PolarHBondContact O-N 3.42Å; M676-L678 VanDerWaalsContact C-N 3.27Å; M676-L678 PolarHBondContact O-N 3.12Å; M676-R679 PolarHBondContact O-N 2.91Å; M676-R679 VanDerWaalsContact O-N 3.07Å; M676-S680 PolarHBondContact O-N 2.84Å; M676-S680 VanDerWaalsContact O-N 3.12Å; M676-S680 PolarHBondContact O-OG 3.49Å
677T57.3Low54.5Low85 Ų85108.1 Ų108.152%0.52159%0.589SS.*Hα-helixtrans-62.7-31.4177.248.20000113.6R673 R674 S680R673-T677 PolarHBondContact O-N 2.66Å; R673-T677 PolarHBondContact O-OG1 3.49Å; R674-T677 WeakPolarHBondContact CA-OG1 2.95Å; R674-T677 PolarHBondContact O-N 3.37Å; R674-T677 PolarHBondContact O-OG1 3.26Å; T677-S680 WeakPolarHBondContact CA-OG 3.26Å; T677-S680 PolarHBondContact O-OG 3.47Å
678L46.1Very low52.5Low123 Ų123113.2 Ų113.264%0.64462%0.617SS**Hα-helixtrans-75.3-25174.6-73.9165.2000113.3R674 R675 M676 T681R674-L678 WeakPolarHBondContact O-CG 3.38Å; R674-L678 PolarHBondContact O-N 2.69Å; R674-L678 VanDerWaalsContact O-N 3.08Å; R675-L678 PolarHBondContact O-N 2.68Å; M676-L678 VanDerWaalsContact C-N 3.27Å; M676-L678 PolarHBondContact O-N 3.12Å; L678-T681 PolarHBondContact O-OG1 2.88Å
679R47.1Very low50.4Low220 Ų220117.9 Ų117.983%0.8365%0.648SS**Hα-helixtrans-79.5-25.7172.3-80.5-172.8168-170.6-5113R675 M676 T681R675-R679 PolarHBondContact O-N 2.99Å; R675-R679 VanDerWaalsContact O-N 3.1Å; M676-R679 PolarHBondContact O-N 2.91Å; M676-R679 VanDerWaalsContact O-N 3.07Å; R679-T681 VanDerWaalsContact C-N 3.32Å
680S43.1Very low48.4Very low88 Ų88117.8 Ų117.862%0.61566%0.664SS**Hα-helixtrans-75.4-16.2174.146.30000114.3M676 T677 S682M676-S680 PolarHBondContact O-N 2.84Å; M676-S680 VanDerWaalsContact O-N 3.12Å; M676-S680 PolarHBondContact O-OG 3.49Å; T677-S680 WeakPolarHBondContact CA-OG 3.26Å; T677-S680 PolarHBondContact O-OG 3.47Å; S680-S682 VanDerWaalsContact C-N 3.28Å; S680-S682 PolarHBondContact O-N 3.15Å; S680-S682 VanDerWaalsContact O-N 3.15Å
681T37.1Very low46.6Very low111 Ų111124.4 Ų124.468%0.68169%0.686SS**  trans-88.362.3175.250.10000111.7L678 R679L678-T681 PolarHBondContact O-OG1 2.88Å; R679-T681 VanDerWaalsContact C-N 3.32Å
682S33.3Very low44.6Very low88 Ų88127.9 Ų127.962%0.61571%0.71SS**SBendtrans-108.5140.9160-171.40000107.5S680 A684S680-S682 VanDerWaalsContact C-N 3.28Å; S680-S682 PolarHBondContact O-N 3.15Å; S680-S682 VanDerWaalsContact O-N 3.15Å; S682-A684 PolarHBondContact O-N 3Å
683P36.3Very low42.8Very low126 Ų126130.5 Ų130.582%0.81873%0.732SS**  trans-64.5105.6-175.225.5-34.2000111A685P683-A685 PolarHBondContact O-N 3.2Å
684A36.1Very low40.9Very low97 Ų97131.5 Ų131.580%0.80274%0.743SS**  trans-66.3128.6178.900000110.7S682S682-A684 PolarHBondContact O-N 3Å
685A32.3Very low39.5Very low81 Ų81131.1 Ų131.167%0.66975%0.753SS**  trans-60.2148.1170.300000110.5P683 M687P683-A685 PolarHBondContact O-N 3.2Å; A685-M687 PolarHBondContact O-N 3.36Å; A685-M687 VanDerWaalsContact O-N 3.13Å
686P35.2Very low38.1Very low127 Ų127127.4 Ų127.483%0.82575%0.753SS**  trans-65.7115-17426.2-34.5000111.4
687M35.4Very low36.8Very low183 Ų183128 Ų12890%0.90176%0.759SS**PPolyproline II helixtrans-78.2128.1174.5-70.6-169.370.100111.2A685A685-M687 PolarHBondContact O-N 3.36Å; A685-M687 VanDerWaalsContact O-N 3.13Å
688V33.5Very low35.8Very low131 Ų131131.8 Ų131.879%0.79477%0.77SS**PPolyproline II helixtrans-77.4135.2172.1179.80000109.4
689P32.2Very low35.4Very low122 Ų122131.8 Ų131.879%0.79278%0.778SS**PPolyproline II helixtrans-75.5139.8175.531-34.3000111.6
690A35.9Very low34.8Very low99 Ų99125 Ų12582%0.81878%0.776SS**  trans-132.9153.3172.500000110.4
691H36.1Very low34.4Very low190 Ų190130 Ų13088%0.8879%0.792SS**  trans-86158.9-163.5-88.9-98.5000115.9
692S29.3Very low34.2Very low107 Ų107128.1 Ų128.175%0.74879%0.788SS**  trans-52.3146.4171.950.90000117.1
693S34.3Very low34.1Very low120 Ų120129.7 Ų129.784%0.83979%0.794SS**  trans-151.3150137.7600000110.7
694E30.1Very low33.8Very low185 Ų185130.8 Ų130.886%0.86479%0.793SS**  trans-94.6171-170.6-57.4159.711600113.2
695I34.4Very low33.5Very low176 Ų176132 Ų13290%0.90379%0.791SS**  -163.8147.2129.7-101.2155.1000109.7
696S32.8Very low33.5Very low91 Ų91134 Ų13464%0.63680%0.8SS**  trans-102.7170.8-167.660.20000114.9
697N35.3Very low33.1Very low137 Ų137134.1 Ų134.173%0.73380%0.798SS**  trans151.9140136.1-74.5-8000110.3
698H36.5Very low32.8Very low166 Ų166131.1 Ų131.177%0.76980%0.795SS**  cis-157.3147.3-17.5-131.9-75.2000107.2
699P36.6Very low32.8Very low123 Ų123130.1 Ų130.180%0.79979%0.794SS**  trans-98.5168-171.937.3-35.8000115.2
700G35.6Very low32.6Very low78 Ų78134.4 Ų134.480%0.80480%0.8SS**  trans-136.1136.1173.300000113.6
701M34.7Very low32.4Very low192 Ų192133.4 Ų133.495%0.94680%0.8SS**  trans-91.9173.3-179.3-68.9169.367.900111.7
702A33Very low31.9Very low71 Ų71130.1 Ų130.159%0.58780%0.798SS**  cis-173161.1-33.300000107.9
703T30.8Very low32.1Very low121 Ų121130 Ų13074%0.74280%0.797SS**  trans36.6127.715555.60000119.8
704N30.6Very low31.8Very low149 Ų149135.8 Ų135.880%0.79780%0.801SS**  -168.8174.567.5-119.5-27.8000116.4
705T28.9Very low31.8Very low124 Ų124134.1 Ų134.176%0.76180%0.797SS**  trans-67.6151.4-173550000118.4
706S31.7Very low31.5Very low122 Ų122131.1 Ų131.185%0.85379%0.789SS**  -162.5-177126.660.60000111.4
707T28.2Very low31.3Very low129 Ų129131.4 Ų131.479%0.79179%0.791SS**  trans-129167.3-152.953.10000116.4
708S29.2Very low31Very low120 Ų120132.5 Ų132.584%0.83980%0.796SS**  trans79.9159171.5900000115.9
709S32.4Very low30.8Very low111 Ų111128.8 Ų128.878%0.77679%0.789SS**  cis-144.6-175.13.976.20000113
710K27.8Very low30.9Very low212 Ų212133.3 Ų133.392%0.92279%0.79SS**  trans-69.9132.1-172.5-61.7166.9-178.6170.50112.6
711G31.5Very low31.3Very low78 Ų78134.2 Ų134.280%0.80478%0.777SS**  trans-135.5109.7166.100000111.4
712S26.6Very low31.9Very low120 Ų120132.7 Ų132.784%0.83977%0.767SS**  trans-111.4100.7-176.2167.70000111.8
713S34Very low32.9Very low106 Ų106137.9 Ų137.974%0.74178%0.779SS**  trans-119.1101.2170.847.30000111.2L715S713-L715 PolarHBondContact O-N 3.2Å; S713-L715 VanDerWaalsContact O-N 3.15Å
714R26.5Very low34.7Very low241 Ų241134.3 Ų134.391%0.90976%0.755SS**  trans-75.696170.2-76.8-177.9171.8-175.3-2.3109.9
715L30Very low37Very low150 Ų150131.6 Ų131.679%0.78573%0.734SS**  trans-82.4139.5162-71172000110.1S713 S717S713-L715 PolarHBondContact O-N 3.2Å; S713-L715 VanDerWaalsContact O-N 3.15Å; L715-S717 PolarHBondContact O-N 2.72Å
716P29.3Very low39.7Very low113 Ų113127.4 Ų127.473%0.73471%0.706SS**  trans-72.9111.5-173.328.2-34.2000111.9N718P716-N718 VanDerWaalsContact C-N 3.32Å; P716-N718 PolarHBondContact O-N 2.75Å
717S27.4Very low42.5Very low96 Ų96122.6 Ų122.667%0.67167%0.671SS**  trans-80.965.6-17462.30000113.8L715L715-S717 PolarHBondContact O-N 2.72Å
718N29.3Very low45.5Very low160 Ų160116.5 Ų116.586%0.85663%0.633SS**  trans-97.3-2.8177.9-92.71.4000115.2P716P716-N718 VanDerWaalsContact C-N 3.32Å; P716-N718 PolarHBondContact O-N 2.75Å
719S33.7Very low48.5Very low88 Ų88110.8 Ų110.862%0.61559%0.593SS**SBendtrans-97.6-12.7-176.853.90000115.7D721S719-D721 PolarHBondContact O-N 2.86Å
720R37.3Very low51.2Low218 Ų218109 Ų10982%0.82357%0.572SS**THydrogen-bonded Turntrans-72.9-18.8-172.2-84.1-175170175-3115.7
721D44.3Very low54.2Low97 Ų97100.7 Ų100.752%0.51954%0.537SS..THydrogen-bonded Turntrans-89.3-2.6-171.7-154.173.4000114.9K600 S719 R725K600-D721 IonicContact NZ-OD2 2.66Å; S719-D721 PolarHBondContact O-N 2.86Å; D721-R725 PolarHBondContact O-NE 2.96Å; D721-R725 IonicContact OD2-CZ 3.71Å; D721-R725 IonicContact OD2-NE 3.58Å; D721-R725 IonicContact OD2-NH2 2.79Å; D721-R725 PolarHBondContact OD2-NH2 3.34Å
722Q47.7Very low56.9Low160 Ų160102.6 Ų102.675%0.74852%0.523SS*.SBendtrans-86.6-33.5172.3-79.3180-2700112.9D724Q722-D724 PolarHBondContact O-N 2.93Å
723H53.4Low59.8Low180 Ų180100.5 Ų100.583%0.83350%0.497SS*.THydrogen-bonded Turntrans-76.1-13.9-175.4-91.2-78.6000115.6R725H723-R725 VanDerWaalsContact C-N 3.33Å; H723-R725 PolarHBondContact O-N 2.77Å
724D70Confident62.1Low46 Ų4699.2 Ų99.225%0.24648%0.481CS..THydrogen-bonded Turntrans-97.739.6174.6-169-0.2000111.4S664 A665 R666 Q722S664-D724 WeakPolarHBondContact CA-O 3.49Å; S664-D724 PolarHBondContact OG-OD1 3.11Å; A665-D724 PolarHBondContact N-OD1 3.24Å; R666-D724 VanDerWaalsContact CD-OD2 3.3Å; R666-D724 WeakPolarHBondContact CD-OD2 3.44Å; R666-D724 PolarHBondContact N-OD1 2.89Å; R666-D724 IonicContact NE-OD2 2.71Å; R666-D724 PolarHBondContact NE-OD2 3.33Å; Q722-D724 PolarHBondContact O-N 2.93Å
725R78.5Confident64.7Low92 Ų9291.9 Ų91.935%0.34745%0.453SS..  trans-142.699.8-177.7-56.7-174.4-168.7-163.26.1111.9K600 Y662 V663 D721 H723K600-R725 VanDerWaalsContact CE-CZ 3.42Å; Y662-R725 HydrophobicContact CD1-CB 4.12Å; V663-R725 CarbonylContact O-C 3.56Å; V663-R725 WeakPolarHBondContact O-CA 3.44Å; D721-R725 PolarHBondContact O-NE 2.96Å; D721-R725 IonicContact OD2-CZ 3.71Å; D721-R725 IonicContact OD2-NE 3.58Å; D721-R725 IonicContact OD2-NH2 2.79Å; D721-R725 PolarHBondContact OD2-NH2 3.34Å; H723-R725 VanDerWaalsContact C-N 3.33Å; H723-R725 PolarHBondContact O-N 2.77Å
726M86Confident66.8Low36 Ų3685.3 Ų85.318%0.17742%0.422CS..EExtended strand (participates in β ladder)trans-86.7156.3169.1-56.1-177.580.300110.4I609 N612 Y662 V663 A665 V668I609-M726 HydrophobicContact CG2-CE 3.55Å; I609-M726 HydrophobicContact CG2-SD 4.25Å; N612-M726 WeakPolarHBondContact OD1-CE 3.39Å; Y662-M726 WeakPolarHBondContact CA-O 3.42Å; V663-M726 PolarHBondContact N-O 3.16Å; V663-M726 PolarHBondContact O-N 2.94Å; A665-M726 HydrophobicContact CB-CG 4.23Å; A665-M726 HydrophobicContact CB-SD 4.31Å; V668-M726 HydrophobicContact CB-SD 4.32Å; V668-M726 HydrophobicContact CG2-SD 3.96Å
727L89.4Confident69.3Low22 Ų2280 Ų8012%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-81.5143.2164.7-91.499.9000111.1L598 V610 P616 V619 L660 Y662L598-L727 HydrophobicContact CD1-CD2 4.32Å; V610-L727 HydrophobicContact CB-CB 4.08Å; V610-L727 HydrophobicContact CG2-CB 4.37Å; V610-L727 PolarHBondContact N-O 3.42Å; P616-L727 HydrophobicContact CB-CD2 4.13Å; P616-L727 HydrophobicContact CG-CD1 4.07Å; P616-L727 HydrophobicContact CG-CD2 3.94Å; P616-L727 HydrophobicContact CG-CG 4.48Å; V619-L727 HydrophobicContact CG2-CD2 4.15Å; L660-L727 HydrophobicContact CD2-CD2 4.49Å; Y662-L727 HydrophobicContact CE1-CD1 4.02Å; Y662-L727 HydrophobicContact CE1-CG 4.29Å
728G90.9Very high72Confident0 Ų075.6 Ų75.60%036%0.356CS..EExtended strand (participates in β ladder)trans-138.2156.9167.800000111.9L608 V661L608-G728 CarbonylContact O-C 3.46Å; L608-G728 WeakPolarHBondContact O-CA 3.41Å; V661-G728 WeakPolarHBondContact CG2-O 3.41Å; V661-G728 PolarHBondContact N-O 3.45Å; V661-G728 PolarHBondContact O-N 3.46Å
729I91.9Very high74.6Confident0 Ų068.4 Ų68.40%032%0.318CS..EExtended strand (participates in β ladder)trans-110.9109.4172.4-61.4153.8000106.9V607 L608 V610 V619 I623 L658 L749 L754V607-I729 WeakPolarHBondContact CA-O 3.5Å; L608-I729 PolarHBondContact N-O 3.07Å; L608-I729 PolarHBondContact O-N 2.71Å; V610-I729 HydrophobicContact CG2-CD1 3.52Å; V610-I729 HydrophobicContact CG2-CG1 3.72Å; V619-I729 HydrophobicContact CG1-CD1 4.05Å; V619-I729 HydrophobicContact CG1-CG1 4.26Å; I623-I729 HydrophobicContact CD1-CD1 3.89Å; I623-I729 HydrophobicContact CD1-CG1 4.16Å; I623-I729 HydrophobicContact CD1-CG2 4.49Å; L658-I729 HydrophobicContact CB-CG2 4.3Å; L658-I729 HydrophobicContact CD2-CG2 4.38Å; I729-L749 HydrophobicContact CD1-CD2 3.64Å; I729-L749 HydrophobicContact CG2-CD2 4.19Å; I729-L754 HydrophobicContact CD1-CB 4.37Å; I729-L754 HydrophobicContact CD1-CD1 3.65Å
730K90.4Very high77Confident75 Ų7564.5 Ų64.533%0.32629%0.289SS..EExtended strand (participates in β ladder)trans-83.5116.3176.2-176.9-177.3176.1-170.80109V607 E659 V661V607-K730 HydrophobicContact CG2-CB 4.14Å; V607-K730 HydrophobicContact CG2-CG 4.18Å; E659-K730 HydrophobicContact CB-CB 4.41Å; E659-K730 PolarHBondContact N-O 2.88Å; E659-K730 PolarHBondContact O-N 2.97Å; V661-K730 HydrophobicContact CG1-CB 4.17Å; V661-K730 HydrophobicContact CG2-CB 4.08Å
731M90.8Very high79.4Confident36 Ų3655 Ų5518%0.17725%0.254CS..EExtended strand (participates in β ladder)trans-93.3134.4177.9-56.4166.5-8000109.1N606 L608 E657 L658 Y741 C745 L749N606-M731 WeakPolarHBondContact CB-O 3.47Å; N606-M731 PolarHBondContact O-N 3.31Å; L608-M731 HydrophobicContact CB-CE 4.15Å; E657-M731 CarbonylContact O-C 3.57Å; E657-M731 WeakPolarHBondContact O-CA 3.2Å; L658-M731 HydrophobicContact CD2-CB 4.26Å; L658-M731 HydrophobicContact CD2-CG 3.76Å; M731-Y741 VanDerWaalsContact CB-OH 3.24Å; M731-Y741 WeakPolarHBondContact CB-OH 3.5Å; M731-Y741 PolarHBondContact O-OH 3.34Å; M731-C745 HydrophobicContact SD-CB 3.99Å; M731-L749 HydrophobicContact CG-CD1 4.31Å; M731-L749 HydrophobicContact SD-CD1 3.54Å; M731-L749 VanDerWaalsContact SD-CD1 3.54Å
732K87.6Confident81.4Confident119 Ų11951.9 Ų51.952%0.51724%0.238SC..EExtended strand (participates in β ladder)trans-139.2111.7176.8-178.4-175.4176.3-1750111.6F656 E657 Y741F656-K732 CarbonylContact C-O 3.55Å; F656-K732 VanDerWaalsContact CA-O 3.24Å; F656-K732 WeakPolarHBondContact CA-O 3.35Å; F656-K732 WeakPolarHBondContact CB-O 3.48Å; E657-K732 HydrophobicContact CB-CB 4.29Å; E657-K732 PolarHBondContact N-O 2.95Å; E657-K732 PolarHBondContact O-N 2.65Å; K732-Y741 PolarHBondContact N-OH 3.16Å
733R86.8Confident83.2Confident76 Ų7645.8 Ų45.829%0.28721%0.213SC..EExtended strand (participates in β ladder)trans-61.2140.4165.4-168.6169.466.6137.2-13.4110.7E138 G736 S738 Y741E138-R733 IonicContact OE1-CZ 2.76Å; E138-R733 IonicContact OE1-NH1 2.6Å; E138-R733 PolarHBondContact OE1-NH1 3.47Å; E138-R733 IonicContact OE1-NH2 2.73Å; R733-G736 WeakPolarHBondContact CD-O 3.43Å; R733-G736 PolarHBondContact NH1-O 2.92Å; R733-S738 PolarHBondContact NH1-OG 3.48Å; R733-S738 VanDerWaalsContact NH1-OG 3.12Å; R733-S738 PolarHBondContact NH2-OG 2.75Å; R733-Y741 HydrophobicContact CB-CD1 3.93Å; R733-Y741 HydrophobicContact CB-CD2 3.96Å; R733-Y741 HydrophobicContact CB-CE1 3.89Å; R733-Y741 HydrophobicContact CB-CE2 3.92Å; R733-Y741 HydrophobicContact CB-CG 3.95Å; R733-Y741 HydrophobicContact CG-CD1 4.27Å; R733-Y741 HydrophobicContact CG-CD2 4.26Å; R733-Y741 HydrophobicContact CG-CG 4.02Å; R733-Y741 PolarHBondContact N-OH 3.15Å
734I83.5Confident84.9Confident79 Ų7937.7 Ų37.741%0.40518%0.176SC..EExtended strand (participates in β ladder)trans-120.7-41.7177.7-56.9162.5000110.6L642 S655 E657L642-I734 HydrophobicContact CD1-CD1 3.41Å; L642-I734 VanDerWaalsContact CD1-CD1 3.41Å; S655-I734 WeakPolarHBondContact O-CA 3.16Å; S655-I734 WeakPolarHBondContact O-CB 3.37Å; S655-I734 PolarHBondContact O-N 2.83Å; E657-I734 HydrophobicContact CB-CD1 4.3Å; E657-I734 HydrophobicContact CG-CD1 3.87Å; E657-I734 WeakPolarHBondContact OE1-CD1 3.49Å
735R80.1Confident85.8Confident86 Ų8635.7 Ų35.733%0.32517%0.165SC..EExtended strand (participates in β ladder)trans-152146.9179.1-171-173.8-173.890.53.2109.9F168 C169 T652 L654 S655F168-R735 PolarHBondContact O-NH2 2.93Å; C169-R735 PolarHBondContact SG-NH2 3.2Å; T652-R735 PolarHBondContact O-NE 3.01Å; T652-R735 VanDerWaalsContact O-NE 3.13Å; L654-R735 WeakPolarHBondContact CA-O 3.42Å; L654-R735 WeakPolarHBondContact CD1-O 3.14Å; S655-R735 PolarHBondContact N-O 2.96Å; S655-R735 PolarHBondContact O-N 2.85Å; S655-R735 VanDerWaalsContact O-N 3.09Å
736G75.4Confident86.2Confident13 Ų1337.8 Ų37.813%0.13417%0.174CC..SBendtrans95.7-178.3174.700000113.5R733R733-G736 WeakPolarHBondContact CD-O 3.43Å; R733-G736 PolarHBondContact NH1-O 2.92Å
737D81.7Confident86.4Confident1 Ų138.6 Ų38.61%0.00518%0.18CC..  trans-64.9147.6-171.8169.4-111.5000114.3S171 A173 Y174 L207 F739 M740 Y741S171-D737 WeakPolarHBondContact OG-CA 3.44Å; A173-D737 HydrophobicContact CB-CB 4.26Å; Y174-D737 WeakPolarHBondContact CE2-OD2 3.47Å; Y174-D737 VanDerWaalsContact CZ-OD2 3.3Å; Y174-D737 PolarHBondContact OH-OD2 3.46Å; L207-D737 WeakPolarHBondContact CD1-OD1 3.4Å; D737-F739 WeakPolarHBondContact OD1-CA 3.31Å; D737-F739 WeakPolarHBondContact OD1-CB 3.49Å; D737-F739 PolarHBondContact OD1-N 3.27Å; D737-F739 PolarHBondContact OD2-N 2.9Å; D737-M740 PolarHBondContact OD1-N 3.37Å; D737-Y741 WeakPolarHBondContact O-CB 3.49Å; D737-Y741 PolarHBondContact O-N 2.71Å
738S82.8Confident86.5Confident4 Ų437.6 Ų37.63%0.02818%0.175CC..Hα-helixtrans-71.4-39176.7-70.70000114.1E138 R733 T742E138-S738 VanDerWaalsContact CG-OG 3.3Å; E138-S738 WeakPolarHBondContact CG-OG 3.4Å; E138-S738 PolarHBondContact OE1-OG 3.46Å; R733-S738 PolarHBondContact NH1-OG 3.48Å; R733-S738 VanDerWaalsContact NH1-OG 3.12Å; R733-S738 PolarHBondContact NH2-OG 2.75Å; S738-T742 VanDerWaalsContact O-CB 3.3Å; S738-T742 WeakPolarHBondContact O-CB 3.4Å; S738-T742 PolarHBondContact O-N 2.95Å; S738-T742 PolarHBondContact O-OG1 2.84Å
739F84.4Confident86.4Confident9 Ų937.9 Ų37.94%0.03918%0.177CC..Hα-helixtrans-67.9-51.9179.9-82.5-73.7000111.6F97 I100 L101 P137 Y174 A201 G205 L207 D737 Y741 T742 S743F97-F739 AromaticContact CD2-CD2 3.92Å; F97-F739 HydrophobicContact CD2-CD2 3.92Å; F97-F739 AromaticContact CD2-CE2 3.64Å; F97-F739 HydrophobicContact CD2-CE2 3.64Å; F97-F739 HydrophobicContact CD2-CG 4.46Å; F97-F739 AromaticContact CD2-CZ 3.95Å; F97-F739 HydrophobicContact CD2-CZ 3.95Å; F97-F739 HydrophobicContact CE2-CB 4.45Å; F97-F739 AromaticContact CE2-CD1 3.85Å; F97-F739 HydrophobicContact CE2-CD1 3.85Å; F97-F739 AromaticContact CE2-CD2 3.63Å; F97-F739 HydrophobicContact CE2-CD2 3.63Å; F97-F739 AromaticContact CE2-CE1 3.88Å; F97-F739 HydrophobicContact CE2-CE1 3.88Å; F97-F739 AromaticContact CE2-CE2 3.66Å; F97-F739 HydrophobicContact CE2-CE2 3.66Å; F97-F739 AromaticContact CE2-CG 3.72Å; F97-F739 HydrophobicContact CE2-CG 3.72Å; F97-F739 AromaticContact CE2-CZ 3.78Å; F97-F739 HydrophobicContact CE2-CZ 3.78Å; I100-F739 HydrophobicContact CB-CZ 4.27Å; I100-F739 HydrophobicContact CD1-CZ 4.38Å; I100-F739 HydrophobicContact CG2-CE1 4.31Å; I100-F739 HydrophobicContact CG2-CZ 3.82Å; L101-F739 HydrophobicContact CD2-CE1 4.2Å; P137-F739 HydrophobicContact CG-CE2 4.39Å; Y174-F739 WeakPolarHBondContact OH-CD2 3.22Å; A201-F739 HydrophobicContact CB-CE2 3.8Å; A201-F739 HydrophobicContact CB-CZ 4.04Å; G205-F739 WeakPolarHBondContact O-CE1 3.43Å; L207-F739 HydrophobicContact CD1-CB 3.83Å; L207-F739 HydrophobicContact CD2-CB 4.42Å; L207-F739 HydrophobicContact CD2-CD2 4.17Å; L207-F739 HydrophobicContact CG-CB 3.69Å; L207-F739 HydrophobicContact CG-CD2 4.27Å; L207-F739 HydrophobicContact CG-CG 4.16Å; D737-F739 WeakPolarHBondContact OD1-CA 3.31Å; D737-F739 WeakPolarHBondContact OD1-CB 3.49Å; D737-F739 PolarHBondContact OD1-N 3.27Å; D737-F739 PolarHBondContact OD2-N 2.9Å; F739-Y741 VanDerWaalsContact C-N 3.31Å; F739-Y741 PolarHBondContact O-N 3.35Å; F739-T742 CarbonylContact O-C 3.43Å; F739-T742 PolarHBondContact O-N 3.24Å; F739-S743 VanDerWaalsContact O-CB 3.3Å; F739-S743 WeakPolarHBondContact O-CB 3.32Å; F739-S743 PolarHBondContact O-N 3.03Å
740M84.3Confident86.3Confident5 Ų541.2 Ų41.23%0.02519%0.194CC..Hα-helixtrans-59.9-40.5175.7-69-150.5-56.600111.9L207 P211 P214 L217 D737 T742 S743 L744L207-M740 HydrophobicContact CD1-CG 3.79Å; P211-M740 HydrophobicContact CG-SD 4.44Å; P214-M740 HydrophobicContact CB-CE 3.8Å; P214-M740 HydrophobicContact CB-SD 4.41Å; P214-M740 HydrophobicContact CG-CE 4.12Å; P214-M740 HydrophobicContact CG-SD 4.38Å; L217-M740 HydrophobicContact CD2-CE 3.65Å; L217-M740 HydrophobicContact CD2-SD 3.87Å; D737-M740 PolarHBondContact OD1-N 3.37Å; M740-T742 VanDerWaalsContact C-N 3.32Å; M740-T742 PolarHBondContact O-N 3.14Å; M740-S743 PolarHBondContact O-N 3.09Å; M740-L744 VanDerWaalsContact O-CB 3.32Å; M740-L744 WeakPolarHBondContact O-CB 3.04Å; M740-L744 WeakPolarHBondContact O-CG 3.32Å; M740-L744 PolarHBondContact O-N 2.9Å
741Y87.7Confident86.3Confident20 Ų2041.1 Ų41.18%0.07820%0.197CC..Hα-helixtrans-55.9-46.7171.3161-110.4000111.7F656 M731 K732 R733 D737 F739 C745F656-Y741 HydrophobicContact CB-CD2 3.66Å; F656-Y741 HydrophobicContact CB-CE2 3.62Å; F656-Y741 AromaticContact CD1-CD2 3.97Å; F656-Y741 HydrophobicContact CD1-CD2 3.97Å; F656-Y741 AromaticContact CG-CD2 3.87Å; F656-Y741 HydrophobicContact CG-CD2 3.87Å; F656-Y741 HydrophobicContact CG-CE2 4.05Å; M731-Y741 VanDerWaalsContact CB-OH 3.24Å; M731-Y741 WeakPolarHBondContact CB-OH 3.5Å; M731-Y741 PolarHBondContact O-OH 3.34Å; K732-Y741 PolarHBondContact N-OH 3.16Å; R733-Y741 HydrophobicContact CB-CD1 3.93Å; R733-Y741 HydrophobicContact CB-CD2 3.96Å; R733-Y741 HydrophobicContact CB-CE1 3.89Å; R733-Y741 HydrophobicContact CB-CE2 3.92Å; R733-Y741 HydrophobicContact CB-CG 3.95Å; R733-Y741 HydrophobicContact CG-CD1 4.27Å; R733-Y741 HydrophobicContact CG-CD2 4.26Å; R733-Y741 HydrophobicContact CG-CG 4.02Å; R733-Y741 PolarHBondContact N-OH 3.15Å; D737-Y741 WeakPolarHBondContact O-CB 3.49Å; D737-Y741 PolarHBondContact O-N 2.71Å; F739-Y741 VanDerWaalsContact C-N 3.31Å; F739-Y741 PolarHBondContact O-N 3.35Å; Y741-C745 VanDerWaalsContact CE2-SG 3.53Å; Y741-C745 VanDerWaalsContact O-CB 3.32Å; Y741-C745 WeakPolarHBondContact O-CB 3.31Å; Y741-C745 PolarHBondContact O-N 3.45Å; Y741-C745 PolarHBondContact O-SG 3.12Å; Y741-C745 VanDerWaalsContact O-SG 3.37Å
742T86Confident86.3Confident30 Ų3039.9 Ų39.918%0.18419%0.193CC..Hα-helixtrans-71-39.1-178.3-57.50000111.7L101 S738 F739 M740 R746L101-T742 HydrophobicContact CD1-CG2 4.28Å; L101-T742 HydrophobicContact CD2-CG2 4.31Å; S738-T742 VanDerWaalsContact O-CB 3.3Å; S738-T742 WeakPolarHBondContact O-CB 3.4Å; S738-T742 PolarHBondContact O-N 2.95Å; S738-T742 PolarHBondContact O-OG1 2.84Å; F739-T742 CarbonylContact O-C 3.43Å; F739-T742 PolarHBondContact O-N 3.24Å; M740-T742 VanDerWaalsContact C-N 3.32Å; M740-T742 PolarHBondContact O-N 3.14Å; T742-R746 WeakPolarHBondContact O-CB 3.44Å; T742-R746 PolarHBondContact O-N 3.29Å
743S85.9Confident86.4Confident32 Ų3236 Ų3622%0.22419%0.186CC..Hα-helixtrans-64-46.3177.1-162.40000111D210 F739 M740 R746 T747D210-S743 WeakPolarHBondContact OD2-CB 3.4Å; D210-S743 PolarHBondContact OD2-OG 3.01Å; F739-S743 VanDerWaalsContact O-CB 3.3Å; F739-S743 WeakPolarHBondContact O-CB 3.32Å; F739-S743 PolarHBondContact O-N 3.03Å; M740-S743 PolarHBondContact O-N 3.09Å; S743-R746 PolarHBondContact O-N 3.03Å; S743-T747 WeakPolarHBondContact O-CB 3.38Å; S743-T747 PolarHBondContact O-N 3.39Å; S743-T747 PolarHBondContact O-OG1 3.37Å
744L88Confident86.3Confident10 Ų1032.3 Ų32.35%0.05217%0.172CC..Hα-helixtrans-70-44.1175.9-74.7162.9000112.6P214 F645 L654 F656 M740 R746 T747 I748P214-L744 HydrophobicContact CG-CD1 3.6Å; F645-L744 HydrophobicContact CE2-CD1 3.83Å; F645-L744 HydrophobicContact CZ-CD1 3.92Å; F645-L744 HydrophobicContact CZ-CD2 4.12Å; L654-L744 HydrophobicContact CD2-CD1 3.38Å; F656-L744 HydrophobicContact CE1-CB 4.35Å; F656-L744 HydrophobicContact CZ-CB 4.4Å; M740-L744 VanDerWaalsContact O-CB 3.32Å; M740-L744 WeakPolarHBondContact O-CB 3.04Å; M740-L744 WeakPolarHBondContact O-CG 3.32Å; M740-L744 PolarHBondContact O-N 2.9Å; L744-R746 VanDerWaalsContact C-N 3.31Å; L744-R746 PolarHBondContact O-N 3.26Å; L744-T747 PolarHBondContact O-N 3.25Å; L744-I748 WeakPolarHBondContact O-CB 3.22Å; L744-I748 VanDerWaalsContact O-CD1 3.32Å; L744-I748 WeakPolarHBondContact O-CD1 3.33Å; L744-I748 WeakPolarHBondContact O-CG1 3.49Å; L744-I748 PolarHBondContact O-N 3.17Å
745C90.2Very high85.9Confident4 Ų434.2 Ų34.23%0.02717%0.174CC..Hα-helixtrans-60.7-41.2174.7-760000111.8M731 Y741 L749M731-C745 HydrophobicContact SD-CB 3.99Å; Y741-C745 VanDerWaalsContact CE2-SG 3.53Å; Y741-C745 VanDerWaalsContact O-CB 3.32Å; Y741-C745 WeakPolarHBondContact O-CB 3.31Å; Y741-C745 PolarHBondContact O-N 3.45Å; Y741-C745 PolarHBondContact O-SG 3.12Å; Y741-C745 VanDerWaalsContact O-SG 3.37Å; C745-L749 WeakPolarHBondContact O-CB 3.27Å; C745-L749 WeakPolarHBondContact O-CD1 3.3Å; C745-L749 WeakPolarHBondContact O-CG 3.16Å; C745-L749 PolarHBondContact O-N 3.44Å; C745-L749 VanDerWaalsContact O-N 3.11Å
746R87.2Confident85.3Confident137 Ų13731.8 Ų31.852%0.51717%0.171SC..Hα-helixtrans-56.7-56.2171.7179178.8-62.8170.6-0.3110.6T742 S743 L744 I748 L749 D750T742-R746 WeakPolarHBondContact O-CB 3.44Å; T742-R746 PolarHBondContact O-N 3.29Å; S743-R746 PolarHBondContact O-N 3.03Å; L744-R746 VanDerWaalsContact C-N 3.31Å; L744-R746 PolarHBondContact O-N 3.26Å; R746-I748 PolarHBondContact O-N 3.12Å; R746-L749 PolarHBondContact O-N 3.39Å; R746-D750 WeakPolarHBondContact CG-OD2 3.33Å; R746-D750 VanDerWaalsContact O-CB 3.31Å; R746-D750 WeakPolarHBondContact O-CB 3.39Å; R746-D750 PolarHBondContact O-N 3.14Å
747T89Confident84.4Confident52 Ų5240.7 Ų40.732%0.31921%0.209SC..Hα-helixtrans-55.9-45.4-178.8-59.30000112.8S743 L744 L751S743-T747 WeakPolarHBondContact O-CB 3.38Å; S743-T747 PolarHBondContact O-N 3.39Å; S743-T747 PolarHBondContact O-OG1 3.37Å; L744-T747 PolarHBondContact O-N 3.25Å; T747-L751 HydrophobicContact CG2-CD1 3.86Å; T747-L751 VanDerWaalsContact O-CB 3.3Å; T747-L751 WeakPolarHBondContact O-CB 3.44Å; T747-L751 WeakPolarHBondContact O-CD1 3.28Å; T747-L751 VanDerWaalsContact O-CG 3.23Å; T747-L751 WeakPolarHBondContact O-CG 3.47Å; T747-L751 PolarHBondContact O-N 2.95Å
748I91.2Very high82.5Confident1 Ų150.2 Ų50.21%0.00526%0.26CS..Hα-helixtrans-64.2-44.6179-65.7158000111.5I623 A626 L627 I632 F656 L658 L744 R746 A752I623-I748 HydrophobicContact CG2-CG2 4.38Å; A626-I748 HydrophobicContact CB-CG2 4.3Å; L627-I748 HydrophobicContact CD2-CD1 3.77Å; L627-I748 HydrophobicContact CD2-CG1 4.14Å; L627-I748 HydrophobicContact CD2-CG2 4.1Å; L627-I748 HydrophobicContact CG-CG2 4.35Å; I632-I748 HydrophobicContact CD1-CD1 3.74Å; I632-I748 HydrophobicContact CD1-CG1 3.87Å; F656-I748 HydrophobicContact CE2-CD1 4Å; F656-I748 HydrophobicContact CZ-CD1 3.73Å; L658-I748 HydrophobicContact CD1-CG2 4.17Å; L744-I748 WeakPolarHBondContact O-CB 3.22Å; L744-I748 VanDerWaalsContact O-CD1 3.32Å; L744-I748 WeakPolarHBondContact O-CD1 3.33Å; L744-I748 WeakPolarHBondContact O-CG1 3.49Å; L744-I748 PolarHBondContact O-N 3.17Å; R746-I748 PolarHBondContact O-N 3.12Å; I748-A752 VanDerWaalsContact O-CB 3.23Å; I748-A752 WeakPolarHBondContact O-CB 3.17Å; I748-A752 PolarHBondContact O-N 3.43Å
749L90.4Very high82.5Confident6 Ų652.6 Ų52.63%0.03127%0.271CS..Hα-helixtrans-76.8-27.7-174.8-64.6169.4000112.6L608 I729 M731 C745 R746 G753 L754L608-L749 HydrophobicContact CB-CD1 4.46Å; L608-L749 HydrophobicContact CD2-CB 3.99Å; L608-L749 HydrophobicContact CD2-CD1 3.81Å; L608-L749 HydrophobicContact CD2-CD2 4.22Å; L608-L749 HydrophobicContact CD2-CG 4.22Å; I729-L749 HydrophobicContact CD1-CD2 3.64Å; I729-L749 HydrophobicContact CG2-CD2 4.19Å; M731-L749 HydrophobicContact CG-CD1 4.31Å; M731-L749 HydrophobicContact SD-CD1 3.54Å; M731-L749 VanDerWaalsContact SD-CD1 3.54Å; C745-L749 WeakPolarHBondContact O-CB 3.27Å; C745-L749 WeakPolarHBondContact O-CD1 3.3Å; C745-L749 WeakPolarHBondContact O-CG 3.16Å; C745-L749 PolarHBondContact O-N 3.44Å; C745-L749 VanDerWaalsContact O-N 3.11Å; R746-L749 PolarHBondContact O-N 3.39Å; L749-G753 PolarHBondContact O-N 2.78Å; L749-L754 HydrophobicContact CD2-CD1 4.08Å; L749-L754 PolarHBondContact O-N 3.22Å
750D89.1Confident82.4Confident70 Ų7054.8 Ų54.837%0.37428%0.284SS..Hα-helixtrans-76.8-44.9175.4-63.2-12.8000110.5R746 A752 G753 R755R746-D750 WeakPolarHBondContact CG-OD2 3.33Å; R746-D750 VanDerWaalsContact O-CB 3.31Å; R746-D750 WeakPolarHBondContact O-CB 3.39Å; R746-D750 PolarHBondContact O-N 3.14Å; D750-A752 VanDerWaalsContact C-N 3.28Å; D750-A752 PolarHBondContact O-N 3.18Å; D750-G753 PolarHBondContact O-N 3.29Å; D750-G753 VanDerWaalsContact O-N 3.08Å; D750-R755 IonicContact OD1-CZ 3.61Å; D750-R755 IonicContact OD1-NE 2.57Å; D750-R755 PolarHBondContact OD1-NE 2.96Å; D750-R755 IonicContact OD1-NH2 2.72Å; D750-R755 PolarHBondContact OD1-NH2 2.86Å; D750-R755 IonicContact OD2-CZ 2.7Å; D750-R755 IonicContact OD2-NH2 2.69Å; D750-R755 PolarHBondContact OD2-NH2 3.07Å
751L91.2Very high82.3Confident73 Ų7357.6 Ų57.638%0.38230%0.298SS..Hα-helixtrans-60.6-35.5171.6-76.3168.9000113.1A626 Q630 T747 G753A626-L751 HydrophobicContact CB-CB 4Å; Q630-L751 HydrophobicContact CG-CD1 3.55Å; Q630-L751 VanDerWaalsContact NE2-CD1 3.26Å; T747-L751 HydrophobicContact CG2-CD1 3.86Å; T747-L751 VanDerWaalsContact O-CB 3.3Å; T747-L751 WeakPolarHBondContact O-CB 3.44Å; T747-L751 WeakPolarHBondContact O-CD1 3.28Å; T747-L751 VanDerWaalsContact O-CG 3.23Å; T747-L751 WeakPolarHBondContact O-CG 3.47Å; T747-L751 PolarHBondContact O-N 2.95Å; L751-G753 PolarHBondContact O-N 3.34Å
752A91Very high82Confident10 Ų1059.8 Ų59.88%0.08331%0.311CS..THydrogen-bonded Turntrans-75.2-11.4177.300000113.3Q622 A626 I748 D750 L754Q622-A752 HydrophobicContact CB-CB 4.19Å; Q622-A752 PolarHBondContact OE1-O 3.24Å; A626-A752 HydrophobicContact CB-CB 3.99Å; I748-A752 VanDerWaalsContact O-CB 3.23Å; I748-A752 WeakPolarHBondContact O-CB 3.17Å; I748-A752 PolarHBondContact O-N 3.43Å; D750-A752 VanDerWaalsContact C-N 3.28Å; D750-A752 PolarHBondContact O-N 3.18Å; A752-L754 HydrophobicContact CB-CD1 3.41Å; A752-L754 VanDerWaalsContact CB-CD1 3.41Å; A752-L754 HydrophobicContact CB-CG 3.65Å
753G89Confident81.7Confident37 Ų3761.7 Ų61.738%0.38132%0.319SS..THydrogen-bonded Turntrans65.239.5177.600000113.9R611 L749 D750 L751R611-G753 PolarHBondContact NE-O 3.48Å; R611-G753 PolarHBondContact NH2-O 3.07Å; L749-G753 PolarHBondContact O-N 2.78Å; D750-G753 PolarHBondContact O-N 3.29Å; D750-G753 VanDerWaalsContact O-N 3.08Å; L751-G753 PolarHBondContact O-N 3.34Å
754L85.1Confident81.5Confident0 Ų063.7 Ų63.70%033%0.325CS..  trans-100.4-15.1-166.5-67.6171000115.7V610 R611 L614 V619 Q622 I623 I729 L749 A752V610-L754 WeakPolarHBondContact CA-O 3.48Å; V610-L754 HydrophobicContact CG1-CB 4.44Å; V610-L754 HydrophobicContact CG1-CD2 4.17Å; V610-L754 WeakPolarHBondContact CG1-O 3.38Å; R611-L754 PolarHBondContact N-O 3.28Å; R611-L754 VanDerWaalsContact N-O 3.15Å; L614-L754 HydrophobicContact CD1-CD2 3.61Å; V619-L754 HydrophobicContact CB-CD2 4.33Å; V619-L754 HydrophobicContact CG1-CD1 4.4Å; V619-L754 HydrophobicContact CG1-CD2 4.04Å; V619-L754 HydrophobicContact CG2-CD2 4.23Å; Q622-L754 HydrophobicContact CB-CD2 4.24Å; I623-L754 HydrophobicContact CD1-CD1 4.1Å; I623-L754 HydrophobicContact CG1-CD1 3.49Å; I623-L754 VanDerWaalsContact CG1-CD1 3.49Å; I729-L754 HydrophobicContact CD1-CB 4.37Å; I729-L754 HydrophobicContact CD1-CD1 3.65Å; L749-L754 HydrophobicContact CD2-CD1 4.08Å; L749-L754 PolarHBondContact O-N 3.22Å; A752-L754 HydrophobicContact CB-CD1 3.41Å; A752-L754 VanDerWaalsContact CB-CD1 3.41Å; A752-L754 HydrophobicContact CB-CG 3.65Å
755R75.3Confident81Confident119 Ų11967.5 Ų67.545%0.44935%0.345SS..BIsolated β-bridgetrans-65142.3-175-61-160.7-171-164.915.6112.2L608 D750L608-R755 HydrophobicContact CD1-CG 4.27Å; L608-R755 HydrophobicContact CD2-CG 4.18Å; D750-R755 IonicContact OD1-CZ 3.61Å; D750-R755 IonicContact OD1-NE 2.57Å; D750-R755 PolarHBondContact OD1-NE 2.96Å; D750-R755 IonicContact OD1-NH2 2.72Å; D750-R755 PolarHBondContact OD1-NH2 2.86Å; D750-R755 IonicContact OD2-CZ 2.7Å; D750-R755 IonicContact OD2-NH2 2.69Å; D750-R755 PolarHBondContact OD2-NH2 3.07Å
756S66.8Low80.3Confident35 Ų3572.4 Ų72.425%0.24537%0.369CS..  trans-65.4147.4154.4172.10000110.1N758S756-N758 WeakPolarHBondContact CB-O 3.31Å; S756-N758 PolarHBondContact O-N 3.22Å; S756-N758 PolarHBondContact OG-N 3.32Å; S756-N758 VanDerWaalsContact OG-N 3.07Å; S756-N758 PolarHBondContact OG-O 3.44Å
757E56.5Low79.7Confident199 Ų19967 Ų6793%0.9336%0.357SS*.  trans-74.1-11.6170.3-62.5-178.914200112.7
758N41.9Very low78.9Confident202 Ų20268.4 Ų68.4100%1.0836%0.36SS*.  trans-118.90176.1-59.5-90.9000111.5S756S756-N758 WeakPolarHBondContact CB-O 3.31Å; S756-N758 PolarHBondContact O-N 3.22Å; S756-N758 PolarHBondContact OG-N 3.32Å; S756-N758 VanDerWaalsContact OG-N 3.07Å; S756-N758 PolarHBondContact OG-O 3.44Å

Retrieved 758 of 758 residues in 836.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).