A0A087XGE0_POEFO Loading...

Signal peptide peptidase-like 2B

AlphaFold DB , UniProt , Accession A0A087XGE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26Very low40.7Very low216 Ų216107.3 Ų107.3100%1.06455%0.546SS*.  084.20-176.3173.6179.800107.4F3M1-F3 HydrophobicContact CG-CD2 3.99Å; M1-F3 HydrophobicContact CG-CE2 4.22Å
2F26.3Very low44.1Very low193 Ų19398.3 Ų98.385%0.84650%0.501SS*.  trans-113.5106175.8-80.8-82.6000106.8
3F29.9Very low47.3Very low133 Ų13390.8 Ų90.858%0.58346%0.462SS*.  trans-125.883.2178.5-80.8-98.5000108.2M1 L5 M450M1-F3 HydrophobicContact CG-CD2 3.99Å; M1-F3 HydrophobicContact CG-CE2 4.22Å; F3-L5 PolarHBondContact O-N 3.01Å; F3-M450 HydrophobicContact CD1-SD 4.13Å; F3-M450 HydrophobicContact CE1-CE 3.58Å; F3-M450 HydrophobicContact CE1-SD 3.49Å; F3-M450 WeakPolarHBondContact CE1-SD 3.49Å; F3-M450 HydrophobicContact CZ-CE 3.72Å; F3-M450 HydrophobicContact CZ-SD 4.25Å
4C27.1Very low50.3Low97 Ų9784.3 Ų84.366%0.65543%0.429SS*.  trans-78.797.9165.2-69.30000108Q6C4-Q6 PolarHBondContact O-N 3.28Å
5L29.7Very low53Low154 Ų15480.2 Ų80.281%0.80641%0.408SS*.  trans-73.873.8174.2-102.6151.3000110.3F3F3-L5 PolarHBondContact O-N 3.01Å
6Q30.8Very low55.3Low97 Ų9775.2 Ų75.245%0.45338%0.382SS..  trans-87.9105.8171.3-173.7172.9-12.300108.5C4 V8 G356 M452C4-Q6 PolarHBondContact O-N 3.28Å; Q6-V8 PolarHBondContact O-N 2.83Å; Q6-G356 PolarHBondContact NE2-O 2.88Å; Q6-M452 HydrophobicContact CB-CE 3.99Å; Q6-M452 VanDerWaalsContact O-CE 3.27Å; Q6-M452 WeakPolarHBondContact O-CE 3.41Å
7V36.7Very low57.4Low70 Ų7071.3 Ų71.342%0.42436%0.364SS..  trans-81.4103.4-169.5-175.40000111.4
8V44.6Very low59.1Low73 Ų7368.9 Ų68.944%0.44235%0.352SS..  trans-78.6159.8175.2-179.20000110.7Q6 M452Q6-V8 PolarHBondContact O-N 2.83Å; V8-M452 HydrophobicContact CB-SD 4.37Å; V8-M452 HydrophobicContact CG2-CE 3.99Å; V8-M452 HydrophobicContact CG2-SD 3.52Å; V8-M452 VanDerWaalsContact CG2-SD 3.52Å
9G51.3Low60Low9 Ų968.8 Ų68.89%0.09336%0.362CS..  trans-71.2158.8173.900000113.3F30G9-F30 VanDerWaalsContact C-CZ 3.43Å; G9-F30 WeakPolarHBondContact O-CZ 3.14Å
10E69.9Low60.5Low82 Ų8269.8 Ų69.838%0.38339%0.389SS..EExtended strand (participates in β ladder)trans-107.4149.6-176.2-72.3169.9-146.300111F30 F31 S33E10-F30 WeakPolarHBondContact O-CD2 3.18Å; E10-F31 HydrophobicContact CB-CD1 4.1Å; E10-F31 HydrophobicContact CB-CE1 3.55Å; E10-F31 HydrophobicContact CB-CE2 4.36Å; E10-F31 HydrophobicContact CB-CZ 3.68Å; E10-F31 PolarHBondContact N-O 3.04Å; E10-F31 VanDerWaalsContact O-CD1 3.23Å; E10-F31 WeakPolarHBondContact O-CD1 3.48Å; E10-F31 PolarHBondContact O-N 3.36Å; E10-F31 WeakPolarHBondContact OE2-CZ 3.27Å; E10-S33 WeakPolarHBondContact OE1-CB 3.21Å; E10-S33 PolarHBondContact OE1-OG 2.89Å; E10-S33 WeakPolarHBondContact OE2-CB 3.46Å
11H75.4Confident61Low56 Ų5672.6 Ų72.626%0.25940%0.398SS..EExtended strand (participates in β ladder)trans-92.5138174-56.885.6000109.5F30 L390 C393H11-F30 AromaticContact CD2-CD2 3.57Å; H11-F30 AromaticContact CD2-CE2 3.79Å; H11-F30 AromaticContact CE1-CE2 3.63Å; H11-F30 AromaticContact CG-CD2 3.94Å; H11-F30 AromaticContact CG-CE2 3.98Å; H11-F30 AromaticContact ND1-CE2 3.89Å; H11-F30 AromaticContact NE2-CD2 3.77Å; H11-F30 AromaticContact NE2-CE2 3.56Å; H11-L390 HydrophobicContact CB-CD1 4.48Å; H11-L390 HydrophobicContact CB-CD2 4.14Å; H11-L390 HydrophobicContact CB-CG 4.22Å; H11-C393 HydrophobicContact CB-CB 4.07Å
12G81.5Confident62.8Low0 Ų067.8 Ų67.80%039%0.385CS..EExtended strand (participates in β ladder)trans-138179.8175.600000111.1I29 C393G12-I29 PolarHBondContact N-O 2.98Å; G12-I29 VanDerWaalsContact O-CG1 3.28Å; G12-I29 WeakPolarHBondContact O-CG1 3.38Å; G12-I29 PolarHBondContact O-N 3.01Å; G12-I29 VanDerWaalsContact O-O 3.12Å; G12-C393 PolarHBondContact O-SG 3.37Å
13M85.8Confident64.9Low0 Ų064.8 Ų64.80%038%0.378CS..EExtended strand (participates in β ladder)trans-113.3140178-72-70.5103.600111.1D26 C28 M146 Y147 P389 L390 L392 C393M13-D26 HydrophobicContact SD-CB 3.86Å; M13-C28 HydrophobicContact CE-CB 4.42Å; M13-M146 WeakPolarHBondContact O-CA 3.4Å; M13-Y147 HydrophobicContact CB-CD1 3.72Å; M13-Y147 HydrophobicContact CB-CD2 4.4Å; M13-Y147 HydrophobicContact CB-CE1 3.31Å; M13-Y147 HydrophobicContact CB-CE2 4.05Å; M13-Y147 HydrophobicContact CB-CG 4.25Å; M13-Y147 HydrophobicContact CG-CE1 4.17Å; M13-Y147 HydrophobicContact CG-CE2 4.24Å; M13-Y147 PolarHBondContact N-O 2.94Å; M13-Y147 PolarHBondContact O-N 3.45Å; M13-P389 WeakPolarHBondContact CE-O 3.38Å; M13-P389 HydrophobicContact CG-CB 3.85Å; M13-P389 HydrophobicContact CG-CG 3.97Å; M13-P389 VanDerWaalsContact SD-C 3.54Å; M13-P389 HydrophobicContact SD-CB 3.69Å; M13-P389 HydrophobicContact SD-CG 4.44Å; M13-L390 HydrophobicContact CE-CD1 4.2Å; M13-L390 HydrophobicContact CG-CD1 4.3Å; M13-L392 HydrophobicContact CE-CB 4.36Å; M13-L392 HydrophobicContact SD-CD1 4.36Å; M13-C393 HydrophobicContact CE-CB 4.45Å; M13-C393 WeakPolarHBondContact CE-SG 3.45Å
14A89.4Confident67.4Low0 Ų059.9 Ų59.90%037%0.365CS..EExtended strand (participates in β ladder)trans-111.6111.816300000108.7F16 Y27 I29 V144 M146A14-F16 HydrophobicContact CB-CD2 4.21Å; A14-F16 HydrophobicContact CB-CE2 3.55Å; A14-F16 HydrophobicContact CB-CZ 4.38Å; A14-F16 WeakPolarHBondContact O-CD2 3.36Å; A14-Y27 PolarHBondContact N-O 2.72Å; A14-Y27 PolarHBondContact O-N 3.28Å; A14-I29 HydrophobicContact CB-CD1 4.29Å; A14-I29 HydrophobicContact CB-CG1 4.43Å; A14-I29 HydrophobicContact CB-CG2 3.64Å; A14-V144 HydrophobicContact CB-CG2 3.87Å; A14-M146 HydrophobicContact CB-CG 4.36Å
15H90.3Very high70.3Confident23 Ų2359.5 Ų59.511%0.10635%0.352CS..EExtended strand (participates in β ladder)trans-86.9115.8175.8-171.183.7000110.1D26 L42 V144 A145 Y147H15-D26 WeakPolarHBondContact CA-OD1 3.46Å; H15-D26 VanDerWaalsContact CB-OD1 3.23Å; H15-D26 WeakPolarHBondContact CB-OD1 3.35Å; H15-D26 IonicContact CE1-OD1 3.21Å; H15-D26 IonicContact CG-OD1 3.57Å; H15-D26 IonicContact ND1-OD1 3.71Å; H15-D26 PolarHBondContact ND1-OD1 3.14Å; H15-L42 HydrophobicContact CB-CD1 3.56Å; H15-L42 HydrophobicContact CB-CD2 4.27Å; H15-V144 CarbonylContact O-C 3.41Å; H15-V144 VanDerWaalsContact O-CA 3.26Å; H15-V144 WeakPolarHBondContact O-CA 3.13Å; H15-A145 HydrophobicContact CB-CB 4.46Å; H15-A145 PolarHBondContact N-O 3.14Å; H15-A145 PolarHBondContact O-N 3.06Å; H15-Y147 HydrophobicContact CB-CE1 4.17Å
16F90.4Very high73Confident0 Ų053.9 Ų53.90%032%0.323CS..EExtended strand (participates in β ladder)trans-102.5134.2177.7-68.2-112.7000110.4A14 G24 K25 Y27 I50 L99 L126 V134 F138 L143 V144A14-F16 HydrophobicContact CB-CD2 4.21Å; A14-F16 HydrophobicContact CB-CE2 3.55Å; A14-F16 HydrophobicContact CB-CZ 4.38Å; A14-F16 WeakPolarHBondContact O-CD2 3.36Å; F16-G24 CarbonylContact O-C 3.54Å; F16-G24 WeakPolarHBondContact O-CA 3.45Å; F16-K25 PolarHBondContact N-O 3.11Å; F16-K25 PolarHBondContact O-N 3.43Å; F16-Y27 HydrophobicContact CB-CD2 4.49Å; F16-Y27 HydrophobicContact CB-CE2 4.24Å; F16-Y27 AromaticContact CD2-CD2 3.46Å; F16-Y27 HydrophobicContact CD2-CD2 3.46Å; F16-Y27 VanDerWaalsContact CD2-CD2 3.46Å; F16-Y27 AromaticContact CD2-CE2 3.97Å; F16-Y27 HydrophobicContact CD2-CE2 3.97Å; F16-Y27 HydrophobicContact CD2-CG 4.34Å; F16-Y27 AromaticContact CE2-CD2 3.9Å; F16-Y27 HydrophobicContact CE2-CD2 3.9Å; F16-Y27 HydrophobicContact CE2-CG 4.36Å; F16-Y27 HydrophobicContact CG-CD2 4.22Å; F16-Y27 HydrophobicContact CG-CE2 4.29Å; F16-I50 HydrophobicContact CD1-CD1 3.53Å; F16-I50 HydrophobicContact CE1-CD1 3.2Å; F16-I50 HydrophobicContact CZ-CD1 4.19Å; F16-L99 HydrophobicContact CZ-CD1 4.23Å; F16-L126 HydrophobicContact CZ-CD2 4.01Å; F16-V134 HydrophobicContact CD1-CB 4.36Å; F16-V134 HydrophobicContact CD1-CG1 3.45Å; F16-V134 VanDerWaalsContact CD1-CG1 3.45Å; F16-V134 HydrophobicContact CD1-CG2 3.88Å; F16-V134 HydrophobicContact CD2-CG2 4.07Å; F16-V134 HydrophobicContact CE1-CB 4.28Å; F16-V134 HydrophobicContact CE1-CG1 3.46Å; F16-V134 VanDerWaalsContact CE1-CG1 3.46Å; F16-V134 HydrophobicContact CE1-CG2 3.79Å; F16-V134 HydrophobicContact CE2-CG2 4Å; F16-V134 HydrophobicContact CG-CG1 4.29Å; F16-V134 HydrophobicContact CG-CG2 4.01Å; F16-V134 HydrophobicContact CZ-CG1 4.31Å; F16-V134 HydrophobicContact CZ-CG2 3.87Å; F16-F138 HydrophobicContact CB-CD2 3.94Å; F16-F138 HydrophobicContact CB-CE2 3.78Å; F16-F138 HydrophobicContact CB-CG 4.48Å; F16-F138 HydrophobicContact CB-CZ 4.18Å; F16-F138 WeakPolarHBondContact O-CE1 3.44Å; F16-F138 VanDerWaalsContact O-CZ 3.23Å; F16-F138 WeakPolarHBondContact O-CZ 3.09Å; F16-L143 WeakPolarHBondContact CA-O 3.17Å; F16-V144 HydrophobicContact CD1-CB 4.41Å; F16-V144 HydrophobicContact CD1-CG2 4.36Å; F16-V144 HydrophobicContact CD2-CG2 4.01Å; F16-V144 HydrophobicContact CE1-CB 4.47Å; F16-V144 HydrophobicContact CE1-CG2 4.26Å; F16-V144 HydrophobicContact CE2-CG2 3.91Å; F16-V144 HydrophobicContact CG-CG2 4.25Å; F16-V144 HydrophobicContact CZ-CG2 4.04Å
17S90.4Very high75.7Confident9 Ų949.7 Ų49.76%0.06330%0.303CS..EExtended strand (participates in β ladder)trans-144.3152.8175.360.70000112.1R142 L143S17-R142 WeakPolarHBondContact O-CA 3.25Å; S17-L143 PolarHBondContact N-O 2.94Å; S17-L143 PolarHBondContact O-N 3.48Å
18D87.8Confident78Confident29 Ų2946.8 Ų46.816%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-75.2139.9168.6-78.5-29.5000110.1G20 K21 G139D18-G20 PolarHBondContact O-N 3.38Å; D18-G20 VanDerWaalsContact O-N 3.14Å; D18-K21 HydrophobicContact CB-CB 4.37Å; D18-K21 HydrophobicContact CB-CD 3.88Å; D18-K21 HydrophobicContact CB-CG 4.1Å; D18-K21 PolarHBondContact O-N 3.38Å; D18-K21 WeakPolarHBondContact OD2-CE 3.15Å; D18-K21 IonicContact OD2-NZ 2.7Å; D18-K21 PolarHBondContact OD2-NZ 3Å; D18-G139 PolarHBondContact OD1-N 2.75Å
19A77.4Confident79.9Confident66 Ų6643.3 Ų43.355%0.54527%0.265SS..THydrogen-bonded Turntrans-53.5120.617300000111.7L143A19-L143 HydrophobicContact CB-CD1 4.42Å; A19-L143 HydrophobicContact CB-CG 4.5Å
20G68.9Low81.5Confident88 Ų8843.6 Ų43.691%0.90726%0.264SS*.THydrogen-bonded Turntrans88.92.2-179.700000116D18D18-G20 PolarHBondContact O-N 3.38Å; D18-G20 VanDerWaalsContact O-N 3.14Å
21K71.9Confident82.1Confident130 Ų13040 Ų4057%0.56525%0.246SC*.  trans-108.8140.2171.5-59.1-174.4-165.3161.20111.3D18 N23D18-K21 HydrophobicContact CB-CB 4.37Å; D18-K21 HydrophobicContact CB-CD 3.88Å; D18-K21 HydrophobicContact CB-CG 4.1Å; D18-K21 PolarHBondContact O-N 3.38Å; D18-K21 WeakPolarHBondContact OD2-CE 3.15Å; D18-K21 IonicContact OD2-NZ 2.7Å; D18-K21 PolarHBondContact OD2-NZ 3Å; K21-N23 VanDerWaalsContact C-N 3.31Å
22S62.8Low82.3Confident114 Ų11438.2 Ų38.280%0.79724%0.238SC*.SBendtrans-73.9-20.3172.952.60000113.9
23N71.4Confident81.9Confident130 Ų13039.7 Ų39.770%0.69525%0.248SC*.  trans-95.9109-172-62.715.9000109.2K21K21-N23 VanDerWaalsContact C-N 3.31Å
24G82.1Confident81.2Confident30 Ų3043.8 Ų43.831%0.30927%0.267SS..EExtended strand (participates in β ladder)trans-116.6-177.9169.700000112.4F16F16-G24 CarbonylContact O-C 3.54Å; F16-G24 WeakPolarHBondContact O-CA 3.45Å
25K87.2Confident80.3Confident90 Ų9044 Ų4439%0.39127%0.268SS..EExtended strand (participates in β ladder)trans-136.1135.2178.2-179.1172.8165.5-172.80109.7F16 Y27 D133 F138F16-K25 PolarHBondContact N-O 3.11Å; F16-K25 PolarHBondContact O-N 3.43Å; K25-Y27 HydrophobicContact CB-CE2 3.9Å; K25-Y27 HydrophobicContact CD-CE1 4.37Å; K25-Y27 HydrophobicContact CD-CE2 4.06Å; K25-Y27 WeakPolarHBondContact CD-OH 3.16Å; K25-Y27 HydrophobicContact CG-CD2 4.4Å; K25-Y27 HydrophobicContact CG-CE2 3.77Å; K25-Y27 WeakPolarHBondContact O-CD2 3.35Å; K25-D133 IonicContact NZ-OD1 2.64Å; K25-D133 IonicContact NZ-OD2 3.07Å; K25-D133 PolarHBondContact NZ-OD2 2.89Å; K25-F138 HydrophobicContact CB-CE2 4.12Å; K25-F138 HydrophobicContact CB-CZ 3.81Å
26D86.9Confident79.5Confident35 Ų3543.9 Ų43.919%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-83.7143.1174.3-71-31.4000111.2M13 H15 Y147 L392M13-D26 HydrophobicContact SD-CB 3.86Å; H15-D26 WeakPolarHBondContact CA-OD1 3.46Å; H15-D26 VanDerWaalsContact CB-OD1 3.23Å; H15-D26 WeakPolarHBondContact CB-OD1 3.35Å; H15-D26 IonicContact CE1-OD1 3.21Å; H15-D26 IonicContact CG-OD1 3.57Å; H15-D26 IonicContact ND1-OD1 3.71Å; H15-D26 PolarHBondContact ND1-OD1 3.14Å; D26-Y147 PolarHBondContact OD2-OH 3.13Å; D26-L392 HydrophobicContact CB-CD1 4.05Å
27Y86.6Confident79Confident9 Ų954.5 Ų54.54%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-132.5153.1174.3-63.8-96.6000110A14 F16 K25 D130 D133 V134 F138A14-Y27 PolarHBondContact N-O 2.72Å; A14-Y27 PolarHBondContact O-N 3.28Å; F16-Y27 HydrophobicContact CB-CD2 4.49Å; F16-Y27 HydrophobicContact CB-CE2 4.24Å; F16-Y27 AromaticContact CD2-CD2 3.46Å; F16-Y27 HydrophobicContact CD2-CD2 3.46Å; F16-Y27 VanDerWaalsContact CD2-CD2 3.46Å; F16-Y27 AromaticContact CD2-CE2 3.97Å; F16-Y27 HydrophobicContact CD2-CE2 3.97Å; F16-Y27 HydrophobicContact CD2-CG 4.34Å; F16-Y27 AromaticContact CE2-CD2 3.9Å; F16-Y27 HydrophobicContact CE2-CD2 3.9Å; F16-Y27 HydrophobicContact CE2-CG 4.36Å; F16-Y27 HydrophobicContact CG-CD2 4.22Å; F16-Y27 HydrophobicContact CG-CE2 4.29Å; K25-Y27 HydrophobicContact CB-CE2 3.9Å; K25-Y27 HydrophobicContact CD-CE1 4.37Å; K25-Y27 HydrophobicContact CD-CE2 4.06Å; K25-Y27 WeakPolarHBondContact CD-OH 3.16Å; K25-Y27 HydrophobicContact CG-CD2 4.4Å; K25-Y27 HydrophobicContact CG-CE2 3.77Å; K25-Y27 WeakPolarHBondContact O-CD2 3.35Å; Y27-D130 HydrophobicContact CD1-CB 3.79Å; Y27-D130 HydrophobicContact CE1-CB 4.49Å; Y27-D133 HydrophobicContact CE1-CB 4.1Å; Y27-D133 WeakPolarHBondContact CE1-OD2 3.48Å; Y27-D133 VanDerWaalsContact CZ-OD2 3.3Å; Y27-D133 PolarHBondContact OH-OD2 2.97Å; Y27-V134 HydrophobicContact CD1-CG2 4.12Å; Y27-V134 HydrophobicContact CD2-CG2 3.81Å; Y27-V134 HydrophobicContact CE1-CG2 3.79Å; Y27-V134 HydrophobicContact CE2-CG2 3.46Å; Y27-V134 VanDerWaalsContact CE2-CG2 3.46Å; Y27-V134 HydrophobicContact CG-CG2 4.1Å; Y27-V134 VanDerWaalsContact CZ-CG2 3.42Å; Y27-F138 HydrophobicContact CE2-CE2 4.02Å
28C85.4Confident78.7Confident10 Ų1055 Ų557%0.06831%0.313CS..EExtended strand (participates in β ladder)trans-69.6136.8178-1740000111.7M13 L126 C393M13-C28 HydrophobicContact CE-CB 4.42Å; C28-L126 VanDerWaalsContact O-CD1 3.24Å; C28-L126 WeakPolarHBondContact O-CD1 3.2Å; C28-C393 WeakPolarHBondContact CA-SG 3.29Å; C28-C393 HydrophobicContact CB-CB 3.98Å; C28-C393 WeakPolarHBondContact CB-SG 3.21Å; C28-C393 WeakPolarHBondContact SG-CA 3.38Å; C28-C393 WeakPolarHBondContact SG-CB 3.32Å; C28-C393 CovalentContact SG-SG 2.04Å; C28-C393 PolarHBondContact SG-SG 2.73Å
29I86.2Confident78.5Confident0 Ų055.6 Ų55.60%032%0.319CS..EExtended strand (participates in β ladder)trans-126.5147.6161.953.8169.4000111.6G12 A14 L38 L99 A124 L125 L126 M146G12-I29 PolarHBondContact N-O 2.98Å; G12-I29 VanDerWaalsContact O-CG1 3.28Å; G12-I29 WeakPolarHBondContact O-CG1 3.38Å; G12-I29 PolarHBondContact O-N 3.01Å; G12-I29 VanDerWaalsContact O-O 3.12Å; A14-I29 HydrophobicContact CB-CD1 4.29Å; A14-I29 HydrophobicContact CB-CG1 4.43Å; A14-I29 HydrophobicContact CB-CG2 3.64Å; I29-L38 HydrophobicContact CD1-CD1 3.91Å; I29-L99 HydrophobicContact CG2-CD2 3.88Å; I29-A124 HydrophobicContact CB-CB 4Å; I29-A124 HydrophobicContact CD1-CB 3.73Å; I29-A124 HydrophobicContact CG1-CB 4.4Å; I29-A124 HydrophobicContact CG2-CB 4.18Å; I29-L125 CarbonylContact C-O 3.54Å; I29-L125 WeakPolarHBondContact CA-O 3.5Å; I29-L126 HydrophobicContact CG2-CB 4.5Å; I29-L126 HydrophobicContact CG2-CD1 4.26Å; I29-M146 HydrophobicContact CD1-CB 4.03Å; I29-M146 HydrophobicContact CD1-CG 4.02Å; I29-M146 HydrophobicContact CD1-SD 4.16Å
30F83.3Confident78.8Confident15 Ų1557.1 Ų57.17%0.06631%0.314CS..EExtended strand (participates in β ladder)trans-109.3124.5171.6-157.9-117.3000109.8G9 E10 H11 L106 P108 L125G9-F30 VanDerWaalsContact C-CZ 3.43Å; G9-F30 WeakPolarHBondContact O-CZ 3.14Å; E10-F30 WeakPolarHBondContact O-CD2 3.18Å; H11-F30 AromaticContact CD2-CD2 3.57Å; H11-F30 AromaticContact CD2-CE2 3.79Å; H11-F30 AromaticContact CE1-CE2 3.63Å; H11-F30 AromaticContact CG-CD2 3.94Å; H11-F30 AromaticContact CG-CE2 3.98Å; H11-F30 AromaticContact ND1-CE2 3.89Å; H11-F30 AromaticContact NE2-CD2 3.77Å; H11-F30 AromaticContact NE2-CE2 3.56Å; F30-L106 HydrophobicContact CB-CB 3.93Å; F30-L106 HydrophobicContact CB-CD1 4.19Å; F30-L106 HydrophobicContact CG-CB 4.39Å; F30-P108 HydrophobicContact CE1-CB 3.76Å; F30-P108 HydrophobicContact CE1-CG 4.28Å; F30-L125 HydrophobicContact CB-CB 4.48Å; F30-L125 PolarHBondContact N-O 3.01Å; F30-L125 WeakPolarHBondContact O-CD1 3.37Å; F30-L125 PolarHBondContact O-N 3.47Å
31F83.2Confident79.4Confident5 Ų556.4 Ų56.42%0.02229%0.29CS..EExtended strand (participates in β ladder)trans-134.8179.6-173.780.2-76000111.3E10 L38 V123 A148E10-F31 HydrophobicContact CB-CD1 4.1Å; E10-F31 HydrophobicContact CB-CE1 3.55Å; E10-F31 HydrophobicContact CB-CE2 4.36Å; E10-F31 HydrophobicContact CB-CZ 3.68Å; E10-F31 PolarHBondContact N-O 3.04Å; E10-F31 VanDerWaalsContact O-CD1 3.23Å; E10-F31 WeakPolarHBondContact O-CD1 3.48Å; E10-F31 PolarHBondContact O-N 3.36Å; E10-F31 WeakPolarHBondContact OE2-CZ 3.27Å; F31-L38 HydrophobicContact CD1-CD1 3.88Å; F31-L38 HydrophobicContact CD2-CD1 3.96Å; F31-L38 HydrophobicContact CD2-CG 4.07Å; F31-L38 HydrophobicContact CE1-CD1 4.03Å; F31-L38 HydrophobicContact CE2-CB 4.38Å; F31-L38 HydrophobicContact CE2-CD1 4.12Å; F31-L38 HydrophobicContact CE2-CG 4.07Å; F31-L38 HydrophobicContact CG-CD1 3.87Å; F31-L38 HydrophobicContact CG-CG 4.47Å; F31-L38 HydrophobicContact CZ-CD1 4.16Å; F31-L38 HydrophobicContact CZ-CG 4.45Å; F31-V123 WeakPolarHBondContact CB-O 3.19Å; F31-A148 HydrophobicContact CE1-CB 3.82Å; F31-A148 HydrophobicContact CZ-CB 3.61Å
32K78.6Confident79.9Confident20 Ų2052 Ų529%0.08727%0.273CS..  trans-131.9116.4171.2-154.1-173.2-163-156.40109.3Q34 W35 P109 Y116K32-Q34 HydrophobicContact CD-CB 4.31Å; K32-Q34 HydrophobicContact CG-CB 4.32Å; K32-Q34 PolarHBondContact O-N 3.14Å; K32-Q34 VanDerWaalsContact O-N 3.09Å; K32-W35 HydrophobicContact CB-CG 4.29Å; K32-W35 PolarHBondContact O-N 3.14Å; K32-P109 HydrophobicContact CB-CG 3.87Å; K32-Y116 PolarHBondContact NZ-OH 2.95Å
33S73.8Confident80.8Confident31 Ų3154.4 Ų54.422%0.21728%0.276CS..THydrogen-bonded Turntrans-59.8-20-179.458.60000114.5E10 W35 A36E10-S33 WeakPolarHBondContact OE1-CB 3.21Å; E10-S33 PolarHBondContact OE1-OG 2.89Å; E10-S33 WeakPolarHBondContact OE2-CB 3.46Å; S33-W35 VanDerWaalsContact C-N 3.32Å; S33-A36 CarbonylContact O-C 3.58Å
34Q70.8Confident81.4Confident85 Ų8555.3 Ų55.340%0.39727%0.274SS..THydrogen-bonded Turntrans-69.6-22.6171.7-68.5-175-34.400113.9K32 Y116K32-Q34 HydrophobicContact CD-CB 4.31Å; K32-Q34 HydrophobicContact CG-CB 4.32Å; K32-Q34 PolarHBondContact O-N 3.14Å; K32-Q34 VanDerWaalsContact O-N 3.09Å; Q34-Y116 HydrophobicContact CB-CD2 4.46Å
35W71.9Confident81.4Confident6 Ų654.3 Ų54.32%0.02326%0.263CS..THydrogen-bonded Turntrans-92.7-44.5-178.7-67.832.4000110.5K32 S33 F83 V87 P109 Y116 I119 V123K32-W35 HydrophobicContact CB-CG 4.29Å; K32-W35 PolarHBondContact O-N 3.14Å; S33-W35 VanDerWaalsContact C-N 3.32Å; W35-F83 HydrophobicContact CH2-CB 3.61Å; W35-F83 HydrophobicContact CZ3-CB 3.99Å; W35-V87 HydrophobicContact CZ3-CG2 4.18Å; W35-P109 HydrophobicContact CD2-CB 4.41Å; W35-P109 HydrophobicContact CD2-CG 4.42Å; W35-P109 HydrophobicContact CE3-CB 4.34Å; W35-P109 HydrophobicContact CH2-CB 3.9Å; W35-P109 HydrophobicContact CZ2-CB 3.94Å; W35-P109 VanDerWaalsContact CZ2-O 3.26Å; W35-P109 WeakPolarHBondContact CZ2-O 3.45Å; W35-P109 HydrophobicContact CZ3-CB 4.1Å; W35-Y116 AromaticContact CD1-CD1 3.74Å; W35-Y116 HydrophobicContact CD2-CD1 4.49Å; W35-Y116 AromaticContact CE2-CD1 3.66Å; W35-Y116 AromaticContact CE2-CE1 3.61Å; W35-Y116 HydrophobicContact CZ2-CD1 4.03Å; W35-Y116 AromaticContact CZ2-CE1 3.71Å; W35-Y116 HydrophobicContact CZ2-CE1 3.71Å; W35-Y116 AromaticContact NE1-CD1 3.12Å; W35-Y116 AromaticContact NE1-CE1 3.08Å; W35-Y116 AromaticContact NE1-CG 3.83Å; W35-Y116 AromaticContact NE1-CZ 3.72Å; W35-I119 HydrophobicContact CB-CG2 4.35Å; W35-I119 HydrophobicContact CD2-CD1 4.02Å; W35-I119 HydrophobicContact CE3-CD1 3.43Å; W35-I119 VanDerWaalsContact CE3-CD1 3.43Å; W35-I119 HydrophobicContact CH2-CD1 4.24Å; W35-I119 HydrophobicContact CZ3-CD1 3.55Å; W35-V123 HydrophobicContact CE3-CB 3.95Å; W35-V123 HydrophobicContact CE3-CG1 4.14Å; W35-V123 HydrophobicContact CE3-CG2 3.74Å; W35-V123 HydrophobicContact CZ3-CG1 4.29Å; W35-V123 HydrophobicContact CZ3-CG2 4.37Å
36A72.4Confident81.3Confident20 Ų2053.8 Ų53.817%0.16527%0.271CS..  trans-157153.615700000109.7S33 P122S33-A36 CarbonylContact O-C 3.58Å; A36-P122 HydrophobicContact CB-CB 4.16Å
37R79.4Confident81.4Confident222 Ų22256.1 Ų56.184%0.83828%0.28SS*.PPolyproline II helixtrans-86.2124174.6-65.2-179.8-177.6161.32.4110.2
38L84.4Confident81.6Confident20 Ų2057 Ų5711%0.10529%0.285CS..PPolyproline II helixtrans-76.2148.2168.7-67.9179.3000110.6I29 F31 P122 M146 A148I29-L38 HydrophobicContact CD1-CD1 3.91Å; F31-L38 HydrophobicContact CD1-CD1 3.88Å; F31-L38 HydrophobicContact CD2-CD1 3.96Å; F31-L38 HydrophobicContact CD2-CG 4.07Å; F31-L38 HydrophobicContact CE1-CD1 4.03Å; F31-L38 HydrophobicContact CE2-CB 4.38Å; F31-L38 HydrophobicContact CE2-CD1 4.12Å; F31-L38 HydrophobicContact CE2-CG 4.07Å; F31-L38 HydrophobicContact CG-CD1 3.87Å; F31-L38 HydrophobicContact CG-CG 4.47Å; F31-L38 HydrophobicContact CZ-CD1 4.16Å; F31-L38 HydrophobicContact CZ-CG 4.45Å; L38-P122 HydrophobicContact CD2-CB 3.7Å; L38-P122 HydrophobicContact CD2-CG 4.47Å; L38-M146 HydrophobicContact CD1-CB 4.29Å; L38-M146 HydrophobicContact CD2-CB 3.67Å; L38-A148 HydrophobicContact CB-CB 3.8Å; L38-A148 HydrophobicContact CD1-CB 4.33Å
39P84.7Confident81.9Confident42 Ų4259.5 Ų59.527%0.27330%0.296SS..PPolyproline II helixtrans-67.4150.3171.728.4-33.6000110.9K44 A45 M146 Y147 A148P39-K44 HydrophobicContact CB-CB 4.12Å; P39-A45 HydrophobicContact CG-CB 3.73Å; P39-M146 WeakPolarHBondContact CD-O 3.27Å; P39-Y147 CarbonylContact O-C 3.39Å; P39-Y147 WeakPolarHBondContact O-CA 3.41Å; P39-Y147 WeakPolarHBondContact O-CB 3.31Å; P39-A148 PolarHBondContact O-N 3.2Å
40Q82.4Confident82.1Confident97 Ų9760 Ų6045%0.45330%0.299SS..SBendtrans-79.5-30.4-174.4-68.3171.5-7.200113.8A148 P149 N150Q40-A148 WeakPolarHBondContact CA-O 3.32Å; Q40-P149 WeakPolarHBondContact O-CA 3.47Å; Q40-N150 PolarHBondContact NE2-OD1 3.29Å; Q40-N150 PolarHBondContact OE1-ND2 3.11Å
41D81.1Confident82.4Confident73 Ų7362.9 Ų62.939%0.3931%0.31SS..SBendtrans-111138.5-178.7-51.6-76000110.7N43 K44 A45D41-N43 PolarHBondContact O-N 3.19Å; D41-K44 HydrophobicContact CB-CB 4.47Å; D41-K44 HydrophobicContact CB-CD 4.17Å; D41-K44 HydrophobicContact CB-CG 4.23Å; D41-K44 PolarHBondContact O-N 3.06Å; D41-K44 VanDerWaalsContact OD2-CD 3.31Å; D41-K44 WeakPolarHBondContact OD2-CD 3.35Å; D41-K44 WeakPolarHBondContact OD2-CE 3.38Å; D41-K44 IonicContact OD2-NZ 3.47Å; D41-K44 PolarHBondContact OD2-NZ 2.8Å; D41-A45 PolarHBondContact O-N 2.76Å
42L83.4Confident82.7Confident39 Ų3966 Ų6620%0.20433%0.326CS..G310 helixtrans-53.1-39.4171.9178.357.9000112H15 K44 A45 A145 Y147H15-L42 HydrophobicContact CB-CD1 3.56Å; H15-L42 HydrophobicContact CB-CD2 4.27Å; L42-K44 PolarHBondContact O-N 2.89Å; L42-K44 VanDerWaalsContact O-N 3.09Å; L42-A45 WeakPolarHBondContact O-CB 3.48Å; L42-A45 PolarHBondContact O-N 3.49Å; L42-A145 HydrophobicContact CD1-CB 3.69Å; L42-Y147 HydrophobicContact CB-CD1 4.17Å; L42-Y147 HydrophobicContact CB-CD2 4.47Å; L42-Y147 HydrophobicContact CB-CE1 4.14Å; L42-Y147 HydrophobicContact CB-CE2 4.45Å; L42-Y147 HydrophobicContact CB-CG 4.34Å; L42-Y147 HydrophobicContact CD1-CD1 3.94Å; L42-Y147 HydrophobicContact CD1-CE1 4.05Å; L42-Y147 HydrophobicContact CG-CE1 4.47Å
43N81.9Confident83.2Confident163 Ų16365.8 Ų65.887%0.87233%0.326SS*.G310 helixtrans-64.1-13177.1-64.8-16.4000114.5D41D41-N43 PolarHBondContact O-N 3.19Å
44K83.1Confident83.7Confident149 Ų14966 Ų6665%0.64833%0.326SS*.G310 helixtrans-105.1-4.4174.9-64.6173-174.8158.10112.3P39 D41 L42P39-K44 HydrophobicContact CB-CB 4.12Å; D41-K44 HydrophobicContact CB-CB 4.47Å; D41-K44 HydrophobicContact CB-CD 4.17Å; D41-K44 HydrophobicContact CB-CG 4.23Å; D41-K44 PolarHBondContact O-N 3.06Å; D41-K44 VanDerWaalsContact OD2-CD 3.31Å; D41-K44 WeakPolarHBondContact OD2-CD 3.35Å; D41-K44 WeakPolarHBondContact OD2-CE 3.38Å; D41-K44 IonicContact OD2-NZ 3.47Å; D41-K44 PolarHBondContact OD2-NZ 2.8Å; L42-K44 PolarHBondContact O-N 2.89Å; L42-K44 VanDerWaalsContact O-N 3.09Å
45A83.4Confident84.3Confident10 Ų1067.8 Ų67.88%0.08335%0.348CS..SBendtrans-86.7137.3-179.500000111.5P39 D41 L42 H47 A145P39-A45 HydrophobicContact CG-CB 3.73Å; D41-A45 PolarHBondContact O-N 2.76Å; L42-A45 WeakPolarHBondContact O-CB 3.48Å; L42-A45 PolarHBondContact O-N 3.49Å; A45-H47 PolarHBondContact O-N 3.46Å; A45-A145 HydrophobicContact CB-CB 3.83Å
46S84.9Confident85.1Confident79 Ų7968.4 Ų68.455%0.55235%0.353SS*.  trans-75.2110.7176.855.60000110.4L48S46-L48 PolarHBondContact O-N 3.38Å; S46-L48 WeakPolarHBondContact OG-CD1 3.37Å
47H88.4Confident85.8Confident84 Ų8469.5 Ų69.539%0.38936%0.358SS..  trans-69.2110.6168.9-68.9-99.2000109.6A45 L143 V144A45-H47 PolarHBondContact O-N 3.46Å; H47-L143 HydrophobicContact CB-CB 4.42Å; H47-L143 HydrophobicContact CB-CD1 4.37Å; H47-V144 WeakPolarHBondContact CA-O 3.45Å
48L90.5Very high86.3Confident26 Ų2658.9 Ų58.914%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-122.6146.9-174.5-67.3167.5000110.7S46 I73 K96 L143 V144S46-L48 PolarHBondContact O-N 3.38Å; S46-L48 WeakPolarHBondContact OG-CD1 3.37Å; L48-I73 HydrophobicContact CB-CD1 3.99Å; L48-I73 HydrophobicContact CB-CG1 4.25Å; L48-I73 HydrophobicContact CD1-CD1 3.92Å; L48-I73 HydrophobicContact CD1-CG1 4.17Å; L48-K96 HydrophobicContact CD1-CB 3.62Å; L48-K96 HydrophobicContact CD1-CG 4.49Å; L48-L143 CarbonylContact O-C 3.48Å; L48-L143 WeakPolarHBondContact O-CA 3.2Å; L48-V144 PolarHBondContact N-O 3.42Å; L48-V144 PolarHBondContact O-N 3.33Å
49Q91.1Very high86.5Confident64 Ų6460.4 Ų60.430%0.29933%0.329SS..EExtended strand (participates in β ladder)trans-70.3133.3179.1-172-174.62400110.7R72 I73 L143Q49-R72 HydrophobicContact CB-CG 4.31Å; Q49-R72 VanDerWaalsContact O-CA 3.3Å; Q49-R72 WeakPolarHBondContact O-CA 3.43Å; Q49-R72 WeakPolarHBondContact O-CB 3.42Å; Q49-I73 PolarHBondContact O-N 2.89Å; Q49-I73 VanDerWaalsContact O-N 3.08Å; Q49-L143 HydrophobicContact CB-CD2 4.29Å
50I91.4Very high86.7Confident10 Ų1060 Ų605%0.05133%0.328CS..EExtended strand (participates in β ladder)trans-76.4137171.7-70.6162.7000110.4F16 I73 M75 R142 V144F16-I50 HydrophobicContact CD1-CD1 3.53Å; F16-I50 HydrophobicContact CE1-CD1 3.2Å; F16-I50 HydrophobicContact CZ-CD1 4.19Å; I50-I73 WeakPolarHBondContact CA-O 3.38Å; I50-M75 HydrophobicContact CG2-CB 3.93Å; I50-R142 HydrophobicContact CB-CG 4.36Å; I50-R142 HydrophobicContact CD1-CG 4.1Å; I50-R142 PolarHBondContact N-O 2.89Å; I50-V144 HydrophobicContact CD1-CB 3.65Å; I50-V144 HydrophobicContact CD1-CG1 3.8Å; I50-V144 HydrophobicContact CD1-CG2 4.47Å; I50-V144 HydrophobicContact CG1-CB 3.96Å; I50-V144 HydrophobicContact CG1-CG1 3.55Å
51Y90.3Very high86.9Confident76 Ų7660.2 Ų60.230%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-99.1112161.1-160.9-87.9000108.4L53 P65 F69 I73 P74 M75Y51-L53 HydrophobicContact CD1-CB 4.49Å; Y51-L53 HydrophobicContact CD1-CD1 3.92Å; Y51-L53 HydrophobicContact CE1-CD1 3.64Å; Y51-L53 PolarHBondContact O-N 3.4Å; Y51-P65 HydrophobicContact CE1-CB 4.25Å; Y51-P65 HydrophobicContact CE1-CG 3.9Å; Y51-P65 WeakPolarHBondContact OH-CB 3.43Å; Y51-F69 HydrophobicContact CD1-CD1 4.35Å; Y51-F69 AromaticContact CD1-CE1 3.97Å; Y51-F69 HydrophobicContact CD1-CE1 3.97Å; Y51-F69 HydrophobicContact CE1-CE1 4.47Å; Y51-F69 HydrophobicContact CG-CD1 4.28Å; Y51-F69 HydrophobicContact CG-CE1 4.36Å; Y51-I73 PolarHBondContact N-O 3.28Å; Y51-P74 WeakPolarHBondContact O-CA 3.3Å; Y51-M75 PolarHBondContact O-N 3.05Å
52D88.2Confident87.2Confident69 Ų6961.9 Ų61.937%0.36936%0.355SS..EExtended strand (participates in β ladder)trans-76.9114.2179.9-159.3-29.4000109.8T54 R142D52-T54 WeakPolarHBondContact OD1-CB 3.28Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.3Å; D52-T54 PolarHBondContact OD1-N 3.46Å; D52-T54 VanDerWaalsContact OD1-N 3.1Å; D52-T54 PolarHBondContact OD1-OG1 3.5Å; D52-R142 IonicContact OD2-CZ 3.84Å; D52-R142 IonicContact OD2-NH1 2.67Å; D52-R142 IonicContact OD2-NH2 3.58Å; D52-R142 PolarHBondContact OD2-NH2 2.79Å
53L88.7Confident87.3Confident17 Ų1762.4 Ų62.49%0.08936%0.356CS..EExtended strand (participates in β ladder)trans-126.724.6179.3-150.985.8000110.2Y51 S55 S56 L58 F69 M75 V76Y51-L53 HydrophobicContact CD1-CB 4.49Å; Y51-L53 HydrophobicContact CD1-CD1 3.92Å; Y51-L53 HydrophobicContact CE1-CD1 3.64Å; Y51-L53 PolarHBondContact O-N 3.4Å; L53-S55 PolarHBondContact O-N 3.29Å; L53-S55 VanDerWaalsContact O-N 3.09Å; L53-S56 WeakPolarHBondContact CD2-OG 3.43Å; L53-S56 WeakPolarHBondContact O-CA 3.35Å; L53-S56 PolarHBondContact O-N 3.28Å; L53-L58 HydrophobicContact CD2-CB 4.28Å; L53-L58 HydrophobicContact CD2-CD1 4.05Å; L53-F69 HydrophobicContact CD2-CZ 4.47Å; L53-M75 CarbonylContact C-O 3.6Å; L53-M75 VanDerWaalsContact CA-O 3.3Å; L53-M75 WeakPolarHBondContact CA-O 3.22Å; L53-M75 WeakPolarHBondContact CB-O 3.25Å; L53-M75 PolarHBondContact N-O 3.23Å; L53-V76 HydrophobicContact CB-CG1 4.19Å; L53-V76 HydrophobicContact CD2-CG1 3.94Å
54T84.6Confident87.7Confident35 Ų3555.9 Ų55.922%0.21532%0.322CS..THydrogen-bonded Turntrans-69.3-4.2-174.752.90000115D52 S56 M75 M77 V101 M131D52-T54 WeakPolarHBondContact OD1-CB 3.28Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.3Å; D52-T54 PolarHBondContact OD1-N 3.46Å; D52-T54 VanDerWaalsContact OD1-N 3.1Å; D52-T54 PolarHBondContact OD1-OG1 3.5Å; T54-S56 VanDerWaalsContact C-N 3.3Å; T54-M75 HydrophobicContact CG2-CE 3.69Å; T54-M75 HydrophobicContact CG2-CG 3.99Å; T54-M75 PolarHBondContact N-O 2.99Å; T54-M77 WeakPolarHBondContact O-CG 3.47Å; T54-V101 HydrophobicContact CG2-CG2 4.13Å; T54-M131 HydrophobicContact CG2-CE 4.46Å; T54-M131 HydrophobicContact CG2-CG 4.04Å; T54-M131 HydrophobicContact CG2-SD 4.17Å
55S84.3Confident87.9Confident123 Ų12349.9 Ų49.986%0.8630%0.298SS*.THydrogen-bonded Turntrans-79.7-10.3164.953.60000113.7L53L53-S55 PolarHBondContact O-N 3.29Å; L53-S55 VanDerWaalsContact O-N 3.09Å
56S87.7Confident87.9Confident18 Ų1859.3 Ų59.313%0.12634%0.341CS..  trans-129.8162.7-170.6146.20000111.5L53 T54 L58 E63 M77L53-S56 WeakPolarHBondContact CD2-OG 3.43Å; L53-S56 WeakPolarHBondContact O-CA 3.35Å; L53-S56 PolarHBondContact O-N 3.28Å; T54-S56 VanDerWaalsContact C-N 3.3Å; S56-L58 PolarHBondContact OG-N 3.26Å; S56-E63 PolarHBondContact OG-OE2 3.12Å; S56-E63 VanDerWaalsContact OG-OE2 3.08Å; S56-M77 PolarHBondContact O-N 2.96Å
57V87.5Confident87.8Confident43 Ų4359.1 Ų59.126%0.26135%0.351SS..  trans-108.2-15.3-173.9-168.50000110.8C59 E63 K86V57-C59 WeakPolarHBondContact CG1-SG 3.46Å; V57-E63 PolarHBondContact N-OE2 2.73Å; V57-K86 PolarHBondContact O-NZ 3.09Å
58L89.9Confident87.8Confident0 Ų055.5 Ų55.50%034%0.336CS..  trans53.650.3-176-163.466.9000111.9L53 S56 E63 V64 F69 V76 L89 A90 I98L53-L58 HydrophobicContact CD2-CB 4.28Å; L53-L58 HydrophobicContact CD2-CD1 4.05Å; S56-L58 PolarHBondContact OG-N 3.26Å; L58-E63 HydrophobicContact CD1-CB 4.18Å; L58-E63 PolarHBondContact N-OE2 2.56Å; L58-V64 HydrophobicContact CD1-CG2 3.92Å; L58-F69 HydrophobicContact CD1-CE2 4.37Å; L58-F69 HydrophobicContact CD1-CZ 4.22Å; L58-F69 HydrophobicContact CD2-CE2 4.18Å; L58-F69 HydrophobicContact CD2-CZ 4.36Å; L58-V76 HydrophobicContact CB-CB 4.35Å; L58-V76 HydrophobicContact CB-CG1 3.85Å; L58-V76 HydrophobicContact CD2-CG1 3.93Å; L58-L89 HydrophobicContact CG-CB 4.44Å; L58-A90 HydrophobicContact CD2-CB 4.18Å; L58-I98 HydrophobicContact CD2-CD1 4.27Å
59C88.7Confident87.9Confident51 Ų5154.2 Ų54.235%0.34533%0.33SS..  trans-95.8-21.7173.8-62.90000112.9V57 E63 C81V57-C59 WeakPolarHBondContact CG1-SG 3.46Å; C59-E63 PolarHBondContact N-OE1 3.27Å; C59-C81 WeakPolarHBondContact CA-SG 3.16Å; C59-C81 HydrophobicContact CB-CB 3.71Å; C59-C81 WeakPolarHBondContact CB-SG 3.44Å; C59-C81 WeakPolarHBondContact SG-CB 3.39Å; C59-C81 CovalentContact SG-SG 2.04Å; C59-C81 PolarHBondContact SG-SG 3.09Å
60S89.3Confident87.8Confident34 Ų3454.9 Ų54.924%0.23834%0.34CS..SBendtrans-121.7149.8-175.667.10000112.1S62 E63S60-S62 WeakPolarHBondContact CB-OG 3.24Å; S60-S62 PolarHBondContact O-N 3.12Å; S60-S62 PolarHBondContact OG-OG 3.25Å; S60-E63 WeakPolarHBondContact CB-OE1 3.42Å; S60-E63 PolarHBondContact N-OE1 2.84Å; S60-E63 WeakPolarHBondContact O-CB 3.43Å; S60-E63 PolarHBondContact O-N 2.89Å; S60-E63 WeakPolarHBondContact OG-CG 3.27Å; S60-E63 PolarHBondContact OG-OE1 2.93Å
61P87.4Confident87.6Confident101 Ų10159.7 Ų59.766%0.65637%0.365SS*.G310 helixtrans-58.5-26.5172.8-25.435.3000113.6E63 V64 L89P61-E63 PolarHBondContact O-N 3.46Å; P61-V64 WeakPolarHBondContact O-CB 3.38Å; P61-V64 WeakPolarHBondContact O-CG2 3.32Å; P61-V64 PolarHBondContact O-N 2.99Å; P61-L89 HydrophobicContact CG-CD2 4.21Å
62S86.7Confident87.7Confident108 Ų10859.9 Ų59.976%0.75537%0.366SS*.G310 helixtrans-68.6-12.7174.533.70000114.9S60S60-S62 WeakPolarHBondContact CB-OG 3.24Å; S60-S62 PolarHBondContact O-N 3.12Å; S60-S62 PolarHBondContact OG-OG 3.25Å
63E86.2Confident87.9Confident50 Ų5056.8 Ų56.823%0.23435%0.349CS..G310 helixtrans-89.6-3.2172.3-73.3162-83.200112.9S56 V57 L58 C59 S60 P61S56-E63 PolarHBondContact OG-OE2 3.12Å; S56-E63 VanDerWaalsContact OG-OE2 3.08Å; V57-E63 PolarHBondContact N-OE2 2.73Å; L58-E63 HydrophobicContact CD1-CB 4.18Å; L58-E63 PolarHBondContact N-OE2 2.56Å; C59-E63 PolarHBondContact N-OE1 3.27Å; S60-E63 WeakPolarHBondContact CB-OE1 3.42Å; S60-E63 PolarHBondContact N-OE1 2.84Å; S60-E63 WeakPolarHBondContact O-CB 3.43Å; S60-E63 PolarHBondContact O-N 2.89Å; S60-E63 WeakPolarHBondContact OG-CG 3.27Å; S60-E63 PolarHBondContact OG-OE1 2.93Å; P61-E63 PolarHBondContact O-N 3.46Å
64V88.6Confident88.2Confident27 Ų2756 Ų5616%0.16435%0.345CS..SBendtrans-82.9131176.2-175.80000109.4L58 P61 F69 N93L58-V64 HydrophobicContact CD1-CG2 3.92Å; P61-V64 WeakPolarHBondContact O-CB 3.38Å; P61-V64 WeakPolarHBondContact O-CG2 3.32Å; P61-V64 PolarHBondContact O-N 2.99Å; V64-F69 HydrophobicContact CG1-CE2 4.21Å; V64-F69 HydrophobicContact CG1-CZ 4.47Å; V64-N93 HydrophobicContact CG1-CB 3.96Å
65P88.1Confident88.6Confident23 Ų2354.3 Ų54.315%0.14933%0.334CS..PPolyproline II helixtrans-69.4153.3176.130.5-36.3000112Y51 G67 G68 F69Y51-P65 HydrophobicContact CE1-CB 4.25Å; Y51-P65 HydrophobicContact CE1-CG 3.9Å; Y51-P65 WeakPolarHBondContact OH-CB 3.43Å; P65-G67 PolarHBondContact O-N 3.45Å; P65-G68 PolarHBondContact O-N 3.16Å; P65-F69 VanDerWaalsContact CD-CE1 3.47Å; P65-F69 VanDerWaalsContact CD-CZ 3.48Å; P65-F69 HydrophobicContact CG-CD1 4.15Å; P65-F69 HydrophobicContact CG-CE1 3.63Å; P65-F69 HydrophobicContact CG-CZ 4.17Å
66E83.3Confident89Confident208 Ų20848.4 Ų48.497%0.97229%0.293SS*.THydrogen-bonded Turntrans-57.3121174.9-64.4-175.4175.500110.9
67G82.5Confident89.2Confident74 Ų7448.7 Ų48.776%0.76329%0.293SS*.THydrogen-bonded Turntrans90.3-2.9-174.200000115.8P65 P70P65-G67 PolarHBondContact O-N 3.45Å; G67-P70 WeakPolarHBondContact O-CD 3.36Å
68G89.6Confident89.2Confident8 Ų850 Ų508%0.08229%0.293CS..  trans71.5-146.817200000114.9P65 P70P65-G68 PolarHBondContact O-N 3.16Å; G68-P70 WeakPolarHBondContact O-CD 3.35Å
69F91Very high89Confident0 Ų051.4 Ų51.40%031%0.307CS..  trans-119.439.4-172.8-52.6-65.1000114.9Y51 L53 L58 V64 P65 N71 R72 P74 N93 G94 A95Y51-F69 HydrophobicContact CD1-CD1 4.35Å; Y51-F69 AromaticContact CD1-CE1 3.97Å; Y51-F69 HydrophobicContact CD1-CE1 3.97Å; Y51-F69 HydrophobicContact CE1-CE1 4.47Å; Y51-F69 HydrophobicContact CG-CD1 4.28Å; Y51-F69 HydrophobicContact CG-CE1 4.36Å; L53-F69 HydrophobicContact CD2-CZ 4.47Å; L58-F69 HydrophobicContact CD1-CE2 4.37Å; L58-F69 HydrophobicContact CD1-CZ 4.22Å; L58-F69 HydrophobicContact CD2-CE2 4.18Å; L58-F69 HydrophobicContact CD2-CZ 4.36Å; V64-F69 HydrophobicContact CG1-CE2 4.21Å; V64-F69 HydrophobicContact CG1-CZ 4.47Å; P65-F69 VanDerWaalsContact CD-CE1 3.47Å; P65-F69 VanDerWaalsContact CD-CZ 3.48Å; P65-F69 HydrophobicContact CG-CD1 4.15Å; P65-F69 HydrophobicContact CG-CE1 3.63Å; P65-F69 HydrophobicContact CG-CZ 4.17Å; F69-N71 PolarHBondContact O-N 2.94Å; F69-N71 VanDerWaalsContact O-N 3.16Å; F69-R72 PolarHBondContact O-N 3.32Å; F69-P74 HydrophobicContact CD1-CB 3.95Å; F69-P74 HydrophobicContact CD1-CG 4.16Å; F69-P74 HydrophobicContact CD2-CG 4.05Å; F69-P74 HydrophobicContact CE1-CB 3.8Å; F69-P74 HydrophobicContact CE1-CG 4.33Å; F69-P74 HydrophobicContact CE2-CB 4.39Å; F69-P74 HydrophobicContact CE2-CG 4.22Å; F69-P74 HydrophobicContact CG-CB 4.32Å; F69-P74 HydrophobicContact CG-CG 4.01Å; F69-P74 HydrophobicContact CZ-CB 4.03Å; F69-P74 HydrophobicContact CZ-CG 4.36Å; F69-N93 HydrophobicContact CD2-CB 4.11Å; F69-N93 HydrophobicContact CE2-CB 4.48Å; F69-N93 PolarHBondContact N-O 3.47Å; F69-G94 CarbonylContact O-C 3.54Å; F69-A95 HydrophobicContact CB-CB 3.86Å; F69-A95 HydrophobicContact CD2-CB 4.34Å; F69-A95 HydrophobicContact CG-CB 4.45Å
70P90.5Very high88.8Confident78 Ų7857.4 Ų57.451%0.50634%0.336SS..THydrogen-bonded Turntrans-59.3121.1-171.926-35.5000112.1G67 G68 R72G67-P70 WeakPolarHBondContact O-CD 3.36Å; G68-P70 WeakPolarHBondContact O-CD 3.35Å; P70-R72 PolarHBondContact O-N 2.92Å
71N87.6Confident88.6Confident110 Ų11056.8 Ų56.859%0.58833%0.332SS*.THydrogen-bonded Turntrans53.930.9-176-64.5-26.2000114.3F69F69-N71 PolarHBondContact O-N 2.94Å; F69-N71 VanDerWaalsContact O-N 3.16Å
72R91.5Very high88.6Confident81 Ų8155.4 Ų55.431%0.30632%0.321SS..EExtended strand (participates in β ladder)trans-123.4162.9177.2-71.3179.8170149.6-1.3111.9Q49 F69 P70 K96Q49-R72 HydrophobicContact CB-CG 4.31Å; Q49-R72 VanDerWaalsContact O-CA 3.3Å; Q49-R72 WeakPolarHBondContact O-CA 3.43Å; Q49-R72 WeakPolarHBondContact O-CB 3.42Å; F69-R72 PolarHBondContact O-N 3.32Å; P70-R72 PolarHBondContact O-N 2.92Å; R72-K96 PolarHBondContact O-N 3.44Å
73I93.2Very high88.5Confident3 Ų351.5 Ų51.52%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-113.2105.7170.5-68.2170.4000107.6L48 Q49 I50 Y51 L99 V144 M146L48-I73 HydrophobicContact CB-CD1 3.99Å; L48-I73 HydrophobicContact CB-CG1 4.25Å; L48-I73 HydrophobicContact CD1-CD1 3.92Å; L48-I73 HydrophobicContact CD1-CG1 4.17Å; Q49-I73 PolarHBondContact O-N 2.89Å; Q49-I73 VanDerWaalsContact O-N 3.08Å; I50-I73 WeakPolarHBondContact CA-O 3.38Å; Y51-I73 PolarHBondContact N-O 3.28Å; I73-L99 HydrophobicContact CG2-CB 4.44Å; I73-L99 HydrophobicContact CG2-CD1 3.94Å; I73-L99 HydrophobicContact CG2-CG 4Å; I73-V144 HydrophobicContact CB-CG1 4.35Å; I73-V144 HydrophobicContact CD1-CG1 3.64Å; I73-V144 HydrophobicContact CG2-CG1 4.44Å; I73-M146 HydrophobicContact CD1-CE 3.96Å
74P93.6Very high88.5Confident0 Ų050.4 Ų50.40%029%0.285CS..EExtended strand (participates in β ladder)trans-62.3137.1167.823.7-33.5000111.4Y51 F69 V76 A90 A95 G97 I98 L99Y51-P74 WeakPolarHBondContact O-CA 3.3Å; F69-P74 HydrophobicContact CD1-CB 3.95Å; F69-P74 HydrophobicContact CD1-CG 4.16Å; F69-P74 HydrophobicContact CD2-CG 4.05Å; F69-P74 HydrophobicContact CE1-CB 3.8Å; F69-P74 HydrophobicContact CE1-CG 4.33Å; F69-P74 HydrophobicContact CE2-CB 4.39Å; F69-P74 HydrophobicContact CE2-CG 4.22Å; F69-P74 HydrophobicContact CG-CB 4.32Å; F69-P74 HydrophobicContact CG-CG 4.01Å; F69-P74 HydrophobicContact CZ-CB 4.03Å; F69-P74 HydrophobicContact CZ-CG 4.36Å; P74-V76 HydrophobicContact CB-CG1 4.21Å; P74-A90 HydrophobicContact CG-CB 4.12Å; P74-A95 HydrophobicContact CG-CB 4.19Å; P74-G97 WeakPolarHBondContact CD-O 3.41Å; P74-I98 HydrophobicContact CG-CB 4.41Å; P74-I98 HydrophobicContact CG-CG1 4.28Å; P74-L99 PolarHBondContact O-N 3.13Å
75M92.6Very high88.5Confident0 Ų053.3 Ų53.30%030%0.297CS..EExtended strand (participates in β ladder)trans-110.9109.6170.8-172.6170.97400108.8I50 Y51 L53 T54 L99 V101 L126 M131I50-M75 HydrophobicContact CG2-CB 3.93Å; Y51-M75 PolarHBondContact O-N 3.05Å; L53-M75 CarbonylContact C-O 3.6Å; L53-M75 VanDerWaalsContact CA-O 3.3Å; L53-M75 WeakPolarHBondContact CA-O 3.22Å; L53-M75 WeakPolarHBondContact CB-O 3.25Å; L53-M75 PolarHBondContact N-O 3.23Å; T54-M75 HydrophobicContact CG2-CE 3.69Å; T54-M75 HydrophobicContact CG2-CG 3.99Å; T54-M75 PolarHBondContact N-O 2.99Å; M75-L99 CarbonylContact C-O 3.41Å; M75-L99 WeakPolarHBondContact CA-O 3.44Å; M75-L99 HydrophobicContact CB-CB 4.21Å; M75-L99 HydrophobicContact CG-CB 3.99Å; M75-V101 HydrophobicContact CG-CG2 3.58Å; M75-V101 HydrophobicContact SD-CG2 4.15Å; M75-L126 HydrophobicContact SD-CD2 4.11Å; M75-M131 HydrophobicContact CE-CG 3.63Å; M75-M131 HydrophobicContact SD-CG 4.08Å
76V93.6Very high88.6Confident0 Ų052.3 Ų52.30%029%0.29CS..EExtended strand (participates in β ladder)trans-120.1159.7-168.7-53.70000111.1L53 L58 P74 I98 L99 I100 V101L53-V76 HydrophobicContact CB-CG1 4.19Å; L53-V76 HydrophobicContact CD2-CG1 3.94Å; L58-V76 HydrophobicContact CB-CB 4.35Å; L58-V76 HydrophobicContact CB-CG1 3.85Å; L58-V76 HydrophobicContact CD2-CG1 3.93Å; P74-V76 HydrophobicContact CB-CG1 4.21Å; V76-I98 HydrophobicContact CG1-CD1 4.44Å; V76-I98 HydrophobicContact CG2-CD1 3.96Å; V76-I98 HydrophobicContact CG2-CG1 4.26Å; V76-L99 PolarHBondContact N-O 2.94Å; V76-I100 HydrophobicContact CG2-CB 4.48Å; V76-I100 HydrophobicContact CG2-CG1 3.98Å; V76-V101 PolarHBondContact O-N 3.05Å
77M90.9Very high88.9Confident24 Ų2442.4 Ų42.412%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-80.9150.2172.5-71.6-63.9-56.400113T54 S56 K86 V101 K103 Y128T54-M77 WeakPolarHBondContact O-CG 3.47Å; S56-M77 PolarHBondContact O-N 2.96Å; M77-K86 PolarHBondContact O-NZ 3Å; M77-V101 HydrophobicContact SD-CB 3.81Å; M77-V101 HydrophobicContact SD-CG1 3.84Å; M77-K103 HydrophobicContact CE-CD 4.28Å; M77-K103 HydrophobicContact CE-CG 4.09Å; M77-Y128 HydrophobicContact CE-CD2 3.89Å; M77-Y128 HydrophobicContact CE-CE2 4.22Å; M77-Y128 HydrophobicContact SD-CD2 4.08Å; M77-Y128 HydrophobicContact SD-CE2 4.28Å
78R88.7Confident89.3Confident70 Ų7044.6 Ų44.626%0.26423%0.229SC..  trans-63.2147.1158.5-170.9178.8-1731634.4109.7I100 V101 S102 R105 T107R78-I100 HydrophobicContact CB-CG2 4.34Å; R78-V101 WeakPolarHBondContact CB-O 3.28Å; R78-V101 PolarHBondContact N-O 3.49Å; R78-S102 WeakPolarHBondContact CD-OG 3.13Å; R78-S102 PolarHBondContact NH1-OG 3.38Å; R78-R105 PolarHBondContact NH1-O 2.97Å; R78-R105 VanDerWaalsContact NH1-O 3.14Å; R78-T107 PolarHBondContact NH1-OG1 3.32Å; R78-T107 PolarHBondContact NH2-OG1 3.02Å
79G84.9Confident89.4Confident29 Ų2945.7 Ų45.730%0.29923%0.232SC..  trans-177.3-160178.500000110.1C81G79-C81 PolarHBondContact O-N 2.85Å
80N84.8Confident89.4Confident178 Ų17845.7 Ų45.795%0.95223%0.232SC*.SBendtrans-79.2-10.3-158.5-59.97.9000116.2
81C86.1Confident89.5Confident21 Ų2144.2 Ų44.214%0.14222%0.219CC..SBendtrans-87.9156.2171.258.90000112.1C59 G79C59-C81 WeakPolarHBondContact CA-SG 3.16Å; C59-C81 HydrophobicContact CB-CB 3.71Å; C59-C81 WeakPolarHBondContact CB-SG 3.44Å; C59-C81 WeakPolarHBondContact SG-CB 3.39Å; C59-C81 CovalentContact SG-SG 2.04Å; C59-C81 PolarHBondContact SG-SG 3.09Å; G79-C81 PolarHBondContact O-N 2.85Å
82T86.2Confident89.7Confident71 Ų7145 Ų4544%0.43622%0.222SC..  trans-66.1160.7-176.266.50000112.8Y84 E85 K86T82-Y84 VanDerWaalsContact C-N 3.31Å; T82-Y84 PolarHBondContact O-N 3.37Å; T82-E85 VanDerWaalsContact CB-OE2 3.29Å; T82-E85 WeakPolarHBondContact CB-OE2 3.5Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.18Å; T82-E85 PolarHBondContact N-OE2 3.11Å; T82-E85 PolarHBondContact O-N 3.24Å; T82-E85 VanDerWaalsContact OG1-CD 3.26Å; T82-E85 VanDerWaalsContact OG1-CG 3.28Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-N 2.81Å; T82-E85 PolarHBondContact OG1-OE2 2.93Å; T82-K86 WeakPolarHBondContact O-CG 3.27Å; T82-K86 PolarHBondContact O-N 3.14Å
83F85.5Confident89.7Confident26 Ų2643.8 Ų43.811%0.11422%0.221CC..Hα-helixtrans-58.3-43.2172.2-67.9-76000111.8W35 E85 V87 I100 P109 L125W35-F83 HydrophobicContact CH2-CB 3.61Å; W35-F83 HydrophobicContact CZ3-CB 3.99Å; F83-E85 PolarHBondContact O-N 3.29Å; F83-V87 WeakPolarHBondContact O-CB 3.2Å; F83-V87 WeakPolarHBondContact O-CG2 3.4Å; F83-V87 PolarHBondContact O-N 3Å; F83-I100 HydrophobicContact CD1-CD1 3.85Å; F83-I100 HydrophobicContact CE1-CD1 4.46Å; F83-I100 HydrophobicContact CE1-CG2 4.38Å; F83-P109 HydrophobicContact CB-CB 4.18Å; F83-P109 HydrophobicContact CD1-CB 4.06Å; F83-P109 HydrophobicContact CD2-CB 4.34Å; F83-P109 HydrophobicContact CG-CB 3.95Å; F83-L125 HydrophobicContact CE1-CD1 4.17Å; F83-L125 HydrophobicContact CE1-CD2 3.77Å; F83-L125 HydrophobicContact CE1-CG 4.09Å; F83-L125 HydrophobicContact CZ-CD2 3.98Å
84Y86.1Confident89.6Confident28 Ų2845.3 Ų45.311%0.1124%0.238CC..Hα-helixtrans-60-45.2179.2166.1-98.3000112.8T82 K86 V87 R88 Q115 E118 I119T82-Y84 VanDerWaalsContact C-N 3.31Å; T82-Y84 PolarHBondContact O-N 3.37Å; Y84-K86 PolarHBondContact O-N 3.29Å; Y84-V87 PolarHBondContact O-N 3.27Å; Y84-R88 VanDerWaalsContact O-CB 3.26Å; Y84-R88 WeakPolarHBondContact O-CB 3.43Å; Y84-R88 PolarHBondContact O-N 3.19Å; Y84-R88 WeakPolarHBondContact OH-CD 3.38Å; Y84-R88 PolarHBondContact OH-NE 3.02Å; Y84-R88 VanDerWaalsContact OH-NE 3.15Å; Y84-Q115 VanDerWaalsContact CD1-NE2 3.33Å; Y84-Q115 HydrophobicContact CD2-CB 3.66Å; Y84-Q115 HydrophobicContact CD2-CG 3.95Å; Y84-Q115 HydrophobicContact CE2-CB 4Å; Y84-Q115 HydrophobicContact CE2-CG 4.06Å; Y84-Q115 HydrophobicContact CG-CB 4.21Å; Y84-Q115 HydrophobicContact CG-CG 4.19Å; Y84-E118 HydrophobicContact CE2-CB 4.43Å; Y84-E118 PolarHBondContact OH-OE2 3.48Å; Y84-I119 HydrophobicContact CD2-CD1 4.2Å
85E87.9Confident89.6Confident88 Ų8845.6 Ų45.641%0.41124%0.24SC..Hα-helixtrans-61.1-46.6-178.9-72.9160.1129.900112.5T82 F83 V87 R88 L89T82-E85 VanDerWaalsContact CB-OE2 3.29Å; T82-E85 WeakPolarHBondContact CB-OE2 3.5Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.18Å; T82-E85 PolarHBondContact N-OE2 3.11Å; T82-E85 PolarHBondContact O-N 3.24Å; T82-E85 VanDerWaalsContact OG1-CD 3.26Å; T82-E85 VanDerWaalsContact OG1-CG 3.28Å; T82-E85 WeakPolarHBondContact OG1-CG 3.42Å; T82-E85 PolarHBondContact OG1-N 2.81Å; T82-E85 PolarHBondContact OG1-OE2 2.93Å; F83-E85 PolarHBondContact O-N 3.29Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.21Å; E85-R88 PolarHBondContact O-N 3.17Å; E85-L89 WeakPolarHBondContact O-CG 3.26Å; E85-L89 PolarHBondContact O-N 2.99Å
86K90.6Very high89.5Confident2 Ų251 Ų511%0.00926%0.264CS..Hα-helixtrans-57.7-47176.5-64.2163.7177.3-740111.8V57 M77 T82 Y84 L89 A90 I98 I100V57-K86 PolarHBondContact O-NZ 3.09Å; M77-K86 PolarHBondContact O-NZ 3Å; T82-K86 WeakPolarHBondContact O-CG 3.27Å; T82-K86 PolarHBondContact O-N 3.14Å; Y84-K86 PolarHBondContact O-N 3.29Å; K86-L89 PolarHBondContact O-N 3.37Å; K86-A90 PolarHBondContact O-N 3.28Å; K86-I98 HydrophobicContact CB-CD1 4.3Å; K86-I100 HydrophobicContact CD-CD1 4.1Å
87V89.8Confident89.4Confident0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-69.6-43.9-175173.40000110.3W35 F83 Y84 E85 L89 A90 Q91 I98 I100 I119 I121 V123W35-V87 HydrophobicContact CZ3-CG2 4.18Å; F83-V87 WeakPolarHBondContact O-CB 3.2Å; F83-V87 WeakPolarHBondContact O-CG2 3.4Å; F83-V87 PolarHBondContact O-N 3Å; Y84-V87 PolarHBondContact O-N 3.27Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.21Å; V87-L89 PolarHBondContact O-N 3.2Å; V87-A90 PolarHBondContact O-N 3.45Å; V87-Q91 WeakPolarHBondContact O-CB 3.47Å; V87-Q91 PolarHBondContact O-N 2.96Å; V87-I98 HydrophobicContact CG2-CG2 3.8Å; V87-I100 HydrophobicContact CG2-CD1 4.48Å; V87-I119 HydrophobicContact CB-CD1 4.47Å; V87-I119 HydrophobicContact CG1-CD1 3.97Å; V87-I119 HydrophobicContact CG1-CG1 4.05Å; V87-I119 HydrophobicContact CG1-CG2 3.76Å; V87-I121 HydrophobicContact CG1-CD1 4.14Å; V87-I121 HydrophobicContact CG1-CG1 3.89Å; V87-V123 HydrophobicContact CB-CG2 4.15Å; V87-V123 HydrophobicContact CG1-CG2 3.55Å; V87-V123 HydrophobicContact CG2-CB 4.2Å; V87-V123 HydrophobicContact CG2-CG1 3.66Å; V87-V123 HydrophobicContact CG2-CG2 3.43Å; V87-V123 VanDerWaalsContact CG2-CG2 3.43Å
88R90.1Very high89.5Confident119 Ų11949.9 Ų49.945%0.44926%0.258SS..Hα-helixtrans-60.1-43.8175.1-167.1-176.8-157.8-143.57.1111.8Y84 E85 Q91 I92 E118Y84-R88 VanDerWaalsContact O-CB 3.26Å; Y84-R88 WeakPolarHBondContact O-CB 3.43Å; Y84-R88 PolarHBondContact O-N 3.19Å; Y84-R88 WeakPolarHBondContact OH-CD 3.38Å; Y84-R88 PolarHBondContact OH-NE 3.02Å; Y84-R88 VanDerWaalsContact OH-NE 3.15Å; E85-R88 PolarHBondContact O-N 3.17Å; R88-Q91 PolarHBondContact O-N 2.79Å; R88-I92 HydrophobicContact CG-CD1 3.87Å; R88-I92 WeakPolarHBondContact O-CB 3.48Å; R88-I92 VanDerWaalsContact O-CG1 3.27Å; R88-I92 WeakPolarHBondContact O-CG1 3.34Å; R88-I92 PolarHBondContact O-N 2.95Å; R88-E118 IonicContact CZ-OE2 3.23Å; R88-E118 IonicContact NE-OE2 3.36Å; R88-E118 IonicContact NH2-OE2 2.87Å; R88-E118 PolarHBondContact NH2-OE2 3.35Å
89L91.8Very high89.6Confident31 Ų3146.5 Ų46.516%0.16225%0.245CC..Hα-helixtrans-61.6-42.3174.3-75.6172.5000112L58 P61 E85 K86 V87 N93L58-L89 HydrophobicContact CG-CB 4.44Å; P61-L89 HydrophobicContact CG-CD2 4.21Å; E85-L89 WeakPolarHBondContact O-CG 3.26Å; E85-L89 PolarHBondContact O-N 2.99Å; K86-L89 PolarHBondContact O-N 3.37Å; V87-L89 PolarHBondContact O-N 3.2Å; L89-N93 WeakPolarHBondContact O-CB 3.47Å; L89-N93 PolarHBondContact O-N 2.59Å; L89-N93 PolarHBondContact O-ND2 3.09Å
90A92.1Very high90Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-66.7-45.1176.700000112.7L58 P74 K86 V87 N93 G94 A95 I98 I121L58-A90 HydrophobicContact CD2-CB 4.18Å; P74-A90 HydrophobicContact CG-CB 4.12Å; K86-A90 PolarHBondContact O-N 3.28Å; V87-A90 PolarHBondContact O-N 3.45Å; A90-N93 CarbonylContact O-C 3.58Å; A90-N93 PolarHBondContact O-N 2.93Å; A90-G94 PolarHBondContact O-N 3.13Å; A90-A95 HydrophobicContact CB-CB 3.88Å; A90-A95 WeakPolarHBondContact O-CB 3.28Å; A90-A95 PolarHBondContact O-N 3.45Å; A90-I98 HydrophobicContact CB-CB 4.49Å; A90-I98 HydrophobicContact CB-CD1 4.03Å; A90-I121 HydrophobicContact CB-CD1 4.19Å
91Q91.7Very high90.3Very high48 Ų4836.7 Ų36.722%0.22419%0.186CC..Hα-helixtrans-64-46.6-178.9-174.6170.4-47.800111.9V87 R88 N93 G94 E118 I121V87-Q91 WeakPolarHBondContact O-CB 3.47Å; V87-Q91 PolarHBondContact O-N 2.96Å; R88-Q91 PolarHBondContact O-N 2.79Å; Q91-N93 PolarHBondContact O-N 3.06Å; Q91-G94 PolarHBondContact O-N 3.35Å; Q91-E118 PolarHBondContact NE2-O 2.83Å; Q91-I121 HydrophobicContact CB-CD1 3.93Å; Q91-I121 HydrophobicContact CB-CG1 4.25Å; Q91-I121 HydrophobicContact CB-CG2 4.4Å; Q91-I121 HydrophobicContact CG-CG2 4.05Å
92I91.5Very high90.3Very high125 Ų12535.7 Ų35.764%0.64118%0.179SC*.Hα-helixtrans-61.1-32.7176-69.2171.5000111.3R88 G94R88-I92 HydrophobicContact CG-CD1 3.87Å; R88-I92 WeakPolarHBondContact O-CB 3.48Å; R88-I92 VanDerWaalsContact O-CG1 3.27Å; R88-I92 WeakPolarHBondContact O-CG1 3.34Å; R88-I92 PolarHBondContact O-N 2.95Å; I92-G94 VanDerWaalsContact C-N 3.3Å; I92-G94 PolarHBondContact O-N 3.37Å
93N93Very high90Very high57 Ų5738.7 Ų38.731%0.30519%0.186SC..THydrogen-bonded Turntrans-91.722.2177.1-68.4-78.4000113.8V64 F69 L89 A90 Q91 A95V64-N93 HydrophobicContact CG1-CB 3.96Å; F69-N93 HydrophobicContact CD2-CB 4.11Å; F69-N93 HydrophobicContact CE2-CB 4.48Å; F69-N93 PolarHBondContact N-O 3.47Å; L89-N93 WeakPolarHBondContact O-CB 3.47Å; L89-N93 PolarHBondContact O-N 2.59Å; L89-N93 PolarHBondContact O-ND2 3.09Å; A90-N93 CarbonylContact O-C 3.58Å; A90-N93 PolarHBondContact O-N 2.93Å; Q91-N93 PolarHBondContact O-N 3.06Å; N93-A95 PolarHBondContact O-N 3.18Å
94G90.9Very high89.3Confident35 Ų3542.6 Ų42.636%0.36121%0.208SC..THydrogen-bonded Turntrans80.713.8165.800000116.5F69 A90 Q91 I92F69-G94 CarbonylContact O-C 3.54Å; A90-G94 PolarHBondContact O-N 3.13Å; Q91-G94 PolarHBondContact O-N 3.35Å; I92-G94 VanDerWaalsContact C-N 3.3Å; I92-G94 PolarHBondContact O-N 3.37Å
95A92.7Very high88.2Confident5 Ų546.9 Ų46.94%0.04122%0.224CC..  trans-61.2155.1173.700000112.1F69 P74 A90 N93 I121F69-A95 HydrophobicContact CB-CB 3.86Å; F69-A95 HydrophobicContact CD2-CB 4.34Å; F69-A95 HydrophobicContact CG-CB 4.45Å; P74-A95 HydrophobicContact CG-CB 4.19Å; A90-A95 HydrophobicContact CB-CB 3.88Å; A90-A95 WeakPolarHBondContact O-CB 3.28Å; A90-A95 PolarHBondContact O-N 3.45Å; N93-A95 PolarHBondContact O-N 3.18Å; A95-I121 HydrophobicContact CB-CD1 4.33Å
96K91Very high87.3Confident114 Ų11444.6 Ų44.650%0.49622%0.215SC..SBendtrans-108.610.2175.8-70.4-61.2-172.7-175.20114.1L48 R72 P122L48-K96 HydrophobicContact CD1-CB 3.62Å; L48-K96 HydrophobicContact CD1-CG 4.49Å; R72-K96 PolarHBondContact O-N 3.44Å; K96-P122 WeakPolarHBondContact O-CD 3.18Å
97G91.4Very high86Confident0 Ų047 Ų470%023%0.229CC..  trans159168.3-176.400000109P74 P122P74-G97 WeakPolarHBondContact CD-O 3.41Å; G97-P122 CarbonylContact C-O 3.55Å; G97-P122 VanDerWaalsContact CA-O 3.26Å; G97-P122 WeakPolarHBondContact CA-O 3.13Å
98I92.2Very high84.8Confident0 Ų049.5 Ų49.50%025%0.245CC..EExtended strand (participates in β ladder)trans-146.1134178.5-180174.6000111L58 P74 V76 K86 V87 A90 I100 I121 P122 V123 A124L58-I98 HydrophobicContact CD2-CD1 4.27Å; P74-I98 HydrophobicContact CG-CB 4.41Å; P74-I98 HydrophobicContact CG-CG1 4.28Å; V76-I98 HydrophobicContact CG1-CD1 4.44Å; V76-I98 HydrophobicContact CG2-CD1 3.96Å; V76-I98 HydrophobicContact CG2-CG1 4.26Å; K86-I98 HydrophobicContact CB-CD1 4.3Å; V87-I98 HydrophobicContact CG2-CG2 3.8Å; A90-I98 HydrophobicContact CB-CB 4.49Å; A90-I98 HydrophobicContact CB-CD1 4.03Å; I98-I100 HydrophobicContact CD1-CG1 4.24Å; I98-I100 HydrophobicContact CG1-CG1 4.09Å; I98-I121 HydrophobicContact CG2-CD1 4.17Å; I98-P122 PolarHBondContact N-O 3.21Å; I98-V123 HydrophobicContact CG2-CB 4.34Å; I98-V123 HydrophobicContact CG2-CG1 4.21Å; I98-V123 HydrophobicContact CG2-CG2 3.93Å; I98-A124 PolarHBondContact O-N 3.32Å; I98-A124 VanDerWaalsContact O-N 3.07Å
99L92.3Very high83.6Confident0 Ų043.9 Ų43.90%022%0.224CC..EExtended strand (participates in β ladder)trans-104.2119.5175.3-76.9163.7000109.6F16 I29 I73 P74 M75 V76 A124 V144 M146F16-L99 HydrophobicContact CZ-CD1 4.23Å; I29-L99 HydrophobicContact CG2-CD2 3.88Å; I73-L99 HydrophobicContact CG2-CB 4.44Å; I73-L99 HydrophobicContact CG2-CD1 3.94Å; I73-L99 HydrophobicContact CG2-CG 4Å; P74-L99 PolarHBondContact O-N 3.13Å; M75-L99 CarbonylContact C-O 3.41Å; M75-L99 WeakPolarHBondContact CA-O 3.44Å; M75-L99 HydrophobicContact CB-CB 4.21Å; M75-L99 HydrophobicContact CG-CB 3.99Å; V76-L99 PolarHBondContact N-O 2.94Å; L99-A124 CarbonylContact C-O 3.58Å; L99-A124 WeakPolarHBondContact CA-O 3.32Å; L99-A124 HydrophobicContact CD2-CB 3.8Å; L99-V144 HydrophobicContact CD1-CG1 4.2Å; L99-V144 HydrophobicContact CD1-CG2 4.39Å; L99-M146 HydrophobicContact CD2-SD 3.96Å; L99-M146 HydrophobicContact CG-SD 4.24Å
100I91.8Very high82.2Confident0 Ų045.5 Ų45.50%024%0.243CC..EExtended strand (participates in β ladder)trans-108.7107-176.8-57.5176.2000109.1V76 R78 F83 K86 V87 I98 S102 V123 A124 L125 L126V76-I100 HydrophobicContact CG2-CB 4.48Å; V76-I100 HydrophobicContact CG2-CG1 3.98Å; R78-I100 HydrophobicContact CB-CG2 4.34Å; F83-I100 HydrophobicContact CD1-CD1 3.85Å; F83-I100 HydrophobicContact CE1-CD1 4.46Å; F83-I100 HydrophobicContact CE1-CG2 4.38Å; K86-I100 HydrophobicContact CD-CD1 4.1Å; V87-I100 HydrophobicContact CG2-CD1 4.48Å; I98-I100 HydrophobicContact CD1-CG1 4.24Å; I98-I100 HydrophobicContact CG1-CG1 4.09Å; I100-S102 PolarHBondContact O-N 2.82Å; I100-V123 HydrophobicContact CD1-CG1 3.94Å; I100-A124 PolarHBondContact N-O 3.46Å; I100-L125 HydrophobicContact CB-CG 4.43Å; I100-L125 CarbonylContact O-C 3.56Å; I100-L125 WeakPolarHBondContact O-CA 3.27Å; I100-L126 PolarHBondContact O-N 3.04Å
101V90.8Very high80.9Confident0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-82.1116.1-174.5-175.60000110.2T54 M75 V76 M77 R78 L126 Y128 M131T54-V101 HydrophobicContact CG2-CG2 4.13Å; M75-V101 HydrophobicContact CG-CG2 3.58Å; M75-V101 HydrophobicContact SD-CG2 4.15Å; V76-V101 PolarHBondContact O-N 3.05Å; M77-V101 HydrophobicContact SD-CB 3.81Å; M77-V101 HydrophobicContact SD-CG1 3.84Å; R78-V101 WeakPolarHBondContact CB-O 3.28Å; R78-V101 PolarHBondContact N-O 3.49Å; V101-L126 CarbonylContact C-O 3.52Å; V101-L126 WeakPolarHBondContact CA-O 3.45Å; V101-Y128 HydrophobicContact CG1-CD2 4.04Å; V101-M131 HydrophobicContact CG1-CB 3.75Å; V101-M131 HydrophobicContact CG1-CE 4.2Å; V101-M131 HydrophobicContact CG1-CG 4.06Å; V101-M131 HydrophobicContact CG2-CB 4.18Å; V101-M131 HydrophobicContact CG2-CG 3.98Å
102S86.8Confident79.9Confident0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-104.2135.9-179.8-167.80000111R78 I100 D104 L126 Y128R78-S102 WeakPolarHBondContact CD-OG 3.13Å; R78-S102 PolarHBondContact NH1-OG 3.38Å; I100-S102 PolarHBondContact O-N 2.82Å; S102-D104 WeakPolarHBondContact CB-O 3.29Å; S102-D104 PolarHBondContact OG-N 2.81Å; S102-D104 PolarHBondContact OG-O 2.95Å; S102-L126 PolarHBondContact N-O 3.45Å; S102-Y128 WeakPolarHBondContact O-CB 3.42Å; S102-Y128 PolarHBondContact O-N 3.22Å
103K81.1Confident78.7Confident135 Ų13551.3 Ų51.359%0.58728%0.277SS*.SBendtrans-83.4-36.9167.9-75.6177.4176.5178.20111.4M77 Y128M77-K103 HydrophobicContact CE-CD 4.28Å; M77-K103 HydrophobicContact CE-CG 4.09Å; K103-Y128 HydrophobicContact CD-CD2 4.44Å; K103-Y128 HydrophobicContact CD-CG 4.48Å; K103-Y128 VanDerWaalsContact CE-CE2 3.42Å; K103-Y128 HydrophobicContact CG-CD1 4.05Å; K103-Y128 HydrophobicContact CG-CD2 3.83Å; K103-Y128 HydrophobicContact CG-CE2 4.44Å; K103-Y128 HydrophobicContact CG-CG 3.62Å
104D70.4Confident77.7Confident107 Ų10754.5 Ų54.557%0.57229%0.294SS*.SBendtrans-82.6166.2175.5-20.8-73.7000109.6S102 L106S102-D104 WeakPolarHBondContact CB-O 3.29Å; S102-D104 PolarHBondContact OG-N 2.81Å; S102-D104 PolarHBondContact OG-O 2.95Å; D104-L106 PolarHBondContact O-N 3.41Å
105R63.3Low76.7Confident118 Ų11855.1 Ų55.145%0.44529%0.288SS..  trans-48.1139.8-179.7-172.1178.9178-141.20.3112.3R78 T107 S368R78-R105 PolarHBondContact NH1-O 2.97Å; R78-R105 VanDerWaalsContact NH1-O 3.14Å; R105-T107 PolarHBondContact O-N 3.4Å; R105-S368 WeakPolarHBondContact CD-OG 3.45Å
106L68.3Low75.5Confident41 Ų4156.6 Ų56.622%0.21529%0.293CS..  trans-65.495.8176.9-56.5176.6000109.9F30 D104 L125F30-L106 HydrophobicContact CB-CB 3.93Å; F30-L106 HydrophobicContact CB-CD1 4.19Å; F30-L106 HydrophobicContact CG-CB 4.39Å; D104-L106 PolarHBondContact O-N 3.41Å; L106-L125 HydrophobicContact CD2-CB 3.81Å
107T63.1Low74.6Confident52 Ų5259.7 Ų59.732%0.31931%0.309SS..  trans-89.6145.9173.3510000110R78 R105 L125R78-T107 PolarHBondContact NH1-OG1 3.32Å; R78-T107 PolarHBondContact NH2-OG1 3.02Å; R105-T107 PolarHBondContact O-N 3.4Å; T107-L125 VanDerWaalsContact O-CD2 3.23Å; T107-L125 WeakPolarHBondContact O-CD2 3.25Å
108P63.8Low73.9Confident52 Ų5264.4 Ų64.434%0.33833%0.331SS..  trans-57.6142.7179.421.2-29.8000111.2F30 A110F30-P108 HydrophobicContact CE1-CB 3.76Å; F30-P108 HydrophobicContact CE1-CG 4.28Å; P108-A110 PolarHBondContact O-N 3.19Å
109P65.5Low73.4Confident1 Ų164.9 Ų64.91%0.00633%0.333CS..  trans-64.1109.3175.926.4-32.1000108.8K32 W35 F83 L125K32-P109 HydrophobicContact CB-CG 3.87Å; W35-P109 HydrophobicContact CD2-CB 4.41Å; W35-P109 HydrophobicContact CD2-CG 4.42Å; W35-P109 HydrophobicContact CE3-CB 4.34Å; W35-P109 HydrophobicContact CH2-CB 3.9Å; W35-P109 HydrophobicContact CZ2-CB 3.94Å; W35-P109 VanDerWaalsContact CZ2-O 3.26Å; W35-P109 WeakPolarHBondContact CZ2-O 3.45Å; W35-P109 HydrophobicContact CZ3-CB 4.1Å; F83-P109 HydrophobicContact CB-CB 4.18Å; F83-P109 HydrophobicContact CD1-CB 4.06Å; F83-P109 HydrophobicContact CD2-CB 4.34Å; F83-P109 HydrophobicContact CG-CB 3.95Å; P109-L125 HydrophobicContact CB-CD1 4.21Å; P109-L125 HydrophobicContact CG-CD1 4.19Å
110A62.2Low72.9Confident66 Ų6671.5 Ų71.555%0.54537%0.368SS..  trans-93.2148.1-176.400000111.3P108P108-A110 PolarHBondContact O-N 3.19Å
111G64.7Low72.8Confident24 Ų2472 Ų7225%0.24737%0.371CS..  trans178.7172.9-179.600000109.8Y116G111-Y116 WeakPolarHBondContact O-CE1 3.34Å; G111-Y116 VanDerWaalsContact O-CZ 3.24Å; G111-Y116 PolarHBondContact O-OH 3.48Å
112N71.3Confident72.7Confident114 Ų11473.4 Ų73.461%0.6138%0.38SS*.  trans-80.5158.4177.4-61-25.5000111.1N114 Q115 Y116N112-N114 PolarHBondContact O-N 3.36Å; N112-Q115 HydrophobicContact CB-CG 4.3Å; N112-Q115 WeakPolarHBondContact O-CA 3.48Å; N112-Q115 WeakPolarHBondContact O-CB 3.44Å; N112-Q115 PolarHBondContact O-N 3.42Å; N112-Y116 WeakPolarHBondContact O-CD1 3.36Å; N112-Y116 WeakPolarHBondContact O-CE1 3.33Å
113E66.7Low72.8Confident156 Ų15673.6 Ų73.673%0.72938%0.381SS*.G310 helixtrans-57.9-45-177.1-61.8-174.3139.800112.5Q115 Y116E113-Q115 PolarHBondContact O-N 2.84Å; E113-Q115 VanDerWaalsContact O-N 3.11Å; E113-Y116 WeakPolarHBondContact O-CB 3.42Å; E113-Y116 PolarHBondContact O-N 3.2Å
114N71Confident73.2Confident125 Ų12567.2 Ų67.267%0.66835%0.354SS*.G310 helixtrans-58.4-24.4174.7-53.547000113.7N112 Y116N112-N114 PolarHBondContact O-N 3.36Å; N114-Y116 VanDerWaalsContact C-N 3.3Å
115Q70.1Confident74Confident47 Ų4762.1 Ų62.122%0.2233%0.326CS..G310 helixtrans-80.9-12.5177.7-67.3177.7-50.600112.6Y84 N112 E113 I119Y84-Q115 VanDerWaalsContact CD1-NE2 3.33Å; Y84-Q115 HydrophobicContact CD2-CB 3.66Å; Y84-Q115 HydrophobicContact CD2-CG 3.95Å; Y84-Q115 HydrophobicContact CE2-CB 4Å; Y84-Q115 HydrophobicContact CE2-CG 4.06Å; Y84-Q115 HydrophobicContact CG-CB 4.21Å; Y84-Q115 HydrophobicContact CG-CG 4.19Å; N112-Q115 HydrophobicContact CB-CG 4.3Å; N112-Q115 WeakPolarHBondContact O-CA 3.48Å; N112-Q115 WeakPolarHBondContact O-CB 3.44Å; N112-Q115 PolarHBondContact O-N 3.42Å; E113-Q115 PolarHBondContact O-N 2.84Å; E113-Q115 VanDerWaalsContact O-N 3.11Å; Q115-I119 WeakPolarHBondContact O-CD1 3.41Å; Q115-I119 WeakPolarHBondContact O-CG1 3.47Å
116Y68.9Low75.3Confident37 Ų3756.5 Ų56.515%0.14531%0.305CS..THydrogen-bonded Turntrans-83.3-32.2175.8-52-19.3000111.1K32 Q34 W35 G111 N112 E113 N114 E118 I119K32-Y116 PolarHBondContact NZ-OH 2.95Å; Q34-Y116 HydrophobicContact CB-CD2 4.46Å; W35-Y116 AromaticContact CD1-CD1 3.74Å; W35-Y116 HydrophobicContact CD2-CD1 4.49Å; W35-Y116 AromaticContact CE2-CD1 3.66Å; W35-Y116 AromaticContact CE2-CE1 3.61Å; W35-Y116 HydrophobicContact CZ2-CD1 4.03Å; W35-Y116 AromaticContact CZ2-CE1 3.71Å; W35-Y116 HydrophobicContact CZ2-CE1 3.71Å; W35-Y116 AromaticContact NE1-CD1 3.12Å; W35-Y116 AromaticContact NE1-CE1 3.08Å; W35-Y116 AromaticContact NE1-CG 3.83Å; W35-Y116 AromaticContact NE1-CZ 3.72Å; G111-Y116 WeakPolarHBondContact O-CE1 3.34Å; G111-Y116 VanDerWaalsContact O-CZ 3.24Å; G111-Y116 PolarHBondContact O-OH 3.48Å; N112-Y116 WeakPolarHBondContact O-CD1 3.36Å; N112-Y116 WeakPolarHBondContact O-CE1 3.33Å; E113-Y116 WeakPolarHBondContact O-CB 3.42Å; E113-Y116 PolarHBondContact O-N 3.2Å; N114-Y116 VanDerWaalsContact C-N 3.3Å; Y116-E118 PolarHBondContact O-N 3.17Å; Y116-I119 PolarHBondContact O-N 3.48Å
117E70.1Confident76.2Confident178 Ų17856 Ų5683%0.83231%0.305SS*.THydrogen-bonded Turntrans-69.8-17.1177.9-59.8-170.3149.300113.8
118E77.1Confident77.3Confident99 Ų9957.1 Ų57.146%0.46330%0.304SS..THydrogen-bonded Turntrans-89.1-6.2175.6-68.1-167.3-159.600114Y84 R88 Q91 Y116Y84-E118 HydrophobicContact CE2-CB 4.43Å; Y84-E118 PolarHBondContact OH-OE2 3.48Å; R88-E118 IonicContact CZ-OE2 3.23Å; R88-E118 IonicContact NE-OE2 3.36Å; R88-E118 IonicContact NH2-OE2 2.87Å; R88-E118 PolarHBondContact NH2-OE2 3.35Å; Q91-E118 PolarHBondContact NE2-O 2.83Å; Y116-E118 PolarHBondContact O-N 3.17Å
119I81.3Confident78.3Confident11 Ų1159 Ų596%0.05632%0.315CS..  trans-105.9120.2-172.7-64.3174000110.5W35 Y84 V87 Q115 Y116 V123W35-I119 HydrophobicContact CB-CG2 4.35Å; W35-I119 HydrophobicContact CD2-CD1 4.02Å; W35-I119 HydrophobicContact CE3-CD1 3.43Å; W35-I119 VanDerWaalsContact CE3-CD1 3.43Å; W35-I119 HydrophobicContact CH2-CD1 4.24Å; W35-I119 HydrophobicContact CZ3-CD1 3.55Å; Y84-I119 HydrophobicContact CD2-CD1 4.2Å; V87-I119 HydrophobicContact CB-CD1 4.47Å; V87-I119 HydrophobicContact CG1-CD1 3.97Å; V87-I119 HydrophobicContact CG1-CG1 4.05Å; V87-I119 HydrophobicContact CG1-CG2 3.76Å; Q115-I119 WeakPolarHBondContact O-CD1 3.41Å; Q115-I119 WeakPolarHBondContact O-CG1 3.47Å; Y116-I119 PolarHBondContact O-N 3.48Å; I119-V123 HydrophobicContact CG2-CG2 4.3Å
120D83.7Confident79.3Confident138 Ų13860.8 Ų60.874%0.73832%0.324SS*.  trans-105.1-14.3177.4-71.9-58.9000113
121I88.1Confident80.6Confident12 Ų1258.1 Ų58.16%0.06230%0.3CS..SBendtrans-103.5143-171.168.5169.8000112.7V87 A90 Q91 A95 I98 V123V87-I121 HydrophobicContact CG1-CD1 4.14Å; V87-I121 HydrophobicContact CG1-CG1 3.89Å; A90-I121 HydrophobicContact CB-CD1 4.19Å; Q91-I121 HydrophobicContact CB-CD1 3.93Å; Q91-I121 HydrophobicContact CB-CG1 4.25Å; Q91-I121 HydrophobicContact CB-CG2 4.4Å; Q91-I121 HydrophobicContact CG-CG2 4.05Å; A95-I121 HydrophobicContact CB-CD1 4.33Å; I98-I121 HydrophobicContact CG2-CD1 4.17Å; I121-V123 WeakPolarHBondContact O-CG2 3.33Å; I121-V123 PolarHBondContact O-N 2.98Å
122P88.6Confident81.8Confident28 Ų2859.9 Ų59.918%0.18230%0.304CS..  trans-66.1127.8176.525.4-33.2000112.3A36 L38 K96 G97 I98 M146A36-P122 HydrophobicContact CB-CB 4.16Å; L38-P122 HydrophobicContact CD2-CB 3.7Å; L38-P122 HydrophobicContact CD2-CG 4.47Å; K96-P122 WeakPolarHBondContact O-CD 3.18Å; G97-P122 CarbonylContact C-O 3.55Å; G97-P122 VanDerWaalsContact CA-O 3.26Å; G97-P122 WeakPolarHBondContact CA-O 3.13Å; I98-P122 PolarHBondContact N-O 3.21Å; P122-M146 HydrophobicContact CB-CE 3.83Å; P122-M146 HydrophobicContact CG-CE 3.64Å
123V88.8Confident82.6Confident4 Ų456.9 Ų56.92%0.02429%0.288CS..EExtended strand (participates in β ladder)trans-114.1115.5-178.8-175.30000109F31 W35 V87 I98 I100 I119 I121F31-V123 WeakPolarHBondContact CB-O 3.19Å; W35-V123 HydrophobicContact CE3-CB 3.95Å; W35-V123 HydrophobicContact CE3-CG1 4.14Å; W35-V123 HydrophobicContact CE3-CG2 3.74Å; W35-V123 HydrophobicContact CZ3-CG1 4.29Å; W35-V123 HydrophobicContact CZ3-CG2 4.37Å; V87-V123 HydrophobicContact CB-CG2 4.15Å; V87-V123 HydrophobicContact CG1-CG2 3.55Å; V87-V123 HydrophobicContact CG2-CB 4.2Å; V87-V123 HydrophobicContact CG2-CG1 3.66Å; V87-V123 HydrophobicContact CG2-CG2 3.43Å; V87-V123 VanDerWaalsContact CG2-CG2 3.43Å; I98-V123 HydrophobicContact CG2-CB 4.34Å; I98-V123 HydrophobicContact CG2-CG1 4.21Å; I98-V123 HydrophobicContact CG2-CG2 3.93Å; I100-V123 HydrophobicContact CD1-CG1 3.94Å; I119-V123 HydrophobicContact CG2-CG2 4.3Å; I121-V123 WeakPolarHBondContact O-CG2 3.33Å; I121-V123 PolarHBondContact O-N 2.98Å
124A89.4Confident83.6Confident1 Ų149.4 Ų49.41%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-128.7134.2-173.800000110I29 I98 L99 I100 M146I29-A124 HydrophobicContact CB-CB 4Å; I29-A124 HydrophobicContact CD1-CB 3.73Å; I29-A124 HydrophobicContact CG1-CB 4.4Å; I29-A124 HydrophobicContact CG2-CB 4.18Å; I98-A124 PolarHBondContact O-N 3.32Å; I98-A124 VanDerWaalsContact O-N 3.07Å; L99-A124 CarbonylContact C-O 3.58Å; L99-A124 WeakPolarHBondContact CA-O 3.32Å; L99-A124 HydrophobicContact CD2-CB 3.8Å; I100-A124 PolarHBondContact N-O 3.46Å; A124-M146 HydrophobicContact CB-SD 3.73Å
125L88.7Confident84.4Confident0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-95.3139.2171.8-66.477.2000109.9I29 F30 F83 I100 L106 T107 P109I29-L125 CarbonylContact C-O 3.54Å; I29-L125 WeakPolarHBondContact CA-O 3.5Å; F30-L125 HydrophobicContact CB-CB 4.48Å; F30-L125 PolarHBondContact N-O 3.01Å; F30-L125 WeakPolarHBondContact O-CD1 3.37Å; F30-L125 PolarHBondContact O-N 3.47Å; F83-L125 HydrophobicContact CE1-CD1 4.17Å; F83-L125 HydrophobicContact CE1-CD2 3.77Å; F83-L125 HydrophobicContact CE1-CG 4.09Å; F83-L125 HydrophobicContact CZ-CD2 3.98Å; I100-L125 HydrophobicContact CB-CG 4.43Å; I100-L125 CarbonylContact O-C 3.56Å; I100-L125 WeakPolarHBondContact O-CA 3.27Å; L106-L125 HydrophobicContact CD2-CB 3.81Å; T107-L125 VanDerWaalsContact O-CD2 3.23Å; T107-L125 WeakPolarHBondContact O-CD2 3.25Å; P109-L125 HydrophobicContact CB-CD1 4.21Å; P109-L125 HydrophobicContact CG-CD1 4.19Å
126L89.4Confident85.3Confident0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-122.4146.2178.9-179.263.7000109.5F16 C28 I29 M75 I100 V101 S102 D130 M131F16-L126 HydrophobicContact CZ-CD2 4.01Å; C28-L126 VanDerWaalsContact O-CD1 3.24Å; C28-L126 WeakPolarHBondContact O-CD1 3.2Å; I29-L126 HydrophobicContact CG2-CB 4.5Å; I29-L126 HydrophobicContact CG2-CD1 4.26Å; M75-L126 HydrophobicContact SD-CD2 4.11Å; I100-L126 PolarHBondContact O-N 3.04Å; V101-L126 CarbonylContact C-O 3.52Å; V101-L126 WeakPolarHBondContact CA-O 3.45Å; S102-L126 PolarHBondContact N-O 3.45Å; L126-D130 HydrophobicContact CD1-CB 3.72Å; L126-D130 HydrophobicContact CG-CB 4.22Å; L126-M131 HydrophobicContact CD2-CB 4.23Å
127S87.2Confident86.2Confident30 Ų3053 Ų5321%0.2128%0.275CS..EExtended strand (participates in β ladder)trans-70.1145.1174.3-177.80000111.7T129 D130 M131S127-T129 WeakPolarHBondContact CB-OG1 3.44Å; S127-T129 PolarHBondContact O-N 3.21Å; S127-T129 PolarHBondContact OG-N 3.24Å; S127-T129 PolarHBondContact OG-OG1 2.91Å; S127-D130 PolarHBondContact O-N 2.88Å; S127-D130 VanDerWaalsContact O-N 3.14Å; S127-M131 PolarHBondContact O-N 2.8Å
128Y85.9Confident87Confident77 Ų7745.5 Ų45.530%0.30224%0.24SC..Hα-helixtrans-62.7-29.9172-175.3-100000112.6M77 V101 S102 K103 D130 M131 L132M77-Y128 HydrophobicContact CE-CD2 3.89Å; M77-Y128 HydrophobicContact CE-CE2 4.22Å; M77-Y128 HydrophobicContact SD-CD2 4.08Å; M77-Y128 HydrophobicContact SD-CE2 4.28Å; V101-Y128 HydrophobicContact CG1-CD2 4.04Å; S102-Y128 WeakPolarHBondContact O-CB 3.42Å; S102-Y128 PolarHBondContact O-N 3.22Å; K103-Y128 HydrophobicContact CD-CD2 4.44Å; K103-Y128 HydrophobicContact CD-CG 4.48Å; K103-Y128 VanDerWaalsContact CE-CE2 3.42Å; K103-Y128 HydrophobicContact CG-CD1 4.05Å; K103-Y128 HydrophobicContact CG-CD2 3.83Å; K103-Y128 HydrophobicContact CG-CE2 4.44Å; K103-Y128 HydrophobicContact CG-CG 3.62Å; Y128-D130 VanDerWaalsContact C-N 3.31Å; Y128-M131 HydrophobicContact CD2-CE 3.46Å; Y128-M131 VanDerWaalsContact CD2-CE 3.46Å; Y128-M131 HydrophobicContact CE2-CE 3.38Å; Y128-M131 HydrophobicContact CG-CE 4.36Å; Y128-L132 HydrophobicContact CD1-CD1 3.93Å; Y128-L132 HydrophobicContact CD1-CG 4.38Å; Y128-L132 HydrophobicContact CE1-CD1 3.47Å; Y128-L132 VanDerWaalsContact CE1-CD1 3.47Å; Y128-L132 HydrophobicContact CE1-CG 4.06Å; Y128-L132 WeakPolarHBondContact O-CB 3.49Å; Y128-L132 WeakPolarHBondContact O-CG 3.27Å; Y128-L132 PolarHBondContact O-N 3.4Å; Y128-L132 VanDerWaalsContact O-N 3.11Å
129T84.8Confident87.2Confident91 Ų9142.5 Ų42.556%0.55824%0.235SC*.Hα-helixtrans-60.8-43.5171.348.60000111.6S127 L132 D133S127-T129 WeakPolarHBondContact CB-OG1 3.44Å; S127-T129 PolarHBondContact O-N 3.21Å; S127-T129 PolarHBondContact OG-N 3.24Å; S127-T129 PolarHBondContact OG-OG1 2.91Å; T129-L132 WeakPolarHBondContact O-CB 3.34Å; T129-L132 PolarHBondContact O-N 3.43Å; T129-D133 PolarHBondContact O-N 2.88Å; T129-D133 VanDerWaalsContact O-N 3.11Å
130D87.6Confident86.9Confident38 Ų3851.3 Ų51.320%0.20328%0.276CS..Hα-helixtrans-76-40.9-172-64.923.7000109.8Y27 L126 S127 Y128 L132 D133 V134Y27-D130 HydrophobicContact CD1-CB 3.79Å; Y27-D130 HydrophobicContact CE1-CB 4.49Å; L126-D130 HydrophobicContact CD1-CB 3.72Å; L126-D130 HydrophobicContact CG-CB 4.22Å; S127-D130 PolarHBondContact O-N 2.88Å; S127-D130 VanDerWaalsContact O-N 3.14Å; Y128-D130 VanDerWaalsContact C-N 3.31Å; D130-L132 VanDerWaalsContact C-N 3.3Å; D130-L132 PolarHBondContact O-N 3Å; D130-D133 PolarHBondContact O-N 2.98Å; D130-V134 WeakPolarHBondContact O-CB 3.42Å; D130-V134 WeakPolarHBondContact O-CG2 3.45Å; D130-V134 PolarHBondContact O-N 2.98Å
131M89.9Confident86.5Confident10 Ų1046.4 Ų46.45%0.04926%0.258CS..Hα-helixtrans-57.7-40.8169-177.9-78.9-67.200112.2T54 M75 V101 L126 S127 Y128 D133 V134 S135T54-M131 HydrophobicContact CG2-CE 4.46Å; T54-M131 HydrophobicContact CG2-CG 4.04Å; T54-M131 HydrophobicContact CG2-SD 4.17Å; M75-M131 HydrophobicContact CE-CG 3.63Å; M75-M131 HydrophobicContact SD-CG 4.08Å; V101-M131 HydrophobicContact CG1-CB 3.75Å; V101-M131 HydrophobicContact CG1-CE 4.2Å; V101-M131 HydrophobicContact CG1-CG 4.06Å; V101-M131 HydrophobicContact CG2-CB 4.18Å; V101-M131 HydrophobicContact CG2-CG 3.98Å; L126-M131 HydrophobicContact CD2-CB 4.23Å; S127-M131 PolarHBondContact O-N 2.8Å; Y128-M131 HydrophobicContact CD2-CE 3.46Å; Y128-M131 VanDerWaalsContact CD2-CE 3.46Å; Y128-M131 HydrophobicContact CE2-CE 3.38Å; Y128-M131 HydrophobicContact CG-CE 4.36Å; M131-D133 VanDerWaalsContact C-N 3.26Å; M131-D133 PolarHBondContact O-N 3.44Å; M131-V134 PolarHBondContact O-N 2.96Å; M131-S135 WeakPolarHBondContact O-CB 3.41Å; M131-S135 PolarHBondContact O-N 3.12Å; M131-S135 PolarHBondContact O-OG 3.26Å
132L89Confident86.5Confident61 Ų6146.6 Ų46.632%0.31926%0.258SS..Hα-helixtrans-69-21.5175.5-76.3-178.8000113.6Y128 T129 D130 S135 K136Y128-L132 HydrophobicContact CD1-CD1 3.93Å; Y128-L132 HydrophobicContact CD1-CG 4.38Å; Y128-L132 HydrophobicContact CE1-CD1 3.47Å; Y128-L132 VanDerWaalsContact CE1-CD1 3.47Å; Y128-L132 HydrophobicContact CE1-CG 4.06Å; Y128-L132 WeakPolarHBondContact O-CB 3.49Å; Y128-L132 WeakPolarHBondContact O-CG 3.27Å; Y128-L132 PolarHBondContact O-N 3.4Å; Y128-L132 VanDerWaalsContact O-N 3.11Å; T129-L132 WeakPolarHBondContact O-CB 3.34Å; T129-L132 PolarHBondContact O-N 3.43Å; D130-L132 VanDerWaalsContact C-N 3.3Å; D130-L132 PolarHBondContact O-N 3Å; L132-S135 WeakPolarHBondContact CA-OG 3.33Å; L132-S135 PolarHBondContact O-OG 3.04Å; L132-K136 WeakPolarHBondContact O-CD 3.34Å; L132-K136 WeakPolarHBondContact O-CE 3.44Å; L132-K136 VanDerWaalsContact O-CG 3.24Å; L132-K136 WeakPolarHBondContact O-CG 3.49Å
133D87.5Confident86.7Confident51 Ų5147.4 Ų47.427%0.27326%0.26SS..Hα-helixtrans-86.8-42.6173.6-176.480.6000111.6K25 Y27 T129 D130 M131 S135 K136 T137K25-D133 IonicContact NZ-OD1 2.64Å; K25-D133 IonicContact NZ-OD2 3.07Å; K25-D133 PolarHBondContact NZ-OD2 2.89Å; Y27-D133 HydrophobicContact CE1-CB 4.1Å; Y27-D133 WeakPolarHBondContact CE1-OD2 3.48Å; Y27-D133 VanDerWaalsContact CZ-OD2 3.3Å; Y27-D133 PolarHBondContact OH-OD2 2.97Å; T129-D133 PolarHBondContact O-N 2.88Å; T129-D133 VanDerWaalsContact O-N 3.11Å; D130-D133 PolarHBondContact O-N 2.98Å; M131-D133 VanDerWaalsContact C-N 3.26Å; M131-D133 PolarHBondContact O-N 3.44Å; D133-S135 VanDerWaalsContact C-N 3.3Å; D133-S135 PolarHBondContact O-N 2.98Å; D133-K136 PolarHBondContact O-N 3.31Å; D133-K136 VanDerWaalsContact O-N 3.17Å; D133-T137 VanDerWaalsContact O-CB 3.3Å; D133-T137 WeakPolarHBondContact O-CB 3.49Å; D133-T137 PolarHBondContact O-N 2.96Å; D133-T137 PolarHBondContact O-OG1 3.44Å
134V89.3Confident86.8Confident0 Ų047.2 Ų47.20%026%0.259CS..Hα-helixtrans-52.6-47.4169.9165.20000111.1F16 Y27 D130 M131 K136 T137 F138F16-V134 HydrophobicContact CD1-CB 4.36Å; F16-V134 HydrophobicContact CD1-CG1 3.45Å; F16-V134 VanDerWaalsContact CD1-CG1 3.45Å; F16-V134 HydrophobicContact CD1-CG2 3.88Å; F16-V134 HydrophobicContact CD2-CG2 4.07Å; F16-V134 HydrophobicContact CE1-CB 4.28Å; F16-V134 HydrophobicContact CE1-CG1 3.46Å; F16-V134 VanDerWaalsContact CE1-CG1 3.46Å; F16-V134 HydrophobicContact CE1-CG2 3.79Å; F16-V134 HydrophobicContact CE2-CG2 4Å; F16-V134 HydrophobicContact CG-CG1 4.29Å; F16-V134 HydrophobicContact CG-CG2 4.01Å; F16-V134 HydrophobicContact CZ-CG1 4.31Å; F16-V134 HydrophobicContact CZ-CG2 3.87Å; Y27-V134 HydrophobicContact CD1-CG2 4.12Å; Y27-V134 HydrophobicContact CD2-CG2 3.81Å; Y27-V134 HydrophobicContact CE1-CG2 3.79Å; Y27-V134 HydrophobicContact CE2-CG2 3.46Å; Y27-V134 VanDerWaalsContact CE2-CG2 3.46Å; Y27-V134 HydrophobicContact CG-CG2 4.1Å; Y27-V134 VanDerWaalsContact CZ-CG2 3.42Å; D130-V134 WeakPolarHBondContact O-CB 3.42Å; D130-V134 WeakPolarHBondContact O-CG2 3.45Å; D130-V134 PolarHBondContact O-N 2.98Å; M131-V134 PolarHBondContact O-N 2.96Å; V134-K136 VanDerWaalsContact C-N 3.28Å; V134-K136 PolarHBondContact O-N 3.44Å; V134-T137 PolarHBondContact O-N 2.96Å; V134-F138 HydrophobicContact CG1-CD2 4.47Å; V134-F138 PolarHBondContact O-N 2.92Å
135S88Confident86.9Confident52 Ų5247.1 Ų47.136%0.36426%0.259SS..Hα-helixtrans-72.5-16.5-177.553.30000114.4M131 L132 D133M131-S135 WeakPolarHBondContact O-CB 3.41Å; M131-S135 PolarHBondContact O-N 3.12Å; M131-S135 PolarHBondContact O-OG 3.26Å; L132-S135 WeakPolarHBondContact CA-OG 3.33Å; L132-S135 PolarHBondContact O-OG 3.04Å; D133-S135 VanDerWaalsContact C-N 3.3Å; D133-S135 PolarHBondContact O-N 2.98Å
136K88.8Confident87Confident164 Ų16447.7 Ų47.771%0.71326%0.261SS*.Hα-helixtrans-89.6-31.8169.2-67.3166.5-166.1159.50112.6L132 D133 V134L132-K136 WeakPolarHBondContact O-CD 3.34Å; L132-K136 WeakPolarHBondContact O-CE 3.44Å; L132-K136 VanDerWaalsContact O-CG 3.24Å; L132-K136 WeakPolarHBondContact O-CG 3.49Å; D133-K136 PolarHBondContact O-N 3.31Å; D133-K136 VanDerWaalsContact O-N 3.17Å; V134-K136 VanDerWaalsContact C-N 3.28Å; V134-K136 PolarHBondContact O-N 3.44Å
137T86.4Confident86.9Confident69 Ų6948.5 Ų48.542%0.42327%0.265SS..Hα-helixtrans-88.8-34.1-171.4-550000112.7D133 V134D133-T137 VanDerWaalsContact O-CB 3.3Å; D133-T137 WeakPolarHBondContact O-CB 3.49Å; D133-T137 PolarHBondContact O-N 2.96Å; D133-T137 PolarHBondContact O-OG1 3.44Å; V134-T137 PolarHBondContact O-N 2.96Å
138F87.3Confident86.7Confident20 Ų2047.9 Ų47.99%0.08826%0.261CS..SBendtrans-124.4144.7-172.2-58.1-79.4000113.1F16 K25 Y27 V134 R142F16-F138 HydrophobicContact CB-CD2 3.94Å; F16-F138 HydrophobicContact CB-CE2 3.78Å; F16-F138 HydrophobicContact CB-CG 4.48Å; F16-F138 HydrophobicContact CB-CZ 4.18Å; F16-F138 WeakPolarHBondContact O-CE1 3.44Å; F16-F138 VanDerWaalsContact O-CZ 3.23Å; F16-F138 WeakPolarHBondContact O-CZ 3.09Å; K25-F138 HydrophobicContact CB-CE2 4.12Å; K25-F138 HydrophobicContact CB-CZ 3.81Å; Y27-F138 HydrophobicContact CE2-CE2 4.02Å; V134-F138 HydrophobicContact CG1-CD2 4.47Å; V134-F138 PolarHBondContact O-N 2.92Å; F138-R142 HydrophobicContact CB-CB 3.77Å; F138-R142 HydrophobicContact CB-CG 4.47Å
139G82.3Confident86.1Confident35 Ų3545.5 Ų45.536%0.36126%0.255SS..  trans-78.7-178.7-174.600000115D18 G141 R142D18-G139 PolarHBondContact OD1-N 2.75Å; G139-G141 PolarHBondContact O-N 3.32Å; G139-R142 WeakPolarHBondContact O-CB 3.48Å; G139-R142 WeakPolarHBondContact O-CG 3.34Å; G139-R142 PolarHBondContact O-N 2.72Å; G139-R142 VanDerWaalsContact O-N 3.11Å
140Q73.6Confident85.1Confident196 Ų19646.2 Ų46.292%0.91626%0.256SS*.THydrogen-bonded Turntrans-64-8.6175.7-68.4-178.6-20.900114.2
141G75.7Confident83.8Confident35 Ų3548 Ų4836%0.36126%0.263SS..THydrogen-bonded Turntrans-98.213.7174.200000114.8G139G139-G141 PolarHBondContact O-N 3.32Å
142R89.4Confident82.4Confident17 Ų1750.5 Ų50.56%0.06428%0.28CS..EExtended strand (participates in β ladder)trans-65.6136.2-173.768.8-171.4-177.3-129.1-9.9113.8S17 I50 D52 F138 G139S17-R142 WeakPolarHBondContact O-CA 3.25Å; I50-R142 HydrophobicContact CB-CG 4.36Å; I50-R142 HydrophobicContact CD1-CG 4.1Å; I50-R142 PolarHBondContact N-O 2.89Å; D52-R142 IonicContact OD2-CZ 3.84Å; D52-R142 IonicContact OD2-NH1 2.67Å; D52-R142 IonicContact OD2-NH2 3.58Å; D52-R142 PolarHBondContact OD2-NH2 2.79Å; F138-R142 HydrophobicContact CB-CB 3.77Å; F138-R142 HydrophobicContact CB-CG 4.47Å; G139-R142 WeakPolarHBondContact O-CB 3.48Å; G139-R142 WeakPolarHBondContact O-CG 3.34Å; G139-R142 PolarHBondContact O-N 2.72Å; G139-R142 VanDerWaalsContact O-N 3.11Å
143L91.1Very high80.9Confident44 Ų4453.2 Ų53.223%0.2330%0.299CS..EExtended strand (participates in β ladder)trans-96.6151.4172-58.9173.9000109.2F16 S17 A19 H47 L48 Q49F16-L143 WeakPolarHBondContact CA-O 3.17Å; S17-L143 PolarHBondContact N-O 2.94Å; S17-L143 PolarHBondContact O-N 3.48Å; A19-L143 HydrophobicContact CB-CD1 4.42Å; A19-L143 HydrophobicContact CB-CG 4.5Å; H47-L143 HydrophobicContact CB-CB 4.42Å; H47-L143 HydrophobicContact CB-CD1 4.37Å; L48-L143 CarbonylContact O-C 3.48Å; L48-L143 WeakPolarHBondContact O-CA 3.2Å; Q49-L143 HydrophobicContact CB-CD2 4.29Å
144V91.8Very high79.8Confident0 Ų056 Ų560%031%0.313CS..EExtended strand (participates in β ladder)trans-129.9141.9166.870.50000111.1A14 H15 F16 H47 L48 I50 I73 L99 M146A14-V144 HydrophobicContact CB-CG2 3.87Å; H15-V144 CarbonylContact O-C 3.41Å; H15-V144 VanDerWaalsContact O-CA 3.26Å; H15-V144 WeakPolarHBondContact O-CA 3.13Å; F16-V144 HydrophobicContact CD1-CB 4.41Å; F16-V144 HydrophobicContact CD1-CG2 4.36Å; F16-V144 HydrophobicContact CD2-CG2 4.01Å; F16-V144 HydrophobicContact CE1-CB 4.47Å; F16-V144 HydrophobicContact CE1-CG2 4.26Å; F16-V144 HydrophobicContact CE2-CG2 3.91Å; F16-V144 HydrophobicContact CG-CG2 4.25Å; F16-V144 HydrophobicContact CZ-CG2 4.04Å; H47-V144 WeakPolarHBondContact CA-O 3.45Å; L48-V144 PolarHBondContact N-O 3.42Å; L48-V144 PolarHBondContact O-N 3.33Å; I50-V144 HydrophobicContact CD1-CB 3.65Å; I50-V144 HydrophobicContact CD1-CG1 3.8Å; I50-V144 HydrophobicContact CD1-CG2 4.47Å; I50-V144 HydrophobicContact CG1-CB 3.96Å; I50-V144 HydrophobicContact CG1-CG1 3.55Å; I73-V144 HydrophobicContact CB-CG1 4.35Å; I73-V144 HydrophobicContact CD1-CG1 3.64Å; I73-V144 HydrophobicContact CG2-CG1 4.44Å; L99-V144 HydrophobicContact CD1-CG1 4.2Å; L99-V144 HydrophobicContact CD1-CG2 4.39Å; V144-M146 HydrophobicContact CG2-CG 4.46Å
145A91.3Very high78.9Confident0 Ų056.3 Ų56.30%031%0.314CS..EExtended strand (participates in β ladder)trans-124.8121.9169.500000108.8H15 L42 A45H15-A145 HydrophobicContact CB-CB 4.46Å; H15-A145 PolarHBondContact N-O 3.14Å; H15-A145 PolarHBondContact O-N 3.06Å; L42-A145 HydrophobicContact CD1-CB 3.69Å; A45-A145 HydrophobicContact CB-CB 3.83Å
146M90.2Very high78.5Confident11 Ų1161.3 Ų61.35%0.05433%0.326CS..EExtended strand (participates in β ladder)trans-98.8128.5-179.6-61.3-176-62.100109.9M13 A14 I29 L38 P39 I73 L99 P122 A124 V144M13-M146 WeakPolarHBondContact O-CA 3.4Å; A14-M146 HydrophobicContact CB-CG 4.36Å; I29-M146 HydrophobicContact CD1-CB 4.03Å; I29-M146 HydrophobicContact CD1-CG 4.02Å; I29-M146 HydrophobicContact CD1-SD 4.16Å; L38-M146 HydrophobicContact CD1-CB 4.29Å; L38-M146 HydrophobicContact CD2-CB 3.67Å; P39-M146 WeakPolarHBondContact CD-O 3.27Å; I73-M146 HydrophobicContact CD1-CE 3.96Å; L99-M146 HydrophobicContact CD2-SD 3.96Å; L99-M146 HydrophobicContact CG-SD 4.24Å; P122-M146 HydrophobicContact CB-CE 3.83Å; P122-M146 HydrophobicContact CG-CE 3.64Å; A124-M146 HydrophobicContact CB-SD 3.73Å; V144-M146 HydrophobicContact CG2-CG 4.46Å
147Y87.1Confident78Confident17 Ų1753.5 Ų53.57%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-143.9154.4-177.872.7-79.2000111.6M13 H15 D26 P39 L42 P149 P389M13-Y147 HydrophobicContact CB-CD1 3.72Å; M13-Y147 HydrophobicContact CB-CD2 4.4Å; M13-Y147 HydrophobicContact CB-CE1 3.31Å; M13-Y147 HydrophobicContact CB-CE2 4.05Å; M13-Y147 HydrophobicContact CB-CG 4.25Å; M13-Y147 HydrophobicContact CG-CE1 4.17Å; M13-Y147 HydrophobicContact CG-CE2 4.24Å; M13-Y147 PolarHBondContact N-O 2.94Å; M13-Y147 PolarHBondContact O-N 3.45Å; H15-Y147 HydrophobicContact CB-CE1 4.17Å; D26-Y147 PolarHBondContact OD2-OH 3.13Å; P39-Y147 CarbonylContact O-C 3.39Å; P39-Y147 WeakPolarHBondContact O-CA 3.41Å; P39-Y147 WeakPolarHBondContact O-CB 3.31Å; L42-Y147 HydrophobicContact CB-CD1 4.17Å; L42-Y147 HydrophobicContact CB-CD2 4.47Å; L42-Y147 HydrophobicContact CB-CE1 4.14Å; L42-Y147 HydrophobicContact CB-CE2 4.45Å; L42-Y147 HydrophobicContact CB-CG 4.34Å; L42-Y147 HydrophobicContact CD1-CD1 3.94Å; L42-Y147 HydrophobicContact CD1-CE1 4.05Å; L42-Y147 HydrophobicContact CG-CE1 4.47Å; Y147-P149 HydrophobicContact CD2-CB 4.39Å; Y147-P149 HydrophobicContact CD2-CG 4.26Å; Y147-P149 HydrophobicContact CE2-CB 4.31Å; Y147-P149 HydrophobicContact CE2-CG 4.03Å; Y147-P389 HydrophobicContact CE2-CG 4.19Å; Y147-P389 WeakPolarHBondContact OH-CG 3.37Å
148A83.7Confident77.8Confident17 Ų1752.2 Ų52.214%0.1428%0.282CS..  trans-127.988-179.200000109.7F31 L38 P39 Q40F31-A148 HydrophobicContact CE1-CB 3.82Å; F31-A148 HydrophobicContact CZ-CB 3.61Å; L38-A148 HydrophobicContact CB-CB 3.8Å; L38-A148 HydrophobicContact CD1-CB 4.33Å; P39-A148 PolarHBondContact O-N 3.2Å; Q40-A148 WeakPolarHBondContact CA-O 3.32Å
149P73.1Confident77.8Confident27 Ų2754.3 Ų54.318%0.17530%0.296CS..PPolyproline II helixtrans-68.3141.2-176.129.1-33.9000111Q40 Y147 E151 P389 L390Q40-P149 WeakPolarHBondContact O-CA 3.47Å; Y147-P149 HydrophobicContact CD2-CB 4.39Å; Y147-P149 HydrophobicContact CD2-CG 4.26Å; Y147-P149 HydrophobicContact CE2-CB 4.31Å; Y147-P149 HydrophobicContact CE2-CG 4.03Å; P149-E151 PolarHBondContact O-N 3.42Å; P149-P389 HydrophobicContact CG-CG 4.17Å; P149-L390 HydrophobicContact CG-CD1 3.97Å
150N64.7Low78.1Confident107 Ų10755.5 Ų55.557%0.57229%0.294SS*.PPolyproline II helixtrans-62.7124.4179.2-61.1-49.7000110.8Q40Q40-N150 PolarHBondContact NE2-OD1 3.29Å; Q40-N150 PolarHBondContact OE1-ND2 3.11Å
151E59.6Low78.9Confident76 Ų7646.1 Ų46.136%0.35525%0.25SS..PPolyproline II helixtrans-66130.1169.2-77.6-158.9-148.800110.4P149 V153 R384 L390P149-E151 PolarHBondContact O-N 3.42Å; E151-V153 PolarHBondContact O-N 3.4Å; E151-R384 IonicContact OE2-CZ 2.65Å; E151-R384 IonicContact OE2-NH1 3.77Å; E151-R384 PolarHBondContact OE2-NH1 3.46Å; E151-R384 IonicContact OE2-NH2 2.64Å; E151-R384 PolarHBondContact OE2-NH2 3.14Å; E151-L390 HydrophobicContact CG-CD2 3.98Å
152P60.5Low79.7Confident61 Ų6147 Ų4740%0.39624%0.244SC..PPolyproline II helixtrans-68.4129.1168.829.3-33.5000109.6L154 D155P152-L154 PolarHBondContact O-N 3.46Å; P152-D155 WeakPolarHBondContact CG-OD1 3.37Å
153V58.7Low80Confident119 Ų11951.4 Ų51.472%0.72127%0.269SS*.SBendtrans-63.8-7.8-175.6-62.90000115.2E151E151-V153 PolarHBondContact O-N 3.4Å
154L62.7Low80.2Confident108 Ų10851.7 Ų51.757%0.56527%0.269SS*.SBendtrans-148.3101.7176.6-170.4107.9000110.9P152 V159P152-L154 PolarHBondContact O-N 3.46Å; L154-V159 HydrophobicContact CD2-CG2 4.35Å
155D70.6Confident80.4Confident7 Ų751.7 Ų51.74%0.03727%0.269CS..  trans-87.9154.6172.3-93.6-22.4000112.6P152 N157 M158 R384 N386P152-D155 WeakPolarHBondContact CG-OD1 3.37Å; D155-N157 WeakPolarHBondContact CB-OD1 3.23Å; D155-N157 PolarHBondContact O-N 2.9Å; D155-N157 VanDerWaalsContact O-N 3.15Å; D155-M158 WeakPolarHBondContact O-CB 3.42Å; D155-M158 PolarHBondContact O-N 3.2Å; D155-R384 WeakPolarHBondContact OD2-CD 3.32Å; D155-R384 IonicContact OD2-CZ 3.95Å; D155-R384 IonicContact OD2-NE 3.79Å; D155-R384 IonicContact OD2-NH1 2.75Å; D155-R384 PolarHBondContact OD2-NH1 3.43Å; D155-N386 PolarHBondContact OD1-ND2 2.92Å
156Y79.4Confident80.6Confident157 Ų15753.1 Ų53.162%0.61628%0.278SS*.Hα-helixtrans-58.2-27.3175.4-67.1-72.8000113.9M158 V159 I160 N386Y156-M158 VanDerWaalsContact C-N 3.3Å; Y156-M158 PolarHBondContact O-N 2.96Å; Y156-V159 WeakPolarHBondContact O-CB 3.38Å; Y156-V159 PolarHBondContact O-N 3.29Å; Y156-I160 WeakPolarHBondContact O-CG1 3.3Å; Y156-I160 PolarHBondContact O-N 3.39Å; Y156-N386 WeakPolarHBondContact CD2-OD1 3.34Å
157N79.1Confident81Confident1 Ų154.1 Ų54.11%0.00529%0.291CS..Hα-helixtrans-68.2-29.4177.472.2-19.6000112.7D155 V159 I160 I161 V382 P383 R384 S398D155-N157 WeakPolarHBondContact CB-OD1 3.23Å; D155-N157 PolarHBondContact O-N 2.9Å; D155-N157 VanDerWaalsContact O-N 3.15Å; N157-V159 VanDerWaalsContact C-N 3.33Å; N157-I160 PolarHBondContact O-N 2.91Å; N157-I161 WeakPolarHBondContact O-CB 3.36Å; N157-I161 WeakPolarHBondContact O-CG2 3.26Å; N157-I161 PolarHBondContact O-N 3.22Å; N157-V382 HydrophobicContact CB-CB 4.26Å; N157-V382 HydrophobicContact CB-CG1 3.72Å; N157-V382 PolarHBondContact ND2-O 3.32Å; N157-P383 VanDerWaalsContact CB-O 3.27Å; N157-P383 WeakPolarHBondContact CB-O 3.06Å; N157-R384 WeakPolarHBondContact ND2-CD 3.19Å; N157-R384 WeakPolarHBondContact ND2-CG 3.42Å; N157-S398 VanDerWaalsContact ND2-CB 3.34Å; N157-S398 WeakPolarHBondContact ND2-CB 3.41Å; N157-S398 PolarHBondContact ND2-N 2.85Å
158M81.6Confident81.4Confident42 Ų4253.6 Ų53.621%0.20729%0.29CS..Hα-helixtrans-66.4-37.1171.8-61-63.1168.900111D155 Y156 I161 F162 S398 F444D155-M158 WeakPolarHBondContact O-CB 3.42Å; D155-M158 PolarHBondContact O-N 3.2Å; Y156-M158 VanDerWaalsContact C-N 3.3Å; Y156-M158 PolarHBondContact O-N 2.96Å; M158-I161 WeakPolarHBondContact O-CG2 3.43Å; M158-F162 WeakPolarHBondContact O-CB 3.29Å; M158-F162 PolarHBondContact O-N 2.9Å; M158-S398 WeakPolarHBondContact CE-OG 3.26Å; M158-S398 PolarHBondContact SD-OG 3.49Å; M158-F444 HydrophobicContact SD-CD1 4.05Å; M158-F444 HydrophobicContact SD-CE1 4.31Å
159V86.9Confident82.1Confident63 Ų6352.8 Ų52.838%0.38228%0.283SS..Hα-helixtrans-68.4-40.9174.4-173.90000111.1L154 Y156 N157 F162 L163L154-V159 HydrophobicContact CD2-CG2 4.35Å; Y156-V159 WeakPolarHBondContact O-CB 3.38Å; Y156-V159 PolarHBondContact O-N 3.29Å; N157-V159 VanDerWaalsContact C-N 3.33Å; V159-F162 WeakPolarHBondContact O-CB 3.44Å; V159-L163 HydrophobicContact CG1-CD1 4.17Å; V159-L163 WeakPolarHBondContact O-CB 3.36Å; V159-L163 VanDerWaalsContact O-CG 3.27Å; V159-L163 WeakPolarHBondContact O-CG 3.45Å; V159-L163 PolarHBondContact O-N 2.99Å
160I89.9Confident83.2Confident60 Ų6052.7 Ų52.731%0.30829%0.285SS..Hα-helixtrans-65.8-49.6177.6-67.4165.3000111.1Y156 N157 F162 L163 M164 V382 L385Y156-I160 WeakPolarHBondContact O-CG1 3.3Å; Y156-I160 PolarHBondContact O-N 3.39Å; N157-I160 PolarHBondContact O-N 2.91Å; I160-F162 VanDerWaalsContact C-N 3.31Å; I160-F162 PolarHBondContact O-N 2.99Å; I160-L163 PolarHBondContact O-N 3.41Å; I160-M164 HydrophobicContact CG2-CE 4.4Å; I160-M164 WeakPolarHBondContact O-CG 3.24Å; I160-M164 PolarHBondContact O-N 3.13Å; I160-V382 HydrophobicContact CB-CG1 4.04Å; I160-V382 HydrophobicContact CG2-CG1 3.77Å; I160-V382 HydrophobicContact CG2-CG2 4.18Å; I160-L385 HydrophobicContact CD1-CD1 3.47Å; I160-L385 VanDerWaalsContact CD1-CD1 3.47Å
161I90.4Very high84.7Confident0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-66-34.8-179.7-155.1168.8000111.4N157 M158 M164 A165 L380 V382 L400 F444N157-I161 WeakPolarHBondContact O-CB 3.36Å; N157-I161 WeakPolarHBondContact O-CG2 3.26Å; N157-I161 PolarHBondContact O-N 3.22Å; M158-I161 WeakPolarHBondContact O-CG2 3.43Å; I161-M164 PolarHBondContact O-N 3.32Å; I161-A165 WeakPolarHBondContact O-CB 3.36Å; I161-A165 PolarHBondContact O-N 2.79Å; I161-L380 HydrophobicContact CD1-CB 4.02Å; I161-L380 HydrophobicContact CG1-CB 4.15Å; I161-L380 HydrophobicContact CG1-CD1 4.24Å; I161-V382 HydrophobicContact CB-CB 4.39Å; I161-V382 HydrophobicContact CB-CG2 3.69Å; I161-V382 HydrophobicContact CD1-CG2 4.07Å; I161-V382 HydrophobicContact CG1-CG2 3.85Å; I161-L400 HydrophobicContact CD1-CB 3.6Å; I161-L400 HydrophobicContact CG1-CB 4.05Å; I161-L400 HydrophobicContact CG1-CD2 4.47Å; I161-F444 HydrophobicContact CG2-CE1 4.31Å; I161-F444 HydrophobicContact CG2-CE2 4.33Å; I161-F444 HydrophobicContact CG2-CZ 3.73Å
162F93Very high86.4Confident53 Ų5347.7 Ų47.723%0.23226%0.263CS..Hα-helixtrans-57.5-52.5169.8177.1-91.3000111.9M158 V159 I160 M164 A165 V166 G437 L440 L441 F444M158-F162 WeakPolarHBondContact O-CB 3.29Å; M158-F162 PolarHBondContact O-N 2.9Å; V159-F162 WeakPolarHBondContact O-CB 3.44Å; I160-F162 VanDerWaalsContact C-N 3.31Å; I160-F162 PolarHBondContact O-N 2.99Å; F162-M164 PolarHBondContact O-N 3.13Å; F162-A165 PolarHBondContact O-N 3.3Å; F162-V166 HydrophobicContact CD1-CG2 4.39Å; F162-V166 HydrophobicContact CD2-CG2 4.37Å; F162-V166 HydrophobicContact CE1-CG2 4.13Å; F162-V166 HydrophobicContact CE2-CG2 4.12Å; F162-V166 HydrophobicContact CG-CG2 4.5Å; F162-V166 HydrophobicContact CZ-CG2 3.98Å; F162-V166 WeakPolarHBondContact O-CB 3.23Å; F162-V166 WeakPolarHBondContact O-CG2 3.45Å; F162-V166 PolarHBondContact O-N 3.4Å; F162-G437 WeakPolarHBondContact CE2-O 3.39Å; F162-L440 HydrophobicContact CD2-CB 4.39Å; F162-L440 HydrophobicContact CD2-CD2 3.83Å; F162-L440 HydrophobicContact CD2-CG 4.18Å; F162-L440 HydrophobicContact CE2-CB 4.4Å; F162-L440 HydrophobicContact CE2-CD2 4.43Å; F162-L440 HydrophobicContact CG-CD2 4.49Å; F162-L441 HydrophobicContact CE2-CB 4.24Å; F162-F444 HydrophobicContact CB-CE2 3.96Å; F162-F444 HydrophobicContact CD2-CD2 4.45Å; F162-F444 HydrophobicContact CD2-CE2 4.13Å
163L94.6Very high88.1Confident110 Ų11044.8 Ų44.858%0.57624%0.244SC*.Hα-helixtrans-63.6-40.5-179.4-71.7171.4000111.9V159 I160 G167V159-L163 HydrophobicContact CG1-CD1 4.17Å; V159-L163 WeakPolarHBondContact O-CB 3.36Å; V159-L163 VanDerWaalsContact O-CG 3.27Å; V159-L163 WeakPolarHBondContact O-CG 3.45Å; V159-L163 PolarHBondContact O-N 2.99Å; I160-L163 PolarHBondContact O-N 3.41Å; L163-G167 WeakPolarHBondContact O-CA 3.48Å; L163-G167 PolarHBondContact O-N 2.93Å
164M94.9Very high89.8Confident49 Ų4943.8 Ų43.824%0.24123%0.228CC..Hα-helixtrans-65-42.5175.1-68.1-160.5-54.800112.2I160 I161 F162 T168 D309 I313 L380 V382I160-M164 HydrophobicContact CG2-CE 4.4Å; I160-M164 WeakPolarHBondContact O-CG 3.24Å; I160-M164 PolarHBondContact O-N 3.13Å; I161-M164 PolarHBondContact O-N 3.32Å; F162-M164 PolarHBondContact O-N 3.13Å; M164-T168 VanDerWaalsContact O-CB 3.25Å; M164-T168 WeakPolarHBondContact O-CB 3.32Å; M164-T168 PolarHBondContact O-N 2.94Å; M164-T168 PolarHBondContact O-OG1 3.42Å; M164-D309 WeakPolarHBondContact CE-OD2 3.44Å; M164-I313 HydrophobicContact SD-CD1 4.22Å; M164-L380 HydrophobicContact CB-CD1 4.44Å; M164-L380 HydrophobicContact CE-CD1 4.45Å; M164-V382 HydrophobicContact CE-CG2 3.37Å
165A95.7Very high91.2Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-68-50-179.900000112.2I161 F162 G167 T168 V169 L400 I405 L440I161-A165 WeakPolarHBondContact O-CB 3.36Å; I161-A165 PolarHBondContact O-N 2.79Å; F162-A165 PolarHBondContact O-N 3.3Å; A165-G167 VanDerWaalsContact C-N 3.35Å; A165-G167 PolarHBondContact O-N 3.25Å; A165-T168 PolarHBondContact O-N 2.92Å; A165-V169 WeakPolarHBondContact O-CG2 3.47Å; A165-V169 PolarHBondContact O-N 3.15Å; A165-L400 HydrophobicContact CB-CD2 3.51Å; A165-I405 HydrophobicContact CB-CD1 4.27Å; A165-I405 HydrophobicContact CB-CG1 4.21Å; A165-L440 HydrophobicContact CB-CD2 3.78Å
166V97Very high92.2Very high30 Ų3042.3 Ų42.318%0.18222%0.218CC..Hα-helixtrans-63.5-41.5177.2176.50000110.7F162 V169 A170 T433 Y436 L440F162-V166 HydrophobicContact CD1-CG2 4.39Å; F162-V166 HydrophobicContact CD2-CG2 4.37Å; F162-V166 HydrophobicContact CE1-CG2 4.13Å; F162-V166 HydrophobicContact CE2-CG2 4.12Å; F162-V166 HydrophobicContact CG-CG2 4.5Å; F162-V166 HydrophobicContact CZ-CG2 3.98Å; F162-V166 WeakPolarHBondContact O-CB 3.23Å; F162-V166 WeakPolarHBondContact O-CG2 3.45Å; F162-V166 PolarHBondContact O-N 3.4Å; V166-V169 PolarHBondContact O-N 2.85Å; V166-A170 VanDerWaalsContact O-CB 3.26Å; V166-A170 WeakPolarHBondContact O-CB 3.07Å; V166-A170 PolarHBondContact O-N 3.47Å; V166-T433 HydrophobicContact CG1-CG2 4.48Å; V166-Y436 HydrophobicContact CB-CE1 4.48Å; V166-Y436 HydrophobicContact CG2-CD1 4.04Å; V166-Y436 HydrophobicContact CG2-CE1 3.91Å; V166-L440 HydrophobicContact CG2-CD2 4.24Å
167G96.9Very high92.6Very high32 Ų3234.9 Ų34.933%0.3319%0.189SC..Hα-helixtrans-60.6-44.6173.800000112.9L163 A165 A170 V171L163-G167 WeakPolarHBondContact O-CA 3.48Å; L163-G167 PolarHBondContact O-N 2.93Å; A165-G167 VanDerWaalsContact C-N 3.35Å; A165-G167 PolarHBondContact O-N 3.25Å; G167-A170 PolarHBondContact O-N 3.43Å; G167-V171 WeakPolarHBondContact O-CB 3.26Å; G167-V171 VanDerWaalsContact O-CG2 3.27Å; G167-V171 WeakPolarHBondContact O-CG2 3.06Å; G167-V171 PolarHBondContact O-N 3.24Å
168T96.9Very high93Very high7 Ų737.1 Ų37.14%0.04321%0.205CC..Hα-helixtrans-63.5-45.3178.4-61.40000111.8M164 A165 G172 I313 C316 L317 I405M164-T168 VanDerWaalsContact O-CB 3.25Å; M164-T168 WeakPolarHBondContact O-CB 3.32Å; M164-T168 PolarHBondContact O-N 2.94Å; M164-T168 PolarHBondContact O-OG1 3.42Å; A165-T168 PolarHBondContact O-N 2.92Å; T168-G172 PolarHBondContact O-N 3.21Å; T168-I313 HydrophobicContact CG2-CG2 4.3Å; T168-C316 HydrophobicContact CG2-CB 3.68Å; T168-L317 HydrophobicContact CG2-CD2 4.27Å; T168-L317 HydrophobicContact CG2-CG 4.37Å; T168-L317 WeakPolarHBondContact O-CD2 3.35Å; T168-I405 HydrophobicContact CG2-CG2 3.88Å
169V97.3Very high93.1Very high0 Ų036.7 Ų36.70%020%0.201CC..Hα-helixtrans-61.5-50.4175169.40000111.1A165 V166 V171 G172 A173 I405 V412 Y436A165-V169 WeakPolarHBondContact O-CG2 3.47Å; A165-V169 PolarHBondContact O-N 3.15Å; V166-V169 PolarHBondContact O-N 2.85Å; V169-V171 PolarHBondContact O-N 2.92Å; V169-G172 PolarHBondContact O-N 3.17Å; V169-A173 VanDerWaalsContact O-CB 3.23Å; V169-A173 WeakPolarHBondContact O-CB 3.2Å; V169-A173 PolarHBondContact O-N 3.11Å; V169-I405 HydrophobicContact CG2-CG2 3.83Å; V169-I405 WeakPolarHBondContact CG2-O 3.5Å; V169-V412 HydrophobicContact CG1-CB 3.91Å; V169-V412 HydrophobicContact CG1-CG1 4.05Å; V169-V412 HydrophobicContact CG1-CG2 3.77Å; V169-Y436 HydrophobicContact CB-CD1 4.21Å; V169-Y436 HydrophobicContact CB-CE1 4.1Å; V169-Y436 HydrophobicContact CG1-CD1 4.26Å; V169-Y436 HydrophobicContact CG1-CG 4.41Å; V169-Y436 HydrophobicContact CG2-CD1 4.14Å; V169-Y436 HydrophobicContact CG2-CE1 3.66Å; V169-Y436 HydrophobicContact CG2-CE2 4.08Å
170A97.1Very high92.7Very high25 Ų2534.4 Ų34.421%0.20719%0.187CC..Hα-helixtrans-61.5-47.3-177.800000112.1V166 G167 Y174 F429 T433V166-A170 VanDerWaalsContact O-CB 3.26Å; V166-A170 WeakPolarHBondContact O-CB 3.07Å; V166-A170 PolarHBondContact O-N 3.47Å; G167-A170 PolarHBondContact O-N 3.43Å; A170-Y174 WeakPolarHBondContact O-CB 3.12Å; A170-Y174 PolarHBondContact O-N 2.98Å; A170-F429 HydrophobicContact CB-CZ 4.49Å; A170-T433 HydrophobicContact CB-CG2 4Å
171V96.6Very high92.3Very high78 Ų7839 Ų3947%0.47320%0.2SC..Hα-helixtrans-68.6-41.5179.4174.40000111.3G167 V169 Y174 W175 L317G167-V171 WeakPolarHBondContact O-CB 3.26Å; G167-V171 VanDerWaalsContact O-CG2 3.27Å; G167-V171 WeakPolarHBondContact O-CG2 3.06Å; G167-V171 PolarHBondContact O-N 3.24Å; V169-V171 PolarHBondContact O-N 2.92Å; V171-Y174 PolarHBondContact O-N 3.35Å; V171-W175 WeakPolarHBondContact O-CB 3.27Å; V171-W175 PolarHBondContact O-N 3.46Å; V171-L317 HydrophobicContact CB-CD2 4Å; V171-L317 HydrophobicContact CG1-CD2 3.86Å
172G95.5Very high91.9Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-63.7-50.9178.800000112.4T168 V169 Y174 W175 A176 L317T168-G172 PolarHBondContact O-N 3.21Å; V169-G172 PolarHBondContact O-N 3.17Å; G172-Y174 PolarHBondContact O-N 2.69Å; G172-W175 PolarHBondContact O-N 2.91Å; G172-A176 WeakPolarHBondContact O-CB 3.38Å; G172-A176 PolarHBondContact O-N 3.36Å; G172-L317 VanDerWaalsContact N-CD2 3.32Å
173A94.9Very high91.1Very high0 Ų046.7 Ų46.70%023%0.233CC..Hα-helixtrans-63.7-38.2175.700000112.7V169 A176 G177 V412 A413 H416 F429V169-A173 VanDerWaalsContact O-CB 3.23Å; V169-A173 WeakPolarHBondContact O-CB 3.2Å; V169-A173 PolarHBondContact O-N 3.11Å; A173-A176 PolarHBondContact O-N 3.26Å; A173-G177 PolarHBondContact O-N 2.78Å; A173-G177 VanDerWaalsContact O-N 3.13Å; A173-V412 HydrophobicContact CB-CB 4.06Å; A173-V412 HydrophobicContact CB-CG1 3.66Å; A173-A413 HydrophobicContact CB-CB 3.95Å; A173-H416 PolarHBondContact O-ND1 2.8Å; A173-F429 HydrophobicContact CB-CD2 4.35Å; A173-F429 HydrophobicContact CB-CE2 3.89Å
174Y94.5Very high90Very high97 Ų9745.7 Ų45.738%0.3822%0.222SC..Hα-helixtrans-61.5-46.5173.5-175.1-109.2000111.5A170 V171 G172 S178 H416A170-Y174 WeakPolarHBondContact O-CB 3.12Å; A170-Y174 PolarHBondContact O-N 2.98Å; V171-Y174 PolarHBondContact O-N 3.35Å; G172-Y174 PolarHBondContact O-N 2.69Å; Y174-S178 WeakPolarHBondContact O-CB 3.27Å; Y174-S178 PolarHBondContact O-N 2.91Å; Y174-H416 WeakPolarHBondContact CA-ND1 3.4Å; Y174-H416 AromaticContact CD2-CE1 3.3Å; Y174-H416 WeakPolarHBondContact CD2-CE1 3.46Å; Y174-H416 AromaticContact CD2-NE2 3.57Å; Y174-H416 AromaticContact CE2-CE1 3.81Å; Y174-H416 AromaticContact CE2-NE2 3.85Å; Y174-H416 PolarHBondContact O-CE1 3.45Å; Y174-H416 VanDerWaalsContact O-CE1 3.24Å; Y174-H416 PolarHBondContact O-ND1 3.36Å
175W92.6Very high89Confident68 Ų6850.8 Ų50.826%0.25824%0.239SC..Hα-helixtrans-64.2-44178.5-159.8-10.2000111.8V171 G172 S178 R179 P252 K321V171-W175 WeakPolarHBondContact O-CB 3.27Å; V171-W175 PolarHBondContact O-N 3.46Å; G172-W175 PolarHBondContact O-N 2.91Å; W175-S178 PolarHBondContact O-N 3.17Å; W175-R179 WeakPolarHBondContact O-CB 3.28Å; W175-R179 PolarHBondContact O-N 3.27Å; W175-P252 HydrophobicContact CH2-CG 4.14Å; W175-P252 HydrophobicContact CZ2-CG 3.87Å; W175-K321 HydrophobicContact CD2-CD 4.19Å
176A90.8Very high87.8Confident17 Ų1755 Ų5514%0.1426%0.26CS..Hα-helixtrans-56.1-54.7177.700000112.1G172 A173 S178 R179 D180 L320 A413G172-A176 WeakPolarHBondContact O-CB 3.38Å; G172-A176 PolarHBondContact O-N 3.36Å; A173-A176 PolarHBondContact O-N 3.26Å; A176-S178 PolarHBondContact O-N 2.99Å; A176-R179 WeakPolarHBondContact O-CB 3.4Å; A176-R179 PolarHBondContact O-N 3.3Å; A176-D180 PolarHBondContact O-N 3.22Å; A176-D180 VanDerWaalsContact O-N 3.16Å; A176-L320 VanDerWaalsContact CB-O 3.29Å; A176-L320 WeakPolarHBondContact CB-O 3.29Å; A176-A413 HydrophobicContact CB-CB 4.09Å
177G87.6Confident86.5Confident0 Ų060.7 Ų60.70%028%0.283CS..Hα-helixtrans-64.3-38.4177.200000113.1A173 R179 D180 R181 I420A173-G177 PolarHBondContact O-N 2.78Å; A173-G177 VanDerWaalsContact O-N 3.13Å; G177-R179 VanDerWaalsContact C-N 3.34Å; G177-R179 PolarHBondContact O-N 2.87Å; G177-D180 PolarHBondContact O-N 2.96Å; G177-R181 PolarHBondContact O-N 3.15Å; G177-I420 VanDerWaalsContact C-CD1 3.45Å; G177-I420 WeakPolarHBondContact O-CD1 3.21Å
178S87.7Confident85Confident49 Ų4966.7 Ų66.734%0.34330%0.302SS..Hα-helixtrans-66.4-33.7176.9-173.20000112.8Y174 W175 A176 K182Y174-S178 WeakPolarHBondContact O-CB 3.27Å; Y174-S178 PolarHBondContact O-N 2.91Å; W175-S178 PolarHBondContact O-N 3.17Å; A176-S178 PolarHBondContact O-N 2.99Å; S178-K182 PolarHBondContact O-N 3.24Å
179R83.3Confident83.5Confident32 Ų3273.4 Ų73.412%0.12133%0.33CS..Hα-helixtrans-64.3-45.1172.7180-179.4176.7-134.3-5.9110.4W175 A176 G177 K182 K183 E199 K321W175-R179 WeakPolarHBondContact O-CB 3.28Å; W175-R179 PolarHBondContact O-N 3.27Å; A176-R179 WeakPolarHBondContact O-CB 3.4Å; A176-R179 PolarHBondContact O-N 3.3Å; G177-R179 VanDerWaalsContact C-N 3.34Å; G177-R179 PolarHBondContact O-N 2.87Å; R179-K182 PolarHBondContact O-N 2.96Å; R179-K183 PolarHBondContact O-N 3.44Å; R179-E199 IonicContact CZ-OE2 3.73Å; R179-E199 VanDerWaalsContact CZ-OE2 3.23Å; R179-E199 IonicContact NE-OE2 2.84Å; R179-E199 PolarHBondContact NE-OE2 3.11Å; R179-E199 PolarHBondContact NH2-O 2.74Å; R179-E199 IonicContact NH2-OE2 3.6Å; R179-E199 PolarHBondContact NH2-OE2 3.12Å; R179-K321 PolarHBondContact NH1-O 2.86Å
180D80Confident81.7Confident16 Ų1678 Ų789%0.08635%0.348CS..Hα-helixtrans-68.1-34.8176.7-98.318.2000112.9A176 G177 K182 K183 R184 R324 R417A176-D180 PolarHBondContact O-N 3.22Å; A176-D180 VanDerWaalsContact O-N 3.16Å; G177-D180 PolarHBondContact O-N 2.96Å; D180-K182 VanDerWaalsContact C-N 3.34Å; D180-K183 PolarHBondContact O-N 3.43Å; D180-R184 PolarHBondContact O-N 3.49Å; D180-R324 IonicContact OD1-NH1 2.72Å; D180-R324 IonicContact OD2-CZ 3.55Å; D180-R324 IonicContact OD2-NH1 3.32Å; D180-R324 PolarHBondContact OD2-NH1 3.08Å; D180-R417 WeakPolarHBondContact OD2-CD 3.21Å; D180-R417 IonicContact OD2-CZ 3.19Å; D180-R417 IonicContact OD2-NE 3.83Å; D180-R417 PolarHBondContact OD2-NE 3.46Å
181R81.7Confident79.7Confident156 Ų15683.1 Ų83.159%0.58937%0.372SS*.Hα-helixtrans-57.8-47.7168.8-166.5-179.7178.3-160.50.3110.8G177 R184 Y185 I420G177-R181 PolarHBondContact O-N 3.15Å; R181-R184 PolarHBondContact O-N 3.13Å; R181-Y185 PolarHBondContact O-N 3.44Å; R181-I420 HydrophobicContact CB-CD1 4.46Å; R181-I420 HydrophobicContact CB-CG2 3.77Å; R181-I420 HydrophobicContact CG-CG2 3.79Å
182K80.8Confident77.7Confident146 Ų14687.3 Ų87.364%0.63539%0.391SS*.Hα-helixtrans-68.8-40.3-179.7-170.5170.8-177.3172.80112.2S178 R179 D180 R184 Y185 M186S178-K182 PolarHBondContact O-N 3.24Å; R179-K182 PolarHBondContact O-N 2.96Å; D180-K182 VanDerWaalsContact C-N 3.34Å; K182-R184 VanDerWaalsContact C-N 3.34Å; K182-R184 PolarHBondContact O-N 3.43Å; K182-Y185 PolarHBondContact O-N 2.9Å; K182-M186 HydrophobicContact CG-CG 4.2Å; K182-M186 WeakPolarHBondContact O-CB 3.48Å; K182-M186 VanDerWaalsContact O-CG 3.26Å; K182-M186 WeakPolarHBondContact O-CG 3.31Å; K182-M186 PolarHBondContact O-N 3.3Å
183K76.2Confident75.2Confident69 Ų6989 Ų8930%0.341%0.409SS..Hα-helixtrans-57.5-45.3172.5-80.7-170.7170.7-1700110.8R179 D180 K187 E199R179-K183 PolarHBondContact O-N 3.44Å; D180-K183 PolarHBondContact O-N 3.43Å; K183-K187 PolarHBondContact O-N 2.95Å; K183-E199 PolarHBondContact NZ-O 3.06Å
184R72.1Confident72.9Confident89 Ų8994 Ų9434%0.33645%0.45SS..Hα-helixtrans-65.7-47176.4-78.1-164.7-77.3148.4-8.4113.6D180 R181 K182 M186 K187 H188 I420D180-R184 PolarHBondContact O-N 3.49Å; R181-R184 PolarHBondContact O-N 3.13Å; K182-R184 VanDerWaalsContact C-N 3.34Å; K182-R184 PolarHBondContact O-N 3.43Å; R184-M186 VanDerWaalsContact C-N 3.35Å; R184-M186 PolarHBondContact O-N 2.85Å; R184-K187 PolarHBondContact O-N 3.46Å; R184-K187 VanDerWaalsContact O-N 3.14Å; R184-H188 PolarHBondContact O-CD2 3.06Å; R184-H188 VanDerWaalsContact O-CD2 3.31Å; R184-H188 PolarHBondContact O-N 3.3Å; R184-I420 PolarHBondContact NH2-O 2.83Å
185Y73.4Confident70.2Confident155 Ų15595.3 Ų95.361%0.60846%0.459SS*.Hα-helixtrans-60.3-43.8176.8-179.9-99.9000112.1R181 K182 K187 H188 K189R181-Y185 PolarHBondContact O-N 3.44Å; K182-Y185 PolarHBondContact O-N 2.9Å; Y185-K187 VanDerWaalsContact C-N 3.32Å; Y185-K187 PolarHBondContact O-N 3.27Å; Y185-H188 PolarHBondContact O-N 3.16Å; Y185-K189 PolarHBondContact O-N 3.46Å; Y185-K189 VanDerWaalsContact O-N 3.07Å
186M71.4Confident67.5Low89 Ų89100.6 Ų100.644%0.43848%0.484SS..Hα-helixtrans-66.1-32.1175.3-69.6-60.5-55.200112.5K182 R184 K189 R190K182-M186 HydrophobicContact CG-CG 4.2Å; K182-M186 WeakPolarHBondContact O-CB 3.48Å; K182-M186 VanDerWaalsContact O-CG 3.26Å; K182-M186 WeakPolarHBondContact O-CG 3.31Å; K182-M186 PolarHBondContact O-N 3.3Å; R184-M186 VanDerWaalsContact C-N 3.35Å; R184-M186 PolarHBondContact O-N 2.85Å; M186-K189 PolarHBondContact O-N 3.22Å; M186-R190 WeakPolarHBondContact O-CB 3.35Å; M186-R190 PolarHBondContact O-N 3.47Å; M186-R190 VanDerWaalsContact O-N 3.13Å
187K68.4Low64.9Low150 Ų150107.2 Ų107.265%0.65251%0.512SS*.Hα-helixtrans-63.9-51.4173.1-172.7-178.9176-1730111K183 R184 Y185 K189 R190 D191K183-K187 PolarHBondContact O-N 2.95Å; R184-K187 PolarHBondContact O-N 3.46Å; R184-K187 VanDerWaalsContact O-N 3.14Å; Y185-K187 VanDerWaalsContact C-N 3.32Å; Y185-K187 PolarHBondContact O-N 3.27Å; K187-K189 PolarHBondContact O-N 3.39Å; K187-R190 PolarHBondContact O-N 3Å; K187-D191 PolarHBondContact O-N 2.88Å
188H66.8Low62.6Low158 Ų158112.8 Ų112.873%0.73154%0.542SS*.Hα-helixtrans-60.3-27.5177.1-75.5-71.8000113.5R184 Y185R184-H188 PolarHBondContact O-CD2 3.06Å; R184-H188 VanDerWaalsContact O-CD2 3.31Å; R184-H188 PolarHBondContact O-N 3.3Å; Y185-H188 PolarHBondContact O-N 3.16Å
189K64Low60.7Low147 Ų147115.8 Ų115.864%0.63955%0.551SS**THydrogen-bonded Turntrans-88.2-0.1174.3-175.2159.2-177.31700114.1Y185 M186 K187Y185-K189 PolarHBondContact O-N 3.46Å; Y185-K189 VanDerWaalsContact O-N 3.07Å; M186-K189 PolarHBondContact O-N 3.22Å; K187-K189 PolarHBondContact O-N 3.39Å
190R60.5Low59.3Low98 Ų98122.6 Ų122.637%0.3758%0.584SS.*  trans-127.412.2-171.3-160.4167.8-164.1179.118.3114.7M186 K187 D192 G193 E195M186-R190 WeakPolarHBondContact O-CB 3.35Å; M186-R190 PolarHBondContact O-N 3.47Å; M186-R190 VanDerWaalsContact O-N 3.13Å; K187-R190 PolarHBondContact O-N 3Å; R190-D192 PolarHBondContact O-N 3.4Å; R190-G193 WeakPolarHBondContact CD-O 3.22Å; R190-G193 WeakPolarHBondContact CG-O 3.09Å; R190-G193 PolarHBondContact NE-O 3.07Å; R190-G193 PolarHBondContact O-N 3.46Å; R190-G193 VanDerWaalsContact O-N 3.13Å; R190-E195 VanDerWaalsContact CZ-CB 3.46Å; R190-E195 IonicContact CZ-OE2 3.53Å; R190-E195 PolarHBondContact NH1-O 2.98Å; R190-E195 IonicContact NH1-OE2 2.79Å; R190-E195 IonicContact NH2-OE2 3.78Å; R190-E195 PolarHBondContact NH2-OE2 3.44Å
191D54.4Low58.5Low132 Ų132123.5 Ų123.571%0.70659%0.59SS**THydrogen-bonded Turntrans-62-25165.7-79.3-20.5000111.4K187 G193K187-D191 PolarHBondContact O-N 2.88Å; D191-G193 VanDerWaalsContact C-N 3.33Å; D191-G193 PolarHBondContact O-N 2.88Å
192D55Low58Low166 Ų166119.7 Ų119.789%0.88858%0.584SS**THydrogen-bonded Turntrans-78.80.5172.7-57.4-52000115.3R190R190-D192 PolarHBondContact O-N 3.4Å
193G43.9Very low57.9Low35 Ų35115.7 Ų115.736%0.36157%0.569SS.*SBendtrans-165.667.2-166.100000116.2R190 D191 E195R190-G193 WeakPolarHBondContact CD-O 3.22Å; R190-G193 WeakPolarHBondContact CG-O 3.09Å; R190-G193 PolarHBondContact NE-O 3.07Å; R190-G193 PolarHBondContact O-N 3.46Å; R190-G193 VanDerWaalsContact O-N 3.13Å; D191-G193 VanDerWaalsContact C-N 3.33Å; D191-G193 PolarHBondContact O-N 2.88Å; G193-E195 PolarHBondContact O-N 3.09Å
194A46.1Very low58Low105 Ų105112.8 Ų112.887%0.86856%0.557SS**  trans-57113-175.400000114.4
195E37.1Very low58.6Low124 Ų124111.9 Ų111.958%0.57956%0.562SS**  trans-153.7111.3163-150.8-167-160.700108.2R190 G193 Q197R190-E195 VanDerWaalsContact CZ-CB 3.46Å; R190-E195 IonicContact CZ-OE2 3.53Å; R190-E195 PolarHBondContact NH1-O 2.98Å; R190-E195 IonicContact NH1-OE2 2.79Å; R190-E195 IonicContact NH2-OE2 3.78Å; R190-E195 PolarHBondContact NH2-OE2 3.44Å; G193-E195 PolarHBondContact O-N 3.09Å; E195-Q197 PolarHBondContact O-N 3.24Å
196K36.4Very low59Low179 Ų179108.1 Ų108.178%0.77856%0.557SS**  trans-85108.3-178.5-71.3178.2171.4-170.30110.4D198K196-D198 WeakPolarHBondContact CD-OD2 3.25Å
197Q36.4Very low59.7Low156 Ų156110.1 Ų110.173%0.72957%0.568SS**  trans-96.380.3151.5-72.6-171.85.900107.8E195 E199E195-Q197 PolarHBondContact O-N 3.24Å; Q197-E199 PolarHBondContact O-N 3.01Å
198D38.7Very low60.5Low118 Ų118106.4 Ų106.463%0.63155%0.554SS**  trans-70.185.7171.1-71.6-38.5000108.7K196 E200K196-D198 WeakPolarHBondContact CD-OD2 3.25Å; D198-E200 VanDerWaalsContact C-N 3.33Å; D198-E200 PolarHBondContact O-N 2.85Å
199E49.1Very low61.5Low112 Ų11299 Ų9952%0.52352%0.519SS..  trans-62.2101.4157.3-64.4-177.8148.400107.2R179 K183 Q197 T201R179-E199 IonicContact CZ-OE2 3.73Å; R179-E199 VanDerWaalsContact CZ-OE2 3.23Å; R179-E199 IonicContact NE-OE2 2.84Å; R179-E199 PolarHBondContact NE-OE2 3.11Å; R179-E199 PolarHBondContact NH2-O 2.74Å; R179-E199 IonicContact NH2-OE2 3.6Å; R179-E199 PolarHBondContact NH2-OE2 3.12Å; K183-E199 PolarHBondContact NZ-O 3.06Å; Q197-E199 PolarHBondContact O-N 3.01Å; E199-T201 PolarHBondContact O-N 2.95Å
200E53.3Low62.5Low174 Ų17495.6 Ų95.681%0.81351%0.513SS*.  trans-48.4131.8-179.2-66.9177.7129.900111.2D198D198-E200 VanDerWaalsContact C-N 3.33Å; D198-E200 PolarHBondContact O-N 2.85Å
201T62.3Low63.9Low35 Ų3594.6 Ų94.622%0.21552%0.518CS..  trans-120.7117.9170.842.40000106.3E199 D203E199-T201 PolarHBondContact O-N 2.95Å; T201-D203 PolarHBondContact O-N 2.97Å
202V72.8Confident65.5Low76 Ų7693.1 Ų93.146%0.46151%0.505SS..EExtended strand (participates in β ladder)trans-77.193.9-178.4-173.70000107.6V204 M208 T322 R324V202-V204 PolarHBondContact O-N 2.83Å; V202-M208 HydrophobicContact CG1-CE 3.73Å; V202-M208 HydrophobicContact CG1-SD 3.96Å; V202-T322 PolarHBondContact N-O 2.88Å; V202-R324 PolarHBondContact O-N 3.42Å
203D78.1Confident67.1Low62 Ų6285.9 Ų85.933%0.33247%0.467SS..EExtended strand (participates in β ladder)trans-72.1109.6173.7-88.2-42.9000109.3T201 T205 R324T201-D203 PolarHBondContact O-N 2.97Å; D203-T205 PolarHBondContact O-N 2.89Å; D203-R324 WeakPolarHBondContact CA-O 3.44Å; D203-R324 IonicContact OD1-CZ 3.04Å; D203-R324 IonicContact OD1-NE 3.84Å; D203-R324 PolarHBondContact OD1-NE 2.94Å; D203-R324 IonicContact OD1-NH2 2.66Å; D203-R324 PolarHBondContact OD1-NH2 2.72Å; D203-R324 IonicContact OD2-CZ 3.47Å; D203-R324 IonicContact OD2-NE 2.75Å; D203-R324 IonicContact OD2-NH2 3.54Å; D203-R324 PolarHBondContact OD2-NH2 2.94Å
204V78.3Confident69.2Low8 Ų890.3 Ų90.35%0.04848%0.477CS..  trans-73.5123.3-170.7179.70000111.6V202 M208 I209 V323 R324 L325 P326V202-V204 PolarHBondContact O-N 2.83Å; V204-M208 HydrophobicContact CB-CE 4.48Å; V204-M208 HydrophobicContact CG1-CE 4.32Å; V204-M208 HydrophobicContact CG2-CE 3.9Å; V204-I209 HydrophobicContact CG1-CD1 4.03Å; V204-I209 HydrophobicContact CG1-CG1 3.54Å; V204-V323 HydrophobicContact CG2-CG1 3.69Å; V204-R324 PolarHBondContact N-O 3.09Å; V204-L325 HydrophobicContact CB-CD2 3.69Å; V204-L325 HydrophobicContact CG1-CD2 4.08Å; V204-L325 HydrophobicContact CG2-CD2 3.73Å; V204-P326 VanDerWaalsContact O-CD 3.27Å; V204-P326 WeakPolarHBondContact O-CD 3.42Å; V204-P326 WeakPolarHBondContact O-CG 3.48Å
205T84.3Confident71.3Confident70 Ų7091 Ų9143%0.42946%0.463SS..  trans-94.6157.4175.170.10000112.1D203 I207 M208 I209D203-T205 PolarHBondContact O-N 2.89Å; T205-I207 VanDerWaalsContact C-N 3.26Å; T205-I207 PolarHBondContact O-N 2.94Å; T205-M208 WeakPolarHBondContact O-CB 3.45Å; T205-M208 PolarHBondContact O-N 3.37Å; T205-M208 VanDerWaalsContact O-N 3.09Å; T205-M208 WeakPolarHBondContact OG1-CB 3.44Å; T205-M208 PolarHBondContact OG1-N 3.33Å; T205-I209 PolarHBondContact O-N 3.36Å
206P81.8Confident73.8Confident77 Ų7786.7 Ų86.750%0.545%0.447SS..Hα-helixtrans-57.4-35.2175.2-27.837000114.4I209 C210 L333P206-I209 PolarHBondContact O-N 3.1Å; P206-C210 PolarHBondContact O-N 3.45Å; P206-C210 PolarHBondContact O-SG 2.83Å; P206-L333 HydrophobicContact CB-CD2 3.83Å
207I85.8Confident76.2Confident131 Ų13179.9 Ų79.967%0.67242%0.421SS*.Hα-helixtrans-66.1-44.5175.4-60.3172.9000109.7T205 I209 C210 V211T205-I207 VanDerWaalsContact C-N 3.26Å; T205-I207 PolarHBondContact O-N 2.94Å; I207-I209 VanDerWaalsContact C-N 3.28Å; I207-I209 PolarHBondContact O-N 3.37Å; I207-C210 PolarHBondContact O-N 2.89Å; I207-C210 VanDerWaalsContact O-N 3.17Å; I207-V211 HydrophobicContact CG2-CG2 4.43Å; I207-V211 WeakPolarHBondContact O-CG2 3.27Å; I207-V211 PolarHBondContact O-N 3.44Å
208M86.4Confident78.7Confident72 Ų7275.6 Ų75.636%0.35540%0.403SS..Hα-helixtrans-62.6-33.2176.4-173.2-174.7139.300112.4V202 V204 T205 F212V202-M208 HydrophobicContact CG1-CE 3.73Å; V202-M208 HydrophobicContact CG1-SD 3.96Å; V204-M208 HydrophobicContact CB-CE 4.48Å; V204-M208 HydrophobicContact CG1-CE 4.32Å; V204-M208 HydrophobicContact CG2-CE 3.9Å; T205-M208 WeakPolarHBondContact O-CB 3.45Å; T205-M208 PolarHBondContact O-N 3.37Å; T205-M208 VanDerWaalsContact O-N 3.09Å; T205-M208 WeakPolarHBondContact OG1-CB 3.44Å; T205-M208 PolarHBondContact OG1-N 3.33Å; M208-F212 WeakPolarHBondContact O-CB 3.44Å; M208-F212 PolarHBondContact O-N 2.85Å
209I86.8Confident81.1Confident1 Ų173.4 Ų73.41%0.00539%0.39CS..Hα-helixtrans-62.2-48.7171.9-67.7166.8000110.7V204 T205 P206 I207 V211 F212 V213 A330 L333 L334V204-I209 HydrophobicContact CG1-CD1 4.03Å; V204-I209 HydrophobicContact CG1-CG1 3.54Å; T205-I209 PolarHBondContact O-N 3.36Å; P206-I209 PolarHBondContact O-N 3.1Å; I207-I209 VanDerWaalsContact C-N 3.28Å; I207-I209 PolarHBondContact O-N 3.37Å; I209-V211 PolarHBondContact O-N 2.83Å; I209-F212 PolarHBondContact O-N 2.84Å; I209-V213 WeakPolarHBondContact O-CG2 3.44Å; I209-V213 PolarHBondContact O-N 3.18Å; I209-A330 HydrophobicContact CD1-CB 4.16Å; I209-A330 WeakPolarHBondContact CD1-O 3.32Å; I209-L333 HydrophobicContact CD1-CB 4.38Å; I209-L333 HydrophobicContact CD1-CD2 4.21Å; I209-L333 HydrophobicContact CD1-CG 4.47Å; I209-L333 HydrophobicContact CG2-CD2 4.49Å; I209-L333 HydrophobicContact CG2-CG 4.3Å; I209-L334 HydrophobicContact CD1-CB 3.98Å; I209-L334 HydrophobicContact CG1-CB 4.27Å; I209-L334 HydrophobicContact CG1-CD1 4.32Å; I209-L334 HydrophobicContact CG2-CB 4.21Å; I209-L334 HydrophobicContact CG2-CD1 3.95Å
210C85.8Confident82.9Confident77 Ų7768.8 Ų68.852%0.5237%0.369SS..Hα-helixtrans-63.9-42.8-179.4-59.70000111.7P206 I207 F214P206-C210 PolarHBondContact O-N 3.45Å; P206-C210 PolarHBondContact O-SG 2.83Å; I207-C210 PolarHBondContact O-N 2.89Å; I207-C210 VanDerWaalsContact O-N 3.17Å; C210-F214 WeakPolarHBondContact O-CB 3.39Å; C210-F214 PolarHBondContact O-N 2.91Å
211V89.9Confident84.6Confident76 Ų7663 Ų6346%0.46135%0.346SS..Hα-helixtrans-65.1-42.4175.5173.90000111.4I207 I209 F214 M215I207-V211 HydrophobicContact CG2-CG2 4.43Å; I207-V211 WeakPolarHBondContact O-CG2 3.27Å; I207-V211 PolarHBondContact O-N 3.44Å; I209-V211 PolarHBondContact O-N 2.83Å; V211-F214 PolarHBondContact O-N 3.35Å; V211-M215 HydrophobicContact CG1-CG 4.37Å; V211-M215 WeakPolarHBondContact O-CB 3.41Å; V211-M215 VanDerWaalsContact O-CG 3.25Å; V211-M215 WeakPolarHBondContact O-CG 3.26Å; V211-M215 PolarHBondContact O-N 3.44Å
212F87.6Confident85.9Confident102 Ų10265.3 Ų65.345%0.44736%0.356SS..Hα-helixtrans-59.9-50.2176.9171.4-101.9000111.6M208 I209 F214 M215 C216 L334 L338M208-F212 WeakPolarHBondContact O-CB 3.44Å; M208-F212 PolarHBondContact O-N 2.85Å; I209-F212 PolarHBondContact O-N 2.84Å; F212-F214 PolarHBondContact O-N 3.47Å; F212-M215 PolarHBondContact O-N 3.47Å; F212-C216 PolarHBondContact O-N 3Å; F212-C216 PolarHBondContact O-SG 3.4Å; F212-C216 VanDerWaalsContact O-SG 3.39Å; F212-L334 HydrophobicContact CD1-CD1 4.28Å; F212-L334 HydrophobicContact CE1-CD1 4.46Å; F212-L338 HydrophobicContact CE1-CD1 4.48Å
213V87.9Confident86.5Confident14 Ų1461.9 Ų61.99%0.08534%0.335CS..Hα-helixtrans-63.1-42.9178.5173.90000111.1I209 M215 C216 C217 V337 L338I209-V213 WeakPolarHBondContact O-CG2 3.44Å; I209-V213 PolarHBondContact O-N 3.18Å; V213-M215 VanDerWaalsContact C-N 3.33Å; V213-M215 PolarHBondContact O-N 2.84Å; V213-C216 PolarHBondContact O-N 2.9Å; V213-C217 PolarHBondContact O-N 2.85Å; V213-C217 PolarHBondContact O-SG 2.97Å; V213-V337 HydrophobicContact CB-CG1 4.14Å; V213-V337 HydrophobicContact CG1-CG1 3.74Å; V213-V337 HydrophobicContact CG2-CG1 3.77Å; V213-L338 HydrophobicContact CG2-CD2 3.97Å; V213-L338 HydrophobicContact CG2-CG 4.31Å
214F89.5Confident86.8Confident127 Ų12761.8 Ų61.856%0.55733%0.331SS*.Hα-helixtrans-59-44.3175.4-179.3-99000111.6C210 V211 F212 C217 N218C210-F214 WeakPolarHBondContact O-CB 3.39Å; C210-F214 PolarHBondContact O-N 2.91Å; V211-F214 PolarHBondContact O-N 3.35Å; F212-F214 PolarHBondContact O-N 3.47Å; F214-C217 PolarHBondContact O-N 3.42Å; F214-N218 WeakPolarHBondContact CD1-ND2 3.12Å; F214-N218 VanDerWaalsContact CE1-ND2 3.27Å; F214-N218 WeakPolarHBondContact CE1-ND2 3.36Å; F214-N218 VanDerWaalsContact CE2-ND2 3.32Å; F214-N218 WeakPolarHBondContact CE2-ND2 3.21Å; F214-N218 WeakPolarHBondContact CZ-ND2 3.23Å; F214-N218 PolarHBondContact O-N 2.99Å; F214-N218 PolarHBondContact O-ND2 3.33Å
215M90.2Very high87.1Confident119 Ų11968 Ų6859%0.58636%0.357SS*.Hα-helixtrans-62.2-41.6175.1-71.4-67.4-178.100112V211 F212 V213 N218 M219V211-M215 HydrophobicContact CG1-CG 4.37Å; V211-M215 WeakPolarHBondContact O-CB 3.41Å; V211-M215 VanDerWaalsContact O-CG 3.25Å; V211-M215 WeakPolarHBondContact O-CG 3.26Å; V211-M215 PolarHBondContact O-N 3.44Å; F212-M215 PolarHBondContact O-N 3.47Å; V213-M215 VanDerWaalsContact C-N 3.33Å; V213-M215 PolarHBondContact O-N 2.84Å; M215-N218 PolarHBondContact O-N 3.26Å; M215-M219 WeakPolarHBondContact O-CB 3.08Å; M215-M219 PolarHBondContact O-N 2.9Å
216C88Confident87.2Confident35 Ų3570.2 Ų70.224%0.23636%0.361CS..Hα-helixtrans-61.9-44.5174.2-69.40000112.5F212 V213 M219 L220 Y341F212-C216 PolarHBondContact O-N 3Å; F212-C216 PolarHBondContact O-SG 3.4Å; F212-C216 VanDerWaalsContact O-SG 3.39Å; V213-C216 PolarHBondContact O-N 2.9Å; C216-M219 PolarHBondContact O-N 2.99Å; C216-L220 WeakPolarHBondContact O-CB 3.46Å; C216-L220 PolarHBondContact O-N 3.47Å; C216-Y341 HydrophobicContact CB-CE2 4.32Å
217C87.1Confident87.3Confident35 Ų3567 Ų6724%0.23634%0.339CS..Hα-helixtrans-60.2-48.8176.9-62.30000111.7V213 F214 V221 Y341 F345V213-C217 PolarHBondContact O-N 2.85Å; V213-C217 PolarHBondContact O-SG 2.97Å; F214-C217 PolarHBondContact O-N 3.42Å; C217-V221 WeakPolarHBondContact O-CG2 3.43Å; C217-V221 PolarHBondContact O-N 3.27Å; C217-V221 VanDerWaalsContact O-N 3.1Å; C217-Y341 VanDerWaalsContact SG-CD2 3.58Å; C217-F345 HydrophobicContact CB-CE2 4.42Å; C217-F345 HydrophobicContact CB-CZ 4.45Å
218N89.9Confident87.1Confident66 Ų6663.1 Ų63.135%0.35332%0.32SS..Hα-helixtrans-64.9-42.1178.6-77.7-96.9000111.1F214 M215 V221 L222F214-N218 WeakPolarHBondContact CD1-ND2 3.12Å; F214-N218 VanDerWaalsContact CE1-ND2 3.27Å; F214-N218 WeakPolarHBondContact CE1-ND2 3.36Å; F214-N218 VanDerWaalsContact CE2-ND2 3.32Å; F214-N218 WeakPolarHBondContact CE2-ND2 3.21Å; F214-N218 WeakPolarHBondContact CZ-ND2 3.23Å; F214-N218 PolarHBondContact O-N 2.99Å; F214-N218 PolarHBondContact O-ND2 3.33Å; M215-N218 PolarHBondContact O-N 3.26Å; N218-V221 PolarHBondContact O-N 3.3Å; N218-L222 VanDerWaalsContact O-CB 3.27Å; N218-L222 WeakPolarHBondContact O-CB 3.5Å; N218-L222 WeakPolarHBondContact O-CG 3.42Å; N218-L222 PolarHBondContact O-N 3.49Å
219M89.1Confident87Confident72 Ų7266.2 Ų66.236%0.35533%0.333SS..Hα-helixtrans-63.7-42.9179.7179.1-88.317400112.2M215 C216 L222 L223 V234M215-M219 WeakPolarHBondContact O-CB 3.08Å; M215-M219 PolarHBondContact O-N 2.9Å; C216-M219 PolarHBondContact O-N 2.99Å; M219-L222 PolarHBondContact O-N 3Å; M219-L223 HydrophobicContact CE-CD2 3.78Å; M219-L223 WeakPolarHBondContact O-CB 3.2Å; M219-L223 PolarHBondContact O-N 3.08Å; M219-L223 HydrophobicContact SD-CD2 4.48Å; M219-V234 HydrophobicContact CE-CG2 3.29Å
220L87.3Confident87Confident16 Ų1668.6 Ų68.68%0.08435%0.346CS..Hα-helixtrans-66.9-43.7177.2-170.5157.8000111.5C216 L223 Y224 Y341 F345 I359C216-L220 WeakPolarHBondContact O-CB 3.46Å; C216-L220 PolarHBondContact O-N 3.47Å; L220-L223 PolarHBondContact O-N 3.43Å; L220-Y224 PolarHBondContact O-N 3.49Å; L220-Y341 VanDerWaalsContact CD1-OH 3.23Å; L220-Y341 WeakPolarHBondContact CD1-OH 3.21Å; L220-F345 HydrophobicContact CD1-CD1 4.41Å; L220-F345 HydrophobicContact CD2-CD1 3.73Å; L220-F345 HydrophobicContact CD2-CE1 3.7Å; L220-I359 HydrophobicContact CD2-CB 4.32Å; L220-I359 HydrophobicContact CD2-CG2 3.51Å
221V87.6Confident87.1Confident53 Ų5365 Ų6532%0.32132%0.321SS..Hα-helixtrans-66.9-35.9176.9173.90000112C217 N218 Y224 F225 F345C217-V221 WeakPolarHBondContact O-CG2 3.43Å; C217-V221 PolarHBondContact O-N 3.27Å; C217-V221 VanDerWaalsContact O-N 3.1Å; N218-V221 PolarHBondContact O-N 3.3Å; V221-Y224 WeakPolarHBondContact O-CB 3.35Å; V221-Y224 PolarHBondContact O-N 2.63Å; V221-F225 HydrophobicContact CG1-CD2 4.15Å; V221-F225 HydrophobicContact CG1-CE2 3.9Å; V221-F225 WeakPolarHBondContact O-CD2 3.35Å; V221-F225 PolarHBondContact O-N 2.94Å; V221-F345 HydrophobicContact CG2-CE1 4.04Å; V221-F345 HydrophobicContact CG2-CZ 4.16Å
222L89.1Confident86.9Confident83 Ų8364.9 Ų64.944%0.43532%0.317SS..Hα-helixtrans-67.9-39.5172.3-74.2169.1000111.7N218 M219 Y224 F225 F226 L230N218-L222 VanDerWaalsContact O-CB 3.27Å; N218-L222 WeakPolarHBondContact O-CB 3.5Å; N218-L222 WeakPolarHBondContact O-CG 3.42Å; N218-L222 PolarHBondContact O-N 3.49Å; M219-L222 PolarHBondContact O-N 3Å; L222-Y224 VanDerWaalsContact C-N 3.26Å; L222-Y224 PolarHBondContact O-N 3.12Å; L222-F225 PolarHBondContact O-N 2.9Å; L222-F226 HydrophobicContact CD2-CD2 4.12Å; L222-F226 HydrophobicContact CD2-CE2 4.16Å; L222-F226 WeakPolarHBondContact O-CB 3.22Å; L222-F226 PolarHBondContact O-N 2.87Å; L222-L230 VanDerWaalsContact C-CD1 3.5Å; L222-L230 HydrophobicContact CB-CD1 3.75Å; L222-L230 WeakPolarHBondContact O-CD1 3.17Å
223L86Confident87Confident4 Ų468.5 Ų68.52%0.02133%0.328CS..Hα-helixtrans-66.2-27.9177.2-174.161.4000112.3M219 L220 Y227 L230 V363 L376M219-L223 HydrophobicContact CE-CD2 3.78Å; M219-L223 WeakPolarHBondContact O-CB 3.2Å; M219-L223 PolarHBondContact O-N 3.08Å; M219-L223 HydrophobicContact SD-CD2 4.48Å; L220-L223 PolarHBondContact O-N 3.43Å; L223-Y227 HydrophobicContact CD1-CD2 3.89Å; L223-Y227 HydrophobicContact CD1-CE2 4.3Å; L223-Y227 HydrophobicContact CD1-CG 4.5Å; L223-Y227 HydrophobicContact CG-CD2 4.02Å; L223-Y227 HydrophobicContact CG-CE2 4.36Å; L223-Y227 VanDerWaalsContact O-CA 3.24Å; L223-Y227 WeakPolarHBondContact O-CA 3.18Å; L223-Y227 WeakPolarHBondContact O-CB 3.47Å; L223-Y227 WeakPolarHBondContact O-CD2 3.27Å; L223-Y227 PolarHBondContact O-N 3.23Å; L223-L230 HydrophobicContact CD1-CB 3.6Å; L223-V363 HydrophobicContact CB-CG1 4.45Å; L223-V363 HydrophobicContact CD2-CG1 3.53Å; L223-V363 HydrophobicContact CG-CG1 3.81Å; L223-L376 HydrophobicContact CD2-CD1 3.74Å; L223-L376 HydrophobicContact CD2-CD2 4.14Å
224Y84.7Confident87.1Confident60 Ų6068.7 Ų68.724%0.23533%0.329CS..Hα-helixtrans-65.2-44.5168.8176.9-110.4000112.9L220 V221 L222 I359 E362 V363L220-Y224 PolarHBondContact O-N 3.49Å; V221-Y224 WeakPolarHBondContact O-CB 3.35Å; V221-Y224 PolarHBondContact O-N 2.63Å; L222-Y224 VanDerWaalsContact C-N 3.26Å; L222-Y224 PolarHBondContact O-N 3.12Å; Y224-I359 HydrophobicContact CD2-CG2 3.75Å; Y224-I359 HydrophobicContact CG-CG2 3.75Å; Y224-E362 HydrophobicContact CE2-CG 4.41Å; Y224-E362 WeakPolarHBondContact CE2-OE2 3.48Å; Y224-V363 HydrophobicContact CD2-CG2 4.36Å
225F84.3Confident87.2Confident137 Ų13762.7 Ų62.760%0.60130%0.303SS*.Hα-helixtrans-84.6-23.8-178.4-70.3-63.6000114.9V221 L222V221-F225 HydrophobicContact CG1-CD2 4.15Å; V221-F225 HydrophobicContact CG1-CE2 3.9Å; V221-F225 WeakPolarHBondContact O-CD2 3.35Å; V221-F225 PolarHBondContact O-N 2.94Å; L222-F225 PolarHBondContact O-N 2.9Å
226F86.4Confident87.3Confident118 Ų11858.5 Ų58.552%0.51829%0.287SS..SBendtrans-134.242.9-171.3-58.2-75.4000112.3L222 D228 H229 L230L222-F226 HydrophobicContact CD2-CD2 4.12Å; L222-F226 HydrophobicContact CD2-CE2 4.16Å; L222-F226 WeakPolarHBondContact O-CB 3.22Å; L222-F226 PolarHBondContact O-N 2.87Å; F226-D228 PolarHBondContact O-N 3.11Å; F226-H229 PolarHBondContact O-N 3.05Å; F226-L230 HydrophobicContact CB-CD1 3.92Å; F226-L230 HydrophobicContact CB-CG 4.31Å; F226-L230 PolarHBondContact O-N 2.93Å; F226-L230 VanDerWaalsContact O-N 3.13Å
227Y84.1Confident87.5Confident8 Ų862.1 Ų62.13%0.03130%0.303CS..Hα-helixtrans-52-59.5-170.1-167.4-94.2000113.8L223 H229 L230 A231 V363 P367 E374 L376L223-Y227 HydrophobicContact CD1-CD2 3.89Å; L223-Y227 HydrophobicContact CD1-CE2 4.3Å; L223-Y227 HydrophobicContact CD1-CG 4.5Å; L223-Y227 HydrophobicContact CG-CD2 4.02Å; L223-Y227 HydrophobicContact CG-CE2 4.36Å; L223-Y227 VanDerWaalsContact O-CA 3.24Å; L223-Y227 WeakPolarHBondContact O-CA 3.18Å; L223-Y227 WeakPolarHBondContact O-CB 3.47Å; L223-Y227 WeakPolarHBondContact O-CD2 3.27Å; L223-Y227 PolarHBondContact O-N 3.23Å; Y227-H229 PolarHBondContact O-N 3.06Å; Y227-L230 PolarHBondContact O-N 3.22Å; Y227-A231 HydrophobicContact CD1-CB 4.27Å; Y227-A231 HydrophobicContact CE1-CB 4.05Å; Y227-A231 WeakPolarHBondContact O-CB 3.45Å; Y227-A231 PolarHBondContact O-N 3.42Å; Y227-V363 HydrophobicContact CE2-CG1 4.48Å; Y227-V363 WeakPolarHBondContact CE2-O 3.23Å; Y227-P367 VanDerWaalsContact CD1-CD 3.42Å; Y227-P367 HydrophobicContact CD1-CG 4.15Å; Y227-P367 HydrophobicContact CD2-CG 4.13Å; Y227-P367 HydrophobicContact CG-CG 3.74Å; Y227-E374 WeakPolarHBondContact CE1-O 3.5Å; Y227-E374 PolarHBondContact OH-O 2.72Å; Y227-L376 HydrophobicContact CE2-CD1 4.21Å; Y227-L376 HydrophobicContact CE2-CG 4.28Å
228D81.8Confident87.9Confident51 Ų5161.1 Ų61.127%0.27330%0.295SS..Hα-helixtrans-54.3-32.9-173.7-6434.1000113.6F226 I232 S370 A371F226-D228 PolarHBondContact O-N 3.11Å; D228-I232 WeakPolarHBondContact O-CD1 3.43Å; D228-I232 WeakPolarHBondContact O-CG1 3.25Å; D228-S370 WeakPolarHBondContact OD1-CB 3.39Å; D228-S370 PolarHBondContact OD1-OG 3.49Å; D228-A371 PolarHBondContact OD2-N 3.16Å
229H84.7Confident88.1Confident136 Ų13658.6 Ų58.663%0.6328%0.282SS*.Hα-helixtrans-85.2-39.6178-65-29.9000112.5F226 Y227F226-H229 PolarHBondContact O-N 3.05Å; Y227-H229 PolarHBondContact O-N 3.06Å
230L87.1Confident88.4Confident52 Ų5260 Ų6027%0.27229%0.294SS..Hα-helixtrans-82.7-29.4-174.7-66.8173.5000112.9L222 L223 F226 Y227 I232 W233 V234L222-L230 VanDerWaalsContact C-CD1 3.5Å; L222-L230 HydrophobicContact CB-CD1 3.75Å; L222-L230 WeakPolarHBondContact O-CD1 3.17Å; L223-L230 HydrophobicContact CD1-CB 3.6Å; F226-L230 HydrophobicContact CB-CD1 3.92Å; F226-L230 HydrophobicContact CB-CG 4.31Å; F226-L230 PolarHBondContact O-N 2.93Å; F226-L230 VanDerWaalsContact O-N 3.13Å; Y227-L230 PolarHBondContact O-N 3.22Å; L230-I232 VanDerWaalsContact C-N 3.35Å; L230-I232 PolarHBondContact O-N 3.43Å; L230-W233 PolarHBondContact O-N 2.92Å; L230-V234 WeakPolarHBondContact O-CG2 3.5Å; L230-V234 PolarHBondContact O-N 2.92Å
231A86.4Confident88.7Confident0 Ų060.3 Ų60.30%030%0.299CS..Hα-helixtrans-57.5-46.5173.700000111.5Y227 W233 V234 I235 E374 L376Y227-A231 HydrophobicContact CD1-CB 4.27Å; Y227-A231 HydrophobicContact CE1-CB 4.05Å; Y227-A231 WeakPolarHBondContact O-CB 3.45Å; Y227-A231 PolarHBondContact O-N 3.42Å; A231-W233 VanDerWaalsContact C-N 3.32Å; A231-W233 PolarHBondContact O-N 3.5Å; A231-V234 PolarHBondContact O-N 3.48Å; A231-V234 VanDerWaalsContact O-N 3.14Å; A231-I235 VanDerWaalsContact O-CG1 3.3Å; A231-I235 WeakPolarHBondContact O-CG1 3.13Å; A231-I235 PolarHBondContact O-N 2.95Å; A231-E374 HydrophobicContact CB-CB 4.3Å; A231-L376 HydrophobicContact CB-CD2 4.15Å
232I86.9Confident89Confident75 Ų7557.8 Ų57.839%0.38528%0.284SS..Hα-helixtrans-58-43176.1-59.6173.8000111.2D228 L230 I235 A236 E374D228-I232 WeakPolarHBondContact O-CD1 3.43Å; D228-I232 WeakPolarHBondContact O-CG1 3.25Å; L230-I232 VanDerWaalsContact C-N 3.35Å; L230-I232 PolarHBondContact O-N 3.43Å; I232-I235 PolarHBondContact O-N 3.33Å; I232-A236 WeakPolarHBondContact O-CB 3.39Å; I232-A236 PolarHBondContact O-N 2.89Å; I232-E374 WeakPolarHBondContact CG1-OE2 3.23Å
233W89.6Confident89.4Confident178 Ų17854.9 Ų54.967%0.67427%0.27SS*.Hα-helixtrans-66.9-39.9176.3-74114.2000112.5L230 A231 A236 I237L230-W233 PolarHBondContact O-N 2.92Å; A231-W233 VanDerWaalsContact C-N 3.32Å; A231-W233 PolarHBondContact O-N 3.5Å; W233-A236 PolarHBondContact O-N 3.26Å; W233-I237 WeakPolarHBondContact O-CB 3.45Å; W233-I237 WeakPolarHBondContact O-CD1 3.49Å; W233-I237 VanDerWaalsContact O-CG1 3.24Å; W233-I237 WeakPolarHBondContact O-CG1 3.22Å; W233-I237 PolarHBondContact O-N 3.45Å
234V90.3Very high89.8Confident17 Ų1757.6 Ų57.610%0.10329%0.287CS..Hα-helixtrans-62.5-43174.4172.80000111.1M219 L230 A231 I237 F238 L376 M378M219-V234 HydrophobicContact CE-CG2 3.29Å; L230-V234 WeakPolarHBondContact O-CG2 3.5Å; L230-V234 PolarHBondContact O-N 2.92Å; A231-V234 PolarHBondContact O-N 3.48Å; A231-V234 VanDerWaalsContact O-N 3.14Å; V234-I237 PolarHBondContact O-N 2.94Å; V234-F238 WeakPolarHBondContact O-CB 3.44Å; V234-F238 PolarHBondContact O-N 2.84Å; V234-L376 HydrophobicContact CB-CD2 4.41Å; V234-L376 HydrophobicContact CG1-CD2 4.24Å; V234-M378 HydrophobicContact CG1-CE 4.34Å; V234-M378 HydrophobicContact CG1-CG 4.14Å; V234-M378 HydrophobicContact CG1-SD 3.89Å
235I90.9Very high90.2Very high1 Ų154.8 Ų54.81%0.00528%0.276CS..Hα-helixtrans-61.6-46.3175.5-69.4161.5000110.5A231 I232 F238 C239 W294 M295 E374 P377A231-I235 VanDerWaalsContact O-CG1 3.3Å; A231-I235 WeakPolarHBondContact O-CG1 3.13Å; A231-I235 PolarHBondContact O-N 2.95Å; I232-I235 PolarHBondContact O-N 3.33Å; I235-F238 PolarHBondContact O-N 3.28Å; I235-C239 PolarHBondContact O-N 3.4Å; I235-C239 PolarHBondContact O-SG 3.43Å; I235-W294 HydrophobicContact CG2-CH2 4.22Å; I235-W294 HydrophobicContact CG2-CZ3 4.06Å; I235-M295 HydrophobicContact CG2-CE 4.29Å; I235-M295 HydrophobicContact CG2-CG 4.16Å; I235-E374 HydrophobicContact CD1-CB 4.47Å; I235-E374 WeakPolarHBondContact CD1-OE2 3.46Å; I235-P377 HydrophobicContact CG1-CG 4Å
236A91.9Very high90.8Very high31 Ų3148.8 Ų48.826%0.25625%0.25SS..Hα-helixtrans-62.2-43.8177.400000112.6I232 W233 C239 V240I232-A236 WeakPolarHBondContact O-CB 3.39Å; I232-A236 PolarHBondContact O-N 2.89Å; W233-A236 PolarHBondContact O-N 3.26Å; A236-C239 PolarHBondContact O-N 2.9Å; A236-V240 WeakPolarHBondContact O-CG2 3.37Å; A236-V240 PolarHBondContact O-N 3.27Å; A236-V240 VanDerWaalsContact O-N 3.11Å
237I92.9Very high91.2Very high112 Ų11246.1 Ų46.157%0.57424%0.237SC*.Hα-helixtrans-62.7-43.3175.5-69.8165.3000110.6W233 V234 V240 A241W233-I237 WeakPolarHBondContact O-CB 3.45Å; W233-I237 WeakPolarHBondContact O-CD1 3.49Å; W233-I237 VanDerWaalsContact O-CG1 3.24Å; W233-I237 WeakPolarHBondContact O-CG1 3.22Å; W233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 2.94Å; I237-V240 PolarHBondContact O-N 3.09Å; I237-A241 WeakPolarHBondContact O-CB 3.37Å; I237-A241 PolarHBondContact O-N 3.05Å
238F94Very high91.5Very high14 Ų1446.7 Ų46.76%0.06124%0.243CC..Hα-helixtrans-61.9-44.3176.1176-107.5000112V234 I235 V240 A241 S242 W294 L311 F315 P377 F402V234-F238 WeakPolarHBondContact O-CB 3.44Å; V234-F238 PolarHBondContact O-N 2.84Å; I235-F238 PolarHBondContact O-N 3.28Å; F238-V240 VanDerWaalsContact C-N 3.33Å; F238-V240 PolarHBondContact O-N 3.27Å; F238-A241 PolarHBondContact O-N 2.87Å; F238-S242 VanDerWaalsContact O-CB 3.28Å; F238-S242 WeakPolarHBondContact O-CB 3.5Å; F238-S242 PolarHBondContact O-N 3.05Å; F238-S242 PolarHBondContact O-OG 3.46Å; F238-W294 HydrophobicContact CD1-CE3 4.35Å; F238-W294 AromaticContact CD1-CH2 3.87Å; F238-W294 HydrophobicContact CD1-CH2 3.87Å; F238-W294 AromaticContact CD1-CZ3 3.7Å; F238-W294 HydrophobicContact CD1-CZ3 3.7Å; F238-W294 HydrophobicContact CE1-CE3 4.29Å; F238-W294 HydrophobicContact CE1-CH2 4.07Å; F238-W294 HydrophobicContact CE1-CZ2 4.38Å; F238-W294 HydrophobicContact CE1-CZ3 4Å; F238-L311 HydrophobicContact CE1-CB 4.15Å; F238-L311 HydrophobicContact CZ-CB 3.86Å; F238-F315 HydrophobicContact CE2-CB 4.36Å; F238-F315 HydrophobicContact CE2-CD1 4.39Å; F238-F315 HydrophobicContact CE2-CG 4.44Å; F238-P377 HydrophobicContact CB-CG 3.97Å; F238-P377 HydrophobicContact CD1-CB 3.73Å; F238-P377 HydrophobicContact CD1-CG 3.81Å; F238-P377 HydrophobicContact CE1-CB 3.97Å; F238-P377 HydrophobicContact CG-CB 4.2Å; F238-P377 HydrophobicContact CG-CG 3.93Å; F238-F402 HydrophobicContact CD2-CE2 4.34Å; F238-F402 HydrophobicContact CE2-CD2 4.45Å; F238-F402 AromaticContact CE2-CE2 3.6Å; F238-F402 HydrophobicContact CE2-CE2 3.6Å; F238-F402 HydrophobicContact CE2-CZ 4.38Å; F238-F402 HydrophobicContact CZ-CE2 4.11Å
239C94.8Very high92Very high12 Ų1245 Ų458%0.08123%0.234CC..Hα-helixtrans-57.4-42.7174.9-73.50000112.5I235 A236 S242 S243 W294I235-C239 PolarHBondContact O-N 3.4Å; I235-C239 PolarHBondContact O-SG 3.43Å; A236-C239 PolarHBondContact O-N 2.9Å; C239-S242 PolarHBondContact O-OG 2.95Å; C239-S243 VanDerWaalsContact O-CB 3.26Å; C239-S243 WeakPolarHBondContact O-CB 3.21Å; C239-S243 PolarHBondContact O-N 3.13Å; C239-S243 PolarHBondContact O-OG 2.84Å; C239-W294 VanDerWaalsContact SG-CZ3 3.58Å
240V94.8Very high92.4Very high101 Ų10141 Ų4161%0.61222%0.218SC*.Hα-helixtrans-69-48.4177.6174.50000110.9A236 I237 F238 S243 V244A236-V240 WeakPolarHBondContact O-CG2 3.37Å; A236-V240 PolarHBondContact O-N 3.27Å; A236-V240 VanDerWaalsContact O-N 3.11Å; I237-V240 PolarHBondContact O-N 3.09Å; F238-V240 VanDerWaalsContact C-N 3.33Å; F238-V240 PolarHBondContact O-N 3.27Å; V240-S243 PolarHBondContact O-N 2.91Å; V240-V244 WeakPolarHBondContact O-CG2 3.35Å; V240-V244 PolarHBondContact O-N 3.02Å; V240-V244 VanDerWaalsContact O-N 3.09Å
241A94.1Very high92.5Very high24 Ų2440.8 Ų40.820%0.19821%0.213CC..Hα-helixtrans-65.7-40.5-17700000112.7I237 F238 V244 G245 F315I237-A241 WeakPolarHBondContact O-CB 3.37Å; I237-A241 PolarHBondContact O-N 3.05Å; F238-A241 PolarHBondContact O-N 2.87Å; A241-V244 PolarHBondContact O-N 3.08Å; A241-G245 PolarHBondContact O-N 3.3Å; A241-F315 HydrophobicContact CB-CD2 3.75Å; A241-F315 HydrophobicContact CB-CE2 3.8Å
242S95.1Very high92.6Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-71.5-36.8175.5630000112.3F238 C239 V244 G245 L246 L311F238-S242 VanDerWaalsContact O-CB 3.28Å; F238-S242 WeakPolarHBondContact O-CB 3.5Å; F238-S242 PolarHBondContact O-N 3.05Å; F238-S242 PolarHBondContact O-OG 3.46Å; C239-S242 PolarHBondContact O-OG 2.95Å; S242-V244 VanDerWaalsContact C-N 3.32Å; S242-V244 PolarHBondContact O-N 3.21Å; S242-G245 PolarHBondContact O-N 2.95Å; S242-G245 VanDerWaalsContact O-N 3.14Å; S242-L246 VanDerWaalsContact O-CB 3.25Å; S242-L246 WeakPolarHBondContact O-CB 3.32Å; S242-L246 PolarHBondContact O-N 3.21Å; S242-L311 WeakPolarHBondContact CB-O 3.47Å
243S95.9Very high92.6Very high21 Ų2145.4 Ų45.415%0.14724%0.236CC..Hα-helixtrans-57.8-44.1171.4-61.90000112.2C239 V240 Y247 S291C239-S243 VanDerWaalsContact O-CB 3.26Å; C239-S243 WeakPolarHBondContact O-CB 3.21Å; C239-S243 PolarHBondContact O-N 3.13Å; C239-S243 PolarHBondContact O-OG 2.84Å; V240-S243 PolarHBondContact O-N 2.91Å; S243-Y247 WeakPolarHBondContact O-CB 3.11Å; S243-Y247 PolarHBondContact O-N 3.46Å; S243-S291 WeakPolarHBondContact OG-CB 3.49Å; S243-S291 PolarHBondContact OG-OG 3.14Å
244V94.3Very high92.4Very high62 Ų6238.4 Ų38.438%0.37621%0.213SC..Hα-helixtrans-67.4-39.5175.8174.60000110.9V240 A241 S242 S248 Y318V240-V244 WeakPolarHBondContact O-CG2 3.35Å; V240-V244 PolarHBondContact O-N 3.02Å; V240-V244 VanDerWaalsContact O-N 3.09Å; A241-V244 PolarHBondContact O-N 3.08Å; S242-V244 VanDerWaalsContact C-N 3.32Å; S242-V244 PolarHBondContact O-N 3.21Å; V244-S248 WeakPolarHBondContact O-CB 3.4Å; V244-S248 PolarHBondContact O-N 3.11Å; V244-Y318 HydrophobicContact CG1-CE1 3.95Å; V244-Y318 HydrophobicContact CG1-CE2 3.93Å
245G94.4Very high92Very high0 Ų044.4 Ų44.40%023%0.233CC..Hα-helixtrans-64.7-47.1177.100000113.4A241 S242 S248 C249 Y318A241-G245 PolarHBondContact O-N 3.3Å; S242-G245 PolarHBondContact O-N 2.95Å; S242-G245 VanDerWaalsContact O-N 3.14Å; G245-S248 CarbonylContact O-C 3.52Å; G245-S248 WeakPolarHBondContact O-CA 3.46Å; G245-S248 VanDerWaalsContact O-CB 3.3Å; G245-S248 WeakPolarHBondContact O-CB 3.49Å; G245-S248 PolarHBondContact O-N 3.38Å; G245-S248 VanDerWaalsContact O-N 3.09Å; G245-C249 PolarHBondContact O-N 3Å; G245-C249 PolarHBondContact O-SG 2.87Å; G245-Y318 VanDerWaalsContact CA-CB 3.49Å
246L95.8Very high91.6Very high11 Ų1153.8 Ų53.86%0.05827%0.269CS..Hα-helixtrans-59.9-45.5175-177.760.4000111.3S242 S248 C249 L250 C287 I290 L311 T314S242-L246 VanDerWaalsContact O-CB 3.25Å; S242-L246 WeakPolarHBondContact O-CB 3.32Å; S242-L246 PolarHBondContact O-N 3.21Å; L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 3.28Å; L246-C249 PolarHBondContact O-N 3.01Å; L246-C249 VanDerWaalsContact O-N 3.13Å; L246-L250 HydrophobicContact CD1-CD1 3.82Å; L246-L250 HydrophobicContact CD1-CG 4.08Å; L246-L250 HydrophobicContact CG-CD1 3.95Å; L246-L250 WeakPolarHBondContact O-CB 3.49Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.26Å; L246-C287 HydrophobicContact CB-CB 4.4Å; L246-C287 HydrophobicContact CD2-CB 4.13Å; L246-C287 HydrophobicContact CG-CB 4.26Å; L246-I290 HydrophobicContact CD2-CB 4.21Å; L246-I290 HydrophobicContact CD2-CD1 3.95Å; L246-I290 HydrophobicContact CD2-CG2 4.16Å; L246-L311 HydrophobicContact CD2-CD2 4.07Å; L246-T314 HydrophobicContact CD1-CG2 3.97Å
247Y94.5Very high91Very high62 Ų6256.4 Ų56.424%0.24328%0.277CS..Hα-helixtrans-56.5-47.6170.8176-87.8000111.3S243 C249 L250 W251 L283 C287S243-Y247 WeakPolarHBondContact O-CB 3.11Å; S243-Y247 PolarHBondContact O-N 3.46Å; Y247-C249 PolarHBondContact O-N 3.32Å; Y247-L250 PolarHBondContact O-N 2.99Å; Y247-W251 HydrophobicContact CE1-CB 4.5Å; Y247-W251 HydrophobicContact CE1-CG 4.39Å; Y247-W251 WeakPolarHBondContact O-CB 3.42Å; Y247-W251 PolarHBondContact O-N 3.37Å; Y247-L283 HydrophobicContact CD2-CB 4.2Å; Y247-L283 HydrophobicContact CD2-CD2 3.76Å; Y247-L283 HydrophobicContact CD2-CG 3.7Å; Y247-L283 HydrophobicContact CE2-CB 4.14Å; Y247-L283 HydrophobicContact CE2-CD2 3.85Å; Y247-L283 HydrophobicContact CE2-CG 4.03Å; Y247-L283 HydrophobicContact CG-CD2 4.47Å; Y247-C287 VanDerWaalsContact CA-SG 3.55Å; Y247-C287 PolarHBondContact N-SG 2.9Å
248S91.6Very high90Very high21 Ų2154.9 Ų54.915%0.14728%0.275CS..Hα-helixtrans-62.8-26.6178.5-148.50000113.5V244 G245 L246 K321V244-S248 WeakPolarHBondContact O-CB 3.4Å; V244-S248 PolarHBondContact O-N 3.11Å; G245-S248 CarbonylContact O-C 3.52Å; G245-S248 WeakPolarHBondContact O-CA 3.46Å; G245-S248 VanDerWaalsContact O-CB 3.3Å; G245-S248 WeakPolarHBondContact O-CB 3.49Å; G245-S248 PolarHBondContact O-N 3.38Å; G245-S248 VanDerWaalsContact O-N 3.09Å; L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 3.28Å; S248-K321 PolarHBondContact O-NZ 3.17Å; S248-K321 VanDerWaalsContact O-NZ 3.08Å; S248-K321 PolarHBondContact OG-NZ 3.13Å
249C92.6Very high88.6Confident15 Ų1561.7 Ų61.710%0.10131%0.305CS..Hα-helixtrans-83.5-41177.5-67.90000112.8G245 L246 Y247 P252 F253 T314G245-C249 PolarHBondContact O-N 3Å; G245-C249 PolarHBondContact O-SG 2.87Å; L246-C249 PolarHBondContact O-N 3.01Å; L246-C249 VanDerWaalsContact O-N 3.13Å; Y247-C249 PolarHBondContact O-N 3.32Å; C249-P252 VanDerWaalsContact O-CD 3.31Å; C249-P252 WeakPolarHBondContact O-CD 3.41Å; C249-F253 WeakPolarHBondContact O-CD2 3.34Å; C249-F253 WeakPolarHBondContact O-CE2 3.21Å; C249-T314 HydrophobicContact CB-CG2 4.04Å
250L92.6Very high87Confident53 Ų5364.5 Ų64.528%0.27732%0.324SS..Hα-helixtrans-82.8-27.1-177.8-67.4176.4000113.7L246 Y247 P252 F253 V254 L283 F286L246-L250 HydrophobicContact CD1-CD1 3.82Å; L246-L250 HydrophobicContact CD1-CG 4.08Å; L246-L250 HydrophobicContact CG-CD1 3.95Å; L246-L250 WeakPolarHBondContact O-CB 3.49Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.26Å; Y247-L250 PolarHBondContact O-N 2.99Å; L250-P252 VanDerWaalsContact C-CD 3.4Å; L250-F253 WeakPolarHBondContact O-CB 3.27Å; L250-F253 PolarHBondContact O-N 2.73Å; L250-V254 PolarHBondContact O-N 3.17Å; L250-V254 VanDerWaalsContact O-N 3.08Å; L250-L283 HydrophobicContact CB-CD1 3.8Å; L250-L283 HydrophobicContact CB-CD2 4.17Å; L250-L283 HydrophobicContact CD1-CD1 3.87Å; L250-F286 HydrophobicContact CD1-CD1 4.23Å; L250-F286 HydrophobicContact CD1-CE1 4.04Å
251W90.1Very high85.5Confident46 Ų4667 Ų6717%0.17433%0.326CS..Hα-helixtrans-53.4-37.4-177.2-179-132.9000115.8Y247 F253 R255 A280 L283Y247-W251 HydrophobicContact CE1-CB 4.5Å; Y247-W251 HydrophobicContact CE1-CG 4.39Å; Y247-W251 WeakPolarHBondContact O-CB 3.42Å; Y247-W251 PolarHBondContact O-N 3.37Å; W251-F253 VanDerWaalsContact C-N 3.3Å; W251-F253 PolarHBondContact O-N 3.46Å; W251-R255 HydrophobicContact CD2-CG 4.13Å; W251-R255 HydrophobicContact CE3-CG 4.26Å; W251-R255 HydrophobicContact CZ2-CG 4.4Å; W251-R255 VanDerWaalsContact CZ2-NE 3.32Å; W251-R255 HydrophobicContact CZ3-CG 4.44Å; W251-R255 VanDerWaalsContact NE1-CZ 3.26Å; W251-R255 WeakPolarHBondContact O-CB 3.39Å; W251-R255 VanDerWaalsContact O-CG 3.32Å; W251-R255 WeakPolarHBondContact O-CG 3.25Å; W251-R255 PolarHBondContact O-N 3.4Å; W251-A280 HydrophobicContact CH2-CB 3.86Å; W251-A280 HydrophobicContact CZ3-CB 3.89Å; W251-L283 HydrophobicContact CB-CD2 4.14Å; W251-L283 HydrophobicContact CE3-CD2 4.09Å
252P87.3Confident84.1Confident49 Ų4970 Ų7032%0.31835%0.345SS..Hα-helixtrans-62.5-32.8172.6-21.633.9000114W175 C249 L250W175-P252 HydrophobicContact CH2-CG 4.14Å; W175-P252 HydrophobicContact CZ2-CG 3.87Å; C249-P252 VanDerWaalsContact O-CD 3.31Å; C249-P252 WeakPolarHBondContact O-CD 3.41Å; L250-P252 VanDerWaalsContact C-CD 3.4Å
253F87Confident82.7Confident124 Ų12477.1 Ų77.154%0.54437%0.372SS..Hα-helixtrans-76.8-49.9178.6-59.1-92.3000110.3C249 L250 W251 R255 R256C249-F253 WeakPolarHBondContact O-CD2 3.34Å; C249-F253 WeakPolarHBondContact O-CE2 3.21Å; L250-F253 WeakPolarHBondContact O-CB 3.27Å; L250-F253 PolarHBondContact O-N 2.73Å; W251-F253 VanDerWaalsContact C-N 3.3Å; W251-F253 PolarHBondContact O-N 3.46Å; F253-R255 PolarHBondContact O-N 2.87Å; F253-R256 WeakPolarHBondContact O-CB 3.28Å; F253-R256 PolarHBondContact O-N 2.89Å
254V85.6Confident81.1Confident31 Ų3178 Ų7819%0.18837%0.374CS..Hα-helixtrans-60.1-29.1176.3176.10000112.3L250 R256 I257 R279 L283L250-V254 PolarHBondContact O-N 3.17Å; L250-V254 VanDerWaalsContact O-N 3.08Å; V254-R256 VanDerWaalsContact C-N 3.3Å; V254-R256 PolarHBondContact O-N 3.49Å; V254-I257 PolarHBondContact O-N 2.83Å; V254-R279 HydrophobicContact CG1-CB 4.19Å; V254-L283 HydrophobicContact CB-CD2 4.19Å; V254-L283 HydrophobicContact CG2-CD1 4.04Å; V254-L283 HydrophobicContact CG2-CD2 3.93Å; V254-L283 HydrophobicContact CG2-CG 4.43Å
255R81Confident79.4Confident142 Ų14280 Ų8054%0.53639%0.389SS..THydrogen-bonded Turntrans-65.8-26.5172.7-85.3179.8167.1-173.3-2114.5W251 F253 R279W251-R255 HydrophobicContact CD2-CG 4.13Å; W251-R255 HydrophobicContact CE3-CG 4.26Å; W251-R255 HydrophobicContact CZ2-CG 4.4Å; W251-R255 VanDerWaalsContact CZ2-NE 3.32Å; W251-R255 HydrophobicContact CZ3-CG 4.44Å; W251-R255 VanDerWaalsContact NE1-CZ 3.26Å; W251-R255 WeakPolarHBondContact O-CB 3.39Å; W251-R255 VanDerWaalsContact O-CG 3.32Å; W251-R255 WeakPolarHBondContact O-CG 3.25Å; W251-R255 PolarHBondContact O-N 3.4Å; F253-R255 PolarHBondContact O-N 2.87Å; R255-R279 PolarHBondContact O-NH1 3.46Å
256R82.3Confident77.3Confident199 Ų19987 Ų8775%0.75142%0.421SS*.THydrogen-bonded Turntrans-80.6-23.3177.1-68.8171.4169.4155.2-6.3113.1F253 V254F253-R256 WeakPolarHBondContact O-CB 3.28Å; F253-R256 PolarHBondContact O-N 2.89Å; V254-R256 VanDerWaalsContact C-N 3.3Å; V254-R256 PolarHBondContact O-N 3.49Å
257I80.4Confident75.3Confident85 Ų8591.3 Ų91.344%0.43644%0.444SS..  trans-70.9131.4-178.6-61.2177.4000109.6V254 F259V254-I257 PolarHBondContact O-N 2.83Å; I257-F259 HydrophobicContact CG2-CB 4.19Å; I257-F259 HydrophobicContact CG2-CD2 3.74Å; I257-F259 HydrophobicContact CG2-CG 4.45Å
258P71.6Confident73.4Confident81 Ų8196.2 Ų96.253%0.52648%0.475SS..  trans-80.2-14.8-174.431.5-36.4000114.5K261P258-K261 WeakPolarHBondContact O-CE 3.34Å; P258-K261 WeakPolarHBondContact O-CG 3.44Å
259F65.8Low71.6Confident157 Ų157103.4 Ų103.469%0.68950%0.499SS*.SBendtrans-74.5166.2-178.7-59.7-73.5000113.2I257 K261I257-F259 HydrophobicContact CG2-CB 4.19Å; I257-F259 HydrophobicContact CG2-CD2 3.74Å; I257-F259 HydrophobicContact CG2-CG 4.45Å; F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 3.44Å; F259-K261 VanDerWaalsContact O-N 3.16Å
260C60.2Low69.9Low70 Ų70107.4 Ų107.447%0.47353%0.525SS..  trans51.739.3171.8-58.10000115.4C262 R279C260-C262 PolarHBondContact O-N 2.95Å; C260-R279 HydrophobicContact CB-CB 4.22Å
261K63.1Low68.1Low154 Ų154115.3 Ų115.367%0.6755%0.552SS**  trans-67.1-13.8174.2-71.1173.7178.8168.20114.1P258 F259P258-K261 WeakPolarHBondContact O-CE 3.34Å; P258-K261 WeakPolarHBondContact O-CG 3.44Å; F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 3.44Å; F259-K261 VanDerWaalsContact O-N 3.16Å
262C65.1Low66.4Low87 Ų87116.3 Ų116.359%0.58856%0.561SS**  trans-57.1140.8-177.7-57.10000112.3C260 I278C260-C262 PolarHBondContact O-N 2.95Å; C262-I278 HydrophobicContact CB-CD1 3.97Å; C262-I278 WeakPolarHBondContact O-CG1 3.15Å; C262-I278 PolarHBondContact O-N 2.68Å; C262-I278 VanDerWaalsContact O-N 3.08Å
263R65.4Low64.5Low149 Ų149121.5 Ų121.556%0.56258%0.58SS**BIsolated β-bridgetrans-109.4141.6178.2-159.6176.5-168.2-177.1-1.4108R275 P276R263-R275 HydrophobicContact CG-CB 4.21Å; R263-R275 PolarHBondContact NE-O 3.48Å; R263-R275 PolarHBondContact NH2-O 3.39Å; R263-R275 VanDerWaalsContact NH2-O 3.13Å; R263-P276 WeakPolarHBondContact CG-O 3.47Å
264I63.5Low63.1Low39 Ų39125 Ų12520%0.260%0.596CS.*PPolyproline II helixtrans-64.3137.5-178-55175.1000108.9P276 I278 L281I264-P276 HydrophobicContact CD1-CB 4.13Å; I264-P276 HydrophobicContact CD1-CG 4.23Å; I264-P276 PolarHBondContact N-O 3.34Å; I264-I278 HydrophobicContact CG1-CD1 4.48Å; I264-I278 HydrophobicContact CG1-CG1 3.8Å; I264-L281 HydrophobicContact CD1-CD1 3.47Å; I264-L281 VanDerWaalsContact CD1-CD1 3.47Å
265P57.1Low61.9Low105 Ų105128.8 Ų128.868%0.68261%0.606SS**PPolyproline II helixtrans-57.2170.1170.5-25.135.4000112.8
266E51.5Low61.2Low147 Ų147123.3 Ų123.369%0.68759%0.589SS**PPolyproline II helixtrans-72.4135.8175-67.6-179.1148.300110.7R275E266-R275 IonicContact OE1-CZ 2.73Å; E266-R275 IonicContact OE1-NE 2.98Å; E266-R275 PolarHBondContact OE1-NE 2.92Å; E266-R275 VanDerWaalsContact OE1-NE 3.07Å; E266-R275 IonicContact OE1-NH2 3.49Å; E266-R275 PolarHBondContact OE1-NH2 2.93Å; E266-R275 IonicContact OE2-NH2 3.65Å
267N53Low60.9Low101 Ų101117.4 Ų117.454%0.5457%0.57SS.*  trans-144.5135.8177.7-174.327.6000107.7W269N267-W269 PolarHBondContact O-N 2.94Å
268N55.2Low61Low166 Ų166116.8 Ų116.889%0.88857%0.567SS**  trans-73.926.5-170.2-80.9-4.2000114.7P270N268-P270 WeakPolarHBondContact O-CD 3Å
269W54.2Low61.5Low172 Ų172114.8 Ų114.865%0.65255%0.549SS*.  trans-83.6119.6179.4-150.3-46.7000109.9N267 Y271 L272N267-W269 PolarHBondContact O-N 2.94Å; W269-Y271 PolarHBondContact O-N 2.9Å; W269-L272 HydrophobicContact CB-CB 4.42Å; W269-L272 PolarHBondContact O-N 3.49Å
270P55.8Low62.4Low98 Ų98108.1 Ų108.164%0.63652%0.522SS*.G310 helixtrans-55.9-30.4-171.415.1-30.2000115N268 L272 H273N268-P270 WeakPolarHBondContact O-CD 3Å; P270-L272 PolarHBondContact O-N 3.11Å; P270-H273 PolarHBondContact O-ND1 3.01Å
271Y55.3Low63.6Low220 Ų220108.6 Ų108.686%0.86352%0.52SS*.G310 helixtrans-74.2-17.1177.7-106.9-93.4000115W269W269-Y271 PolarHBondContact O-N 2.9Å
272L53.6Low64.9Low66 Ų66106.5 Ų106.535%0.34652%0.516SS..G310 helixtrans-102.66.3-167.3-136.579.1000115.6W269 P270 K274 R275 P276W269-L272 HydrophobicContact CB-CB 4.42Å; W269-L272 PolarHBondContact O-N 3.49Å; P270-L272 PolarHBondContact O-N 3.11Å; L272-K274 CarbonylContact O-C 3.59Å; L272-K274 PolarHBondContact O-N 3.29Å; L272-R275 PolarHBondContact O-N 2.91Å; L272-P276 HydrophobicContact CD1-CG 4.45Å; L272-P276 HydrophobicContact CG-CG 4.28Å
273H48.9Very low66.2Low159 Ų159102.7 Ų102.774%0.73649%0.489SS*.  trans-48-34.7-177.2-80.392.7000114.7P270 R275P270-H273 PolarHBondContact O-ND1 3.01Å; H273-R275 VanDerWaalsContact C-N 3.27Å; H273-R275 PolarHBondContact O-N 3.47Å
274K56.2Low67.4Low198 Ų19898.1 Ų98.186%0.86148%0.48SS*.SBendtrans-80.268.2174.6-68.5-174.7179.9176.70111.5L272 P276L272-K274 CarbonylContact O-C 3.59Å; L272-K274 PolarHBondContact O-N 3.29Å; K274-P276 WeakPolarHBondContact O-CD 3.5Å
275R61.1Low68.8Low110 Ų11099 Ų9942%0.41549%0.494SS..  trans-21.796.4179.5-68-167-166.3179.58.9113R263 E266 L272 H273R263-R275 HydrophobicContact CG-CB 4.21Å; R263-R275 PolarHBondContact NE-O 3.48Å; R263-R275 PolarHBondContact NH2-O 3.39Å; R263-R275 VanDerWaalsContact NH2-O 3.13Å; E266-R275 IonicContact OE1-CZ 2.73Å; E266-R275 IonicContact OE1-NE 2.98Å; E266-R275 PolarHBondContact OE1-NE 2.92Å; E266-R275 VanDerWaalsContact OE1-NE 3.07Å; E266-R275 IonicContact OE1-NH2 3.49Å; E266-R275 PolarHBondContact OE1-NH2 2.93Å; E266-R275 IonicContact OE2-NH2 3.65Å; L272-R275 PolarHBondContact O-N 2.91Å; H273-R275 VanDerWaalsContact C-N 3.27Å; H273-R275 PolarHBondContact O-N 3.47Å
276P67Low70.6Confident27 Ų2799.2 Ų99.218%0.17548%0.484CS..  trans-72.6155.1-173.3-19.932.6000113.4R263 I264 L272 K274 L281R263-P276 WeakPolarHBondContact CG-O 3.47Å; I264-P276 HydrophobicContact CD1-CB 4.13Å; I264-P276 HydrophobicContact CD1-CG 4.23Å; I264-P276 PolarHBondContact N-O 3.34Å; L272-P276 HydrophobicContact CD1-CG 4.45Å; L272-P276 HydrophobicContact CG-CG 4.28Å; K274-P276 WeakPolarHBondContact O-CD 3.5Å; P276-L281 HydrophobicContact CB-CG 4.29Å
277Q75.8Confident72.7Confident75 Ų7592.2 Ų92.235%0.3545%0.451SS..BIsolated β-bridgetrans-82.9134165.7-65.2-176.4-9.600108.7R279 A280Q277-R279 VanDerWaalsContact C-N 3.26Å; Q277-R279 HydrophobicContact CB-CG 4.15Å; Q277-R279 PolarHBondContact O-N 3.02Å; Q277-A280 VanDerWaalsContact O-CB 3.3Å; Q277-A280 WeakPolarHBondContact O-CB 3.18Å; Q277-A280 PolarHBondContact O-N 3.39Å
278I81.2Confident74.7Confident71 Ų7189.3 Ų89.336%0.36444%0.441SS..Hα-helixtrans-59.5-38.8-174.3-67.2178.1000111.4C262 I264 A280 L281 L282C262-I278 HydrophobicContact CB-CD1 3.97Å; C262-I278 WeakPolarHBondContact O-CG1 3.15Å; C262-I278 PolarHBondContact O-N 2.68Å; C262-I278 VanDerWaalsContact O-N 3.08Å; I264-I278 HydrophobicContact CG1-CD1 4.48Å; I264-I278 HydrophobicContact CG1-CG1 3.8Å; I278-A280 PolarHBondContact O-N 2.7Å; I278-A280 VanDerWaalsContact O-N 3.15Å; I278-L281 PolarHBondContact O-N 2.99Å; I278-L281 VanDerWaalsContact O-N 3.15Å; I278-L282 PolarHBondContact O-N 3.29Å
279R82.3Confident76.7Confident40 Ų4084.2 Ų84.215%0.15142%0.418CS..Hα-helixtrans-58.1-23.8173.366.6178.8-178.3170.1-0.7115.2V254 R255 C260 Q277 L283V254-R279 HydrophobicContact CG1-CB 4.19Å; R255-R279 PolarHBondContact O-NH1 3.46Å; C260-R279 HydrophobicContact CB-CB 4.22Å; Q277-R279 VanDerWaalsContact C-N 3.26Å; Q277-R279 HydrophobicContact CB-CG 4.15Å; Q277-R279 PolarHBondContact O-N 3.02Å; R279-L283 WeakPolarHBondContact O-CB 3.29Å; R279-L283 PolarHBondContact O-N 2.88Å
280A84.7Confident78.6Confident16 Ų1677.8 Ų77.813%0.13240%0.396CS..Hα-helixtrans-77.3-43.7175.900000111.1W251 Q277 I278 L283 S284W251-A280 HydrophobicContact CH2-CB 3.86Å; W251-A280 HydrophobicContact CZ3-CB 3.89Å; Q277-A280 VanDerWaalsContact O-CB 3.3Å; Q277-A280 WeakPolarHBondContact O-CB 3.18Å; Q277-A280 PolarHBondContact O-N 3.39Å; I278-A280 PolarHBondContact O-N 2.7Å; I278-A280 VanDerWaalsContact O-N 3.15Å; A280-L283 PolarHBondContact O-N 2.89Å; A280-S284 PolarHBondContact O-N 2.84Å; A280-S284 PolarHBondContact O-OG 3.16Å
281L86.7Confident80.5Confident80 Ų8073.2 Ų73.242%0.41937%0.367SS..Hα-helixtrans-65.5-42175.4-66.4-172.2000112.1I264 P276 I278 L283 S284 A285I264-L281 HydrophobicContact CD1-CD1 3.47Å; I264-L281 VanDerWaalsContact CD1-CD1 3.47Å; P276-L281 HydrophobicContact CB-CG 4.29Å; I278-L281 PolarHBondContact O-N 2.99Å; I278-L281 VanDerWaalsContact O-N 3.15Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.86Å; L281-S284 WeakPolarHBondContact CA-OG 3.47Å; L281-S284 PolarHBondContact O-N 3.49Å; L281-S284 PolarHBondContact O-OG 3.49Å; L281-A285 WeakPolarHBondContact O-CB 3.45Å; L281-A285 PolarHBondContact O-N 2.93Å
282L89.5Confident82.4Confident111 Ų11166.9 Ų66.958%0.58135%0.351SS*.Hα-helixtrans-60.5-43.1175.6-171.5154.2000110.8I278 A285 F286I278-L282 PolarHBondContact O-N 3.29Å; L282-A285 PolarHBondContact O-N 3.48Å; L282-F286 WeakPolarHBondContact O-CB 3.42Å; L282-F286 PolarHBondContact O-N 2.89Å
283L91.4Very high84.3Confident7 Ų766.8 Ų66.84%0.03735%0.353CS..Hα-helixtrans-65.7-43.1175.1-178.459.9000112.4Y247 L250 W251 V254 R279 A280 L281 A285 F286 C287Y247-L283 HydrophobicContact CD2-CB 4.2Å; Y247-L283 HydrophobicContact CD2-CD2 3.76Å; Y247-L283 HydrophobicContact CD2-CG 3.7Å; Y247-L283 HydrophobicContact CE2-CB 4.14Å; Y247-L283 HydrophobicContact CE2-CD2 3.85Å; Y247-L283 HydrophobicContact CE2-CG 4.03Å; Y247-L283 HydrophobicContact CG-CD2 4.47Å; L250-L283 HydrophobicContact CB-CD1 3.8Å; L250-L283 HydrophobicContact CB-CD2 4.17Å; L250-L283 HydrophobicContact CD1-CD1 3.87Å; W251-L283 HydrophobicContact CB-CD2 4.14Å; W251-L283 HydrophobicContact CE3-CD2 4.09Å; V254-L283 HydrophobicContact CB-CD2 4.19Å; V254-L283 HydrophobicContact CG2-CD1 4.04Å; V254-L283 HydrophobicContact CG2-CD2 3.93Å; V254-L283 HydrophobicContact CG2-CG 4.43Å; R279-L283 WeakPolarHBondContact O-CB 3.29Å; R279-L283 PolarHBondContact O-N 2.88Å; A280-L283 PolarHBondContact O-N 2.89Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.86Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 2.91Å; L283-F286 HydrophobicContact CD1-CD1 4.35Å; L283-F286 PolarHBondContact O-N 3.15Å; L283-C287 PolarHBondContact O-N 3.12Å; L283-C287 PolarHBondContact O-SG 2.83Å
284S91.4Very high86.5Confident52 Ų5259.4 Ų59.436%0.36432%0.318SS..Hα-helixtrans-65.5-36.8177.954.80000112.4A280 L281 C287 A288A280-S284 PolarHBondContact O-N 2.84Å; A280-S284 PolarHBondContact O-OG 3.16Å; L281-S284 WeakPolarHBondContact CA-OG 3.47Å; L281-S284 PolarHBondContact O-N 3.49Å; L281-S284 PolarHBondContact O-OG 3.49Å; S284-C287 PolarHBondContact O-N 3.32Å; S284-A288 WeakPolarHBondContact O-CB 3.34Å; S284-A288 PolarHBondContact O-N 3.43Å
285A93.3Very high88.1Confident59 Ų5952.8 Ų52.849%0.48829%0.291SS..Hα-helixtrans-64.4-43.4174.200000111.6L281 L282 L283 A288 S289L281-A285 WeakPolarHBondContact O-CB 3.45Å; L281-A285 PolarHBondContact O-N 2.93Å; L282-A285 PolarHBondContact O-N 3.48Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 2.91Å; A285-A288 PolarHBondContact O-N 3.18Å; A285-S289 WeakPolarHBondContact O-CB 3.37Å; A285-S289 PolarHBondContact O-N 3.12Å; A285-S289 PolarHBondContact O-OG 3.08Å
286F94.7Very high89.6Confident108 Ų10852.4 Ų52.447%0.47430%0.301SS..Hα-helixtrans-63.5-40175177.8-101.5000113.1L250 L282 L283 S289 I290L250-F286 HydrophobicContact CD1-CD1 4.23Å; L250-F286 HydrophobicContact CD1-CE1 4.04Å; L282-F286 WeakPolarHBondContact O-CB 3.42Å; L282-F286 PolarHBondContact O-N 2.89Å; L283-F286 HydrophobicContact CD1-CD1 4.35Å; L283-F286 PolarHBondContact O-N 3.15Å; F286-S289 WeakPolarHBondContact CA-OG 3.26Å; F286-S289 PolarHBondContact O-OG 3.22Å; F286-I290 HydrophobicContact CD1-CD1 4.01Å; F286-I290 HydrophobicContact CE1-CD1 3.52Å; F286-I290 HydrophobicContact CE2-CD1 4.21Å; F286-I290 HydrophobicContact CZ-CD1 3.64Å; F286-I290 WeakPolarHBondContact O-CG1 3.36Å; F286-I290 PolarHBondContact O-N 2.93Å
287C95.9Very high90.6Very high1 Ų155.6 Ų55.61%0.00731%0.312CS..Hα-helixtrans-67.8-41.4176.1-61.20000111.3L246 Y247 L283 S284 S291L246-C287 HydrophobicContact CB-CB 4.4Å; L246-C287 HydrophobicContact CD2-CB 4.13Å; L246-C287 HydrophobicContact CG-CB 4.26Å; Y247-C287 VanDerWaalsContact CA-SG 3.55Å; Y247-C287 PolarHBondContact N-SG 2.9Å; L283-C287 PolarHBondContact O-N 3.12Å; L283-C287 PolarHBondContact O-SG 2.83Å; S284-C287 PolarHBondContact O-N 3.32Å; C287-S291 PolarHBondContact O-N 3.29Å; C287-S291 PolarHBondContact O-OG 3.46Å
288A95.6Very high91Very high40 Ų4054.5 Ų54.533%0.33131%0.305SS..Hα-helixtrans-65.9-39.5176.200000112.3S284 A285 I290 S291 V292S284-A288 WeakPolarHBondContact O-CB 3.34Å; S284-A288 PolarHBondContact O-N 3.43Å; A285-A288 PolarHBondContact O-N 3.18Å; A288-I290 PolarHBondContact O-N 3.14Å; A288-S291 PolarHBondContact O-N 2.82Å; A288-V292 WeakPolarHBondContact O-CG2 3.32Å; A288-V292 PolarHBondContact O-N 3.19Å
289S95.4Very high90.9Very high58 Ų5856.6 Ų56.641%0.40632%0.317SS..Hα-helixtrans-66.4-36.4178.962.20000112.5A285 F286 V292 V293A285-S289 WeakPolarHBondContact O-CB 3.37Å; A285-S289 PolarHBondContact O-N 3.12Å; A285-S289 PolarHBondContact O-OG 3.08Å; F286-S289 WeakPolarHBondContact CA-OG 3.26Å; F286-S289 PolarHBondContact O-OG 3.22Å; S289-V292 PolarHBondContact O-N 2.87Å; S289-V293 WeakPolarHBondContact O-CB 3.45Å; S289-V293 VanDerWaalsContact O-CG2 3.27Å; S289-V293 WeakPolarHBondContact O-CG2 3.24Å; S289-V293 PolarHBondContact O-N 2.81Å
290I95.7Very high90.8Very high37 Ų3759.3 Ų59.319%0.1933%0.331CS..Hα-helixtrans-61.3-46.6172.9-69.7167.4000110.8L246 F286 A288 V292 V293 W294 L307 L311L246-I290 HydrophobicContact CD2-CB 4.21Å; L246-I290 HydrophobicContact CD2-CD1 3.95Å; L246-I290 HydrophobicContact CD2-CG2 4.16Å; F286-I290 HydrophobicContact CD1-CD1 4.01Å; F286-I290 HydrophobicContact CE1-CD1 3.52Å; F286-I290 HydrophobicContact CE2-CD1 4.21Å; F286-I290 HydrophobicContact CZ-CD1 3.64Å; F286-I290 WeakPolarHBondContact O-CG1 3.36Å; F286-I290 PolarHBondContact O-N 2.93Å; A288-I290 PolarHBondContact O-N 3.14Å; I290-V292 PolarHBondContact O-N 3.48Å; I290-V293 PolarHBondContact O-N 2.91Å; I290-W294 PolarHBondContact O-N 3.41Å; I290-L307 HydrophobicContact CG2-CD2 4.19Å; I290-L311 HydrophobicContact CG2-CD2 4.19Å
291S95.3Very high90Very high2 Ų260.6 Ų60.61%0.01434%0.336CS..Hα-helixtrans-65.7-35.5178.6-53.40000112.9S243 C287 A288 M295S243-S291 WeakPolarHBondContact OG-CB 3.49Å; S243-S291 PolarHBondContact OG-OG 3.14Å; C287-S291 PolarHBondContact O-N 3.29Å; C287-S291 PolarHBondContact O-OG 3.46Å; A288-S291 PolarHBondContact O-N 2.82Å; S291-M295 VanDerWaalsContact O-CB 3.29Å; S291-M295 WeakPolarHBondContact O-CB 3.24Å; S291-M295 PolarHBondContact O-N 2.92Å
292V94.7Very high89.4Confident88 Ų8864.7 Ų64.753%0.53335%0.353SS..Hα-helixtrans-70-42174.2170.10000111.6A288 S289 I290 M295 V296A288-V292 WeakPolarHBondContact O-CG2 3.32Å; A288-V292 PolarHBondContact O-N 3.19Å; S289-V292 PolarHBondContact O-N 2.87Å; I290-V292 PolarHBondContact O-N 3.48Å; V292-M295 PolarHBondContact O-N 3.35Å; V292-V296 HydrophobicContact CG1-CG2 4.47Å; V292-V296 WeakPolarHBondContact O-CG2 3.39Å; V292-V296 PolarHBondContact O-N 3.32Å
293V94.5Very high89.1Confident63 Ų6364.5 Ų64.538%0.38234%0.344SS..Hα-helixtrans-59.5-47.7173.8166.70000110.2S289 I290 M295 V296 F297 W303 L307S289-V293 WeakPolarHBondContact O-CB 3.45Å; S289-V293 VanDerWaalsContact O-CG2 3.27Å; S289-V293 WeakPolarHBondContact O-CG2 3.24Å; S289-V293 PolarHBondContact O-N 2.81Å; I290-V293 PolarHBondContact O-N 2.91Å; V293-M295 PolarHBondContact O-N 2.91Å; V293-V296 PolarHBondContact O-N 2.86Å; V293-F297 HydrophobicContact CG1-CD2 4.06Å; V293-F297 WeakPolarHBondContact O-CD2 3.42Å; V293-F297 PolarHBondContact O-N 3.13Å; V293-W303 HydrophobicContact CG1-CH2 4.23Å; V293-L307 HydrophobicContact CG1-CD1 3.99Å
294W93.9Very high88.9Confident4 Ų464.3 Ų64.32%0.01534%0.344CS..Hα-helixtrans-58.5-46.5173.3175.174000111.9I235 F238 C239 I290 V296 F297 R298 L307 Q308 L311 P377I235-W294 HydrophobicContact CG2-CH2 4.22Å; I235-W294 HydrophobicContact CG2-CZ3 4.06Å; F238-W294 HydrophobicContact CD1-CE3 4.35Å; F238-W294 AromaticContact CD1-CH2 3.87Å; F238-W294 HydrophobicContact CD1-CH2 3.87Å; F238-W294 AromaticContact CD1-CZ3 3.7Å; F238-W294 HydrophobicContact CD1-CZ3 3.7Å; F238-W294 HydrophobicContact CE1-CE3 4.29Å; F238-W294 HydrophobicContact CE1-CH2 4.07Å; F238-W294 HydrophobicContact CE1-CZ2 4.38Å; F238-W294 HydrophobicContact CE1-CZ3 4Å; C239-W294 VanDerWaalsContact SG-CZ3 3.58Å; I290-W294 PolarHBondContact O-N 3.41Å; W294-V296 VanDerWaalsContact C-N 3.31Å; W294-V296 PolarHBondContact O-N 2.91Å; W294-F297 CarbonylContact O-C 3.16Å; W294-F297 PolarHBondContact O-N 3.38Å; W294-R298 HydrophobicContact CZ2-CB 4.13Å; W294-R298 VanDerWaalsContact O-CA 3.29Å; W294-R298 WeakPolarHBondContact O-CA 3.17Å; W294-R298 WeakPolarHBondContact O-CB 3.38Å; W294-R298 PolarHBondContact O-N 3.13Å; W294-L307 HydrophobicContact CB-CB 4.05Å; W294-L307 HydrophobicContact CB-CD1 4.09Å; W294-L307 HydrophobicContact CG-CB 4.19Å; W294-Q308 HydrophobicContact CZ2-CG 4.18Å; W294-L311 HydrophobicContact CB-CD1 3.64Å; W294-L311 HydrophobicContact CD2-CD1 4.08Å; W294-L311 HydrophobicContact CE3-CD1 4.29Å; W294-L311 HydrophobicContact CG-CD1 3.76Å; W294-P377 HydrophobicContact CH2-CB 3.47Å; W294-P377 VanDerWaalsContact CH2-CB 3.47Å; W294-P377 HydrophobicContact CH2-CG 3.95Å; W294-P377 HydrophobicContact CZ2-CB 3.7Å
295M90.9Very high88.7Confident59 Ų5964.9 Ų64.929%0.29134%0.338SS..Hα-helixtrans-60.8-37.5-179-172.1175.6176.800112.8I235 S291 V292 V293 R298I235-M295 HydrophobicContact CG2-CE 4.29Å; I235-M295 HydrophobicContact CG2-CG 4.16Å; S291-M295 VanDerWaalsContact O-CB 3.29Å; S291-M295 WeakPolarHBondContact O-CB 3.24Å; S291-M295 PolarHBondContact O-N 2.92Å; V292-M295 PolarHBondContact O-N 3.35Å; V293-M295 PolarHBondContact O-N 2.91Å; M295-R298 WeakPolarHBondContact O-CG 3.48Å; M295-R298 PolarHBondContact O-NH1 2.97Å
296V91.1Very high88.6Confident102 Ų10265.4 Ų65.462%0.61834%0.335SS*.Hα-helixtrans-72.4-47.2177.5170.90000111.2V292 V293 W294 R298V292-V296 HydrophobicContact CG1-CG2 4.47Å; V292-V296 WeakPolarHBondContact O-CG2 3.39Å; V292-V296 PolarHBondContact O-N 3.32Å; V293-V296 PolarHBondContact O-N 2.86Å; W294-V296 VanDerWaalsContact C-N 3.31Å; W294-V296 PolarHBondContact O-N 2.91Å; V296-R298 VanDerWaalsContact C-N 3.34Å; V296-R298 PolarHBondContact O-N 3Å
297F88.6Confident88.4Confident94 Ų9462.1 Ų62.141%0.41232%0.322SS..SBendtrans-92.217.3-176.6-64-75.6000113.7V293 W294 N299 E300 W303 A304V293-F297 HydrophobicContact CG1-CD2 4.06Å; V293-F297 WeakPolarHBondContact O-CD2 3.42Å; V293-F297 PolarHBondContact O-N 3.13Å; W294-F297 CarbonylContact O-C 3.16Å; W294-F297 PolarHBondContact O-N 3.38Å; F297-N299 PolarHBondContact O-N 3.02Å; F297-E300 HydrophobicContact CB-CG 4.28Å; F297-E300 HydrophobicContact CD1-CG 4.2Å; F297-E300 WeakPolarHBondContact O-CB 3.27Å; F297-E300 PolarHBondContact O-N 3.48Å; F297-W303 HydrophobicContact CB-CH2 3.67Å; F297-W303 HydrophobicContact CB-CZ2 3.5Å; F297-W303 VanDerWaalsContact CB-CZ2 3.5Å; F297-W303 AromaticContact CD1-CZ2 3.98Å; F297-W303 HydrophobicContact CD1-CZ2 3.98Å; F297-W303 AromaticContact CD2-CH2 3.84Å; F297-W303 HydrophobicContact CD2-CH2 3.84Å; F297-W303 HydrophobicContact CD2-CZ2 4.03Å; F297-W303 AromaticContact CG-CH2 3.79Å; F297-W303 HydrophobicContact CG-CH2 3.79Å; F297-W303 AromaticContact CG-CZ2 3.57Å; F297-W303 HydrophobicContact CG-CZ2 3.57Å; F297-A304 VanDerWaalsContact O-CB 3.24Å; F297-A304 WeakPolarHBondContact O-CB 3.48Å
298R83.6Confident88.3Confident53 Ų5362.2 Ų62.220%0.232%0.323CS..THydrogen-bonded Turntrans-59.1-19.2-171.766.5178.8178.7-96.312.5115.6W294 M295 V296 E374W294-R298 HydrophobicContact CZ2-CB 4.13Å; W294-R298 VanDerWaalsContact O-CA 3.29Å; W294-R298 WeakPolarHBondContact O-CA 3.17Å; W294-R298 WeakPolarHBondContact O-CB 3.38Å; W294-R298 PolarHBondContact O-N 3.13Å; M295-R298 WeakPolarHBondContact O-CG 3.48Å; M295-R298 PolarHBondContact O-NH1 2.97Å; V296-R298 VanDerWaalsContact C-N 3.34Å; V296-R298 PolarHBondContact O-N 3Å; R298-E374 IonicContact CZ-OE1 2.66Å; R298-E374 IonicContact NE-OE1 3.69Å; R298-E374 IonicContact NH2-OE1 2.68Å; R298-E374 PolarHBondContact NH2-OE1 3.07Å
299N79.4Confident88.2Confident114 Ų11460.6 Ų60.661%0.6131%0.308SS*.THydrogen-bonded Turntrans-90-9178.2-63.7-1.5000113.1F297 D301F297-N299 PolarHBondContact O-N 3.02Å; N299-D301 VanDerWaalsContact C-N 3.29Å; N299-D301 PolarHBondContact O-N 3.45Å
300E80.3Confident88.2Confident97 Ų9760.9 Ų60.945%0.45331%0.308SS..  trans-80.572.6179.6-66.8-64.9160.400111.1F297 Q302 W303 A304F297-E300 HydrophobicContact CB-CG 4.28Å; F297-E300 HydrophobicContact CD1-CG 4.2Å; F297-E300 WeakPolarHBondContact O-CB 3.27Å; F297-E300 PolarHBondContact O-N 3.48Å; E300-Q302 PolarHBondContact O-N 3.15Å; E300-W303 PolarHBondContact O-N 3.05Å; E300-W303 VanDerWaalsContact O-N 3.09Å; E300-A304 HydrophobicContact CB-CB 4.37Å; E300-A304 VanDerWaalsContact O-CB 3.24Å; E300-A304 WeakPolarHBondContact O-CB 3.34Å; E300-A304 PolarHBondContact O-N 2.82Å
301D67.8Low88.2Confident43 Ų4359.1 Ų59.123%0.2330%0.299CS..THydrogen-bonded Turntrans-55.8-16.1-175.1-84.2-33.5000113.9N299 W303 W305 K375 F397N299-D301 VanDerWaalsContact C-N 3.29Å; N299-D301 PolarHBondContact O-N 3.45Å; D301-W303 PolarHBondContact O-N 2.97Å; D301-W305 VanDerWaalsContact O-CD1 3.3Å; D301-K375 IonicContact OD2-NZ 3.93Å; D301-K375 PolarHBondContact OD2-NZ 2.78Å; D301-F397 HydrophobicContact CB-CE2 3.96Å; D301-F397 HydrophobicContact CB-CZ 3.97Å; D301-F397 WeakPolarHBondContact O-CZ 3.35Å
302Q74.8Confident88.2Confident167 Ų16759 Ų5978%0.7830%0.298SS*.THydrogen-bonded Turntrans-61.4-38.3173.4-68.8-65.1-50.700113.8E300 W305E300-Q302 PolarHBondContact O-N 3.15Å; Q302-W305 PolarHBondContact O-NE1 3.09Å
303W83Confident88.2Confident106 Ų10656.7 Ų56.740%0.40228%0.282SS..THydrogen-bonded Turntrans-141.9-20.9-170.867.3-86.8000114.8V293 F297 E300 D301 W305 V306 L307V293-W303 HydrophobicContact CG1-CH2 4.23Å; F297-W303 HydrophobicContact CB-CH2 3.67Å; F297-W303 HydrophobicContact CB-CZ2 3.5Å; F297-W303 VanDerWaalsContact CB-CZ2 3.5Å; F297-W303 AromaticContact CD1-CZ2 3.98Å; F297-W303 HydrophobicContact CD1-CZ2 3.98Å; F297-W303 AromaticContact CD2-CH2 3.84Å; F297-W303 HydrophobicContact CD2-CH2 3.84Å; F297-W303 HydrophobicContact CD2-CZ2 4.03Å; F297-W303 AromaticContact CG-CH2 3.79Å; F297-W303 HydrophobicContact CG-CH2 3.79Å; F297-W303 AromaticContact CG-CZ2 3.57Å; F297-W303 HydrophobicContact CG-CZ2 3.57Å; E300-W303 PolarHBondContact O-N 3.05Å; E300-W303 VanDerWaalsContact O-N 3.09Å; D301-W303 PolarHBondContact O-N 2.97Å; W303-W305 PolarHBondContact O-N 3.3Å; W303-W305 VanDerWaalsContact O-N 3.17Å; W303-V306 PolarHBondContact O-N 2.54Å; W303-V306 VanDerWaalsContact O-N 3.12Å; W303-L307 HydrophobicContact CE3-CD1 4.47Å; W303-L307 HydrophobicContact CZ3-CD1 3.72Å; W303-L307 HydrophobicContact CZ3-CG 4.38Å
304A86.3Confident88.3Confident3 Ų354.4 Ų54.43%0.02527%0.268CS..Hα-helixtrans-64.2-21.5-179.500000113F297 E300 V306 L307 Q308F297-A304 VanDerWaalsContact O-CB 3.24Å; F297-A304 WeakPolarHBondContact O-CB 3.48Å; E300-A304 HydrophobicContact CB-CB 4.37Å; E300-A304 VanDerWaalsContact O-CB 3.24Å; E300-A304 WeakPolarHBondContact O-CB 3.34Å; E300-A304 PolarHBondContact O-N 2.82Å; A304-V306 VanDerWaalsContact C-N 3.32Å; A304-V306 PolarHBondContact O-N 3.49Å; A304-L307 PolarHBondContact O-N 3.18Å; A304-Q308 PolarHBondContact O-N 2.98Å
305W87.1Confident88.4Confident65 Ų6555.9 Ų55.925%0.24628%0.275CS..Hα-helixtrans-59.5-37.9172.969.4-89.7000112.7D301 Q302 W303 L307 Q308 D309 K381 P383 F397D301-W305 VanDerWaalsContact O-CD1 3.3Å; Q302-W305 PolarHBondContact O-NE1 3.09Å; W303-W305 PolarHBondContact O-N 3.3Å; W303-W305 VanDerWaalsContact O-N 3.17Å; W305-L307 VanDerWaalsContact C-N 3.31Å; W305-L307 PolarHBondContact O-N 3.34Å; W305-Q308 PolarHBondContact O-N 2.91Å; W305-Q308 VanDerWaalsContact O-N 3.16Å; W305-D309 PolarHBondContact O-N 2.9Å; W305-K381 HydrophobicContact CB-CB 4.05Å; W305-P383 HydrophobicContact CD2-CG 4.27Å; W305-P383 HydrophobicContact CH2-CG 4.05Å; W305-P383 HydrophobicContact CZ2-CG 3.67Å; W305-P383 HydrophobicContact CZ3-CG 4.49Å; W305-F397 HydrophobicContact CB-CE1 3.96Å; W305-F397 HydrophobicContact CB-CZ 4.46Å; W305-F397 HydrophobicContact CG-CE1 4.01Å
306V91Very high88.7Confident69 Ų6953.1 Ų53.142%0.41826%0.261SS..Hα-helixtrans-63.5-40.1178.8-173.90000110.9W303 A304 T310W303-V306 PolarHBondContact O-N 2.54Å; W303-V306 VanDerWaalsContact O-N 3.12Å; A304-V306 VanDerWaalsContact C-N 3.32Å; A304-V306 PolarHBondContact O-N 3.49Å; V306-T310 VanDerWaalsContact O-CB 3.32Å; V306-T310 WeakPolarHBondContact O-CB 3.5Å; V306-T310 PolarHBondContact O-N 3Å; V306-T310 PolarHBondContact O-OG1 3.49Å
307L92.4Very high88.9Confident39 Ų3949.1 Ų49.120%0.20424%0.237CC..Hα-helixtrans-70.6-40.8173.6-71.3-172.2000111.7I290 V293 W294 W303 A304 W305 D309 T310 L311I290-L307 HydrophobicContact CG2-CD2 4.19Å; V293-L307 HydrophobicContact CG1-CD1 3.99Å; W294-L307 HydrophobicContact CB-CB 4.05Å; W294-L307 HydrophobicContact CB-CD1 4.09Å; W294-L307 HydrophobicContact CG-CB 4.19Å; W303-L307 HydrophobicContact CE3-CD1 4.47Å; W303-L307 HydrophobicContact CZ3-CD1 3.72Å; W303-L307 HydrophobicContact CZ3-CG 4.38Å; A304-L307 PolarHBondContact O-N 3.18Å; W305-L307 VanDerWaalsContact C-N 3.31Å; W305-L307 PolarHBondContact O-N 3.34Å; L307-D309 PolarHBondContact O-N 3.36Å; L307-T310 PolarHBondContact O-N 2.91Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 VanDerWaalsContact O-CG 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.21Å; L307-L311 PolarHBondContact O-N 2.93Å
308Q92.6Very high89.1Confident3 Ų347.6 Ų47.61%0.01423%0.228CC..Hα-helixtrans-58.5-49.1176.7-168.6176.6-51.400111W294 A304 W305 L311 G312 V379 K381W294-Q308 HydrophobicContact CZ2-CG 4.18Å; A304-Q308 PolarHBondContact O-N 2.98Å; W305-Q308 PolarHBondContact O-N 2.91Å; W305-Q308 VanDerWaalsContact O-N 3.16Å; Q308-L311 PolarHBondContact O-N 3.31Å; Q308-G312 WeakPolarHBondContact O-CA 3.41Å; Q308-G312 PolarHBondContact O-N 3.01Å; Q308-V379 PolarHBondContact NE2-O 3.14Å; Q308-K381 VanDerWaalsContact OE1-CE 3.27Å
309D94.3Very high89.6Confident6 Ų647.9 Ų47.93%0.03223%0.233CC..Hα-helixtrans-69.7-35.9-178.2-78.928000111.3M164 W305 L307 G312 I313 L380 K381M164-D309 WeakPolarHBondContact CE-OD2 3.44Å; W305-D309 PolarHBondContact O-N 2.9Å; L307-D309 PolarHBondContact O-N 3.36Å; D309-G312 PolarHBondContact O-N 3.41Å; D309-I313 VanDerWaalsContact O-CB 3.31Å; D309-I313 WeakPolarHBondContact O-CB 3.49Å; D309-I313 WeakPolarHBondContact O-CG1 3.48Å; D309-I313 PolarHBondContact O-N 2.94Å; D309-L380 HydrophobicContact CB-CD2 3.89Å; D309-L380 WeakPolarHBondContact OD1-CA 3.39Å; D309-K381 PolarHBondContact OD1-N 3.49Å; D309-K381 PolarHBondContact OD2-N 2.66Å; D309-K381 VanDerWaalsContact OD2-N 3.16Å
310T94.9Very high90.2Very high64 Ų6442.5 Ų42.539%0.39320%0.204SC..Hα-helixtrans-63.8-44.4173.3-59.70000112V306 L307 T314V306-T310 VanDerWaalsContact O-CB 3.32Å; V306-T310 WeakPolarHBondContact O-CB 3.5Å; V306-T310 PolarHBondContact O-N 3Å; V306-T310 PolarHBondContact O-OG1 3.49Å; L307-T310 PolarHBondContact O-N 2.91Å; T310-T314 WeakPolarHBondContact O-CB 3.38Å; T310-T314 WeakPolarHBondContact O-CG2 3.48Å; T310-T314 PolarHBondContact O-N 3.05Å; T310-T314 VanDerWaalsContact O-N 3.09Å; T310-T314 PolarHBondContact O-OG1 3.22Å
311L95.4Very high90.6Very high0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-68.4-37.3176-71.8171.6000111.4F238 S242 L246 I290 W294 L307 Q308 T314 F315F238-L311 HydrophobicContact CE1-CB 4.15Å; F238-L311 HydrophobicContact CZ-CB 3.86Å; S242-L311 WeakPolarHBondContact CB-O 3.47Å; L246-L311 HydrophobicContact CD2-CD2 4.07Å; I290-L311 HydrophobicContact CG2-CD2 4.19Å; W294-L311 HydrophobicContact CB-CD1 3.64Å; W294-L311 HydrophobicContact CD2-CD1 4.08Å; W294-L311 HydrophobicContact CE3-CD1 4.29Å; W294-L311 HydrophobicContact CG-CD1 3.76Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 VanDerWaalsContact O-CG 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.21Å; L307-L311 PolarHBondContact O-N 2.93Å; Q308-L311 PolarHBondContact O-N 3.31Å; L311-T314 PolarHBondContact O-OG1 3.21Å; L311-F315 WeakPolarHBondContact O-CB 3.26Å; L311-F315 PolarHBondContact O-N 2.63Å
312G95.2Very high91.6Very high0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-66.6-47.5177.100000113.1Q308 D309 F315 C316Q308-G312 WeakPolarHBondContact O-CA 3.41Å; Q308-G312 PolarHBondContact O-N 3.01Å; D309-G312 PolarHBondContact O-N 3.41Å; G312-F315 WeakPolarHBondContact O-CB 3.39Å; G312-F315 PolarHBondContact O-N 3.47Å; G312-C316 WeakPolarHBondContact O-CB 3.4Å; G312-C316 PolarHBondContact O-N 2.98Å; G312-C316 PolarHBondContact O-SG 2.82Å
313I96Very high92.2Very high39 Ų3931.8 Ų31.820%0.216%0.156CC..Hα-helixtrans-63.1-45.8175.2-69.5167.5000110.1M164 T168 D309 F315 C316 L317 L380M164-I313 HydrophobicContact SD-CD1 4.22Å; T168-I313 HydrophobicContact CG2-CG2 4.3Å; D309-I313 VanDerWaalsContact O-CB 3.31Å; D309-I313 WeakPolarHBondContact O-CB 3.49Å; D309-I313 WeakPolarHBondContact O-CG1 3.48Å; D309-I313 PolarHBondContact O-N 2.94Å; I313-F315 PolarHBondContact O-N 3.15Å; I313-C316 PolarHBondContact O-N 2.89Å; I313-C316 VanDerWaalsContact O-N 3.16Å; I313-L317 HydrophobicContact CG2-CD1 3.98Å; I313-L317 HydrophobicContact CG2-CG 4.26Å; I313-L317 WeakPolarHBondContact O-CB 3.37Å; I313-L317 VanDerWaalsContact O-CG 3.28Å; I313-L317 WeakPolarHBondContact O-CG 3.42Å; I313-L317 PolarHBondContact O-N 2.83Å; I313-L380 HydrophobicContact CD1-CD2 4.44Å; I313-L380 HydrophobicContact CG1-CD2 4Å
314T95.8Very high92.3Very high15 Ų1529.6 Ų29.69%0.09215%0.148CC..Hα-helixtrans-70.5-31179.953.90000113.3L246 C249 T310 L311 Y318L246-T314 HydrophobicContact CD1-CG2 3.97Å; C249-T314 HydrophobicContact CB-CG2 4.04Å; T310-T314 WeakPolarHBondContact O-CB 3.38Å; T310-T314 WeakPolarHBondContact O-CG2 3.48Å; T310-T314 PolarHBondContact O-N 3.05Å; T310-T314 VanDerWaalsContact O-N 3.09Å; T310-T314 PolarHBondContact O-OG1 3.22Å; L311-T314 PolarHBondContact O-OG1 3.21Å; T314-Y318 VanDerWaalsContact O-CB 3.29Å; T314-Y318 WeakPolarHBondContact O-CB 3.34Å; T314-Y318 PolarHBondContact O-N 2.81Å; T314-Y318 VanDerWaalsContact O-N 3.12Å
315F95.7Very high92.2Very high35 Ų3529.8 Ų29.815%0.15415%0.149CC..Hα-helixtrans-61.9-48.2164.6166.3-109.7000111.7F238 A241 L311 G312 I313 Y318 M319 F402 L406F238-F315 HydrophobicContact CE2-CB 4.36Å; F238-F315 HydrophobicContact CE2-CD1 4.39Å; F238-F315 HydrophobicContact CE2-CG 4.44Å; A241-F315 HydrophobicContact CB-CD2 3.75Å; A241-F315 HydrophobicContact CB-CE2 3.8Å; L311-F315 WeakPolarHBondContact O-CB 3.26Å; L311-F315 PolarHBondContact O-N 2.63Å; G312-F315 WeakPolarHBondContact O-CB 3.39Å; G312-F315 PolarHBondContact O-N 3.47Å; I313-F315 PolarHBondContact O-N 3.15Å; F315-Y318 WeakPolarHBondContact O-CB 3.37Å; F315-Y318 PolarHBondContact O-N 3.37Å; F315-M319 HydrophobicContact CD2-CG 3.91Å; F315-M319 HydrophobicContact CE1-CG 4.37Å; F315-M319 HydrophobicContact CE2-CG 3.47Å; F315-M319 VanDerWaalsContact CE2-CG 3.47Å; F315-M319 HydrophobicContact CE2-SD 3.98Å; F315-M319 HydrophobicContact CZ-CG 3.73Å; F315-M319 HydrophobicContact CZ-SD 4.41Å; F315-M319 WeakPolarHBondContact O-CG 3.48Å; F315-M319 PolarHBondContact O-N 3.07Å; F315-F402 HydrophobicContact CD1-CD2 4.04Å; F315-F402 HydrophobicContact CD1-CE2 4.48Å; F315-F402 HydrophobicContact CE1-CD2 4.15Å; F315-L406 HydrophobicContact CE1-CD1 3.99Å; F315-L406 HydrophobicContact CZ-CD1 4.43Å
316C96.4Very high91.9Very high1 Ų128.8 Ų28.81%0.00715%0.15CC..Hα-helixtrans-63.2-47-179.2-71.20000112.2T168 G312 I313 Y318 M319 L320 I405 L406T168-C316 HydrophobicContact CG2-CB 3.68Å; G312-C316 WeakPolarHBondContact O-CB 3.4Å; G312-C316 PolarHBondContact O-N 2.98Å; G312-C316 PolarHBondContact O-SG 2.82Å; I313-C316 PolarHBondContact O-N 2.89Å; I313-C316 VanDerWaalsContact O-N 3.16Å; C316-Y318 PolarHBondContact O-N 3.16Å; C316-M319 PolarHBondContact O-N 2.75Å; C316-L320 WeakPolarHBondContact O-CB 3.39Å; C316-L320 WeakPolarHBondContact O-CG 3.48Å; C316-L320 PolarHBondContact O-N 2.81Å; C316-I405 HydrophobicContact CB-CG2 4.4Å; C316-L406 HydrophobicContact CB-CD2 4.18Å
317L95.3Very high91.8Very high19 Ų1927.2 Ų27.210%0.09914%0.141CC..Hα-helixtrans-58.9-35.4174.3-69.7177.1000112.3T168 V171 G172 I313 K321T168-L317 HydrophobicContact CG2-CD2 4.27Å; T168-L317 HydrophobicContact CG2-CG 4.37Å; T168-L317 WeakPolarHBondContact O-CD2 3.35Å; V171-L317 HydrophobicContact CB-CD2 4Å; V171-L317 HydrophobicContact CG1-CD2 3.86Å; G172-L317 VanDerWaalsContact N-CD2 3.32Å; I313-L317 HydrophobicContact CG2-CD1 3.98Å; I313-L317 HydrophobicContact CG2-CG 4.26Å; I313-L317 WeakPolarHBondContact O-CB 3.37Å; I313-L317 VanDerWaalsContact O-CG 3.28Å; I313-L317 WeakPolarHBondContact O-CG 3.42Å; I313-L317 PolarHBondContact O-N 2.83Å; L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 PolarHBondContact O-N 3.09Å
318Y93.7Very high91.8Very high61 Ų6125.4 Ų25.424%0.23913%0.131CC..Hα-helixtrans-70.7-47.1175.8175.4-108000112.4V244 G245 T314 F315 C316 K321 T322V244-Y318 HydrophobicContact CG1-CE1 3.95Å; V244-Y318 HydrophobicContact CG1-CE2 3.93Å; G245-Y318 VanDerWaalsContact CA-CB 3.49Å; T314-Y318 VanDerWaalsContact O-CB 3.29Å; T314-Y318 WeakPolarHBondContact O-CB 3.34Å; T314-Y318 PolarHBondContact O-N 2.81Å; T314-Y318 VanDerWaalsContact O-N 3.12Å; F315-Y318 WeakPolarHBondContact O-CB 3.37Å; F315-Y318 PolarHBondContact O-N 3.37Å; C316-Y318 PolarHBondContact O-N 3.16Å; Y318-K321 CarbonylContact O-C 3.57Å; Y318-K321 WeakPolarHBondContact O-CA 3.19Å; Y318-K321 WeakPolarHBondContact O-CB 3.31Å; Y318-K321 PolarHBondContact O-N 2.89Å; Y318-K321 VanDerWaalsContact O-N 3.11Å; Y318-T322 HydrophobicContact CD2-CG2 3.93Å; Y318-T322 HydrophobicContact CE1-CG2 4.29Å; Y318-T322 HydrophobicContact CE2-CG2 3.5Å; Y318-T322 HydrophobicContact CG-CG2 4.49Å; Y318-T322 WeakPolarHBondContact O-CG2 3.48Å; Y318-T322 PolarHBondContact O-N 2.87Å; Y318-T322 PolarHBondContact O-OG1 3.4Å
319M93.3Very high91.7Very high60 Ų6030.1 Ų30.130%0.29615%0.152SC..Hα-helixtrans-62.3-45.6178.4-73.1-66.1-7300112.2F315 C316 K321 T322 V323 L406F315-M319 HydrophobicContact CD2-CG 3.91Å; F315-M319 HydrophobicContact CE1-CG 4.37Å; F315-M319 HydrophobicContact CE2-CG 3.47Å; F315-M319 VanDerWaalsContact CE2-CG 3.47Å; F315-M319 HydrophobicContact CE2-SD 3.98Å; F315-M319 HydrophobicContact CZ-CG 3.73Å; F315-M319 HydrophobicContact CZ-SD 4.41Å; F315-M319 WeakPolarHBondContact O-CG 3.48Å; F315-M319 PolarHBondContact O-N 3.07Å; C316-M319 PolarHBondContact O-N 2.75Å; M319-K321 PolarHBondContact O-N 3.35Å; M319-T322 PolarHBondContact O-N 3.25Å; M319-T322 PolarHBondContact O-OG1 3.36Å; M319-V323 HydrophobicContact CE-CG2 3.88Å; M319-V323 WeakPolarHBondContact O-CB 3.5Å; M319-V323 PolarHBondContact O-N 3.25Å; M319-V323 HydrophobicContact SD-CG2 4.43Å; M319-L406 HydrophobicContact CB-CD1 4.49Å; M319-L406 HydrophobicContact CB-CD2 3.61Å
320L93.2Very high91.5Very high1 Ų130 Ų301%0.00515%0.151CC..Hα-helixtrans-61.6-25174.4-68.3177.8000113A176 C316 L406 L410A176-L320 VanDerWaalsContact CB-O 3.29Å; A176-L320 WeakPolarHBondContact CB-O 3.29Å; C316-L320 WeakPolarHBondContact O-CB 3.39Å; C316-L320 WeakPolarHBondContact O-CG 3.48Å; C316-L320 PolarHBondContact O-N 2.81Å; L320-L406 HydrophobicContact CD2-CD2 4.12Å; L320-L406 HydrophobicContact CG-CD2 3.97Å; L320-L410 HydrophobicContact CD2-CD2 4.01Å; L320-L410 HydrophobicContact CD2-CG 4.05Å
321K89Confident91.4Very high25 Ų2526.9 Ų26.911%0.10913%0.132CC..Hα-helixtrans-87.1-23.3179.2169-173.6174.8-173.60113.3W175 R179 S248 L317 Y318 M319W175-K321 HydrophobicContact CD2-CD 4.19Å; R179-K321 PolarHBondContact NH1-O 2.86Å; S248-K321 PolarHBondContact O-NZ 3.17Å; S248-K321 VanDerWaalsContact O-NZ 3.08Å; S248-K321 PolarHBondContact OG-NZ 3.13Å; L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 PolarHBondContact O-N 3.09Å; Y318-K321 CarbonylContact O-C 3.57Å; Y318-K321 WeakPolarHBondContact O-CA 3.19Å; Y318-K321 WeakPolarHBondContact O-CB 3.31Å; Y318-K321 PolarHBondContact O-N 2.89Å; Y318-K321 VanDerWaalsContact O-N 3.11Å; M319-K321 PolarHBondContact O-N 3.35Å
322T87.9Confident91.3Very high24 Ų2428.1 Ų28.115%0.14714%0.14CC..Hα-helixtrans-107.6-42.8-174.152.90000114.3V202 Y318 M319V202-T322 PolarHBondContact N-O 2.88Å; Y318-T322 HydrophobicContact CD2-CG2 3.93Å; Y318-T322 HydrophobicContact CE1-CG2 4.29Å; Y318-T322 HydrophobicContact CE2-CG2 3.5Å; Y318-T322 HydrophobicContact CG-CG2 4.49Å; Y318-T322 WeakPolarHBondContact O-CG2 3.48Å; Y318-T322 PolarHBondContact O-N 2.87Å; Y318-T322 PolarHBondContact O-OG1 3.4Å; M319-T322 PolarHBondContact O-N 3.25Å; M319-T322 PolarHBondContact O-OG1 3.36Å
323V88.4Confident91.2Very high33 Ų3331.1 Ų31.120%0.216%0.155CC..EExtended strand (participates in β ladder)trans-74124.3175.9179.50000108.2V204 M319 L410V204-V323 HydrophobicContact CG2-CG1 3.69Å; M319-V323 HydrophobicContact CE-CG2 3.88Å; M319-V323 WeakPolarHBondContact O-CB 3.5Å; M319-V323 PolarHBondContact O-N 3.25Å; M319-V323 HydrophobicContact SD-CG2 4.43Å; V323-L410 HydrophobicContact CB-CD2 3.9Å; V323-L410 HydrophobicContact CG1-CD1 4.11Å; V323-L410 HydrophobicContact CG1-CD2 3.89Å
324R84.3Confident91Very high59 Ų5929.8 Ų29.822%0.22315%0.149CC..EExtended strand (participates in β ladder)trans-121.5117.8-175.5-160.5169.879.2161.3-4.5111D180 V202 D203 V204 P326 R417D180-R324 IonicContact OD1-NH1 2.72Å; D180-R324 IonicContact OD2-CZ 3.55Å; D180-R324 IonicContact OD2-NH1 3.32Å; D180-R324 PolarHBondContact OD2-NH1 3.08Å; V202-R324 PolarHBondContact O-N 3.42Å; D203-R324 WeakPolarHBondContact CA-O 3.44Å; D203-R324 IonicContact OD1-CZ 3.04Å; D203-R324 IonicContact OD1-NE 3.84Å; D203-R324 PolarHBondContact OD1-NE 2.94Å; D203-R324 IonicContact OD1-NH2 2.66Å; D203-R324 PolarHBondContact OD1-NH2 2.72Å; D203-R324 IonicContact OD2-CZ 3.47Å; D203-R324 IonicContact OD2-NE 2.75Å; D203-R324 IonicContact OD2-NH2 3.54Å; D203-R324 PolarHBondContact OD2-NH2 2.94Å; V204-R324 PolarHBondContact N-O 3.09Å; R324-P326 WeakPolarHBondContact O-CD 3.48Å; R324-R417 VanDerWaalsContact CZ-NH2 3.32Å
325L85.1Confident90.9Very high8 Ų829.1 Ų29.14%0.04215%0.145CC..  trans-80.6123.4168.4-56.5-173.2000108.2V204 C331 L334 L410 Y414 R417V204-L325 HydrophobicContact CB-CD2 3.69Å; V204-L325 HydrophobicContact CG1-CD2 4.08Å; V204-L325 HydrophobicContact CG2-CD2 3.73Å; L325-C331 HydrophobicContact CD1-CB 4.05Å; L325-C331 WeakPolarHBondContact CD1-SG 3.4Å; L325-L334 HydrophobicContact CD1-CD2 4.33Å; L325-L334 HydrophobicContact CD2-CD2 4.19Å; L325-L410 HydrophobicContact CD1-CB 3.72Å; L325-L410 HydrophobicContact CG-CB 4.18Å; L325-Y414 WeakPolarHBondContact O-CD2 3.33Å; L325-R417 PolarHBondContact O-NH1 3.42Å
326P81Confident90.8Very high43 Ų4330.3 Ų30.328%0.27916%0.157SC..  trans-84.3-22.4-176.231.2-34.4000113.5V204 R324V204-P326 VanDerWaalsContact O-CD 3.27Å; V204-P326 WeakPolarHBondContact O-CD 3.42Å; V204-P326 WeakPolarHBondContact O-CG 3.48Å; R324-P326 WeakPolarHBondContact O-CD 3.48Å
327T88.6Confident90.6Very high36 Ų3632.7 Ų32.722%0.22117%0.172CC..SBendtrans-146153.2-173.666.30000111.2K329 A330 C331 T483T327-K329 VanDerWaalsContact C-N 3.26Å; T327-K329 PolarHBondContact O-N 3.3Å; T327-A330 WeakPolarHBondContact O-CB 3.3Å; T327-A330 PolarHBondContact O-N 2.66Å; T327-A330 VanDerWaalsContact O-N 3.11Å; T327-A330 PolarHBondContact OG1-N 2.75Å; T327-C331 PolarHBondContact O-N 2.84Å; T327-C331 PolarHBondContact O-SG 2.99Å; T327-T483 WeakPolarHBondContact CG2-O 3.17Å
328F91.6Very high90.4Very high2 Ų232.3 Ų32.31%0.00917%0.17CC..Hα-helixtrans-65-31.3173.6-174.9-112.4000111.8A330 C331 T332 L411 Y414 L465 S468 L469 F481 W482F328-A330 VanDerWaalsContact C-N 3.27Å; F328-A330 PolarHBondContact O-N 3.38Å; F328-C331 HydrophobicContact CD2-CB 4.16Å; F328-C331 CarbonylContact O-C 3.57Å; F328-C331 WeakPolarHBondContact O-CA 3.34Å; F328-C331 VanDerWaalsContact O-CB 3.3Å; F328-C331 WeakPolarHBondContact O-CB 3.28Å; F328-C331 PolarHBondContact O-N 3.4Å; F328-T332 HydrophobicContact CD1-CG2 3.9Å; F328-T332 HydrophobicContact CE1-CG2 3.5Å; F328-T332 HydrophobicContact CE2-CG2 4.24Å; F328-T332 HydrophobicContact CG-CG2 4.44Å; F328-T332 HydrophobicContact CZ-CG2 3.7Å; F328-T332 PolarHBondContact O-N 3.39Å; F328-T332 PolarHBondContact O-OG1 3.09Å; F328-T332 VanDerWaalsContact O-OG1 3.09Å; F328-L411 HydrophobicContact CD2-CD1 3.74Å; F328-L411 HydrophobicContact CE2-CD1 3.63Å; F328-Y414 HydrophobicContact CB-CD1 4.46Å; F328-Y414 HydrophobicContact CB-CE1 3.67Å; F328-Y414 HydrophobicContact CD2-CD1 4.44Å; F328-Y414 HydrophobicContact CD2-CE1 4.31Å; F328-Y414 HydrophobicContact CG-CE1 4.45Å; F328-Y414 VanDerWaalsContact N-CZ 3.27Å; F328-Y414 PolarHBondContact N-OH 3.19Å; F328-Y414 VanDerWaalsContact N-OH 3.14Å; F328-L465 HydrophobicContact CE2-CD2 3.89Å; F328-L465 HydrophobicContact CZ-CD2 3.9Å; F328-S468 WeakPolarHBondContact CE2-OG 3.22Å; F328-L469 HydrophobicContact CE1-CD1 4.38Å; F328-F481 HydrophobicContact CB-CD1 4.19Å; F328-F481 HydrophobicContact CB-CE1 4.19Å; F328-F481 WeakPolarHBondContact CB-O 3.3Å; F328-F481 AromaticContact CD1-CD1 3.94Å; F328-F481 HydrophobicContact CD1-CD1 3.94Å; F328-F481 AromaticContact CD1-CE1 3.85Å; F328-F481 HydrophobicContact CD1-CE1 3.85Å; F328-F481 HydrophobicContact CD2-CD1 4.15Å; F328-F481 AromaticContact CD2-CE1 3.35Å; F328-F481 HydrophobicContact CD2-CE1 3.35Å; F328-F481 AromaticContact CD2-CZ 3.7Å; F328-F481 HydrophobicContact CD2-CZ 3.7Å; F328-F481 HydrophobicContact CE1-CD1 4.3Å; F328-F481 AromaticContact CE1-CE1 3.98Å; F328-F481 HydrophobicContact CE1-CE1 3.98Å; F328-F481 AromaticContact CE2-CE1 3.51Å; F328-F481 HydrophobicContact CE2-CE1 3.51Å; F328-F481 AromaticContact CE2-CZ 3.99Å; F328-F481 HydrophobicContact CE2-CZ 3.99Å; F328-F481 AromaticContact CG-CD1 3.84Å; F328-F481 HydrophobicContact CG-CD1 3.84Å; F328-F481 AromaticContact CG-CE1 3.53Å; F328-F481 HydrophobicContact CG-CE1 3.53Å; F328-F481 HydrophobicContact CG-CZ 4.18Å; F328-F481 AromaticContact CZ-CE1 3.81Å; F328-F481 HydrophobicContact CZ-CE1 3.81Å; F328-W482 AromaticContact CD1-CE3 3.55Å; F328-W482 HydrophobicContact CD1-CE3 3.55Å; F328-W482 AromaticContact CD1-CZ3 3.84Å; F328-W482 HydrophobicContact CD1-CZ3 3.84Å; F328-W482 AromaticContact CE1-CE3 3.92Å; F328-W482 HydrophobicContact CE1-CE3 3.92Å; F328-W482 AromaticContact CE1-CZ3 3.87Å; F328-W482 HydrophobicContact CE1-CZ3 3.87Å
329K90.6Very high90.4Very high102 Ų10232.4 Ų32.444%0.44317%0.172SC..Hα-helixtrans-49.2-46167.6-74.8174.2-176.1-175.80112.8T327 T332 L333 W482T327-K329 VanDerWaalsContact C-N 3.26Å; T327-K329 PolarHBondContact O-N 3.3Å; K329-T332 WeakPolarHBondContact CA-OG1 3.44Å; K329-T332 PolarHBondContact O-OG1 3.02Å; K329-L333 WeakPolarHBondContact O-CB 3.31Å; K329-L333 PolarHBondContact O-N 3.36Å; K329-W482 VanDerWaalsContact CE-CD1 3.45Å; K329-W482 VanDerWaalsContact CE-NE1 3.29Å; K329-W482 HydrophobicContact CG-CD2 4.17Å; K329-W482 HydrophobicContact CG-CG 4.31Å; K329-W482 HydrophobicContact CG-CZ2 4.09Å; K329-W482 WeakPolarHBondContact CG-O 3.33Å; K329-W482 PolarHBondContact N-O 3.48Å
330A89.8Confident90.3Very high2 Ų234 Ų342%0.01718%0.184CC..Hα-helixtrans-68.2-37.9178.100000111.6I209 T327 F328 L333 L334I209-A330 HydrophobicContact CD1-CB 4.16Å; I209-A330 WeakPolarHBondContact CD1-O 3.32Å; T327-A330 WeakPolarHBondContact O-CB 3.3Å; T327-A330 PolarHBondContact O-N 2.66Å; T327-A330 VanDerWaalsContact O-N 3.11Å; T327-A330 PolarHBondContact OG1-N 2.75Å; F328-A330 VanDerWaalsContact C-N 3.27Å; F328-A330 PolarHBondContact O-N 3.38Å; A330-L333 PolarHBondContact O-N 3.06Å; A330-L334 WeakPolarHBondContact O-CB 3.44Å; A330-L334 PolarHBondContact O-N 2.59Å
331C92.5Very high90.1Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-60.2-53.5173.1-51.10000111.2L325 T327 F328 L333 L334 L335 L411L325-C331 HydrophobicContact CD1-CB 4.05Å; L325-C331 WeakPolarHBondContact CD1-SG 3.4Å; T327-C331 PolarHBondContact O-N 2.84Å; T327-C331 PolarHBondContact O-SG 2.99Å; F328-C331 HydrophobicContact CD2-CB 4.16Å; F328-C331 CarbonylContact O-C 3.57Å; F328-C331 WeakPolarHBondContact O-CA 3.34Å; F328-C331 VanDerWaalsContact O-CB 3.3Å; F328-C331 WeakPolarHBondContact O-CB 3.28Å; F328-C331 PolarHBondContact O-N 3.4Å; C331-L333 VanDerWaalsContact C-N 3.32Å; C331-L333 PolarHBondContact O-N 3.46Å; C331-L334 PolarHBondContact O-N 3.35Å; C331-L335 HydrophobicContact CB-CD1 4.49Å; C331-L335 VanDerWaalsContact O-CB 3.28Å; C331-L335 WeakPolarHBondContact O-CB 3.25Å; C331-L335 WeakPolarHBondContact O-CD1 3.21Å; C331-L335 WeakPolarHBondContact O-CG 3.37Å; C331-L335 PolarHBondContact O-N 2.77Å; C331-L411 HydrophobicContact CB-CD1 3.97Å
332T93.3Very high90.1Very high25 Ų2534.8 Ų34.815%0.15319%0.187CC..Hα-helixtrans-60.1-39.6178.747.20000112.4F328 K329 S336 L465 W482F328-T332 HydrophobicContact CD1-CG2 3.9Å; F328-T332 HydrophobicContact CE1-CG2 3.5Å; F328-T332 HydrophobicContact CE2-CG2 4.24Å; F328-T332 HydrophobicContact CG-CG2 4.44Å; F328-T332 HydrophobicContact CZ-CG2 3.7Å; F328-T332 PolarHBondContact O-N 3.39Å; F328-T332 PolarHBondContact O-OG1 3.09Å; F328-T332 VanDerWaalsContact O-OG1 3.09Å; K329-T332 WeakPolarHBondContact CA-OG1 3.44Å; K329-T332 PolarHBondContact O-OG1 3.02Å; T332-S336 WeakPolarHBondContact O-CB 3.32Å; T332-S336 PolarHBondContact O-N 3.47Å; T332-S336 PolarHBondContact O-OG 3.04Å; T332-L465 HydrophobicContact CG2-CD2 3.72Å; T332-W482 HydrophobicContact CG2-CH2 4.45Å; T332-W482 HydrophobicContact CG2-CZ3 4.07Å
333L92.9Very high90.2Very high63 Ų6335.5 Ų35.533%0.3319%0.191SC..Hα-helixtrans-66.7-49.5178.7-177.665.1000111.2P206 I209 K329 A330 C331 V337P206-L333 HydrophobicContact CB-CD2 3.83Å; I209-L333 HydrophobicContact CD1-CB 4.38Å; I209-L333 HydrophobicContact CD1-CD2 4.21Å; I209-L333 HydrophobicContact CD1-CG 4.47Å; I209-L333 HydrophobicContact CG2-CD2 4.49Å; I209-L333 HydrophobicContact CG2-CG 4.3Å; K329-L333 WeakPolarHBondContact O-CB 3.31Å; K329-L333 PolarHBondContact O-N 3.36Å; A330-L333 PolarHBondContact O-N 3.06Å; C331-L333 VanDerWaalsContact C-N 3.32Å; C331-L333 PolarHBondContact O-N 3.46Å; L333-V337 HydrophobicContact CD1-CG2 4.15Å; L333-V337 WeakPolarHBondContact O-CB 3.32Å; L333-V337 VanDerWaalsContact O-CG2 3.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.3Å; L333-V337 PolarHBondContact O-N 3.42Å
334L92.2Very high90.2Very high11 Ų1138 Ų386%0.05820%0.199CC..Hα-helixtrans-59.4-48.9178.8179.162.7000111.4I209 F212 L325 A330 C331 L338 L410I209-L334 HydrophobicContact CD1-CB 3.98Å; I209-L334 HydrophobicContact CG1-CB 4.27Å; I209-L334 HydrophobicContact CG1-CD1 4.32Å; I209-L334 HydrophobicContact CG2-CB 4.21Å; I209-L334 HydrophobicContact CG2-CD1 3.95Å; F212-L334 HydrophobicContact CD1-CD1 4.28Å; F212-L334 HydrophobicContact CE1-CD1 4.46Å; L325-L334 HydrophobicContact CD1-CD2 4.33Å; L325-L334 HydrophobicContact CD2-CD2 4.19Å; A330-L334 WeakPolarHBondContact O-CB 3.44Å; A330-L334 PolarHBondContact O-N 2.59Å; C331-L334 PolarHBondContact O-N 3.35Å; L334-L338 HydrophobicContact CD1-CD1 3.59Å; L334-L338 HydrophobicContact CD1-CG 4.24Å; L334-L338 HydrophobicContact CG-CD1 3.94Å; L334-L338 WeakPolarHBondContact O-CB 3.45Å; L334-L338 WeakPolarHBondContact O-CG 3.15Å; L334-L338 PolarHBondContact O-N 2.87Å; L334-L410 HydrophobicContact CD2-CD1 4.22Å
335L93.5Very high90.3Very high2 Ų235.6 Ų35.61%0.0119%0.191CC..Hα-helixtrans-67.2-44-177.6-76.2161.4000112.5C331 L338 F339 V407 L411 V461 L465C331-L335 HydrophobicContact CB-CD1 4.49Å; C331-L335 VanDerWaalsContact O-CB 3.28Å; C331-L335 WeakPolarHBondContact O-CB 3.25Å; C331-L335 WeakPolarHBondContact O-CD1 3.21Å; C331-L335 WeakPolarHBondContact O-CG 3.37Å; C331-L335 PolarHBondContact O-N 2.77Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-F339 VanDerWaalsContact O-CB 3.29Å; L335-F339 WeakPolarHBondContact O-CB 3.3Å; L335-F339 PolarHBondContact O-N 3.3Å; L335-V407 HydrophobicContact CD2-CG1 3.57Å; L335-V407 HydrophobicContact CG-CG1 4.5Å; L335-L411 HydrophobicContact CD1-CB 3.84Å; L335-L411 HydrophobicContact CD1-CD2 3.64Å; L335-L411 HydrophobicContact CD1-CG 4.31Å; L335-V461 HydrophobicContact CB-CG1 3.96Å; L335-V461 HydrophobicContact CB-CG2 4.41Å; L335-V461 HydrophobicContact CD2-CG2 3.85Å; L335-L465 HydrophobicContact CB-CD1 3.96Å; L335-L465 HydrophobicContact CB-CG 4.41Å; L335-L465 HydrophobicContact CD1-CD1 4.44Å; L335-L465 HydrophobicContact CD1-CD2 3.72Å; L335-L465 HydrophobicContact CD1-CG 4Å
336S93.4Very high90.3Very high59 Ų5935.8 Ų35.841%0.41319%0.192SC..Hα-helixtrans-67.8-36.3178.2-66.20000112.8T332 V340T332-S336 WeakPolarHBondContact O-CB 3.32Å; T332-S336 PolarHBondContact O-N 3.47Å; T332-S336 PolarHBondContact O-OG 3.04Å; S336-V340 WeakPolarHBondContact O-CG2 3.45Å; S336-V340 PolarHBondContact O-N 3.06Å
337V93Very high90.4Very high52 Ų5237.4 Ų37.432%0.31520%0.195SC..Hα-helixtrans-71.3-40.2176.2176.10000110.8V213 L333 V340 Y341V213-V337 HydrophobicContact CB-CG1 4.14Å; V213-V337 HydrophobicContact CG1-CG1 3.74Å; V213-V337 HydrophobicContact CG2-CG1 3.77Å; L333-V337 HydrophobicContact CD1-CG2 4.15Å; L333-V337 WeakPolarHBondContact O-CB 3.32Å; L333-V337 VanDerWaalsContact O-CG2 3.24Å; L333-V337 WeakPolarHBondContact O-CG2 3.3Å; L333-V337 PolarHBondContact O-N 3.42Å; V337-V340 PolarHBondContact O-N 3.11Å; V337-Y341 PolarHBondContact O-N 2.62Å
338L91.7Very high90.3Very high10 Ų1039.1 Ų39.15%0.05220%0.202CC..Hα-helixtrans-70.9-29176.7-71.1173000113.3F212 V213 L334 L335 Y341 D342 V407 L457F212-L338 HydrophobicContact CE1-CD1 4.48Å; V213-L338 HydrophobicContact CG2-CD2 3.97Å; V213-L338 HydrophobicContact CG2-CG 4.31Å; L334-L338 HydrophobicContact CD1-CD1 3.59Å; L334-L338 HydrophobicContact CD1-CG 4.24Å; L334-L338 HydrophobicContact CG-CD1 3.94Å; L334-L338 WeakPolarHBondContact O-CB 3.45Å; L334-L338 WeakPolarHBondContact O-CG 3.15Å; L334-L338 PolarHBondContact O-N 2.87Å; L335-L338 PolarHBondContact O-N 2.93Å; L338-Y341 HydrophobicContact CD2-CG 4.48Å; L338-Y341 WeakPolarHBondContact O-CB 3.48Å; L338-Y341 PolarHBondContact O-N 3.36Å; L338-D342 WeakPolarHBondContact O-CB 3.26Å; L338-D342 PolarHBondContact O-N 3.29Å; L338-V407 HydrophobicContact CB-CG1 4.36Å; L338-V407 HydrophobicContact CD1-CB 4.27Å; L338-V407 HydrophobicContact CD1-CG1 3.59Å; L338-V407 HydrophobicContact CD1-CG2 3.63Å; L338-L457 HydrophobicContact CB-CD1 3.94Å
339F92.4Very high89.9Confident64 Ų6439.2 Ų39.228%0.28120%0.203SC..Hα-helixtrans-60.2-46.3167.3170.3-83.4000111.9L335 D342 V343 L458 V461L335-F339 VanDerWaalsContact O-CB 3.29Å; L335-F339 WeakPolarHBondContact O-CB 3.3Å; L335-F339 PolarHBondContact O-N 3.3Å; F339-D342 PolarHBondContact O-N 2.89Å; F339-V343 HydrophobicContact CE1-CG2 4.46Å; F339-V343 WeakPolarHBondContact O-CG2 3.38Å; F339-V343 PolarHBondContact O-N 2.8Å; F339-V343 VanDerWaalsContact O-N 3.12Å; F339-L458 HydrophobicContact CE2-CD1 3.68Å; F339-L458 HydrophobicContact CZ-CD1 3.8Å; F339-V461 HydrophobicContact CB-CB 4.4Å; F339-V461 HydrophobicContact CB-CG1 4.24Å; F339-V461 HydrophobicContact CB-CG2 4.29Å; F339-V461 HydrophobicContact CD2-CB 4.17Å; F339-V461 HydrophobicContact CD2-CG1 4.38Å
340V91.8Very high89.5Confident92 Ų9235.3 Ų35.356%0.55819%0.188SC*.Hα-helixtrans-67.2-38.1177.4173.90000111.3S336 V337 F344S336-V340 WeakPolarHBondContact O-CG2 3.45Å; S336-V340 PolarHBondContact O-N 3.06Å; V337-V340 PolarHBondContact O-N 3.11Å; V340-F344 VanDerWaalsContact O-CB 3.28Å; V340-F344 WeakPolarHBondContact O-CB 3.33Å; V340-F344 PolarHBondContact O-N 2.64Å
341Y89.4Confident89.1Confident41 Ų4142.4 Ų42.416%0.16122%0.22CC..Hα-helixtrans-57.6-50173.1169-83.9000112.1C216 C217 L220 V337 L338 F344 F345C216-Y341 HydrophobicContact CB-CE2 4.32Å; C217-Y341 VanDerWaalsContact SG-CD2 3.58Å; L220-Y341 VanDerWaalsContact CD1-OH 3.23Å; L220-Y341 WeakPolarHBondContact CD1-OH 3.21Å; V337-Y341 PolarHBondContact O-N 2.62Å; L338-Y341 HydrophobicContact CD2-CG 4.48Å; L338-Y341 WeakPolarHBondContact O-CB 3.48Å; L338-Y341 PolarHBondContact O-N 3.36Å; Y341-F344 PolarHBondContact O-N 3.07Å; Y341-F345 HydrophobicContact CD1-CD2 4.3Å; Y341-F345 AromaticContact CD2-CD2 3.59Å; Y341-F345 HydrophobicContact CD2-CD2 3.59Å; Y341-F345 AromaticContact CD2-CE2 3.6Å; Y341-F345 HydrophobicContact CD2-CE2 3.6Å; Y341-F345 HydrophobicContact CE1-CD2 4.21Å; Y341-F345 AromaticContact CE2-CD2 3.51Å; Y341-F345 HydrophobicContact CE2-CD2 3.51Å; Y341-F345 AromaticContact CE2-CE2 3.42Å; Y341-F345 HydrophobicContact CE2-CE2 3.42Å; Y341-F345 VanDerWaalsContact CE2-CE2 3.42Å; Y341-F345 HydrophobicContact CE2-CZ 4.46Å; Y341-F345 AromaticContact CG-CD2 4Å; Y341-F345 HydrophobicContact CG-CD2 4Å; Y341-F345 HydrophobicContact CG-CE2 4.44Å; Y341-F345 AromaticContact CZ-CD2 3.83Å; Y341-F345 WeakPolarHBondContact O-CD2 3.18Å; Y341-F345 PolarHBondContact O-N 2.83Å
342D89.4Confident88.5Confident3 Ų350.1 Ų50.12%0.01625%0.254CS..Hα-helixtrans-64.4-45.8-177.4-164.421.7000110.8L338 F339 F344 F345 V346 P455 A456 L457L338-D342 WeakPolarHBondContact O-CB 3.26Å; L338-D342 PolarHBondContact O-N 3.29Å; F339-D342 PolarHBondContact O-N 2.89Å; D342-F344 PolarHBondContact O-N 2.93Å; D342-F345 PolarHBondContact O-N 3.37Å; D342-V346 WeakPolarHBondContact O-CB 3.43Å; D342-V346 WeakPolarHBondContact O-CG2 3.33Å; D342-V346 PolarHBondContact O-N 2.94Å; D342-P455 HydrophobicContact CB-CB 4.06Å; D342-P455 WeakPolarHBondContact OD1-CB 3.44Å; D342-P455 VanDerWaalsContact OD2-CA 3.27Å; D342-P455 WeakPolarHBondContact OD2-CA 3.44Å; D342-P455 WeakPolarHBondContact OD2-CB 3.49Å; D342-A456 PolarHBondContact OD2-N 2.99Å; D342-A456 VanDerWaalsContact OD2-N 3.11Å; D342-L457 HydrophobicContact CB-CB 4.14Å; D342-L457 HydrophobicContact CB-CD1 4.32Å; D342-L457 VanDerWaalsContact OD2-CB 3.26Å; D342-L457 WeakPolarHBondContact OD2-CB 3.49Å; D342-L457 PolarHBondContact OD2-N 3.19Å
343V89.1Confident87.5Confident39 Ų3949.6 Ų49.624%0.23625%0.251CS..Hα-helixtrans-59.4-41.7173.1168.40000112.3F339 F347 L458F339-V343 HydrophobicContact CE1-CG2 4.46Å; F339-V343 WeakPolarHBondContact O-CG2 3.38Å; F339-V343 PolarHBondContact O-N 2.8Å; F339-V343 VanDerWaalsContact O-N 3.12Å; V343-F347 HydrophobicContact CG1-CD2 4.37Å; V343-F347 WeakPolarHBondContact O-CB 3.03Å; V343-F347 PolarHBondContact O-N 3.47Å; V343-L458 HydrophobicContact CG2-CD1 4.14Å
344F89.2Confident86.2Confident84 Ų8456.5 Ų56.537%0.36828%0.278SS..Iπ-helixtrans-67.3-51.4177.6177.4-88.8000111.7V340 Y341 D342 V346 I348 T349V340-F344 VanDerWaalsContact O-CB 3.28Å; V340-F344 WeakPolarHBondContact O-CB 3.33Å; V340-F344 PolarHBondContact O-N 2.64Å; Y341-F344 PolarHBondContact O-N 3.07Å; D342-F344 PolarHBondContact O-N 2.93Å; F344-V346 PolarHBondContact O-N 2.96Å; F344-I348 HydrophobicContact CB-CD1 4.46Å; F344-I348 HydrophobicContact CD2-CB 3.88Å; F344-I348 HydrophobicContact CD2-CD1 3.89Å; F344-I348 HydrophobicContact CD2-CG1 4.44Å; F344-I348 HydrophobicContact CD2-CG2 3.79Å; F344-I348 HydrophobicContact CE2-CB 4.25Å; F344-I348 HydrophobicContact CE2-CG2 3.69Å; F344-I348 HydrophobicContact CG-CB 4.33Å; F344-I348 HydrophobicContact CZ-CG2 4.48Å; F344-I348 WeakPolarHBondContact O-CA 3.41Å; F344-I348 WeakPolarHBondContact O-CB 3.36Å; F344-I348 PolarHBondContact O-N 3.31Å; F344-T349 HydrophobicContact CD1-CG2 4.26Å; F344-T349 HydrophobicContact CE1-CG2 3.94Å; F344-T349 PolarHBondContact O-N 2.7Å; F344-T349 VanDerWaalsContact O-N 3.12Å
345F86.7Confident84.8Confident10 Ų1061.1 Ų61.14%0.04430%0.303CS..Iπ-helixtrans-70.6-28.9-174.9-84.8-73.3000113.4C217 L220 V221 Y341 D342 T349 M360C217-F345 HydrophobicContact CB-CE2 4.42Å; C217-F345 HydrophobicContact CB-CZ 4.45Å; L220-F345 HydrophobicContact CD1-CD1 4.41Å; L220-F345 HydrophobicContact CD2-CD1 3.73Å; L220-F345 HydrophobicContact CD2-CE1 3.7Å; V221-F345 HydrophobicContact CG2-CE1 4.04Å; V221-F345 HydrophobicContact CG2-CZ 4.16Å; Y341-F345 HydrophobicContact CD1-CD2 4.3Å; Y341-F345 AromaticContact CD2-CD2 3.59Å; Y341-F345 HydrophobicContact CD2-CD2 3.59Å; Y341-F345 AromaticContact CD2-CE2 3.6Å; Y341-F345 HydrophobicContact CD2-CE2 3.6Å; Y341-F345 HydrophobicContact CE1-CD2 4.21Å; Y341-F345 AromaticContact CE2-CD2 3.51Å; Y341-F345 HydrophobicContact CE2-CD2 3.51Å; Y341-F345 AromaticContact CE2-CE2 3.42Å; Y341-F345 HydrophobicContact CE2-CE2 3.42Å; Y341-F345 VanDerWaalsContact CE2-CE2 3.42Å; Y341-F345 HydrophobicContact CE2-CZ 4.46Å; Y341-F345 AromaticContact CG-CD2 4Å; Y341-F345 HydrophobicContact CG-CD2 4Å; Y341-F345 HydrophobicContact CG-CE2 4.44Å; Y341-F345 AromaticContact CZ-CD2 3.83Å; Y341-F345 WeakPolarHBondContact O-CD2 3.18Å; Y341-F345 PolarHBondContact O-N 2.83Å; D342-F345 PolarHBondContact O-N 3.37Å; F345-T349 HydrophobicContact CD1-CG2 3.77Å; F345-T349 HydrophobicContact CE1-CG2 4.23Å; F345-T349 HydrophobicContact CG-CG2 4.47Å; F345-T349 PolarHBondContact O-OG1 2.99Å; F345-M360 HydrophobicContact CB-CB 4.22Å; F345-M360 HydrophobicContact CB-SD 4.29Å
346V83.7Confident83.6Confident12 Ų1262 Ų627%0.07331%0.312CS..Iπ-helixtrans-85.4-49.4174.9-178.20000113.1D342 F344 P350 S358 M360 G453 P455D342-V346 WeakPolarHBondContact O-CB 3.43Å; D342-V346 WeakPolarHBondContact O-CG2 3.33Å; D342-V346 PolarHBondContact O-N 2.94Å; F344-V346 PolarHBondContact O-N 2.96Å; V346-P350 WeakPolarHBondContact O-CD 3.47Å; V346-P350 WeakPolarHBondContact O-CG 3.36Å; V346-S358 VanDerWaalsContact O-CB 3.26Å; V346-S358 WeakPolarHBondContact O-CB 3.4Å; V346-M360 HydrophobicContact CG2-CE 4.4Å; V346-M360 HydrophobicContact CG2-SD 3.71Å; V346-G453 WeakPolarHBondContact CG1-O 3.3Å; V346-P455 HydrophobicContact CB-CB 4.27Å; V346-P455 HydrophobicContact CB-CG 4.43Å; V346-P455 HydrophobicContact CG2-CB 4.05Å
347F83.9Confident82.4Confident77 Ų7762.8 Ų62.834%0.33831%0.309SS..Iπ-helixtrans-99.9-25-171.4-61.8-46.5000115.5V343 P455 L458V343-F347 HydrophobicContact CG1-CD2 4.37Å; V343-F347 WeakPolarHBondContact O-CB 3.03Å; V343-F347 PolarHBondContact O-N 3.47Å; F347-P455 HydrophobicContact CD2-CG 4.19Å; F347-P455 HydrophobicContact CE2-CG 3.49Å; F347-P455 VanDerWaalsContact CE2-CG 3.49Å; F347-P455 HydrophobicContact CZ-CG 3.77Å; F347-L458 HydrophobicContact CE2-CD2 4.3Å
348I85.3Confident81.6Confident71 Ų7160.9 Ų60.936%0.36430%0.298SS..Iπ-helixtrans-94.2-36-175.9-62.5177000111.5F344 P350 H351 F352F344-I348 HydrophobicContact CB-CD1 4.46Å; F344-I348 HydrophobicContact CD2-CB 3.88Å; F344-I348 HydrophobicContact CD2-CD1 3.89Å; F344-I348 HydrophobicContact CD2-CG1 4.44Å; F344-I348 HydrophobicContact CD2-CG2 3.79Å; F344-I348 HydrophobicContact CE2-CB 4.25Å; F344-I348 HydrophobicContact CE2-CG2 3.69Å; F344-I348 HydrophobicContact CG-CB 4.33Å; F344-I348 HydrophobicContact CZ-CG2 4.48Å; F344-I348 WeakPolarHBondContact O-CA 3.41Å; F344-I348 WeakPolarHBondContact O-CB 3.36Å; F344-I348 PolarHBondContact O-N 3.31Å; I348-P350 VanDerWaalsContact C-CD 3.45Å; I348-H351 PolarHBondContact O-N 2.94Å; I348-F352 HydrophobicContact CG2-CD2 4.3Å; I348-F352 HydrophobicContact CG2-CE2 3.8Å; I348-F352 WeakPolarHBondContact O-CD2 3.43Å
349T84.1Confident81.1Confident4 Ų461.4 Ų61.43%0.02530%0.301CS..G310 helixtrans-63.2-30.8179.170.30000116.4F344 F345 H351 F352 T353 S358 I359F344-T349 HydrophobicContact CD1-CG2 4.26Å; F344-T349 HydrophobicContact CE1-CG2 3.94Å; F344-T349 PolarHBondContact O-N 2.7Å; F344-T349 VanDerWaalsContact O-N 3.12Å; F345-T349 HydrophobicContact CD1-CG2 3.77Å; F345-T349 HydrophobicContact CE1-CG2 4.23Å; F345-T349 HydrophobicContact CG-CG2 4.47Å; F345-T349 PolarHBondContact O-OG1 2.99Å; T349-H351 PolarHBondContact O-N 3.37Å; T349-H351 VanDerWaalsContact O-N 3.09Å; T349-F352 PolarHBondContact O-N 2.85Å; T349-T353 PolarHBondContact O-N 3.04Å; T349-T353 PolarHBondContact O-OG1 2.7Å; T349-T353 VanDerWaalsContact O-OG1 3.06Å; T349-S358 WeakPolarHBondContact OG1-CA 3.23Å; T349-I359 HydrophobicContact CG2-CD1 3.9Å; T349-I359 HydrophobicContact CG2-CG1 4.25Å; T349-I359 PolarHBondContact OG1-N 3.44Å
350P81.5Confident80.4Confident21 Ų2161.3 Ų61.314%0.13630%0.302CS..G310 helixtrans-50.5-32.8171.1-3238.1000114.7V346 I348 F352V346-P350 WeakPolarHBondContact O-CD 3.47Å; V346-P350 WeakPolarHBondContact O-CG 3.36Å; I348-P350 VanDerWaalsContact C-CD 3.45Å; P350-F352 VanDerWaalsContact C-N 3.28Å; P350-F352 PolarHBondContact O-N 2.72Å
351H81.5Confident79.6Confident150 Ų15059.8 Ų59.869%0.69429%0.293SS*.G310 helixtrans-76.8-11.9178.7-63.3-66.5000114I348 T349I348-H351 PolarHBondContact O-N 2.94Å; T349-H351 PolarHBondContact O-N 3.37Å; T349-H351 VanDerWaalsContact O-N 3.09Å
352F79.7Confident78.9Confident163 Ų16359.3 Ų59.372%0.71529%0.292SS*.THydrogen-bonded Turntrans-108-23.5176.7-67.1-77.3000112.9I348 T349 P350I348-F352 HydrophobicContact CG2-CD2 4.3Å; I348-F352 HydrophobicContact CG2-CE2 3.8Å; I348-F352 WeakPolarHBondContact O-CD2 3.43Å; T349-F352 PolarHBondContact O-N 2.85Å; P350-F352 VanDerWaalsContact C-N 3.28Å; P350-F352 PolarHBondContact O-N 2.72Å
353T72.8Confident78.3Confident13 Ų1359.7 Ų59.78%0.0829%0.294CS..SBendtrans-80130.1178.7-50.20000111.2T349 N355 G356 E357T349-T353 PolarHBondContact O-N 3.04Å; T349-T353 PolarHBondContact O-OG1 2.7Å; T349-T353 VanDerWaalsContact O-OG1 3.06Å; T353-N355 HydrophobicContact CG2-CB 4.3Å; T353-N355 PolarHBondContact O-N 3.5Å; T353-N355 VanDerWaalsContact O-N 3.08Å; T353-G356 PolarHBondContact O-N 3.38Å; T353-E357 WeakPolarHBondContact CB-O 3.27Å; T353-E357 WeakPolarHBondContact CG2-O 3.34Å; T353-E357 PolarHBondContact OG1-O 2.79Å; T353-E357 VanDerWaalsContact OG1-O 3.05Å
354K66.2Low77.4Confident208 Ų20860.9 Ų60.990%0.90431%0.309SS*.THydrogen-bonded Turntrans-56.5-28.6-179.5-65.3179.3-178.4174.50114.4
355N63.4Low76.3Confident109 Ų10959.4 Ų59.458%0.58331%0.312SS*.THydrogen-bonded Turntrans-87.1-9-176.2-57.8-16.4000112.9T353 E357T353-N355 HydrophobicContact CG2-CB 4.3Å; T353-N355 PolarHBondContact O-N 3.5Å; T353-N355 VanDerWaalsContact O-N 3.08Å; N355-E357 PolarHBondContact O-N 3.49Å
356G66.6Low75.3Confident19 Ų1959.5 Ų59.520%0.19632%0.316CS..SBendtrans704.5-171.300000115Q6 T353Q6-G356 PolarHBondContact NE2-O 2.88Å; T353-G356 PolarHBondContact O-N 3.38Å
357E68.3Low74.3Confident77 Ų7760.6 Ų60.636%0.3632%0.323SS..  trans-87.6153.5171.3-62.5-159.1150.100111.3T353 N355T353-E357 WeakPolarHBondContact CB-O 3.27Å; T353-E357 WeakPolarHBondContact CG2-O 3.34Å; T353-E357 PolarHBondContact OG1-O 2.79Å; T353-E357 VanDerWaalsContact OG1-O 3.05Å; N355-E357 PolarHBondContact O-N 3.49Å
358S78Confident72.8Confident12 Ų1259.9 Ų59.98%0.08433%0.328CS..  trans-79.8137.2175.860.80000110.8V346 T349 M360 V361 E362V346-S358 VanDerWaalsContact O-CB 3.26Å; V346-S358 WeakPolarHBondContact O-CB 3.4Å; T349-S358 WeakPolarHBondContact OG1-CA 3.23Å; S358-M360 PolarHBondContact O-N 2.85Å; S358-M360 VanDerWaalsContact O-N 3.13Å; S358-V361 PolarHBondContact O-N 3.31Å; S358-V361 WeakPolarHBondContact OG-CB 3.26Å; S358-V361 VanDerWaalsContact OG-CG2 3.23Å; S358-V361 WeakPolarHBondContact OG-CG2 3.08Å; S358-E362 PolarHBondContact O-N 2.88Å
359I80.3Confident71.2Confident21 Ų2164.2 Ų64.211%0.10835%0.352CS..Hα-helixtrans-56.9-35.7-177.5-60173.9000110.7L220 Y224 T349 V361 E362 V363L220-I359 HydrophobicContact CD2-CB 4.32Å; L220-I359 HydrophobicContact CD2-CG2 3.51Å; Y224-I359 HydrophobicContact CD2-CG2 3.75Å; Y224-I359 HydrophobicContact CG-CG2 3.75Å; T349-I359 HydrophobicContact CG2-CD1 3.9Å; T349-I359 HydrophobicContact CG2-CG1 4.25Å; T349-I359 PolarHBondContact OG1-N 3.44Å; I359-V361 PolarHBondContact O-N 3.19Å; I359-E362 PolarHBondContact O-N 2.73Å; I359-V363 HydrophobicContact CG2-CG2 4.08Å; I359-V363 VanDerWaalsContact O-CB 3.25Å; I359-V363 WeakPolarHBondContact O-CB 3.48Å; I359-V363 VanDerWaalsContact O-CG2 3.27Å; I359-V363 WeakPolarHBondContact O-CG2 3.42Å; I359-V363 PolarHBondContact O-N 3.16Å
360M78.5Confident69.5Low61 Ų6164.6 Ų64.630%0.336%0.355SS..Hα-helixtrans-65.5-33.3177.8-178.4164.9165.600113.5F345 V346 S358 A364F345-M360 HydrophobicContact CB-CB 4.22Å; F345-M360 HydrophobicContact CB-SD 4.29Å; V346-M360 HydrophobicContact CG2-CE 4.4Å; V346-M360 HydrophobicContact CG2-SD 3.71Å; S358-M360 PolarHBondContact O-N 2.85Å; S358-M360 VanDerWaalsContact O-N 3.13Å; M360-A364 WeakPolarHBondContact O-CB 3.33Å; M360-A364 PolarHBondContact O-N 3.45Å; M360-A364 VanDerWaalsContact O-N 3.12Å
361V74.6Confident67.8Low61 Ų6168.5 Ų68.537%0.3739%0.389SS..Hα-helixtrans-78.7-42175.4170.80000110.9S358 I359 V363 A364 A365S358-V361 PolarHBondContact O-N 3.31Å; S358-V361 WeakPolarHBondContact OG-CB 3.26Å; S358-V361 VanDerWaalsContact OG-CG2 3.23Å; S358-V361 WeakPolarHBondContact OG-CG2 3.08Å; I359-V361 PolarHBondContact O-N 3.19Å; V361-V363 PolarHBondContact O-N 3.45Å; V361-A364 PolarHBondContact O-N 3.46Å; V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 3.48Å
362E74.1Confident66.3Low31 Ų3163.8 Ų63.815%0.14537%0.371CS..Hα-helixtrans-62.3-43.7178.3-164.4169.4170.900111.1Y224 S358 I359 A365 G366Y224-E362 HydrophobicContact CE2-CG 4.41Å; Y224-E362 WeakPolarHBondContact CE2-OE2 3.48Å; S358-E362 PolarHBondContact O-N 2.88Å; I359-E362 PolarHBondContact O-N 2.73Å; E362-A365 PolarHBondContact O-N 3.49Å; E362-G366 CarbonylContact O-C 3.59Å; E362-G366 PolarHBondContact O-N 3.45Å
363V77.9Confident65.3Low10 Ų1063.1 Ų63.16%0.06137%0.37CS..Hα-helixtrans-68.2-35173.7168.90000112.7L223 Y224 Y227 I359 V361 L376L223-V363 HydrophobicContact CB-CG1 4.45Å; L223-V363 HydrophobicContact CD2-CG1 3.53Å; L223-V363 HydrophobicContact CG-CG1 3.81Å; Y224-V363 HydrophobicContact CD2-CG2 4.36Å; Y227-V363 HydrophobicContact CE2-CG1 4.48Å; Y227-V363 WeakPolarHBondContact CE2-O 3.23Å; I359-V363 HydrophobicContact CG2-CG2 4.08Å; I359-V363 VanDerWaalsContact O-CB 3.25Å; I359-V363 WeakPolarHBondContact O-CB 3.48Å; I359-V363 VanDerWaalsContact O-CG2 3.27Å; I359-V363 WeakPolarHBondContact O-CG2 3.42Å; I359-V363 PolarHBondContact O-N 3.16Å; V361-V363 PolarHBondContact O-N 3.45Å; V363-L376 HydrophobicContact CG1-CD1 3.79Å; V363-L376 VanDerWaalsContact O-CD1 3.26Å; V363-L376 WeakPolarHBondContact O-CD1 3.34Å
364A69Low65.1Low65 Ų6563.3 Ų63.354%0.53737%0.37SS..Hα-helixtrans-74.5-28.5177.600000113.4M360 V361M360-A364 WeakPolarHBondContact O-CB 3.33Å; M360-A364 PolarHBondContact O-N 3.45Å; M360-A364 VanDerWaalsContact O-N 3.12Å; V361-A364 PolarHBondContact O-N 3.46Å
365A66.6Low65.4Low52 Ų5258 Ų5843%0.4335%0.347SS..Hα-helixtrans-84-31.817600000113V361 E362V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 3.48Å; E362-A365 PolarHBondContact O-N 3.49Å
366G65.3Low66.2Low13 Ų1353.8 Ų53.813%0.13432%0.324CS..  trans92.6140.1-170.100000111.8E362E362-G366 CarbonylContact O-C 3.59Å; E362-G366 PolarHBondContact O-N 3.45Å
367P62.7Low66.8Low34 Ų3452.9 Ų52.922%0.22132%0.315CS..  trans-60.7148.7174.1-20.732.8000111.9Y227 D369Y227-P367 VanDerWaalsContact CD1-CD 3.42Å; Y227-P367 HydrophobicContact CD1-CG 4.15Å; Y227-P367 HydrophobicContact CD2-CG 4.13Å; Y227-P367 HydrophobicContact CG-CG 3.74Å; P367-D369 VanDerWaalsContact C-N 3.34Å; P367-D369 PolarHBondContact O-N 2.91Å
368S53.2Low67.4Low62 Ų6253.6 Ų53.643%0.43432%0.319SS..THydrogen-bonded Turntrans-77.3-19.4-175.2-58.90000114R105R105-S368 WeakPolarHBondContact CD-OG 3.45Å
369D50.8Low67.9Low163 Ų16354.6 Ų54.687%0.87233%0.325SS*.THydrogen-bonded Turntrans-96.7-2.4-177.6-56.7-24.2000113.1P367 A371P367-D369 VanDerWaalsContact C-N 3.34Å; P367-D369 PolarHBondContact O-N 2.91Å; D369-A371 PolarHBondContact O-N 2.86Å
370S49.6Very low68.2Low12 Ų1253.6 Ų53.68%0.08432%0.32CS..  trans-67.1121.6-179.1-72.40000111.5D228 P372D228-S370 WeakPolarHBondContact OD1-CB 3.39Å; D228-S370 PolarHBondContact OD1-OG 3.49Å; S370-P372 VanDerWaalsContact C-N 3.27Å; S370-P372 CarbonylContact O-C 3.59Å
371A44.9Very low68.5Low103 Ų10351.2 Ų51.285%0.85131%0.308SS*.SBendtrans-63.5-24-17300000114.6D228 D369D228-A371 PolarHBondContact OD2-N 3.16Å; D369-A371 PolarHBondContact O-N 2.86Å
372P50.8Low68.9Low50 Ų5048.4 Ų48.433%0.32529%0.291SS..SBendtrans-110.312915831.2-17.2000111.1S370 E374S370-P372 VanDerWaalsContact C-N 3.27Å; S370-P372 CarbonylContact O-C 3.59Å; P372-E374 HydrophobicContact CB-CG 3.8Å; P372-E374 HydrophobicContact CG-CG 3.95Å; P372-E374 PolarHBondContact O-N 3.4Å
373H58.4Low68.8Low149 Ų14948.1 Ų48.169%0.6929%0.292SS*.  trans-71.560.2172.9-61.7-53.1000112.5K375H373-K375 PolarHBondContact O-N 3.38Å
374E67.1Low68.3Low17 Ų1750.6 Ų50.68%0.07930%0.3CS..  trans-74114.5-178.1-54.3-143.2138.700111.4Y227 A231 I232 I235 R298 P372Y227-E374 WeakPolarHBondContact CE1-O 3.5Å; Y227-E374 PolarHBondContact OH-O 2.72Å; A231-E374 HydrophobicContact CB-CB 4.3Å; I232-E374 WeakPolarHBondContact CG1-OE2 3.23Å; I235-E374 HydrophobicContact CD1-CB 4.47Å; I235-E374 WeakPolarHBondContact CD1-OE2 3.46Å; R298-E374 IonicContact CZ-OE1 2.66Å; R298-E374 IonicContact NE-OE1 3.69Å; R298-E374 IonicContact NH2-OE1 2.68Å; R298-E374 PolarHBondContact NH2-OE1 3.07Å; P372-E374 HydrophobicContact CB-CG 3.8Å; P372-E374 HydrophobicContact CG-CG 3.95Å; P372-E374 PolarHBondContact O-N 3.4Å
375K73.4Confident67.9Low98 Ų9852.2 Ų52.243%0.42630%0.299SS..  trans-88.3120.5174.5-57.8176-171.8178.50109.2D301 H373D301-K375 IonicContact OD2-NZ 3.93Å; D301-K375 PolarHBondContact OD2-NZ 2.78Å; H373-K375 PolarHBondContact O-N 3.38Å
376L80Confident67.4Low19 Ų1952.3 Ų52.310%0.09929%0.292CS..  trans-58.2133.6-178.8-66.9169.7000111.8L223 Y227 A231 V234 V363 M378L223-L376 HydrophobicContact CD2-CD1 3.74Å; L223-L376 HydrophobicContact CD2-CD2 4.14Å; Y227-L376 HydrophobicContact CE2-CD1 4.21Å; Y227-L376 HydrophobicContact CE2-CG 4.28Å; A231-L376 HydrophobicContact CB-CD2 4.15Å; V234-L376 HydrophobicContact CB-CD2 4.41Å; V234-L376 HydrophobicContact CG1-CD2 4.24Å; V363-L376 HydrophobicContact CG1-CD1 3.79Å; V363-L376 VanDerWaalsContact O-CD1 3.26Å; V363-L376 WeakPolarHBondContact O-CD1 3.34Å; L376-M378 HydrophobicContact CB-CG 4.47Å; L376-M378 PolarHBondContact O-N 2.04Å
377P79.2Confident66.6Low0 Ų062 Ų620%033%0.331CS..SBendtrans-83.723.2-174.935.8-38.5000113.7I235 F238 W294 V379 F402I235-P377 HydrophobicContact CG1-CG 4Å; F238-P377 HydrophobicContact CB-CG 3.97Å; F238-P377 HydrophobicContact CD1-CB 3.73Å; F238-P377 HydrophobicContact CD1-CG 3.81Å; F238-P377 HydrophobicContact CE1-CB 3.97Å; F238-P377 HydrophobicContact CG-CB 4.2Å; F238-P377 HydrophobicContact CG-CG 3.93Å; W294-P377 HydrophobicContact CH2-CB 3.47Å; W294-P377 VanDerWaalsContact CH2-CB 3.47Å; W294-P377 HydrophobicContact CH2-CG 3.95Å; W294-P377 HydrophobicContact CZ2-CB 3.7Å; P377-V379 VanDerWaalsContact C-N 3.26Å; P377-V379 PolarHBondContact O-N 2.96Å; P377-F402 WeakPolarHBondContact O-CE2 3.15Å; P377-F402 WeakPolarHBondContact O-CZ 3.31Å
378M81.1Confident66.1Low93 Ų9362 Ų6246%0.45833%0.332SS..SBendtrans-90.118.3-170.7-53.9-175.297.200113.5V234 L376 F402V234-M378 HydrophobicContact CG1-CE 4.34Å; V234-M378 HydrophobicContact CG1-CG 4.14Å; V234-M378 HydrophobicContact CG1-SD 3.89Å; L376-M378 HydrophobicContact CB-CG 4.47Å; L376-M378 PolarHBondContact O-N 2.04Å; M378-F402 WeakPolarHBondContact O-CG 3.32Å; M378-F402 PolarHBondContact O-N 3.42Å
379V88Confident66Low32 Ų3260.6 Ų60.619%0.19432%0.321CS..EExtended strand (participates in β ladder)trans-137.7149.9-171.4-65.20000111.5Q308 P377 K381 L399 L400 F402Q308-V379 PolarHBondContact NE2-O 3.14Å; P377-V379 VanDerWaalsContact C-N 3.26Å; P377-V379 PolarHBondContact O-N 2.96Å; V379-K381 HydrophobicContact CG2-CG 4.21Å; V379-L399 HydrophobicContact CG2-CD2 4.16Å; V379-L400 CarbonylContact C-O 3.56Å; V379-L400 WeakPolarHBondContact CA-O 3.35Å; V379-F402 WeakPolarHBondContact O-CE1 3.49Å; V379-F402 WeakPolarHBondContact O-CZ 3.42Å
380L86.9Confident66.1Low1 Ų153.7 Ų53.71%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-74.4147.2158.2-67.4177.7000109.5I161 M164 D309 I313 L399 L400 F402 I405I161-L380 HydrophobicContact CD1-CB 4.02Å; I161-L380 HydrophobicContact CG1-CB 4.15Å; I161-L380 HydrophobicContact CG1-CD1 4.24Å; M164-L380 HydrophobicContact CB-CD1 4.44Å; M164-L380 HydrophobicContact CE-CD1 4.45Å; D309-L380 HydrophobicContact CB-CD2 3.89Å; D309-L380 WeakPolarHBondContact OD1-CA 3.39Å; I313-L380 HydrophobicContact CD1-CD2 4.44Å; I313-L380 HydrophobicContact CG1-CD2 4Å; L380-L399 WeakPolarHBondContact O-CA 3.35Å; L380-L400 PolarHBondContact N-O 3.38Å; L380-L400 PolarHBondContact O-N 3.48Å; L380-F402 HydrophobicContact CD2-CE1 3.85Å; L380-F402 HydrophobicContact CG-CD1 4.39Å; L380-F402 HydrophobicContact CG-CE1 3.95Å; L380-I405 HydrophobicContact CD1-CD1 3.55Å; L380-I405 HydrophobicContact CG-CD1 4.06Å
381K84.3Confident66.1Low10 Ų1054.7 Ų54.74%0.04329%0.293CS..EExtended strand (participates in β ladder)trans-131.298.8-177-74178.4173.2170.10110.6W305 Q308 D309 V379 F397 L399W305-K381 HydrophobicContact CB-CB 4.05Å; Q308-K381 VanDerWaalsContact OE1-CE 3.27Å; D309-K381 PolarHBondContact OD1-N 3.49Å; D309-K381 PolarHBondContact OD2-N 2.66Å; D309-K381 VanDerWaalsContact OD2-N 3.16Å; V379-K381 HydrophobicContact CG2-CG 4.21Å; K381-F397 HydrophobicContact CB-CD1 3.89Å; K381-F397 HydrophobicContact CB-CE1 4.39Å; K381-F397 HydrophobicContact CB-CG 4.26Å; K381-L399 HydrophobicContact CB-CD2 4.49Å; K381-L399 HydrophobicContact CG-CD2 3.75Å
382V82.8Confident66.5Low3 Ų354.8 Ų54.82%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-105117.4175.1-172.30000110.8N157 I160 I161 M164 F397 S398N157-V382 HydrophobicContact CB-CB 4.26Å; N157-V382 HydrophobicContact CB-CG1 3.72Å; N157-V382 PolarHBondContact ND2-O 3.32Å; I160-V382 HydrophobicContact CB-CG1 4.04Å; I160-V382 HydrophobicContact CG2-CG1 3.77Å; I160-V382 HydrophobicContact CG2-CG2 4.18Å; I161-V382 HydrophobicContact CB-CB 4.39Å; I161-V382 HydrophobicContact CB-CG2 3.69Å; I161-V382 HydrophobicContact CD1-CG2 4.07Å; I161-V382 HydrophobicContact CG1-CG2 3.85Å; M164-V382 HydrophobicContact CE-CG2 3.37Å; V382-F397 WeakPolarHBondContact O-CA 3.49Å; V382-S398 PolarHBondContact N-O 3.32Å; V382-S398 PolarHBondContact O-N 3.43Å
383P73.5Confident66.7Low25 Ų2552.5 Ų52.516%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-62.5144.9178.924.5-32.6000111.8N157 W305 L385 P396 F397N157-P383 VanDerWaalsContact CB-O 3.27Å; N157-P383 WeakPolarHBondContact CB-O 3.06Å; W305-P383 HydrophobicContact CD2-CG 4.27Å; W305-P383 HydrophobicContact CH2-CG 4.05Å; W305-P383 HydrophobicContact CZ2-CG 3.67Å; W305-P383 HydrophobicContact CZ3-CG 4.49Å; P383-L385 HydrophobicContact CG-CD2 4.11Å; P383-L385 PolarHBondContact O-N 2.9Å; P383-P396 CarbonylContact C-O 3.51Å; P383-P396 VanDerWaalsContact CA-O 3.23Å; P383-P396 WeakPolarHBondContact CA-O 3.18Å; P383-F397 HydrophobicContact CB-CD1 4.17Å; P383-F397 HydrophobicContact CB-CE1 4.01Å; P383-F397 HydrophobicContact CG-CE1 4.46Å
384R67.1Low66.4Low61 Ų6152.7 Ų52.723%0.2327%0.27CS..  trans-64.4100.9170.8-67.4-92.3-170.6161.616.4107.4E151 D155 N157 N386 P396E151-R384 IonicContact OE2-CZ 2.65Å; E151-R384 IonicContact OE2-NH1 3.77Å; E151-R384 PolarHBondContact OE2-NH1 3.46Å; E151-R384 IonicContact OE2-NH2 2.64Å; E151-R384 PolarHBondContact OE2-NH2 3.14Å; D155-R384 WeakPolarHBondContact OD2-CD 3.32Å; D155-R384 IonicContact OD2-CZ 3.95Å; D155-R384 IonicContact OD2-NE 3.79Å; D155-R384 IonicContact OD2-NH1 2.75Å; D155-R384 PolarHBondContact OD2-NH1 3.43Å; N157-R384 WeakPolarHBondContact ND2-CD 3.19Å; N157-R384 WeakPolarHBondContact ND2-CG 3.42Å; R384-N386 PolarHBondContact O-N 3.42Å; R384-P396 WeakPolarHBondContact CG-O 3.02Å; R384-P396 PolarHBondContact N-O 2.9Å
385L59.3Low65.8Low100 Ų10059.6 Ų59.652%0.52430%0.295SS..  trans-76.4-6.3-177-60-176.7000114I160 P383I160-L385 HydrophobicContact CD1-CD1 3.47Å; I160-L385 VanDerWaalsContact CD1-CD1 3.47Å; P383-L385 HydrophobicContact CG-CD2 4.11Å; P383-L385 PolarHBondContact O-N 2.9Å
386N56.2Low64.9Low54 Ų5457 Ų5729%0.28929%0.288SS..SBendtrans-85.4137.1175.5-81.8-22.7000110.5D155 Y156 R384 S388D155-N386 PolarHBondContact OD1-ND2 2.92Å; Y156-N386 WeakPolarHBondContact CD2-OD1 3.34Å; R384-N386 PolarHBondContact O-N 3.42Å; N386-S388 PolarHBondContact O-N 3.18Å
387F50.1Low64Low216 Ų21657.6 Ų57.695%0.94729%0.29SS*.  trans-71.142.8173.3-63.9-85.1000113
388S51.5Low63.6Low33 Ų3357.9 Ų57.923%0.23129%0.292CS..  trans-68.9128.9164.4179.60000107.8N386 L390 A391N386-S388 PolarHBondContact O-N 3.18Å; S388-L390 PolarHBondContact O-N 3.29Å; S388-L390 VanDerWaalsContact O-N 3.15Å; S388-L390 PolarHBondContact OG-N 3.38Å; S388-A391 VanDerWaalsContact O-CB 3.23Å; S388-A391 WeakPolarHBondContact O-CB 3.18Å; S388-A391 PolarHBondContact O-N 3.29Å
389P50.3Low63.6Low33 Ų3358.1 Ų58.121%0.21430%0.295CS..G310 helixtrans-64.2-21.5179.329.7-36.3000111.2M13 Y147 P149 A391 L392M13-P389 WeakPolarHBondContact CE-O 3.38Å; M13-P389 HydrophobicContact CG-CB 3.85Å; M13-P389 HydrophobicContact CG-CG 3.97Å; M13-P389 VanDerWaalsContact SD-C 3.54Å; M13-P389 HydrophobicContact SD-CB 3.69Å; M13-P389 HydrophobicContact SD-CG 4.44Å; Y147-P389 HydrophobicContact CE2-CG 4.19Å; Y147-P389 WeakPolarHBondContact OH-CG 3.37Å; P149-P389 HydrophobicContact CG-CG 4.17Å; P389-A391 PolarHBondContact O-N 3.3Å; P389-A391 VanDerWaalsContact O-N 3.09Å; P389-L392 WeakPolarHBondContact O-CB 3.27Å; P389-L392 WeakPolarHBondContact O-CG 3.32Å; P389-L392 PolarHBondContact O-N 3.31Å
390L53.3Low63.5Low18 Ų1857 Ų579%0.09429%0.288CS..G310 helixtrans-60.3-14.4169.6-124.676.1000114.6H11 M13 P149 E151 S388 L392 C393H11-L390 HydrophobicContact CB-CD1 4.48Å; H11-L390 HydrophobicContact CB-CD2 4.14Å; H11-L390 HydrophobicContact CB-CG 4.22Å; M13-L390 HydrophobicContact CE-CD1 4.2Å; M13-L390 HydrophobicContact CG-CD1 4.3Å; P149-L390 HydrophobicContact CG-CD1 3.97Å; E151-L390 HydrophobicContact CG-CD2 3.98Å; S388-L390 PolarHBondContact O-N 3.29Å; S388-L390 VanDerWaalsContact O-N 3.15Å; S388-L390 PolarHBondContact OG-N 3.38Å; L390-L392 PolarHBondContact O-N 2.78Å; L390-C393 WeakPolarHBondContact O-CB 3.43Å; L390-C393 PolarHBondContact O-N 2.88Å
391A50.8Low63.6Low33 Ų3357.8 Ų57.827%0.27330%0.296SS..G310 helixtrans-62.4-18.8170.400000113.1S388 P389 C393S388-A391 VanDerWaalsContact O-CB 3.23Å; S388-A391 WeakPolarHBondContact O-CB 3.18Å; S388-A391 PolarHBondContact O-N 3.29Å; P389-A391 PolarHBondContact O-N 3.3Å; P389-A391 VanDerWaalsContact O-N 3.09Å; A391-C393 VanDerWaalsContact C-N 3.29Å
392L53.2Low64Low105 Ų10557.7 Ų57.755%0.5530%0.295SS..G310 helixtrans-74.7-13.8172.7-62168.5000113.3M13 D26 P389 L390 D394M13-L392 HydrophobicContact CE-CB 4.36Å; M13-L392 HydrophobicContact SD-CD1 4.36Å; D26-L392 HydrophobicContact CB-CD1 4.05Å; P389-L392 WeakPolarHBondContact O-CB 3.27Å; P389-L392 WeakPolarHBondContact O-CG 3.32Å; P389-L392 PolarHBondContact O-N 3.31Å; L390-L392 PolarHBondContact O-N 2.78Å; L392-D394 PolarHBondContact O-N 3.15Å
393C54.8Low64.3Low3 Ų359.3 Ų59.32%0.0231%0.313CS..SBendtrans-90.451.4-172.1-89.50000115H11 G12 M13 C28 L390 A391 R395H11-C393 HydrophobicContact CB-CB 4.07Å; G12-C393 PolarHBondContact O-SG 3.37Å; M13-C393 HydrophobicContact CE-CB 4.45Å; M13-C393 WeakPolarHBondContact CE-SG 3.45Å; C28-C393 WeakPolarHBondContact CA-SG 3.29Å; C28-C393 HydrophobicContact CB-CB 3.98Å; C28-C393 WeakPolarHBondContact CB-SG 3.21Å; C28-C393 WeakPolarHBondContact SG-CA 3.38Å; C28-C393 WeakPolarHBondContact SG-CB 3.32Å; C28-C393 CovalentContact SG-SG 2.04Å; C28-C393 PolarHBondContact SG-SG 2.73Å; L390-C393 WeakPolarHBondContact O-CB 3.43Å; L390-C393 PolarHBondContact O-N 2.88Å; A391-C393 VanDerWaalsContact C-N 3.29Å; C393-R395 PolarHBondContact O-N 3.08Å
394D50.7Low65.2Low152 Ų15259.3 Ų59.381%0.81331%0.312SS*.SBendtrans53.94.4173.5-93.5-26.5000117.6L392 P396L392-D394 PolarHBondContact O-N 3.15Å; D394-P396 WeakPolarHBondContact O-CD 3.36Å
395R54.5Low66.5Low162 Ų16256.5 Ų56.561%0.61130%0.301SS*.  trans-114.549.7167.9-59.2-153-178.2-148.84.6113.3C393 F397C393-R395 PolarHBondContact O-N 3.08Å; R395-F397 PolarHBondContact O-N 2.91Å; R395-F397 VanDerWaalsContact O-N 3.16Å
396P54.4Low68.2Low43 Ų4352.9 Ų52.928%0.27928%0.282SS..  trans-67.4-12.3178.829.1-35.1000113.4P383 R384 D394P383-P396 CarbonylContact C-O 3.51Å; P383-P396 VanDerWaalsContact CA-O 3.23Å; P383-P396 WeakPolarHBondContact CA-O 3.18Å; R384-P396 WeakPolarHBondContact CG-O 3.02Å; R384-P396 PolarHBondContact N-O 2.9Å; D394-P396 WeakPolarHBondContact O-CD 3.36Å
397F61.1Low69.9Low32 Ų3251.1 Ų51.114%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-110.9139.1-177.6-59.8-76.8000113.7D301 W305 K381 V382 P383 R395 L399D301-F397 HydrophobicContact CB-CE2 3.96Å; D301-F397 HydrophobicContact CB-CZ 3.97Å; D301-F397 WeakPolarHBondContact O-CZ 3.35Å; W305-F397 HydrophobicContact CB-CE1 3.96Å; W305-F397 HydrophobicContact CB-CZ 4.46Å; W305-F397 HydrophobicContact CG-CE1 4.01Å; K381-F397 HydrophobicContact CB-CD1 3.89Å; K381-F397 HydrophobicContact CB-CE1 4.39Å; K381-F397 HydrophobicContact CB-CG 4.26Å; V382-F397 WeakPolarHBondContact O-CA 3.49Å; P383-F397 HydrophobicContact CB-CD1 4.17Å; P383-F397 HydrophobicContact CB-CE1 4.01Å; P383-F397 HydrophobicContact CG-CE1 4.46Å; R395-F397 PolarHBondContact O-N 2.91Å; R395-F397 VanDerWaalsContact O-N 3.16Å; F397-L399 HydrophobicContact CB-CD2 3.86Å
398S71.9Confident72.1Confident6 Ų640.9 Ų40.94%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-76.4136.2151178.90000108.9N157 M158 V382N157-S398 VanDerWaalsContact ND2-CB 3.34Å; N157-S398 WeakPolarHBondContact ND2-CB 3.41Å; N157-S398 PolarHBondContact ND2-N 2.85Å; M158-S398 WeakPolarHBondContact CE-OG 3.26Å; M158-S398 PolarHBondContact SD-OG 3.49Å; V382-S398 PolarHBondContact N-O 3.32Å; V382-S398 PolarHBondContact O-N 3.43Å
399L80Confident74.2Confident98 Ų9839.3 Ų39.351%0.51322%0.218SC..EExtended strand (participates in β ladder)trans-118.4140.9-178.4-56.3180000110.5V379 L380 K381 F397V379-L399 HydrophobicContact CG2-CD2 4.16Å; L380-L399 WeakPolarHBondContact O-CA 3.35Å; K381-L399 HydrophobicContact CB-CD2 4.49Å; K381-L399 HydrophobicContact CG-CD2 3.75Å; F397-L399 HydrophobicContact CB-CD2 3.86Å
400L86.8Confident76.3Confident10 Ų1038.7 Ų38.75%0.05221%0.212CC..EExtended strand (participates in β ladder)trans-141.8132.9170.6-178.966.3000109.3I161 A165 V379 L380 D404 I405 L440I161-L400 HydrophobicContact CD1-CB 3.6Å; I161-L400 HydrophobicContact CG1-CB 4.05Å; I161-L400 HydrophobicContact CG1-CD2 4.47Å; A165-L400 HydrophobicContact CB-CD2 3.51Å; V379-L400 CarbonylContact C-O 3.56Å; V379-L400 WeakPolarHBondContact CA-O 3.35Å; L380-L400 PolarHBondContact N-O 3.38Å; L380-L400 PolarHBondContact O-N 3.48Å; L400-D404 HydrophobicContact CD1-CB 3.98Å; L400-D404 HydrophobicContact CG-CB 4.5Å; L400-I405 HydrophobicContact CD2-CD1 4.31Å; L400-I405 HydrophobicContact CD2-CG1 4.17Å; L400-L440 HydrophobicContact CD1-CD1 3.88Å; L400-L440 HydrophobicContact CD2-CD1 4.03Å; L400-L440 HydrophobicContact CD2-CD2 4.46Å
401G89.8Confident78.3Confident16 Ų1637.8 Ų37.817%0.16521%0.208CC..EExtended strand (participates in β ladder)trans-70.9141.9-176.400000112.9G403 D404 I405G401-G403 PolarHBondContact O-N 2.73Å; G401-D404 VanDerWaalsContact CA-OD2 3.22Å; G401-D404 WeakPolarHBondContact CA-OD2 3.46Å; G401-D404 PolarHBondContact N-OD2 2.95Å; G401-D404 WeakPolarHBondContact O-CB 3.4Å; G401-D404 PolarHBondContact O-N 3.37Å; G401-D404 VanDerWaalsContact O-N 3.09Å; G401-I405 PolarHBondContact O-N 3.47Å
402F91.3Very high80.5Confident8 Ų836.2 Ų36.24%0.03520%0.195CC..Hα-helixtrans-62.4-25.7167.7-61.5-19.8000111.5F238 F315 P377 M378 V379 L380 D404 I405 L406F238-F402 HydrophobicContact CD2-CE2 4.34Å; F238-F402 HydrophobicContact CE2-CD2 4.45Å; F238-F402 AromaticContact CE2-CE2 3.6Å; F238-F402 HydrophobicContact CE2-CE2 3.6Å; F238-F402 HydrophobicContact CE2-CZ 4.38Å; F238-F402 HydrophobicContact CZ-CE2 4.11Å; F315-F402 HydrophobicContact CD1-CD2 4.04Å; F315-F402 HydrophobicContact CD1-CE2 4.48Å; F315-F402 HydrophobicContact CE1-CD2 4.15Å; P377-F402 WeakPolarHBondContact O-CE2 3.15Å; P377-F402 WeakPolarHBondContact O-CZ 3.31Å; M378-F402 WeakPolarHBondContact O-CG 3.32Å; M378-F402 PolarHBondContact O-N 3.42Å; V379-F402 WeakPolarHBondContact O-CE1 3.49Å; V379-F402 WeakPolarHBondContact O-CZ 3.42Å; L380-F402 HydrophobicContact CD2-CE1 3.85Å; L380-F402 HydrophobicContact CG-CD1 4.39Å; L380-F402 HydrophobicContact CG-CE1 3.95Å; F402-D404 VanDerWaalsContact C-N 3.34Å; F402-I405 PolarHBondContact O-N 2.88Å; F402-L406 HydrophobicContact CB-CD1 4.44Å; F402-L406 WeakPolarHBondContact O-CB 3.36Å; F402-L406 WeakPolarHBondContact O-CG 3.37Å; F402-L406 PolarHBondContact O-N 2.65Å
403G90.1Very high82.5Confident38 Ų3831.7 Ų31.739%0.39217%0.173SC..Hα-helixtrans-57.7-45.3170.200000112.3G401 I405 L406 V407G401-G403 PolarHBondContact O-N 2.73Å; G403-I405 VanDerWaalsContact C-N 3.26Å; G403-I405 PolarHBondContact O-N 2.92Å; G403-L406 PolarHBondContact O-N 2.91Å; G403-V407 VanDerWaalsContact O-CB 3.24Å; G403-V407 WeakPolarHBondContact O-CB 3.33Å; G403-V407 WeakPolarHBondContact O-CG2 3.2Å; G403-V407 PolarHBondContact O-N 3.24Å
404D92.2Very high84.3Confident25 Ų2532 Ų3213%0.13417%0.173CC..Hα-helixtrans-67.3-28.5-177.2-48.8-44.9000112.5L400 G401 F402 P408 Y436 A456 L460L400-D404 HydrophobicContact CD1-CB 3.98Å; L400-D404 HydrophobicContact CG-CB 4.5Å; G401-D404 VanDerWaalsContact CA-OD2 3.22Å; G401-D404 WeakPolarHBondContact CA-OD2 3.46Å; G401-D404 PolarHBondContact N-OD2 2.95Å; G401-D404 WeakPolarHBondContact O-CB 3.4Å; G401-D404 PolarHBondContact O-N 3.37Å; G401-D404 VanDerWaalsContact O-N 3.09Å; F402-D404 VanDerWaalsContact C-N 3.34Å; D404-P408 WeakPolarHBondContact O-CD 3.36Å; D404-P408 VanDerWaalsContact O-CG 3.31Å; D404-P408 WeakPolarHBondContact O-CG 3.34Å; D404-Y436 WeakPolarHBondContact O-CE2 3.48Å; D404-A456 HydrophobicContact CB-CB 4.41Å; D404-L460 HydrophobicContact CB-CD1 3.91Å
405I95.1Very high86.4Confident1 Ų124.8 Ų24.81%0.00514%0.135CC..Hα-helixtrans-80.7-47.6174.3-59.9174.6000110.4A165 T168 V169 C316 L380 L400 G401 F402 G403 G409A165-I405 HydrophobicContact CB-CD1 4.27Å; A165-I405 HydrophobicContact CB-CG1 4.21Å; T168-I405 HydrophobicContact CG2-CG2 3.88Å; V169-I405 HydrophobicContact CG2-CG2 3.83Å; V169-I405 WeakPolarHBondContact CG2-O 3.5Å; C316-I405 HydrophobicContact CB-CG2 4.4Å; L380-I405 HydrophobicContact CD1-CD1 3.55Å; L380-I405 HydrophobicContact CG-CD1 4.06Å; L400-I405 HydrophobicContact CD2-CD1 4.31Å; L400-I405 HydrophobicContact CD2-CG1 4.17Å; G401-I405 PolarHBondContact O-N 3.47Å; F402-I405 PolarHBondContact O-N 2.88Å; G403-I405 VanDerWaalsContact C-N 3.26Å; G403-I405 PolarHBondContact O-N 2.92Å; I405-G409 WeakPolarHBondContact O-CA 3.45Å; I405-G409 PolarHBondContact O-N 3.36Å; I405-G409 VanDerWaalsContact O-N 3.15Å
406L93.9Very high88.2Confident24 Ų2417.1 Ų17.113%0.12611%0.106CC..Hα-helixtrans-71.9-48.6-173.2-75.3173000112.9F315 C316 M319 L320 F402 G403 G409 L410F315-L406 HydrophobicContact CE1-CD1 3.99Å; F315-L406 HydrophobicContact CZ-CD1 4.43Å; C316-L406 HydrophobicContact CB-CD2 4.18Å; M319-L406 HydrophobicContact CB-CD1 4.49Å; M319-L406 HydrophobicContact CB-CD2 3.61Å; L320-L406 HydrophobicContact CD2-CD2 4.12Å; L320-L406 HydrophobicContact CG-CD2 3.97Å; F402-L406 HydrophobicContact CB-CD1 4.44Å; F402-L406 WeakPolarHBondContact O-CB 3.36Å; F402-L406 WeakPolarHBondContact O-CG 3.37Å; F402-L406 PolarHBondContact O-N 2.65Å; G403-L406 PolarHBondContact O-N 2.91Å; L406-G409 CarbonylContact O-C 3.59Å; L406-G409 PolarHBondContact O-N 3.2Å; L406-G409 VanDerWaalsContact O-N 3.17Å; L406-L410 WeakPolarHBondContact O-CG 3.26Å; L406-L410 PolarHBondContact O-N 2.98Å
407V92.8Very high89.9Confident18 Ų1816.7 Ų16.711%0.10910%0.099CC..Hα-helixtrans-67.3-50.6-166.8166.90000111.5L335 L338 G403 L457L335-V407 HydrophobicContact CD2-CG1 3.57Å; L335-V407 HydrophobicContact CG-CG1 4.5Å; L338-V407 HydrophobicContact CB-CG1 4.36Å; L338-V407 HydrophobicContact CD1-CB 4.27Å; L338-V407 HydrophobicContact CD1-CG1 3.59Å; L338-V407 HydrophobicContact CD1-CG2 3.63Å; G403-V407 VanDerWaalsContact O-CB 3.24Å; G403-V407 WeakPolarHBondContact O-CB 3.33Å; G403-V407 WeakPolarHBondContact O-CG2 3.2Å; G403-V407 PolarHBondContact O-N 3.24Å; V407-L457 HydrophobicContact CB-CD2 4.45Å; V407-L457 HydrophobicContact CG1-CD1 4.38Å; V407-L457 HydrophobicContact CG1-CD2 4.3Å
408P94.9Very high91.2Very high0 Ų015.4 Ų15.40%09%0.093CC..Hα-helixtrans-67.5-34.4167.5-17.933000112.7D404 L410 L411 V412 Y436 L457 L460 T464D404-P408 WeakPolarHBondContact O-CD 3.36Å; D404-P408 VanDerWaalsContact O-CG 3.31Å; D404-P408 WeakPolarHBondContact O-CG 3.34Å; P408-L410 VanDerWaalsContact C-N 3.26Å; P408-L410 PolarHBondContact O-N 3.28Å; P408-L411 WeakPolarHBondContact O-CB 3.38Å; P408-L411 PolarHBondContact O-N 2.92Å; P408-V412 PolarHBondContact O-N 3.46Å; P408-V412 VanDerWaalsContact O-N 3.11Å; P408-Y436 HydrophobicContact CB-CD2 3.72Å; P408-Y436 HydrophobicContact CB-CE2 4.06Å; P408-Y436 HydrophobicContact CG-CD2 4.24Å; P408-Y436 HydrophobicContact CG-CE2 4.18Å; P408-L457 HydrophobicContact CG-CD2 4.23Å; P408-L460 HydrophobicContact CG-CB 3.95Å; P408-L460 HydrophobicContact CG-CD1 4.35Å; P408-T464 HydrophobicContact CB-CG2 4.32Å
409G96Very high92.1Very high0 Ų015.1 Ų15.10%09%0.091CC..Hα-helixtrans-59.9-32.9-179.800000113.9I405 L406 L411 V412 A413I405-G409 WeakPolarHBondContact O-CA 3.45Å; I405-G409 PolarHBondContact O-N 3.36Å; I405-G409 VanDerWaalsContact O-N 3.15Å; L406-G409 CarbonylContact O-C 3.59Å; L406-G409 PolarHBondContact O-N 3.2Å; L406-G409 VanDerWaalsContact O-N 3.17Å; G409-L411 VanDerWaalsContact C-N 3.3Å; G409-L411 PolarHBondContact O-N 3.15Å; G409-V412 PolarHBondContact O-N 3.23Å; G409-A413 WeakPolarHBondContact O-CB 3.28Å; G409-A413 PolarHBondContact O-N 3.08Å
410L94.8Very high92.5Very high20 Ų2011.5 Ų11.511%0.1057%0.072CC..Hα-helixtrans-64.5-32.5173.6-72171.5000112.7L320 V323 L325 L334 L406 P408 Y414L320-L410 HydrophobicContact CD2-CD2 4.01Å; L320-L410 HydrophobicContact CD2-CG 4.05Å; V323-L410 HydrophobicContact CB-CD2 3.9Å; V323-L410 HydrophobicContact CG1-CD1 4.11Å; V323-L410 HydrophobicContact CG1-CD2 3.89Å; L325-L410 HydrophobicContact CD1-CB 3.72Å; L325-L410 HydrophobicContact CG-CB 4.18Å; L334-L410 HydrophobicContact CD2-CD1 4.22Å; L406-L410 WeakPolarHBondContact O-CG 3.26Å; L406-L410 PolarHBondContact O-N 2.98Å; P408-L410 VanDerWaalsContact C-N 3.26Å; P408-L410 PolarHBondContact O-N 3.28Å; L410-Y414 PolarHBondContact O-N 3.29Å
411L95.8Very high92.3Very high0 Ų014.3 Ų14.30%09%0.087CC..Hα-helixtrans-73-39.4171.7168.663.9000111.6F328 C331 L335 P408 G409 A413 Y414 C415 L465F328-L411 HydrophobicContact CD2-CD1 3.74Å; F328-L411 HydrophobicContact CE2-CD1 3.63Å; C331-L411 HydrophobicContact CB-CD1 3.97Å; L335-L411 HydrophobicContact CD1-CB 3.84Å; L335-L411 HydrophobicContact CD1-CD2 3.64Å; L335-L411 HydrophobicContact CD1-CG 4.31Å; P408-L411 WeakPolarHBondContact O-CB 3.38Å; P408-L411 PolarHBondContact O-N 2.92Å; G409-L411 VanDerWaalsContact C-N 3.3Å; G409-L411 PolarHBondContact O-N 3.15Å; L411-A413 VanDerWaalsContact C-N 3.27Å; L411-A413 PolarHBondContact O-N 3.15Å; L411-Y414 HydrophobicContact CD1-CD1 4.44Å; L411-Y414 WeakPolarHBondContact O-CB 3.34Å; L411-Y414 PolarHBondContact O-N 2.89Å; L411-C415 WeakPolarHBondContact O-CB 3.23Å; L411-C415 PolarHBondContact O-N 2.64Å; L411-C415 PolarHBondContact O-SG 2.79Å; L411-L465 HydrophobicContact CD2-CD2 3.78Å; L411-L465 HydrophobicContact CD2-CG 4.33Å
412V96.8Very high92Very high0 Ų015.8 Ų15.80%09%0.092CC..Hα-helixtrans-61.9-39173.8-176.30000110.5V169 A173 P408 G409 C415 H416 F429 C432 T433V169-V412 HydrophobicContact CG1-CB 3.91Å; V169-V412 HydrophobicContact CG1-CG1 4.05Å; V169-V412 HydrophobicContact CG1-CG2 3.77Å; A173-V412 HydrophobicContact CB-CB 4.06Å; A173-V412 HydrophobicContact CB-CG1 3.66Å; P408-V412 PolarHBondContact O-N 3.46Å; P408-V412 VanDerWaalsContact O-N 3.11Å; G409-V412 PolarHBondContact O-N 3.23Å; V412-C415 PolarHBondContact O-N 2.84Å; V412-H416 PolarHBondContact O-N 2.91Å; V412-F429 HydrophobicContact CG1-CD2 3.73Å; V412-F429 HydrophobicContact CG1-CE2 3.84Å; V412-C432 HydrophobicContact CG2-CB 4.28Å; V412-T433 VanDerWaalsContact CG1-OG1 3.25Å; V412-T433 WeakPolarHBondContact CG1-OG1 3.29Å
413A94.9Very high91.4Very high10 Ų1022.3 Ų22.38%0.08312%0.123CC..Hα-helixtrans-64.6-41.4173.200000112.5A173 A176 G409 L411 R417A173-A413 HydrophobicContact CB-CB 3.95Å; A176-A413 HydrophobicContact CB-CB 4.09Å; G409-A413 WeakPolarHBondContact O-CB 3.28Å; G409-A413 PolarHBondContact O-N 3.08Å; L411-A413 VanDerWaalsContact C-N 3.27Å; L411-A413 PolarHBondContact O-N 3.15Å; A413-R417 WeakPolarHBondContact O-CB 3.43Å; A413-R417 PolarHBondContact O-N 3.06Å
414Y93.4Very high90.9Very high9 Ų921.6 Ų21.64%0.03511%0.112CC..Hα-helixtrans-61.1-45.6171.9177.8-95.9000111.9L325 F328 L410 L411 H416 R417 F418 F481 G484L325-Y414 WeakPolarHBondContact O-CD2 3.33Å; F328-Y414 HydrophobicContact CB-CD1 4.46Å; F328-Y414 HydrophobicContact CB-CE1 3.67Å; F328-Y414 HydrophobicContact CD2-CD1 4.44Å; F328-Y414 HydrophobicContact CD2-CE1 4.31Å; F328-Y414 HydrophobicContact CG-CE1 4.45Å; F328-Y414 VanDerWaalsContact N-CZ 3.27Å; F328-Y414 PolarHBondContact N-OH 3.19Å; F328-Y414 VanDerWaalsContact N-OH 3.14Å; L410-Y414 PolarHBondContact O-N 3.29Å; L411-Y414 HydrophobicContact CD1-CD1 4.44Å; L411-Y414 WeakPolarHBondContact O-CB 3.34Å; L411-Y414 PolarHBondContact O-N 2.89Å; Y414-H416 PolarHBondContact O-N 3.47Å; Y414-R417 WeakPolarHBondContact O-CB 3.41Å; Y414-R417 PolarHBondContact O-N 3.29Å; Y414-F418 WeakPolarHBondContact O-CB 3.24Å; Y414-F418 PolarHBondContact O-N 2.93Å; Y414-F481 HydrophobicContact CD1-CE2 4.14Å; Y414-F481 HydrophobicContact CD1-CZ 4.33Å; Y414-F481 HydrophobicContact CE1-CD2 4.04Å; Y414-F481 AromaticContact CE1-CE2 3.66Å; Y414-F481 HydrophobicContact CE1-CE2 3.66Å; Y414-F481 HydrophobicContact CE1-CZ 4.04Å; Y414-F481 PolarHBondContact OH-O 3.11Å; Y414-G484 WeakPolarHBondContact OH-CA 3.16Å
415C94.1Very high90.4Very high0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-58.8-47178-70.70000111.8L411 V412 R417 F418 D419 C432L411-C415 WeakPolarHBondContact O-CB 3.23Å; L411-C415 PolarHBondContact O-N 2.64Å; L411-C415 PolarHBondContact O-SG 2.79Å; V412-C415 PolarHBondContact O-N 2.84Å; C415-R417 PolarHBondContact O-N 2.94Å; C415-F418 WeakPolarHBondContact O-CB 3Å; C415-F418 PolarHBondContact O-N 3.09Å; C415-D419 PolarHBondContact O-N 3.15Å; C415-C432 HydrophobicContact CB-CB 4.21Å
416H92.9Very high90.1Very high2 Ų230.4 Ų30.41%0.00916%0.159CC..Hα-helixtrans-64.8-38.6175.7-173.2-136.4000113.2A173 Y174 V412 Y414 F418 D419 I420 F429A173-H416 PolarHBondContact O-ND1 2.8Å; Y174-H416 WeakPolarHBondContact CA-ND1 3.4Å; Y174-H416 AromaticContact CD2-CE1 3.3Å; Y174-H416 WeakPolarHBondContact CD2-CE1 3.46Å; Y174-H416 AromaticContact CD2-NE2 3.57Å; Y174-H416 AromaticContact CE2-CE1 3.81Å; Y174-H416 AromaticContact CE2-NE2 3.85Å; Y174-H416 PolarHBondContact O-CE1 3.45Å; Y174-H416 VanDerWaalsContact O-CE1 3.24Å; Y174-H416 PolarHBondContact O-ND1 3.36Å; V412-H416 PolarHBondContact O-N 2.91Å; Y414-H416 PolarHBondContact O-N 3.47Å; H416-F418 VanDerWaalsContact C-N 3.3Å; H416-F418 PolarHBondContact O-N 2.95Å; H416-D419 PolarHBondContact O-N 3.04Å; H416-I420 VanDerWaalsContact O-CG1 3.28Å; H416-I420 WeakPolarHBondContact O-CG1 3.27Å; H416-I420 PolarHBondContact O-N 2.99Å; H416-F429 HydrophobicContact CB-CB 3.81Å; H416-F429 HydrophobicContact CB-CD2 3.69Å; H416-F429 HydrophobicContact CB-CG 3.88Å; H416-F429 AromaticContact CD2-CG 3.9Å
417R88.9Confident90.1Very high33 Ų3332.4 Ų32.413%0.12517%0.169CC..Hα-helixtrans-62.6-38.3172.8-179.7-178.7171.8-145.3-7.8111.4D180 R324 L325 A413 Y414 C415 I420 L421D180-R417 WeakPolarHBondContact OD2-CD 3.21Å; D180-R417 IonicContact OD2-CZ 3.19Å; D180-R417 IonicContact OD2-NE 3.83Å; D180-R417 PolarHBondContact OD2-NE 3.46Å; R324-R417 VanDerWaalsContact CZ-NH2 3.32Å; L325-R417 PolarHBondContact O-NH1 3.42Å; A413-R417 WeakPolarHBondContact O-CB 3.43Å; A413-R417 PolarHBondContact O-N 3.06Å; Y414-R417 WeakPolarHBondContact O-CB 3.41Å; Y414-R417 PolarHBondContact O-N 3.29Å; C415-R417 PolarHBondContact O-N 2.94Å; R417-I420 PolarHBondContact O-N 3.46Å; R417-L421 HydrophobicContact CG-CD1 4.2Å; R417-L421 WeakPolarHBondContact O-CG 3.33Å; R417-L421 PolarHBondContact O-N 3.03Å
418F89.6Confident90.1Very high5 Ų531.6 Ų31.62%0.02216%0.164CC..Hα-helixtrans-67.1-45.3176.8-171.5-96.9000112.2Y414 C415 H416 I420 L421 T422 Y428 Q480 F481Y414-F418 WeakPolarHBondContact O-CB 3.24Å; Y414-F418 PolarHBondContact O-N 2.93Å; C415-F418 WeakPolarHBondContact O-CB 3Å; C415-F418 PolarHBondContact O-N 3.09Å; H416-F418 VanDerWaalsContact C-N 3.3Å; H416-F418 PolarHBondContact O-N 2.95Å; F418-I420 VanDerWaalsContact C-N 3.26Å; F418-I420 PolarHBondContact O-N 3.03Å; F418-L421 CarbonylContact O-C 3.54Å; F418-L421 WeakPolarHBondContact O-CA 3.33Å; F418-L421 WeakPolarHBondContact O-CB 3.4Å; F418-L421 PolarHBondContact O-N 3.2Å; F418-T422 HydrophobicContact CD1-CG2 4.17Å; F418-T422 HydrophobicContact CE1-CG2 3.57Å; F418-T422 HydrophobicContact CE2-CG2 4.15Å; F418-T422 HydrophobicContact CZ-CG2 3.56Å; F418-T422 PolarHBondContact O-N 3.19Å; F418-T422 PolarHBondContact O-OG1 3.02Å; F418-Y428 AromaticContact CD1-CD2 3.84Å; F418-Y428 HydrophobicContact CD1-CD2 3.84Å; F418-Y428 AromaticContact CD1-CE2 3.73Å; F418-Y428 HydrophobicContact CD1-CE2 3.73Å; F418-Y428 HydrophobicContact CD1-CG 4.35Å; F418-Y428 HydrophobicContact CE1-CD2 4.25Å; F418-Y428 AromaticContact CE1-CE2 3.66Å; F418-Y428 HydrophobicContact CE1-CE2 3.66Å; F418-Y428 AromaticContact CE1-CZ 3.86Å; F418-Q480 HydrophobicContact CE2-CB 4.46Å; F418-Q480 HydrophobicContact CZ-CB 4.3Å; F418-F481 HydrophobicContact CB-CD2 4.37Å; F418-F481 HydrophobicContact CB-CE2 4.31Å; F418-F481 AromaticContact CD1-CD2 3.6Å; F418-F481 HydrophobicContact CD1-CD2 3.6Å; F418-F481 HydrophobicContact CD1-CE2 4.1Å; F418-F481 AromaticContact CD2-CD2 3.94Å; F418-F481 HydrophobicContact CD2-CD2 3.94Å; F418-F481 HydrophobicContact CE1-CB 4.34Å; F418-F481 AromaticContact CE1-CD2 3.77Å; F418-F481 HydrophobicContact CE1-CD2 3.77Å; F418-F481 HydrophobicContact CE2-CB 4.24Å; F418-F481 HydrophobicContact CE2-CD2 4.11Å; F418-F481 AromaticContact CG-CD2 3.69Å; F418-F481 HydrophobicContact CG-CD2 3.69Å; F418-F481 HydrophobicContact CG-CE2 4.11Å; F418-F481 HydrophobicContact CZ-CB 3.96Å; F418-F481 HydrophobicContact CZ-CD2 4.03Å
419D90.7Very high90.1Very high1 Ų132.7 Ų32.71%0.00517%0.169CC..Hα-helixtrans-54.1-43.6173.3-79.8-61.4000112C415 H416 L421 T422 Q423 S424 R426 I427 Y428 F429C415-D419 PolarHBondContact O-N 3.15Å; H416-D419 PolarHBondContact O-N 3.04Å; D419-L421 VanDerWaalsContact C-N 3.27Å; D419-L421 PolarHBondContact O-N 3.24Å; D419-T422 PolarHBondContact O-N 3.3Å; D419-T422 PolarHBondContact O-OG1 3.46Å; D419-Q423 CarbonylContact O-C 3.6Å; D419-Q423 WeakPolarHBondContact O-CA 3.43Å; D419-Q423 PolarHBondContact O-N 3.47Å; D419-S424 PolarHBondContact O-N 2.82Å; D419-S424 WeakPolarHBondContact OD1-CB 3Å; D419-S424 PolarHBondContact OD1-OG 2.95Å; D419-R426 VanDerWaalsContact CG-C 3.48Å; D419-R426 VanDerWaalsContact OD2-CA 3.27Å; D419-R426 WeakPolarHBondContact OD2-CA 3.32Å; D419-I427 PolarHBondContact OD1-N 2.78Å; D419-I427 PolarHBondContact OD2-N 3.47Å; D419-Y428 WeakPolarHBondContact OD1-CD2 3.34Å; D419-Y428 PolarHBondContact OD1-N 3.12Å; D419-Y428 WeakPolarHBondContact OD2-CA 3.38Å; D419-Y428 WeakPolarHBondContact OD2-CB 3.4Å; D419-Y428 PolarHBondContact OD2-N 3.43Å; D419-F429 PolarHBondContact OD2-N 3.17Å
420I87.6Confident90.2Very high21 Ų2136.1 Ų36.111%0.10819%0.19CC..Hα-helixtrans-72.8-20.2177.8-57.5167.4000111.2G177 R181 R184 H416 R417 F418 Q423G177-I420 VanDerWaalsContact C-CD1 3.45Å; G177-I420 WeakPolarHBondContact O-CD1 3.21Å; R181-I420 HydrophobicContact CB-CD1 4.46Å; R181-I420 HydrophobicContact CB-CG2 3.77Å; R181-I420 HydrophobicContact CG-CG2 3.79Å; R184-I420 PolarHBondContact NH2-O 2.83Å; H416-I420 VanDerWaalsContact O-CG1 3.28Å; H416-I420 WeakPolarHBondContact O-CG1 3.27Å; H416-I420 PolarHBondContact O-N 2.99Å; R417-I420 PolarHBondContact O-N 3.46Å; F418-I420 VanDerWaalsContact C-N 3.26Å; F418-I420 PolarHBondContact O-N 3.03Å; I420-Q423 PolarHBondContact O-NE2 3.07Å
421L83.2Confident90.2Very high69 Ų6936.2 Ų36.236%0.36119%0.194SC..Hα-helixtrans-76.2-45.8171.1-75.8160.5000110.8R417 F418 D419R417-L421 HydrophobicContact CG-CD1 4.2Å; R417-L421 WeakPolarHBondContact O-CG 3.33Å; R417-L421 PolarHBondContact O-N 3.03Å; F418-L421 CarbonylContact O-C 3.54Å; F418-L421 WeakPolarHBondContact O-CA 3.33Å; F418-L421 WeakPolarHBondContact O-CB 3.4Å; F418-L421 PolarHBondContact O-N 3.2Å; D419-L421 VanDerWaalsContact C-N 3.27Å; D419-L421 PolarHBondContact O-N 3.24Å
422T82.9Confident90.3Very high47 Ų4736.2 Ų36.229%0.28819%0.194SC..Hα-helixtrans-84-2.6-17954.40000115F418 D419 S424F418-T422 HydrophobicContact CD1-CG2 4.17Å; F418-T422 HydrophobicContact CE1-CG2 3.57Å; F418-T422 HydrophobicContact CE2-CG2 4.15Å; F418-T422 HydrophobicContact CZ-CG2 3.56Å; F418-T422 PolarHBondContact O-N 3.19Å; F418-T422 PolarHBondContact O-OG1 3.02Å; D419-T422 PolarHBondContact O-N 3.3Å; D419-T422 PolarHBondContact O-OG1 3.46Å; T422-S424 PolarHBondContact O-N 2.8Å; T422-S424 WeakPolarHBondContact OG1-CB 3.4Å
423Q79.8Confident90.3Very high146 Ų14637 Ų3768%0.68220%0.199SC*.THydrogen-bonded Turntrans59.423.3-169.7-57-57.7-7900113.8D419 I420D419-Q423 CarbonylContact O-C 3.6Å; D419-Q423 WeakPolarHBondContact O-CA 3.43Å; D419-Q423 PolarHBondContact O-N 3.47Å; I420-Q423 PolarHBondContact O-NE2 3.07Å
424S79.1Confident90.4Very high22 Ų2241.3 Ų41.315%0.15422%0.219CC..  trans-69.3151.2174.1163.30000111.9D419 T422 R426D419-S424 PolarHBondContact O-N 2.82Å; D419-S424 WeakPolarHBondContact OD1-CB 3Å; D419-S424 PolarHBondContact OD1-OG 2.95Å; T422-S424 PolarHBondContact O-N 2.8Å; T422-S424 WeakPolarHBondContact OG1-CB 3.4Å; S424-R426 PolarHBondContact O-N 2.04Å
425S82.2Confident90.6Very high104 Ų10441 Ų4173%0.72722%0.218SC*.  trans-72.741.2-178.3-49.80000114.3I427S425-I427 VanDerWaalsContact C-N 3.27Å; S425-I427 PolarHBondContact O-N 2.91Å
426R88.7Confident90.8Very high108 Ų10841 Ų4141%0.40822%0.218SC..SBendtrans61.328.8-178.6-51.4-176-165.6160.25.2114.5D419 S424 F429 V430D419-R426 VanDerWaalsContact CG-C 3.48Å; D419-R426 VanDerWaalsContact OD2-CA 3.27Å; D419-R426 WeakPolarHBondContact OD2-CA 3.32Å; S424-R426 PolarHBondContact O-N 2.04Å; R426-F429 HydrophobicContact CB-CB 4.31Å; R426-F429 HydrophobicContact CB-CD1 4.22Å; R426-F429 PolarHBondContact O-N 3.2Å; R426-V430 WeakPolarHBondContact O-CG2 3.44Å; R426-V430 PolarHBondContact O-N 3Å
427I92.8Very high91Very high66 Ų6641.3 Ų41.334%0.33822%0.222SC..Hα-helixtrans-73.9-37.7-170.3-67.6168.6000111.3D419 S425 A431 V471D419-I427 PolarHBondContact OD1-N 2.78Å; D419-I427 PolarHBondContact OD2-N 3.47Å; S425-I427 VanDerWaalsContact C-N 3.27Å; S425-I427 PolarHBondContact O-N 2.91Å; I427-A431 WeakPolarHBondContact O-CB 3.33Å; I427-A431 PolarHBondContact O-N 3.45Å; I427-V471 HydrophobicContact CG2-CG1 4.33Å
428Y93.7Very high91.3Very high1 Ų144 Ų440%0.00424%0.238CC..Hα-helixtrans-67.7-41.7172.8-69-89.5000111.2F418 D419 C432 V471 A472 E477 F481F418-Y428 AromaticContact CD1-CD2 3.84Å; F418-Y428 HydrophobicContact CD1-CD2 3.84Å; F418-Y428 AromaticContact CD1-CE2 3.73Å; F418-Y428 HydrophobicContact CD1-CE2 3.73Å; F418-Y428 HydrophobicContact CD1-CG 4.35Å; F418-Y428 HydrophobicContact CE1-CD2 4.25Å; F418-Y428 AromaticContact CE1-CE2 3.66Å; F418-Y428 HydrophobicContact CE1-CE2 3.66Å; F418-Y428 AromaticContact CE1-CZ 3.86Å; D419-Y428 WeakPolarHBondContact OD1-CD2 3.34Å; D419-Y428 PolarHBondContact OD1-N 3.12Å; D419-Y428 WeakPolarHBondContact OD2-CA 3.38Å; D419-Y428 WeakPolarHBondContact OD2-CB 3.4Å; D419-Y428 PolarHBondContact OD2-N 3.43Å; Y428-C432 WeakPolarHBondContact O-CB 3.24Å; Y428-C432 PolarHBondContact O-N 3.07Å; Y428-V471 HydrophobicContact CD1-CB 4.18Å; Y428-V471 HydrophobicContact CD1-CG1 3.72Å; Y428-V471 HydrophobicContact CE1-CB 4.08Å; Y428-V471 HydrophobicContact CE1-CG1 3.59Å; Y428-V471 HydrophobicContact CE2-CG1 4.46Å; Y428-V471 HydrophobicContact CG-CG1 4.23Å; Y428-A472 HydrophobicContact CE1-CB 3.99Å; Y428-E477 WeakPolarHBondContact CE2-OE2 3.41Å; Y428-E477 VanDerWaalsContact CZ-OE2 3.29Å; Y428-E477 PolarHBondContact OH-OE2 2.81Å; Y428-F481 HydrophobicContact CD1-CD2 4.28Å; Y428-F481 AromaticContact CD1-CE2 3.82Å; Y428-F481 HydrophobicContact CD1-CE2 3.82Å; Y428-F481 HydrophobicContact CD1-CZ 4.15Å; Y428-F481 HydrophobicContact CE1-CD2 4.03Å; Y428-F481 HydrophobicContact CE1-CE2 4.02Å; Y428-F481 HydrophobicContact CE1-CG 4.43Å; Y428-F481 HydrophobicContact CE1-CZ 4.4Å; Y428-F481 HydrophobicContact CG-CE2 4.44Å
429F95.3Very high91.6Very high22 Ų2243.8 Ų43.810%0.09624%0.237CC..Hα-helixtrans-58.4-53.4175.5171-119000112.4A170 A173 V412 H416 D419 R426 C432 T433A170-F429 HydrophobicContact CB-CZ 4.49Å; A173-F429 HydrophobicContact CB-CD2 4.35Å; A173-F429 HydrophobicContact CB-CE2 3.89Å; V412-F429 HydrophobicContact CG1-CD2 3.73Å; V412-F429 HydrophobicContact CG1-CE2 3.84Å; H416-F429 HydrophobicContact CB-CB 3.81Å; H416-F429 HydrophobicContact CB-CD2 3.69Å; H416-F429 HydrophobicContact CB-CG 3.88Å; H416-F429 AromaticContact CD2-CG 3.9Å; D419-F429 PolarHBondContact OD2-N 3.17Å; R426-F429 HydrophobicContact CB-CB 4.31Å; R426-F429 HydrophobicContact CB-CD1 4.22Å; R426-F429 PolarHBondContact O-N 3.2Å; F429-C432 PolarHBondContact O-N 2.68Å; F429-T433 WeakPolarHBondContact CE2-OG1 3.34Å; F429-T433 WeakPolarHBondContact O-CB 3.24Å; F429-T433 PolarHBondContact O-N 2.82Å; F429-T433 PolarHBondContact O-OG1 2.83Å
430V96.3Very high91.7Very high72 Ų7243.7 Ų43.744%0.43624%0.237SC..Hα-helixtrans-64.8-47.5-177.6171.80000110.5R426 C432 T433 I434R426-V430 WeakPolarHBondContact O-CG2 3.44Å; R426-V430 PolarHBondContact O-N 3Å; V430-C432 PolarHBondContact O-N 2.78Å; V430-T433 PolarHBondContact O-N 2.99Å; V430-I434 HydrophobicContact CG1-CD1 3.72Å; V430-I434 HydrophobicContact CG1-CG1 4.45Å; V430-I434 WeakPolarHBondContact O-CG1 3.43Å; V430-I434 PolarHBondContact O-N 3.5Å
431A96.6Very high91.9Very high22 Ų2247 Ų4718%0.18225%0.254CS..Hα-helixtrans-60.9-43.4178.500000112.4I427 I434 A435 T467 V471I427-A431 WeakPolarHBondContact O-CB 3.33Å; I427-A431 PolarHBondContact O-N 3.45Å; A431-I434 PolarHBondContact O-N 2.63Å; A431-A435 WeakPolarHBondContact O-CB 3.42Å; A431-A435 PolarHBondContact O-N 2.91Å; A431-T467 HydrophobicContact CB-CG2 4.15Å; A431-V471 HydrophobicContact CB-CG2 3.94Å
432C96.8Very high92.3Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-71.4-30.3178.6-161.60000112.9V412 C415 Y428 F429 V430 Y436V412-C432 HydrophobicContact CG2-CB 4.28Å; C415-C432 HydrophobicContact CB-CB 4.21Å; Y428-C432 WeakPolarHBondContact O-CB 3.24Å; Y428-C432 PolarHBondContact O-N 3.07Å; F429-C432 PolarHBondContact O-N 2.68Å; V430-C432 PolarHBondContact O-N 2.78Å; C432-Y436 WeakPolarHBondContact O-CB 3.27Å; C432-Y436 PolarHBondContact O-N 3.29Å
433T97.4Very high92.6Very high18 Ų1845 Ų4511%0.1124%0.241CC..Hα-helixtrans-70.9-41.4174.3-540000111.3V166 A170 V412 F429 V430 Y436 G437V166-T433 HydrophobicContact CG1-CG2 4.48Å; A170-T433 HydrophobicContact CB-CG2 4Å; V412-T433 VanDerWaalsContact CG1-OG1 3.25Å; V412-T433 WeakPolarHBondContact CG1-OG1 3.29Å; F429-T433 WeakPolarHBondContact CE2-OG1 3.34Å; F429-T433 WeakPolarHBondContact O-CB 3.24Å; F429-T433 PolarHBondContact O-N 2.82Å; F429-T433 PolarHBondContact O-OG1 2.83Å; V430-T433 PolarHBondContact O-N 2.99Å; T433-Y436 WeakPolarHBondContact O-CB 3.39Å; T433-Y436 PolarHBondContact O-N 2.98Å; T433-G437 PolarHBondContact O-N 3.45Å
434I97.3Very high92.8Very high99 Ų9938.9 Ų38.951%0.50821%0.213SC..Hα-helixtrans-63.6-43.9173.4-68.1168.2000110.1V430 A431 Y436 G437 I438V430-I434 HydrophobicContact CG1-CD1 3.72Å; V430-I434 HydrophobicContact CG1-CG1 4.45Å; V430-I434 WeakPolarHBondContact O-CG1 3.43Å; V430-I434 PolarHBondContact O-N 3.5Å; A431-I434 PolarHBondContact O-N 2.63Å; I434-Y436 VanDerWaalsContact C-N 3.31Å; I434-Y436 PolarHBondContact O-N 2.86Å; I434-G437 PolarHBondContact O-N 2.97Å; I434-G437 VanDerWaalsContact O-N 3.15Å; I434-I438 HydrophobicContact CG2-CD1 3.77Å; I434-I438 HydrophobicContact CG2-CG1 4.35Å; I434-I438 WeakPolarHBondContact O-CG1 3.49Å; I434-I438 PolarHBondContact O-N 2.93Å
435A97.4Very high93.1Very high2 Ų241.3 Ų41.32%0.01723%0.226CC..Hα-helixtrans-62.8-35176.500000113.5A431 G439 C463 T464 T467A431-A435 WeakPolarHBondContact O-CB 3.42Å; A431-A435 PolarHBondContact O-N 2.91Å; A435-G439 PolarHBondContact O-N 3.46Å; A435-C463 WeakPolarHBondContact O-CB 3.3Å; A435-T464 HydrophobicContact CB-CG2 4.43Å; A435-T467 HydrophobicContact CB-CG2 3.96Å; A435-T467 WeakPolarHBondContact CB-OG1 3.33Å
436Y97.8Very high93.1Very high0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-62.9-47.7170.6172.3-98.3000111.3V166 V169 D404 P408 C432 T433 I434 I438 G439 L440 L460V166-Y436 HydrophobicContact CB-CE1 4.48Å; V166-Y436 HydrophobicContact CG2-CD1 4.04Å; V166-Y436 HydrophobicContact CG2-CE1 3.91Å; V169-Y436 HydrophobicContact CB-CD1 4.21Å; V169-Y436 HydrophobicContact CB-CE1 4.1Å; V169-Y436 HydrophobicContact CG1-CD1 4.26Å; V169-Y436 HydrophobicContact CG1-CG 4.41Å; V169-Y436 HydrophobicContact CG2-CD1 4.14Å; V169-Y436 HydrophobicContact CG2-CE1 3.66Å; V169-Y436 HydrophobicContact CG2-CE2 4.08Å; D404-Y436 WeakPolarHBondContact O-CE2 3.48Å; P408-Y436 HydrophobicContact CB-CD2 3.72Å; P408-Y436 HydrophobicContact CB-CE2 4.06Å; P408-Y436 HydrophobicContact CG-CD2 4.24Å; P408-Y436 HydrophobicContact CG-CE2 4.18Å; C432-Y436 WeakPolarHBondContact O-CB 3.27Å; C432-Y436 PolarHBondContact O-N 3.29Å; T433-Y436 WeakPolarHBondContact O-CB 3.39Å; T433-Y436 PolarHBondContact O-N 2.98Å; I434-Y436 VanDerWaalsContact C-N 3.31Å; I434-Y436 PolarHBondContact O-N 2.86Å; Y436-I438 PolarHBondContact O-N 3.35Å; Y436-G439 PolarHBondContact O-N 3.2Å; Y436-L440 HydrophobicContact CE1-CD2 4.25Å; Y436-L440 WeakPolarHBondContact O-CB 3.39Å; Y436-L440 PolarHBondContact O-N 3.33Å; Y436-L460 HydrophobicContact CD2-CD2 3.82Å; Y436-L460 HydrophobicContact CE2-CD2 3.8Å
437G96.8Very high92.6Very high9 Ų934.8 Ų34.89%0.09319%0.192CC..Hα-helixtrans-59.6-45.3175.500000113F162 T433 I434 L440 L441F162-G437 WeakPolarHBondContact CE2-O 3.39Å; T433-G437 PolarHBondContact O-N 3.45Å; I434-G437 PolarHBondContact O-N 2.97Å; I434-G437 VanDerWaalsContact O-N 3.15Å; G437-L440 PolarHBondContact O-N 2.89Å; G437-L441 WeakPolarHBondContact O-CB 3.33Å; G437-L441 PolarHBondContact O-N 3.37Å
438I96.3Very high91.6Very high90 Ų9033 Ų3346%0.46219%0.187SC..Hα-helixtrans-62-45.4176.2-68169.4000110.7I434 Y436 L440 L441 I442I434-I438 HydrophobicContact CG2-CD1 3.77Å; I434-I438 HydrophobicContact CG2-CG1 4.35Å; I434-I438 WeakPolarHBondContact O-CG1 3.49Å; I434-I438 PolarHBondContact O-N 2.93Å; Y436-I438 PolarHBondContact O-N 3.35Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 3.02Å; I438-L441 PolarHBondContact O-N 2.92Å; I438-I442 HydrophobicContact CG2-CD1 3.86Å; I438-I442 VanDerWaalsContact O-CG1 3.27Å; I438-I442 WeakPolarHBondContact O-CG1 3.38Å; I438-I442 PolarHBondContact O-N 3.22Å
439G95.2Very high90.7Very high0 Ų039 Ų390%022%0.219CC..Hα-helixtrans-59.2-43175.700000112.7A435 Y436 I442 T443A435-G439 PolarHBondContact O-N 3.46Å; Y436-G439 PolarHBondContact O-N 3.2Å; G439-I442 PolarHBondContact O-N 3.49Å; G439-T443 PolarHBondContact O-N 3.01Å
440L93.4Very high89.3Confident0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-67.3-40.9178.6-16967.2000111.7F162 A165 V166 L400 Y436 G437 I438 I442 T443 F444 L460F162-L440 HydrophobicContact CD2-CB 4.39Å; F162-L440 HydrophobicContact CD2-CD2 3.83Å; F162-L440 HydrophobicContact CD2-CG 4.18Å; F162-L440 HydrophobicContact CE2-CB 4.4Å; F162-L440 HydrophobicContact CE2-CD2 4.43Å; F162-L440 HydrophobicContact CG-CD2 4.49Å; A165-L440 HydrophobicContact CB-CD2 3.78Å; V166-L440 HydrophobicContact CG2-CD2 4.24Å; L400-L440 HydrophobicContact CD1-CD1 3.88Å; L400-L440 HydrophobicContact CD2-CD1 4.03Å; L400-L440 HydrophobicContact CD2-CD2 4.46Å; Y436-L440 HydrophobicContact CE1-CD2 4.25Å; Y436-L440 WeakPolarHBondContact O-CB 3.39Å; Y436-L440 PolarHBondContact O-N 3.33Å; G437-L440 PolarHBondContact O-N 2.89Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 3.02Å; L440-I442 VanDerWaalsContact C-N 3.3Å; L440-I442 PolarHBondContact O-N 2.88Å; L440-T443 PolarHBondContact O-N 3.16Å; L440-T443 VanDerWaalsContact O-N 3.12Å; L440-T443 PolarHBondContact O-OG1 2.93Å; L440-F444 HydrophobicContact CD1-CE2 4.14Å; L440-F444 HydrophobicContact CD1-CZ 3.93Å; L440-F444 HydrophobicContact CD2-CE2 4.05Å; L440-F444 HydrophobicContact CD2-CZ 4.34Å; L440-F444 HydrophobicContact CG-CD2 4.35Å; L440-F444 HydrophobicContact CG-CE2 3.63Å; L440-F444 HydrophobicContact CG-CZ 3.93Å; L440-F444 WeakPolarHBondContact O-CD2 3.47Å; L440-F444 PolarHBondContact O-N 3.29Å; L440-F444 VanDerWaalsContact O-N 3.08Å; L440-L460 HydrophobicContact CB-CD2 3.94Å; L440-L460 HydrophobicContact CD1-CD2 4.39Å
441L91.9Very high87.8Confident89 Ų8943.7 Ų43.747%0.46624%0.237SC..Hα-helixtrans-60.4-41.5173-177.562.4000111.3F162 G437 I438 T443 F444 V445F162-L441 HydrophobicContact CE2-CB 4.24Å; G437-L441 WeakPolarHBondContact O-CB 3.33Å; G437-L441 PolarHBondContact O-N 3.37Å; I438-L441 PolarHBondContact O-N 2.92Å; L441-T443 VanDerWaalsContact C-N 3.34Å; L441-T443 PolarHBondContact O-N 3.34Å; L441-F444 PolarHBondContact O-N 3.47Å; L441-V445 WeakPolarHBondContact O-CG2 3.38Å; L441-V445 PolarHBondContact O-N 2.99Å
442I91.2Very high86.1Confident71 Ų7145.7 Ų45.736%0.36424%0.243SC..Hα-helixtrans-64.1-37.7174.5-64.4163.7000111I438 G439 L440 F444 V445 A446 Y459I438-I442 HydrophobicContact CG2-CD1 3.86Å; I438-I442 VanDerWaalsContact O-CG1 3.27Å; I438-I442 WeakPolarHBondContact O-CG1 3.38Å; I438-I442 PolarHBondContact O-N 3.22Å; G439-I442 PolarHBondContact O-N 3.49Å; L440-I442 VanDerWaalsContact C-N 3.3Å; L440-I442 PolarHBondContact O-N 2.88Å; I442-F444 PolarHBondContact O-N 3.39Å; I442-V445 PolarHBondContact O-N 3.26Å; I442-A446 VanDerWaalsContact O-CB 3.27Å; I442-A446 WeakPolarHBondContact O-CB 3.18Å; I442-A446 PolarHBondContact O-N 3.09Å; I442-Y459 HydrophobicContact CG2-CD1 3.42Å; I442-Y459 VanDerWaalsContact CG2-CD1 3.42Å; I442-Y459 HydrophobicContact CG2-CE1 4.01Å; I442-Y459 HydrophobicContact CG2-CG 4.04Å
443T88.5Confident84.6Confident3 Ų347.8 Ų47.82%0.01827%0.265CS..Hα-helixtrans-60.7-42.7173.362.60000112.3G439 L440 L441 A446 L447 A456 Y459 L460G439-T443 PolarHBondContact O-N 3.01Å; L440-T443 PolarHBondContact O-N 3.16Å; L440-T443 VanDerWaalsContact O-N 3.12Å; L440-T443 PolarHBondContact O-OG1 2.93Å; L441-T443 VanDerWaalsContact C-N 3.34Å; L441-T443 PolarHBondContact O-N 3.34Å; T443-A446 PolarHBondContact O-N 2.92Å; T443-L447 WeakPolarHBondContact O-CB 3.35Å; T443-L447 VanDerWaalsContact O-CG 3.25Å; T443-L447 WeakPolarHBondContact O-CG 3.33Å; T443-L447 PolarHBondContact O-N 3.23Å; T443-A456 HydrophobicContact CG2-CB 4.06Å; T443-A456 WeakPolarHBondContact CG2-O 3.23Å; T443-Y459 HydrophobicContact CG2-CD2 3.86Å; T443-Y459 HydrophobicContact CG2-CG 4.18Å; T443-L460 HydrophobicContact CG2-CG 4.3Å
444F85.1Confident83.6Confident19 Ų1948.6 Ų48.68%0.08327%0.268CS..Hα-helixtrans-69.6-39.5179.7-62.7-43000112.3M158 I161 F162 L440 L441 I442 L447 A448M158-F444 HydrophobicContact SD-CD1 4.05Å; M158-F444 HydrophobicContact SD-CE1 4.31Å; I161-F444 HydrophobicContact CG2-CE1 4.31Å; I161-F444 HydrophobicContact CG2-CE2 4.33Å; I161-F444 HydrophobicContact CG2-CZ 3.73Å; F162-F444 HydrophobicContact CB-CE2 3.96Å; F162-F444 HydrophobicContact CD2-CD2 4.45Å; F162-F444 HydrophobicContact CD2-CE2 4.13Å; L440-F444 HydrophobicContact CD1-CE2 4.14Å; L440-F444 HydrophobicContact CD1-CZ 3.93Å; L440-F444 HydrophobicContact CD2-CE2 4.05Å; L440-F444 HydrophobicContact CD2-CZ 4.34Å; L440-F444 HydrophobicContact CG-CD2 4.35Å; L440-F444 HydrophobicContact CG-CE2 3.63Å; L440-F444 HydrophobicContact CG-CZ 3.93Å; L440-F444 WeakPolarHBondContact O-CD2 3.47Å; L440-F444 PolarHBondContact O-N 3.29Å; L440-F444 VanDerWaalsContact O-N 3.08Å; L441-F444 PolarHBondContact O-N 3.47Å; I442-F444 PolarHBondContact O-N 3.39Å; F444-L447 HydrophobicContact CD1-CD1 4.26Å; F444-L447 PolarHBondContact O-N 2.87Å; F444-A448 WeakPolarHBondContact O-CB 3.41Å; F444-A448 PolarHBondContact O-N 3.24Å
445V84.4Confident83Confident73 Ų7344 Ų4444%0.44224%0.244SC..Hα-helixtrans-63.7-41172.8172.90000111.1L441 I442 A448 L449L441-V445 WeakPolarHBondContact O-CG2 3.38Å; L441-V445 PolarHBondContact O-N 2.99Å; I442-V445 PolarHBondContact O-N 3.26Å; V445-A448 PolarHBondContact O-N 2.96Å; V445-L449 HydrophobicContact CG1-CD1 3.75Å; V445-L449 HydrophobicContact CG1-CG 4.34Å; V445-L449 WeakPolarHBondContact O-CB 3.44Å; V445-L449 VanDerWaalsContact O-CG 3.28Å; V445-L449 WeakPolarHBondContact O-CG 3.36Å; V445-L449 PolarHBondContact O-N 3.35Å
446A83.3Confident82.5Confident9 Ų944.5 Ų44.57%0.07425%0.249CC..Hα-helixtrans-64.7-44175.500000111.9I442 T443 L449 M450 Q454 Y459I442-A446 VanDerWaalsContact O-CB 3.27Å; I442-A446 WeakPolarHBondContact O-CB 3.18Å; I442-A446 PolarHBondContact O-N 3.09Å; T443-A446 PolarHBondContact O-N 2.92Å; A446-L449 PolarHBondContact O-N 2.89Å; A446-M450 WeakPolarHBondContact O-CB 3.38Å; A446-M450 WeakPolarHBondContact O-CG 3.46Å; A446-M450 PolarHBondContact O-N 3.03Å; A446-Q454 HydrophobicContact CB-CG 4.31Å; A446-Y459 HydrophobicContact CB-CE1 4.26Å; A446-Y459 HydrophobicContact CB-CE2 4.06Å
447L77.8Confident82.1Confident65 Ų6545 Ų4534%0.3425%0.251SS..Hα-helixtrans-60.5-46.2175.6-72.5164.2000111.6T443 F444 L449 Q451 Q454T443-L447 WeakPolarHBondContact O-CB 3.35Å; T443-L447 VanDerWaalsContact O-CG 3.25Å; T443-L447 WeakPolarHBondContact O-CG 3.33Å; T443-L447 PolarHBondContact O-N 3.23Å; F444-L447 HydrophobicContact CD1-CD1 4.26Å; F444-L447 PolarHBondContact O-N 2.87Å; L447-L449 PolarHBondContact O-N 3.49Å; L447-Q451 PolarHBondContact O-N 2.86Å; L447-Q454 HydrophobicContact CD2-CB 3.87Å; L447-Q454 HydrophobicContact CD2-CG 4.15Å; L447-Q454 HydrophobicContact CG-CB 4.31Å
448A71.7Confident81.9Confident28 Ų2846.7 Ų46.723%0.23126%0.258CS..Hα-helixtrans-65.3-36.8179.700000113.5F444 V445 Q451F444-A448 WeakPolarHBondContact O-CB 3.41Å; F444-A448 PolarHBondContact O-N 3.24Å; V445-A448 PolarHBondContact O-N 2.96Å; A448-Q451 PolarHBondContact O-NE2 3.02Å
449L74Confident81.7Confident127 Ų12744.9 Ų44.967%0.66525%0.246SC*.Hα-helixtrans-80.5-32.9178.5-69.6175.2000113.6V445 A446 L447V445-L449 HydrophobicContact CG1-CD1 3.75Å; V445-L449 HydrophobicContact CG1-CG 4.34Å; V445-L449 WeakPolarHBondContact O-CB 3.44Å; V445-L449 VanDerWaalsContact O-CG 3.28Å; V445-L449 WeakPolarHBondContact O-CG 3.36Å; V445-L449 PolarHBondContact O-N 3.35Å; A446-L449 PolarHBondContact O-N 2.89Å; L447-L449 PolarHBondContact O-N 3.49Å
450M67.1Low81.7Confident65 Ų6544.9 Ų44.932%0.3225%0.246SC..Hα-helixtrans-91.4-19.9-175.2-59-61.4163.600113.5F3 A446 M452 Q454F3-M450 HydrophobicContact CD1-SD 4.13Å; F3-M450 HydrophobicContact CE1-CE 3.58Å; F3-M450 HydrophobicContact CE1-SD 3.49Å; F3-M450 WeakPolarHBondContact CE1-SD 3.49Å; F3-M450 HydrophobicContact CZ-CE 3.72Å; F3-M450 HydrophobicContact CZ-SD 4.25Å; A446-M450 WeakPolarHBondContact O-CB 3.38Å; A446-M450 WeakPolarHBondContact O-CG 3.46Å; A446-M450 PolarHBondContact O-N 3.03Å; M450-M452 HydrophobicContact CB-CB 4.5Å; M450-M452 VanDerWaalsContact O-CG 3.31Å; M450-M452 WeakPolarHBondContact O-CG 3.33Å; M450-M452 PolarHBondContact O-N 3.29Å; M450-Q454 HydrophobicContact CB-CG 4.4Å; M450-Q454 HydrophobicContact CG-CG 4.4Å
451Q64.3Low81.8Confident129 Ų12945.1 Ų45.160%0.60325%0.247SC*.  trans53.621.8-176.6-65-64.4-35.600114.3L447 A448L447-Q451 PolarHBondContact O-N 2.86Å; A448-Q451 PolarHBondContact O-NE2 3.02Å
452M61.8Low81.9Confident63 Ų6343 Ų4331%0.3124%0.238SC..SBendtrans-137.1148.4-172.5-71.5-69.9-89.100109.2Q6 V8 M450 Q454Q6-M452 HydrophobicContact CB-CE 3.99Å; Q6-M452 VanDerWaalsContact O-CE 3.27Å; Q6-M452 WeakPolarHBondContact O-CE 3.41Å; V8-M452 HydrophobicContact CB-SD 4.37Å; V8-M452 HydrophobicContact CG2-CE 3.99Å; V8-M452 HydrophobicContact CG2-SD 3.52Å; V8-M452 VanDerWaalsContact CG2-SD 3.52Å; M450-M452 HydrophobicContact CB-CB 4.5Å; M450-M452 VanDerWaalsContact O-CG 3.31Å; M450-M452 WeakPolarHBondContact O-CG 3.33Å; M450-M452 PolarHBondContact O-N 3.29Å; M452-Q454 PolarHBondContact O-N 2.85Å
453G64.8Low82.1Confident45 Ų4541 Ų4146%0.46423%0.23SC..  trans-58.1112.9176.200000111.3V346V346-G453 WeakPolarHBondContact CG1-O 3.3Å
454Q76.4Confident82.5Confident35 Ų3540.8 Ų40.816%0.16423%0.23CC..  trans-97.8138176.7-68.5-63.4-59.500110.3A446 L447 M450 M452 A456 Y459A446-Q454 HydrophobicContact CB-CG 4.31Å; L447-Q454 HydrophobicContact CD2-CB 3.87Å; L447-Q454 HydrophobicContact CD2-CG 4.15Å; L447-Q454 HydrophobicContact CG-CB 4.31Å; M450-Q454 HydrophobicContact CB-CG 4.4Å; M450-Q454 HydrophobicContact CG-CG 4.4Å; M452-Q454 PolarHBondContact O-N 2.85Å; Q454-A456 PolarHBondContact O-N 3.34Å; Q454-Y459 HydrophobicContact CB-CE2 4.36Å; Q454-Y459 PolarHBondContact OE1-OH 2.97Å
455P83.6Confident83Confident1 Ų140.9 Ų40.91%0.00623%0.231CC..  trans-63.5116.9169.724.3-28.6000109.3D342 V346 F347 L458D342-P455 HydrophobicContact CB-CB 4.06Å; D342-P455 WeakPolarHBondContact OD1-CB 3.44Å; D342-P455 VanDerWaalsContact OD2-CA 3.27Å; D342-P455 WeakPolarHBondContact OD2-CA 3.44Å; D342-P455 WeakPolarHBondContact OD2-CB 3.49Å; V346-P455 HydrophobicContact CB-CB 4.27Å; V346-P455 HydrophobicContact CB-CG 4.43Å; V346-P455 HydrophobicContact CG2-CB 4.05Å; F347-P455 HydrophobicContact CD2-CG 4.19Å; F347-P455 HydrophobicContact CE2-CG 3.49Å; F347-P455 VanDerWaalsContact CE2-CG 3.49Å; F347-P455 HydrophobicContact CZ-CG 3.77Å; P455-L458 HydrophobicContact CB-CB 4.28Å; P455-L458 HydrophobicContact CG-CB 3.95Å; P455-L458 HydrophobicContact CG-CD2 3.92Å; P455-L458 WeakPolarHBondContact O-CB 3.07Å; P455-L458 PolarHBondContact O-N 2.95Å
456A86.6Confident83.6Confident14 Ų1442.8 Ų42.812%0.11624%0.238CC..THydrogen-bonded Turntrans-72.3-31.4-173.200000112.3D342 D404 T443 Q454 L458 Y459 L460D342-A456 PolarHBondContact OD2-N 2.99Å; D342-A456 VanDerWaalsContact OD2-N 3.11Å; D404-A456 HydrophobicContact CB-CB 4.41Å; T443-A456 HydrophobicContact CG2-CB 4.06Å; T443-A456 WeakPolarHBondContact CG2-O 3.23Å; Q454-A456 PolarHBondContact O-N 3.34Å; A456-L458 PolarHBondContact O-N 2.89Å; A456-Y459 PolarHBondContact O-N 2.92Å; A456-L460 HydrophobicContact CB-CD1 4.2Å; A456-L460 WeakPolarHBondContact O-CG 3.48Å; A456-L460 PolarHBondContact O-N 2.9Å; A456-L460 VanDerWaalsContact O-N 3.17Å
457L90.4Very high84.2Confident11 Ų1144.7 Ų44.76%0.05825%0.249CC..Hα-helixtrans-67.6-22.9177.5-61.2-176.7000112.1L338 D342 V407 P408 Y459 L460 V461L338-L457 HydrophobicContact CB-CD1 3.94Å; D342-L457 HydrophobicContact CB-CB 4.14Å; D342-L457 HydrophobicContact CB-CD1 4.32Å; D342-L457 VanDerWaalsContact OD2-CB 3.26Å; D342-L457 WeakPolarHBondContact OD2-CB 3.49Å; D342-L457 PolarHBondContact OD2-N 3.19Å; V407-L457 HydrophobicContact CB-CD2 4.45Å; V407-L457 HydrophobicContact CG1-CD1 4.38Å; V407-L457 HydrophobicContact CG1-CD2 4.3Å; P408-L457 HydrophobicContact CG-CD2 4.23Å; L457-Y459 PolarHBondContact O-N 3.22Å; L457-Y459 VanDerWaalsContact O-N 3.11Å; L457-L460 HydrophobicContact CD2-CD1 4.47Å; L457-V461 HydrophobicContact CB-CG2 3.86Å; L457-V461 HydrophobicContact CD2-CG2 4.31Å; L457-V461 WeakPolarHBondContact O-CB 3.36Å; L457-V461 VanDerWaalsContact O-CG2 3.26Å; L457-V461 WeakPolarHBondContact O-CG2 3.46Å; L457-V461 PolarHBondContact O-N 3.38Å
458L91.4Very high85Confident44 Ų4441.7 Ų41.723%0.2323%0.233CC..Hα-helixtrans-52.6-32.4173.6-179.962.6000112.7F339 V343 F347 P455 A456 P462F339-L458 HydrophobicContact CE2-CD1 3.68Å; F339-L458 HydrophobicContact CZ-CD1 3.8Å; V343-L458 HydrophobicContact CG2-CD1 4.14Å; F347-L458 HydrophobicContact CE2-CD2 4.3Å; P455-L458 HydrophobicContact CB-CB 4.28Å; P455-L458 HydrophobicContact CG-CB 3.95Å; P455-L458 HydrophobicContact CG-CD2 3.92Å; P455-L458 WeakPolarHBondContact O-CB 3.07Å; P455-L458 PolarHBondContact O-N 2.95Å; A456-L458 PolarHBondContact O-N 2.89Å; L458-P462 VanDerWaalsContact O-CD 3.25Å; L458-P462 WeakPolarHBondContact O-CD 3.32Å; L458-P462 WeakPolarHBondContact O-CG 3.44Å
459Y93.3Very high86.1Confident51 Ų5143 Ų4320%0.224%0.236CC..Hα-helixtrans-106.8-40.1-177.8-53.5-88000112I442 T443 A446 Q454 A456 L457 P462 C463I442-Y459 HydrophobicContact CG2-CD1 3.42Å; I442-Y459 VanDerWaalsContact CG2-CD1 3.42Å; I442-Y459 HydrophobicContact CG2-CE1 4.01Å; I442-Y459 HydrophobicContact CG2-CG 4.04Å; T443-Y459 HydrophobicContact CG2-CD2 3.86Å; T443-Y459 HydrophobicContact CG2-CG 4.18Å; A446-Y459 HydrophobicContact CB-CE1 4.26Å; A446-Y459 HydrophobicContact CB-CE2 4.06Å; Q454-Y459 HydrophobicContact CB-CE2 4.36Å; Q454-Y459 PolarHBondContact OE1-OH 2.97Å; A456-Y459 PolarHBondContact O-N 2.92Å; L457-Y459 PolarHBondContact O-N 3.22Å; L457-Y459 VanDerWaalsContact O-N 3.11Å; Y459-P462 WeakPolarHBondContact O-CD 3.41Å; Y459-C463 WeakPolarHBondContact O-CB 3.33Å; Y459-C463 PolarHBondContact O-N 3.14Å; Y459-C463 PolarHBondContact O-SG 2.89Å
460L94.3Very high87.1Confident0 Ų039.4 Ų39.40%023%0.225CC..Hα-helixtrans-65.7-41-179.5-69166.8000113.1D404 P408 Y436 L440 T443 A456 L457 T464D404-L460 HydrophobicContact CB-CD1 3.91Å; P408-L460 HydrophobicContact CG-CB 3.95Å; P408-L460 HydrophobicContact CG-CD1 4.35Å; Y436-L460 HydrophobicContact CD2-CD2 3.82Å; Y436-L460 HydrophobicContact CE2-CD2 3.8Å; L440-L460 HydrophobicContact CB-CD2 3.94Å; L440-L460 HydrophobicContact CD1-CD2 4.39Å; T443-L460 HydrophobicContact CG2-CG 4.3Å; A456-L460 HydrophobicContact CB-CD1 4.2Å; A456-L460 WeakPolarHBondContact O-CG 3.48Å; A456-L460 PolarHBondContact O-N 2.9Å; A456-L460 VanDerWaalsContact O-N 3.17Å; L457-L460 HydrophobicContact CD2-CD1 4.47Å; L460-T464 WeakPolarHBondContact O-CG2 3.48Å; L460-T464 PolarHBondContact O-N 3.18Å; L460-T464 VanDerWaalsContact O-N 3.13Å; L460-T464 PolarHBondContact O-OG1 2.98Å
461V95.1Very high88.4Confident5 Ų537.2 Ų37.23%0.0322%0.215CC..Hα-helixtrans-65.2-55.3-178.41730000112.3L335 F339 L457 C463 T464 L465L335-V461 HydrophobicContact CB-CG1 3.96Å; L335-V461 HydrophobicContact CB-CG2 4.41Å; L335-V461 HydrophobicContact CD2-CG2 3.85Å; F339-V461 HydrophobicContact CB-CB 4.4Å; F339-V461 HydrophobicContact CB-CG1 4.24Å; F339-V461 HydrophobicContact CB-CG2 4.29Å; F339-V461 HydrophobicContact CD2-CB 4.17Å; F339-V461 HydrophobicContact CD2-CG1 4.38Å; L457-V461 HydrophobicContact CB-CG2 3.86Å; L457-V461 HydrophobicContact CD2-CG2 4.31Å; L457-V461 WeakPolarHBondContact O-CB 3.36Å; L457-V461 VanDerWaalsContact O-CG2 3.26Å; L457-V461 WeakPolarHBondContact O-CG2 3.46Å; L457-V461 PolarHBondContact O-N 3.38Å; V461-C463 PolarHBondContact O-N 2.91Å; V461-T464 PolarHBondContact O-N 2.67Å; V461-T464 PolarHBondContact O-OG1 2.81Å; V461-L465 HydrophobicContact CG1-CD1 3.66Å; V461-L465 HydrophobicContact CG1-CG 4.3Å; V461-L465 VanDerWaalsContact O-CB 3.32Å; V461-L465 WeakPolarHBondContact O-CB 3.33Å; V461-L465 PolarHBondContact O-N 2.99Å
462P94.8Very high89.7Confident44 Ų4431 Ų3129%0.28619%0.186SC..Hα-helixtrans-63.4-39.5179.423.2-32.9000112.2L458 Y459 T464 L466L458-P462 VanDerWaalsContact O-CD 3.25Å; L458-P462 WeakPolarHBondContact O-CD 3.32Å; L458-P462 WeakPolarHBondContact O-CG 3.44Å; Y459-P462 WeakPolarHBondContact O-CD 3.41Å; P462-T464 PolarHBondContact O-N 3.02Å; P462-L466 HydrophobicContact CB-CD1 4.16Å; P462-L466 WeakPolarHBondContact O-CB 3.26Å; P462-L466 WeakPolarHBondContact O-CG 3.38Å; P462-L466 PolarHBondContact O-N 3.08Å
463C96.3Very high91.2Very high29 Ų2932.7 Ų32.720%0.19620%0.196CC..Hα-helixtrans-59.1-50.6178.5-680000111.7A435 Y459 V461 T467A435-C463 WeakPolarHBondContact O-CB 3.3Å; Y459-C463 WeakPolarHBondContact O-CB 3.33Å; Y459-C463 PolarHBondContact O-N 3.14Å; Y459-C463 PolarHBondContact O-SG 2.89Å; V461-C463 PolarHBondContact O-N 2.91Å; C463-T467 VanDerWaalsContact O-CB 3.3Å; C463-T467 WeakPolarHBondContact O-CB 3.42Å; C463-T467 PolarHBondContact O-N 3.09Å; C463-T467 PolarHBondContact O-OG1 3Å
464T96.6Very high92.6Very high0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-72.7-40.9-177.655.60000113.2P408 A435 L460 V461 P462 S468P408-T464 HydrophobicContact CB-CG2 4.32Å; A435-T464 HydrophobicContact CB-CG2 4.43Å; L460-T464 WeakPolarHBondContact O-CG2 3.48Å; L460-T464 PolarHBondContact O-N 3.18Å; L460-T464 VanDerWaalsContact O-N 3.13Å; L460-T464 PolarHBondContact O-OG1 2.98Å; V461-T464 PolarHBondContact O-N 2.67Å; V461-T464 PolarHBondContact O-OG1 2.81Å; P462-T464 PolarHBondContact O-N 3.02Å; T464-S468 WeakPolarHBondContact O-CB 3.45Å; T464-S468 PolarHBondContact O-N 3.3Å; T464-S468 VanDerWaalsContact O-N 3.13Å; T464-S468 PolarHBondContact O-OG 3.11Å
465L95.8Very high93.2Very high21 Ų2144.2 Ų44.211%0.1122%0.224CC..Hα-helixtrans-68.6-46.3176.9-76.6-179000113F328 T332 L335 L411 V461 S468 L469F328-L465 HydrophobicContact CE2-CD2 3.89Å; F328-L465 HydrophobicContact CZ-CD2 3.9Å; T332-L465 HydrophobicContact CG2-CD2 3.72Å; L335-L465 HydrophobicContact CB-CD1 3.96Å; L335-L465 HydrophobicContact CB-CG 4.41Å; L335-L465 HydrophobicContact CD1-CD1 4.44Å; L335-L465 HydrophobicContact CD1-CD2 3.72Å; L335-L465 HydrophobicContact CD1-CG 4Å; L411-L465 HydrophobicContact CD2-CD2 3.78Å; L411-L465 HydrophobicContact CD2-CG 4.33Å; V461-L465 HydrophobicContact CG1-CD1 3.66Å; V461-L465 HydrophobicContact CG1-CG 4.3Å; V461-L465 VanDerWaalsContact O-CB 3.32Å; V461-L465 WeakPolarHBondContact O-CB 3.33Å; V461-L465 PolarHBondContact O-N 2.99Å; L465-S468 PolarHBondContact O-OG 2.73Å; L465-S468 VanDerWaalsContact O-OG 3.12Å; L465-L469 WeakPolarHBondContact O-CB 3.43Å; L465-L469 PolarHBondContact O-N 2.92Å
466L95.4Very high93.5Very high112 Ų11255.2 Ų55.259%0.58627%0.265SS*.Hα-helixtrans-69-38-177.6-64.1173.3000111.3P462 A470P462-L466 HydrophobicContact CB-CD1 4.16Å; P462-L466 WeakPolarHBondContact O-CB 3.26Å; P462-L466 WeakPolarHBondContact O-CG 3.38Å; P462-L466 PolarHBondContact O-N 3.08Å; L466-A470 WeakPolarHBondContact O-CB 3.39Å; L466-A470 PolarHBondContact O-N 2.75Å
467T95.9Very high93.6Very high50 Ų5056.4 Ų56.431%0.30727%0.268SS..Hα-helixtrans-66.6-46.3176.3-55.50000111.6A431 A435 C463 L469 A470 V471A431-T467 HydrophobicContact CB-CG2 4.15Å; A435-T467 HydrophobicContact CB-CG2 3.96Å; A435-T467 WeakPolarHBondContact CB-OG1 3.33Å; C463-T467 VanDerWaalsContact O-CB 3.3Å; C463-T467 WeakPolarHBondContact O-CB 3.42Å; C463-T467 PolarHBondContact O-N 3.09Å; C463-T467 PolarHBondContact O-OG1 3Å; T467-L469 VanDerWaalsContact C-N 3.35Å; T467-L469 PolarHBondContact O-N 3.32Å; T467-A470 PolarHBondContact O-N 3.23Å; T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 2.87Å
468S94.8Very high93.5Very high2 Ų258.3 Ų58.31%0.01428%0.278CS..Hα-helixtrans-65.4-37.2178.354.60000112.4F328 T464 L465 A472F328-S468 WeakPolarHBondContact CE2-OG 3.22Å; T464-S468 WeakPolarHBondContact O-CB 3.45Å; T464-S468 PolarHBondContact O-N 3.3Å; T464-S468 VanDerWaalsContact O-N 3.13Å; T464-S468 PolarHBondContact O-OG 3.11Å; L465-S468 PolarHBondContact O-OG 2.73Å; L465-S468 VanDerWaalsContact O-OG 3.12Å; S468-A472 WeakPolarHBondContact O-CB 3.48Å; S468-A472 PolarHBondContact O-N 2.99Å; S468-A472 VanDerWaalsContact O-N 3.12Å
469L94.9Very high93.2Very high54 Ų5466.7 Ų66.728%0.28331%0.307SS..Hα-helixtrans-64.7-43.6171.9-176.367.2000112.3F328 L465 T467 A472 L473 L478F328-L469 HydrophobicContact CE1-CD1 4.38Å; L465-L469 WeakPolarHBondContact O-CB 3.43Å; L465-L469 PolarHBondContact O-N 2.92Å; T467-L469 VanDerWaalsContact C-N 3.35Å; T467-L469 PolarHBondContact O-N 3.32Å; L469-A472 PolarHBondContact O-N 3.16Å; L469-L473 HydrophobicContact CG-CD1 4.07Å; L469-L473 WeakPolarHBondContact O-CB 3.36Å; L469-L473 WeakPolarHBondContact O-CG 3.49Å; L469-L473 PolarHBondContact O-N 2.96Å; L469-L478 HydrophobicContact CD1-CD1 3.57Å
470A94.9Very high92.9Very high53 Ų5368.8 Ų68.844%0.43832%0.319SS..Hα-helixtrans-64.1-41.3179.200000112.2L466 T467 L473 W474L466-A470 WeakPolarHBondContact O-CB 3.39Å; L466-A470 PolarHBondContact O-N 2.75Å; T467-A470 PolarHBondContact O-N 3.23Å; A470-L473 PolarHBondContact O-N 3.06Å; A470-W474 WeakPolarHBondContact O-CB 3.4Å; A470-W474 PolarHBondContact O-N 2.9Å
471V94.1Very high92.7Very high18 Ų1868.8 Ų68.811%0.10932%0.319CS..Hα-helixtrans-63.7-41.7173.7176.20000110.8I427 Y428 A431 T467 L473 W474 R475I427-V471 HydrophobicContact CG2-CG1 4.33Å; Y428-V471 HydrophobicContact CD1-CB 4.18Å; Y428-V471 HydrophobicContact CD1-CG1 3.72Å; Y428-V471 HydrophobicContact CE1-CB 4.08Å; Y428-V471 HydrophobicContact CE1-CG1 3.59Å; Y428-V471 HydrophobicContact CE2-CG1 4.46Å; Y428-V471 HydrophobicContact CG-CG1 4.23Å; A431-V471 HydrophobicContact CB-CG2 3.94Å; T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 2.87Å; V471-L473 VanDerWaalsContact C-N 3.35Å; V471-L473 PolarHBondContact O-N 2.91Å; V471-W474 PolarHBondContact O-N 3.18Å; V471-R475 WeakPolarHBondContact O-CB 3.4Å; V471-R475 WeakPolarHBondContact O-CG 3.36Å; V471-R475 PolarHBondContact O-N 2.59Å
472A92.2Very high92.4Very high0 Ų073.5 Ų73.50%034%0.336CS..Hα-helixtrans-66.2-34.2177.300000113.4Y428 S468 L469 R476 E477 L478 F481Y428-A472 HydrophobicContact CE1-CB 3.99Å; S468-A472 WeakPolarHBondContact O-CB 3.48Å; S468-A472 PolarHBondContact O-N 2.99Å; S468-A472 VanDerWaalsContact O-N 3.12Å; L469-A472 PolarHBondContact O-N 3.16Å; A472-R476 PolarHBondContact O-N 3.08Å; A472-E477 PolarHBondContact O-N 3.2Å; A472-E477 VanDerWaalsContact O-N 3.14Å; A472-L478 HydrophobicContact CB-CD1 4.08Å; A472-L478 PolarHBondContact O-N 2.85Å; A472-L478 VanDerWaalsContact O-N 3.14Å; A472-F481 HydrophobicContact CB-CB 4.05Å; A472-F481 HydrophobicContact CB-CD1 3.56Å; A472-F481 HydrophobicContact CB-CE1 4.2Å; A472-F481 HydrophobicContact CB-CG 3.92Å
473L93.3Very high91.9Very high98 Ų9874 Ų7451%0.51334%0.338SS..Hα-helixtrans-68.9-50.5172.9-79.8164.9000111.5L469 A470 V471 R475 R476 L478L469-L473 HydrophobicContact CG-CD1 4.07Å; L469-L473 WeakPolarHBondContact O-CB 3.36Å; L469-L473 WeakPolarHBondContact O-CG 3.49Å; L469-L473 PolarHBondContact O-N 2.96Å; A470-L473 PolarHBondContact O-N 3.06Å; V471-L473 VanDerWaalsContact C-N 3.35Å; V471-L473 PolarHBondContact O-N 2.91Å; L473-R475 VanDerWaalsContact C-N 3.31Å; L473-R475 PolarHBondContact O-N 2.66Å; L473-R476 PolarHBondContact O-N 2.88Å; L473-L478 HydrophobicContact CD2-CD2 3.78Å; L473-L478 HydrophobicContact CG-CD2 4.4Å
474W93.6Very high90.8Very high225 Ų22573.2 Ų73.285%0.85234%0.335SS*.Hα-helixtrans-60.8-40.7-178.8-174.719.7000111.8A470 V471 R476A470-W474 WeakPolarHBondContact O-CB 3.4Å; A470-W474 PolarHBondContact O-N 2.9Å; V471-W474 PolarHBondContact O-N 3.18Å; W474-R476 VanDerWaalsContact C-N 3.25Å; W474-R476 PolarHBondContact O-N 2.93Å
475R89.8Confident88.9Confident96 Ų9676.2 Ų76.236%0.36236%0.356SS..THydrogen-bonded Turntrans-73.9-10.2174.5-70.4-178.3154.9-84.7-18.9114.6V471 L473 E477V471-R475 WeakPolarHBondContact O-CB 3.4Å; V471-R475 WeakPolarHBondContact O-CG 3.36Å; V471-R475 PolarHBondContact O-N 2.59Å; L473-R475 VanDerWaalsContact C-N 3.31Å; L473-R475 PolarHBondContact O-N 2.66Å; R475-E477 HydrophobicContact CB-CB 4.23Å; R475-E477 HydrophobicContact CB-CG 3.94Å; R475-E477 IonicContact NH1-OE1 3.71Å; R475-E477 PolarHBondContact NH1-OE1 3.49Å; R475-E477 PolarHBondContact O-N 3.31Å; R475-E477 VanDerWaalsContact O-N 3.11Å
476R89.2Confident86.8Confident233 Ų23378 Ų7888%0.87938%0.379SS*.THydrogen-bonded Turntrans59.710.2-171.6-52.6-179.6177.3-174.6-1.7114.6A472 L473 W474 L478A472-R476 PolarHBondContact O-N 3.08Å; L473-R476 PolarHBondContact O-N 2.88Å; W474-R476 VanDerWaalsContact C-N 3.25Å; W474-R476 PolarHBondContact O-N 2.93Å; R476-L478 VanDerWaalsContact C-N 3.25Å; R476-L478 PolarHBondContact O-N 2.66Å
477E89.1Confident84.8Confident39 Ų3980.8 Ų80.818%0.18239%0.387CS..  trans-79.4-2.9-180-70.9166.4-160.300112.8Y428 A472 R475 R479 Q480 F481Y428-E477 WeakPolarHBondContact CE2-OE2 3.41Å; Y428-E477 VanDerWaalsContact CZ-OE2 3.29Å; Y428-E477 PolarHBondContact OH-OE2 2.81Å; A472-E477 PolarHBondContact O-N 3.2Å; A472-E477 VanDerWaalsContact O-N 3.14Å; R475-E477 HydrophobicContact CB-CB 4.23Å; R475-E477 HydrophobicContact CB-CG 3.94Å; R475-E477 IonicContact NH1-OE1 3.71Å; R475-E477 PolarHBondContact NH1-OE1 3.49Å; R475-E477 PolarHBondContact O-N 3.31Å; R475-E477 VanDerWaalsContact O-N 3.11Å; E477-R479 VanDerWaalsContact C-N 3.3Å; E477-R479 PolarHBondContact O-N 3.11Å; E477-Q480 WeakPolarHBondContact O-CB 3.23Å; E477-Q480 PolarHBondContact O-N 3.1Å; E477-F481 PolarHBondContact O-N 2.68Å
478L87.8Confident82.1Confident51 Ų5183 Ų8327%0.26740%0.4SS..Hα-helixtrans-42.8-44.5-171-178.165.8000115.3L469 A472 L473 R476 Q480 F481 W482L469-L478 HydrophobicContact CD1-CD1 3.57Å; A472-L478 HydrophobicContact CB-CD1 4.08Å; A472-L478 PolarHBondContact O-N 2.85Å; A472-L478 VanDerWaalsContact O-N 3.14Å; L473-L478 HydrophobicContact CD2-CD2 3.78Å; L473-L478 HydrophobicContact CG-CD2 4.4Å; R476-L478 VanDerWaalsContact C-N 3.25Å; R476-L478 PolarHBondContact O-N 2.66Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; L478-Q480 PolarHBondContact O-N 3.39Å; L478-F481 PolarHBondContact O-N 3.06Å; L478-W482 WeakPolarHBondContact O-CB 3.24Å; L478-W482 PolarHBondContact O-N 3.28Å
479R86.9Confident79.3Confident219 Ų21988.4 Ų88.483%0.82644%0.435SS*.Hα-helixtrans-63.8-37.9-179.3-72.3-173.5177.1-172.30.2112.7E477 T483E477-R479 VanDerWaalsContact C-N 3.3Å; E477-R479 PolarHBondContact O-N 3.11Å; R479-T483 WeakPolarHBondContact O-CB 2.98Å; R479-T483 WeakPolarHBondContact O-CG2 3.43Å; R479-T483 PolarHBondContact O-N 2.93Å; R479-T483 PolarHBondContact O-OG1 2.75Å
480Q86.9Confident76.3Confident96 Ų9691.2 Ų91.245%0.44946%0.457SS..Hα-helixtrans-72.6-45176.8-61.2174.90.600110.2F418 E477 L478 T483 G484 S485F418-Q480 HydrophobicContact CE2-CB 4.46Å; F418-Q480 HydrophobicContact CZ-CB 4.3Å; E477-Q480 WeakPolarHBondContact O-CB 3.23Å; E477-Q480 PolarHBondContact O-N 3.1Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; L478-Q480 PolarHBondContact O-N 3.39Å; Q480-T483 PolarHBondContact O-N 3.4Å; Q480-T483 PolarHBondContact O-OG1 3.09Å; Q480-G484 CarbonylContact O-C 3.59Å; Q480-G484 WeakPolarHBondContact O-CA 3.36Å; Q480-G484 PolarHBondContact O-N 3.28Å; Q480-S485 PolarHBondContact O-N 2.81Å
481F89.5Confident73.9Confident0 Ų095 Ų950%047%0.468CS..Hα-helixtrans-61.1-47.6177.6-171-112.4000112.4F328 Y414 F418 Y428 A472 E477 L478 T483 G484F328-F481 HydrophobicContact CB-CD1 4.19Å; F328-F481 HydrophobicContact CB-CE1 4.19Å; F328-F481 WeakPolarHBondContact CB-O 3.3Å; F328-F481 AromaticContact CD1-CD1 3.94Å; F328-F481 HydrophobicContact CD1-CD1 3.94Å; F328-F481 AromaticContact CD1-CE1 3.85Å; F328-F481 HydrophobicContact CD1-CE1 3.85Å; F328-F481 HydrophobicContact CD2-CD1 4.15Å; F328-F481 AromaticContact CD2-CE1 3.35Å; F328-F481 HydrophobicContact CD2-CE1 3.35Å; F328-F481 AromaticContact CD2-CZ 3.7Å; F328-F481 HydrophobicContact CD2-CZ 3.7Å; F328-F481 HydrophobicContact CE1-CD1 4.3Å; F328-F481 AromaticContact CE1-CE1 3.98Å; F328-F481 HydrophobicContact CE1-CE1 3.98Å; F328-F481 AromaticContact CE2-CE1 3.51Å; F328-F481 HydrophobicContact CE2-CE1 3.51Å; F328-F481 AromaticContact CE2-CZ 3.99Å; F328-F481 HydrophobicContact CE2-CZ 3.99Å; F328-F481 AromaticContact CG-CD1 3.84Å; F328-F481 HydrophobicContact CG-CD1 3.84Å; F328-F481 AromaticContact CG-CE1 3.53Å; F328-F481 HydrophobicContact CG-CE1 3.53Å; F328-F481 HydrophobicContact CG-CZ 4.18Å; F328-F481 AromaticContact CZ-CE1 3.81Å; F328-F481 HydrophobicContact CZ-CE1 3.81Å; Y414-F481 HydrophobicContact CD1-CE2 4.14Å; Y414-F481 HydrophobicContact CD1-CZ 4.33Å; Y414-F481 HydrophobicContact CE1-CD2 4.04Å; Y414-F481 AromaticContact CE1-CE2 3.66Å; Y414-F481 HydrophobicContact CE1-CE2 3.66Å; Y414-F481 HydrophobicContact CE1-CZ 4.04Å; Y414-F481 PolarHBondContact OH-O 3.11Å; F418-F481 HydrophobicContact CB-CD2 4.37Å; F418-F481 HydrophobicContact CB-CE2 4.31Å; F418-F481 AromaticContact CD1-CD2 3.6Å; F418-F481 HydrophobicContact CD1-CD2 3.6Å; F418-F481 HydrophobicContact CD1-CE2 4.1Å; F418-F481 AromaticContact CD2-CD2 3.94Å; F418-F481 HydrophobicContact CD2-CD2 3.94Å; F418-F481 HydrophobicContact CE1-CB 4.34Å; F418-F481 AromaticContact CE1-CD2 3.77Å; F418-F481 HydrophobicContact CE1-CD2 3.77Å; F418-F481 HydrophobicContact CE2-CB 4.24Å; F418-F481 HydrophobicContact CE2-CD2 4.11Å; F418-F481 AromaticContact CG-CD2 3.69Å; F418-F481 HydrophobicContact CG-CD2 3.69Å; F418-F481 HydrophobicContact CG-CE2 4.11Å; F418-F481 HydrophobicContact CZ-CB 3.96Å; F418-F481 HydrophobicContact CZ-CD2 4.03Å; Y428-F481 HydrophobicContact CD1-CD2 4.28Å; Y428-F481 AromaticContact CD1-CE2 3.82Å; Y428-F481 HydrophobicContact CD1-CE2 3.82Å; Y428-F481 HydrophobicContact CD1-CZ 4.15Å; Y428-F481 HydrophobicContact CE1-CD2 4.03Å; Y428-F481 HydrophobicContact CE1-CE2 4.02Å; Y428-F481 HydrophobicContact CE1-CG 4.43Å; Y428-F481 HydrophobicContact CE1-CZ 4.4Å; Y428-F481 HydrophobicContact CG-CE2 4.44Å; A472-F481 HydrophobicContact CB-CB 4.05Å; A472-F481 HydrophobicContact CB-CD1 3.56Å; A472-F481 HydrophobicContact CB-CE1 4.2Å; A472-F481 HydrophobicContact CB-CG 3.92Å; E477-F481 PolarHBondContact O-N 2.68Å; L478-F481 PolarHBondContact O-N 3.06Å; F481-T483 PolarHBondContact O-N 3.05Å; F481-G484 PolarHBondContact O-N 2.93Å
482W89.1Confident70.9Confident103 Ų103100.6 Ų100.639%0.3950%0.502SS..Hα-helixtrans-58.7-47.5179-171.9-110.5000112.3F328 K329 T332 L478F328-W482 AromaticContact CD1-CE3 3.55Å; F328-W482 HydrophobicContact CD1-CE3 3.55Å; F328-W482 AromaticContact CD1-CZ3 3.84Å; F328-W482 HydrophobicContact CD1-CZ3 3.84Å; F328-W482 AromaticContact CE1-CE3 3.92Å; F328-W482 HydrophobicContact CE1-CE3 3.92Å; F328-W482 AromaticContact CE1-CZ3 3.87Å; F328-W482 HydrophobicContact CE1-CZ3 3.87Å; K329-W482 VanDerWaalsContact CE-CD1 3.45Å; K329-W482 VanDerWaalsContact CE-NE1 3.29Å; K329-W482 HydrophobicContact CG-CD2 4.17Å; K329-W482 HydrophobicContact CG-CG 4.31Å; K329-W482 HydrophobicContact CG-CZ2 4.09Å; K329-W482 WeakPolarHBondContact CG-O 3.33Å; K329-W482 PolarHBondContact N-O 3.48Å; T332-W482 HydrophobicContact CG2-CH2 4.45Å; T332-W482 HydrophobicContact CG2-CZ3 4.07Å; L478-W482 WeakPolarHBondContact O-CB 3.24Å; L478-W482 PolarHBondContact O-N 3.28Å
483T83.6Confident68.4Low56 Ų56107.4 Ų107.434%0.34454%0.537SS..Hα-helixtrans-85.9-15.9-176.457.90000114.4T327 R479 Q480 F481 S485T327-T483 WeakPolarHBondContact CG2-O 3.17Å; R479-T483 WeakPolarHBondContact O-CB 2.98Å; R479-T483 WeakPolarHBondContact O-CG2 3.43Å; R479-T483 PolarHBondContact O-N 2.93Å; R479-T483 PolarHBondContact O-OG1 2.75Å; Q480-T483 PolarHBondContact O-N 3.4Å; Q480-T483 PolarHBondContact O-OG1 3.09Å; F481-T483 PolarHBondContact O-N 3.05Å; T483-S485 PolarHBondContact O-N 3.17Å; T483-S485 VanDerWaalsContact OG1-CB 3.27Å; T483-S485 WeakPolarHBondContact OG1-CB 3.41Å; T483-S485 PolarHBondContact OG1-N 2.91Å; T483-S485 VanDerWaalsContact OG1-N 3.14Å
484G73.3Confident65.5Low11 Ų11106.1 Ų106.111%0.11354%0.541CS..  trans675.4-164.500000113.6Y414 Q480 F481 G486Y414-G484 WeakPolarHBondContact OH-CA 3.16Å; Q480-G484 CarbonylContact O-C 3.59Å; Q480-G484 WeakPolarHBondContact O-CA 3.36Å; Q480-G484 PolarHBondContact O-N 3.28Å; F481-G484 PolarHBondContact O-N 2.93Å; G484-G486 PolarHBondContact O-N 3.38Å; G484-G486 VanDerWaalsContact O-N 3.09Å
485S57Low62.6Low63 Ų63101.1 Ų101.144%0.44154%0.538SS..  trans-86.785.4-172.7-160.90000112.1Q480 T483Q480-S485 PolarHBondContact O-N 2.81Å; T483-S485 PolarHBondContact O-N 3.17Å; T483-S485 VanDerWaalsContact OG1-CB 3.27Å; T483-S485 WeakPolarHBondContact OG1-CB 3.41Å; T483-S485 PolarHBondContact OG1-N 2.91Å; T483-S485 VanDerWaalsContact OG1-N 3.14Å
486G51.4Low60.3Low58 Ų58104.2 Ų104.260%0.59856%0.56SS**  trans-105.129.4153.500000111.4G484 V488G484-G486 PolarHBondContact O-N 3.38Å; G484-G486 VanDerWaalsContact O-N 3.09Å; G486-V488 PolarHBondContact O-N 3.37Å
487F53Low57.4Low171 Ų171100.1 Ų100.175%0.7556%0.555SS**  trans-77.3107.8-176.4-84.1-87.8000111.1
488V39.8Very low54.9Low98 Ų98103.9 Ų103.959%0.59458%0.583SS**  trans65.7109.7165.1-176.60000114G486 I491G486-V488 PolarHBondContact O-N 3.37Å; V488-I491 HydrophobicContact CG1-CG1 4.18Å
489P35.7Very low52Low115 Ų115107.9 Ų107.975%0.74761%0.61SS**  trans-55128.4156.5-15.929.7000107.4I491P489-I491 PolarHBondContact O-N 2.8Å; P489-I491 VanDerWaalsContact O-N 3.11Å
490P32.3Very low49.3Very low113 Ų113106.4 Ų106.473%0.73461%0.614SS**  trans-55.4123.3-172.122-33.2000109.7V492P490-V492 PolarHBondContact O-N 3.14Å
491I44Very low46.4Very low131 Ų131108.9 Ų108.967%0.67264%0.636SS**  trans-64.7109.3-179.6-56.4175.9000106.8V488 P489 L493V488-I491 HydrophobicContact CG1-CG1 4.18Å; P489-I491 PolarHBondContact O-N 2.8Å; P489-I491 VanDerWaalsContact O-N 3.11Å; I491-L493 HydrophobicContact CG2-CD1 4.02Å; I491-L493 HydrophobicContact CG2-CG 3.87Å; I491-L493 PolarHBondContact O-N 3.42Å
492V31.8Very low43.4Very low136 Ų136113.6 Ų113.682%0.82468%0.676SS**  trans-75.272.7169.9-173.40000107.7P490 A494P490-V492 PolarHBondContact O-N 3.14Å; V492-A494 VanDerWaalsContact C-N 3.32Å; V492-A494 PolarHBondContact O-N 3.03Å
493L39.7Very low40.2Very low143 Ų143117.5 Ų117.575%0.74970%0.698SS**  trans-63.798.9159.4-90.7150.9000106.4I491I491-L493 HydrophobicContact CG2-CD1 4.02Å; I491-L493 HydrophobicContact CG2-CG 3.87Å; I491-L493 PolarHBondContact O-N 3.42Å
494A33.1Very low38Very low72 Ų72120 Ų12060%0.59572%0.716SS**  trans-55.8129.6168.500000108.2V492 I496V492-A494 VanDerWaalsContact C-N 3.32Å; V492-A494 PolarHBondContact O-N 3.03Å; A494-I496 PolarHBondContact O-N 2.67Å
495P32.2Very low35.6Very low119 Ų119129.1 Ų129.177%0.77376%0.755SS**  trans-70.5104.9-175.627-33.3000110.2N497P495-N497 PolarHBondContact O-N 3.02Å
496I40.8Very low34.1Very low161 Ų161134.4 Ų134.483%0.82678%0.775SS**  trans-74.5109.2168.8-58178000107.3A494A494-I496 PolarHBondContact O-N 2.67Å
497N29.5Very low32.8Very low147 Ų147141 Ų14179%0.78679%0.79SS**  trans-67132.3175.8-94.3-13.2000110.7P495P495-N497 PolarHBondContact O-N 3.02Å
498P34.8Very low31.5Very low119 Ų119136.5 Ų136.577%0.77379%0.792SS**  trans-97.397.4-170.835.7-34.2000113.8
499T27.8Very low30.6Very low134 Ų134140 Ų14082%0.82281%0.806SS**  trans-150.5105159.6-22.10000113.5
500M29.5Very low30.8Very low188 Ų188139.6 Ų139.693%0.92680%0.803SS**  169.4145.8119.2-93-165.7141.500111.2
501T26.7Very low30.2Very low148 Ų148139.6 Ų139.691%0.90881%0.806SS**  trans-116116.8-174.8-45.40000110.4
502A26.3Very low29.3Very low100 Ų100142.4 Ų142.483%0.82681%0.814SS**  trans-164.4124.6158.500000111.5
503E22.6Very low28.9Very low184 Ų184139.8 Ų139.886%0.8681%0.806SS**  trans-99.5173.9156-78.4-171.1163.800108.6
504P35.8Very low28.1Very low110 Ų110140.3 Ų140.371%0.71481%0.805SS**  cis-129.2175.3-23.630.2-12.4000112.3
505Q24.4Very low27.6Very low202 Ų202145.3 Ų145.394%0.94482%0.816SS**  trans-164.7173.5130.7-112.6171.54.500113
506M24.6Very low27.2Very low174 Ų174149 Ų14986%0.85782%0.823SS**  trans-142.5130.8-161.6173.8-154.7-61.800109.7
507E25.2Very low26.4Very low197 Ų197147.8 Ų147.892%0.92182%0.823SS**  trans172.7163146.8-104.8177.7-163.800113
508G25.1Very low26.3Very low75 Ų75145.9 Ų145.977%0.77382%0.819SS**  trans99113.4145.600000120.2
509L20.1Very low25.8Very low171 Ų171148.9 Ų148.990%0.89582%0.822SS**  trans-164.7158.9165.6-149.299.4000108.3
510P40.1Very low25.5Very low107 Ų107146.7 Ų146.770%0.69581%0.813SS**  cis-125.4-170.1-19.737.8-21000114
511S20.8Very low25.2Very low114 Ų114143.7 Ų143.780%0.79781%0.805SS**  trans78.7145.4156-146.20000116.4
512K23.3Very low25.1Very low190 Ų190142.3 Ų142.383%0.82680%0.796SS**  cis-141.8-163.729.5-152.7-174.9171.4-166.70112.7
513A23.5Very low25Very low81 Ų81146.7 Ų146.767%0.66980%0.8SS**  trans-117.7-169.9-162.700000114.7
514E22.7Very low25.1Very low153 Ų153142.1 Ų142.172%0.71579%0.788SS**  trans90.2102.3161.9-69.7163.688.900119.8
515Q23.6Very low24.5Very low178 Ų178145.1 Ų145.183%0.83279%0.793SS**  trans31.1127.5131.3-69.6164.7-9900121
516Q23.2Very low24.5Very low195 Ų195143.9 Ų143.991%0.91179%0.787SS**  -157.2143.7129.2-111.9161.924.800111.8
517T23.8Very low24.4Very low137 Ų137141.6 Ų141.684%0.8478%0.783SS**  trans-136135.9170.3-45.80000108
518P28.5Very low25.4Very low106 Ų106136.9 Ų136.969%0.68877%0.769SS**  trans-122.8136.5155.911.210.7000112.7
519E23.4Very low25.4Very low182 Ų182141 Ų14185%0.8577%0.773SS**  32.7144.8114.1-76.8176.114800120.5
520S23.2Very low25.8Very low89 Ų89137.4 Ų137.462%0.62277%0.768SS**  cis-173.5164.8843.10000112.9
521T22.2Very low25.1Very low124 Ų124141.1 Ų141.176%0.76178%0.776SS**  trans51.2157.3143.352.80000121.7
522V25.2Very low25.4Very low119 Ų119144 Ų14472%0.72178%0.777SS**  cis-167.1149.3-11.4129.50000107.3
523E24Very low25.6Very low192 Ų192140.8 Ų140.890%0.89777%0.774SS**  trans-171.1169.5136.8-116.5176.7173.300113
524S23.5Very low27Very low88 Ų88141.7 Ų141.762%0.61577%0.773SS**  trans-140-178.7-165.7-51.70000111.5
525E25Very low27Very low174 Ų174142.1 Ų142.181%0.81378%0.78SS**  cis-128.8-126.3-0.4-151.977.4-104.800108.1
526E23.6Very low27.3Very low175 Ų175138.1 Ų138.182%0.81878%0.778SS**  cis-147.8-157.5-3.8-151.4174.2-176.900108.3
527T21.6Very low27.6Very low126 Ų126137.5 Ų137.577%0.77378%0.775SS**  trans-129-141-168.644.10000113.8
528P47.9Very low27.8Very low98 Ų98139.4 Ų139.464%0.63677%0.774SS**  -120179.4-87.832.4-15.9000114.7
529D23.5Very low27.8Very low161 Ų161140.3 Ų140.386%0.86178%0.778SS**  177.7165.3110.4-93.1-27.5000113.4
530A29Very low29.4Very low96 Ų96137 Ų13779%0.79377%0.772SS**  trans-153.9154.4-175.400000112.1
531E26.4Very low29.5Very low185 Ų185140.6 Ų140.686%0.86478%0.784SS**  trans-178.4154.1166.4-102.5174.8-170.500107.9
532E27.4Very low29.8Very low174 Ų174138.9 Ų138.981%0.81378%0.783SS**  cis-155.9-169.3-36.9-133.8-173.6-172.400110.8
533T27.2Very low30Very low123 Ų123142 Ų14276%0.75579%0.789SS**  trans-100.2-153.2-173.151.10000110.6
534P51.8Low30.1Very low101 Ų101140.8 Ų140.866%0.65678%0.784SS**  cis-138.8-176.1-5.635.4-11.1000116.3
535D24Very low30.4Very low161 Ų161142.6 Ų142.686%0.86179%0.791SS**  178.6162.5117.5-89.2-16.5000112.4
536A28.9Very low31.3Very low94 Ų94139 Ų13978%0.77778%0.783SS**  trans-150.8-157-168.300000113.7
537E29.6Very low31.5Very low183 Ų183135.5 Ų135.586%0.85578%0.778SS**  trans83145.1-177.7-61.4-177.6172.300116.6
538E28.3Very low31.8Very low176 Ų176135.4 Ų135.482%0.82278%0.777SS**  cis-155.1-169.8-24.1-127-172.217100111.3
539T28.3Very low30.8Very low126 Ų126137.5 Ų137.577%0.77378%0.782SS**  trans-131.9-170.2179.465.50000109.8
540P56.3Low31Very low111 Ų111139 Ų13972%0.72178%0.784SS**  cis-129.1-160.9-14.242-24.3000112
541D25.6Very low31Very low166 Ų166139.2 Ų139.289%0.88878%0.776SS**  trans-166.4168.8137.3-115.6-22.4000113
542A28.2Very low31.1Very low88 Ų88135.7 Ų135.773%0.72777%0.772SS**  trans-147.8-168.5-169.600000115.1
543E29Very low31.4Very low184 Ų184134.9 Ų134.986%0.8677%0.773SS**  trans72.6152.6173.4-60.8-174.3150.500116.4
544E26.1Very low31.7Very low167 Ų167137.1 Ų137.178%0.7878%0.775SS**  cis-145.2-173.71.3-140.5-171.816400112.6
545T30.3Very low30.9Very low126 Ų126140.8 Ų140.877%0.77378%0.781SS**  trans-122-131.4-174.563.50000110.5
546P44.9Very low31.5Very low99 Ų99139.7 Ų139.764%0.64377%0.773SS**  cis-126.6-165-19.239.8-21000113.9
547S27.1Very low31.9Very low100 Ų100139.9 Ų139.970%0.69977%0.769SS**  trans81.5143.8146.879.70000119.7
548T27.2Very low32.7Very low125 Ų125142.1 Ų142.177%0.76779%0.787SS**  cis-156.3175.4-6.83.40000113.5
549L27.1Very low32.9Very low142 Ų142140.4 Ų140.474%0.74379%0.785SS**  trans-34.6147.4175.9-74.670000118.6
550E29.2Very low33.2Very low191 Ų191141.2 Ų141.289%0.89379%0.785SS**  -164154.598.8-93.8-177.7154.800109.4
551T28.2Very low31.9Very low102 Ų102142.8 Ų142.863%0.62679%0.789SS**  cis139.6139.6-12.8-60.70000107.7
552S27.8Very low32.3Very low111 Ų111141.5 Ų141.578%0.77678%0.783SS**  trans95.8122.6162.4-37.90000120.1
553D34.3Very low32.5Very low157 Ų157144.8 Ų144.884%0.8479%0.787SS**  trans-75.1148.8155.9-51.6-108.6000112.4
554E32.5Very low32.8Very low169 Ų169142.2 Ų142.279%0.7978%0.782SS**  -163140.9124.8-94.4-161.2116.200108.2
555K36.1Very low33.3Very low179 Ų179140.4 Ų140.478%0.77878%0.782SS**  cis116.7151.112.2-166.6-170.1-172.8-178.90111
556I35.8Very low33.5Very low137 Ų137141.5 Ų141.570%0.70378%0.782SS**  trans85.698.7169.3-47.7-176.5000118
557S38.8Very low32.5Very low98 Ų98145.1 Ų145.169%0.68579%0.794SS**  32122124.9-166.50000121.4
558N46.2Very low33Very low230 Ų230149.2 Ų149.2100%1.2380%0.803SS**  -155.40111.2-100.2-12.8000111

Retrieved 558 of 558 residues in 334.6 ms (Link to these results)

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