A0A096NNK9_PAPAN Loading...

Docking protein 5

AlphaFold DB , UniProt , Accession A0A096NNK9, Species PAPAN (Papio anubis, Olive baboon), Gene DOK5, Length 306 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
1M31Very low64.5Low245 Ų24580.9 Ų80.9100%1.20744%0.441SS*.  01040-68.7-178.1-175.300107.3S3M1-S3 PolarHBondContact O-N 3.48Å
2A31.1Very low66.6Low83 Ų8374.8 Ų74.869%0.68641%0.411SS*.  trans-63.2116.3-171.700000110.5N4A2-N4 PolarHBondContact O-N 3.07Å
3S40.2Very low68.5Low68 Ų6872.7 Ų72.748%0.47639%0.393SS..  trans-6588.9167.127.90000107.8M1 F5M1-S3 PolarHBondContact O-N 3.48Å; S3-F5 VanDerWaalsContact C-N 3.32Å; S3-F5 WeakPolarHBondContact O-CD2 3.49Å; S3-F5 WeakPolarHBondContact O-CG 3.32Å; S3-F5 PolarHBondContact O-N 3.28Å; S3-F5 VanDerWaalsContact OG-CE2 3.3Å; S3-F5 WeakPolarHBondContact OG-CE2 3.24Å
4N52.3Low70Confident56 Ų5667.6 Ų67.630%0.29937%0.366SS..  trans-62.889.2179.9-78.4-26.9000110.2A2 K37A2-N4 PolarHBondContact O-N 3.07Å; N4-K37 PolarHBondContact O-NZ 3.13Å
5F56.4Low71.3Confident95 Ų9570.6 Ų70.642%0.41737%0.37SS..  trans-90.26.6176.5-65.2-65.5000113.4S3 D7 I8S3-F5 VanDerWaalsContact C-N 3.32Å; S3-F5 WeakPolarHBondContact O-CD2 3.49Å; S3-F5 WeakPolarHBondContact O-CG 3.32Å; S3-F5 PolarHBondContact O-N 3.28Å; S3-F5 VanDerWaalsContact OG-CE2 3.3Å; S3-F5 WeakPolarHBondContact OG-CE2 3.24Å; F5-D7 PolarHBondContact O-N 3.07Å; F5-I8 HydrophobicContact CB-CD1 4.45Å; F5-I8 HydrophobicContact CD1-CD1 3.56Å; F5-I8 HydrophobicContact CE1-CD1 4.29Å; F5-I8 HydrophobicContact CG-CD1 4.45Å; F5-I8 PolarHBondContact O-N 3.4Å
6N64.6Low72.4Confident117 Ų11768.3 Ų68.363%0.62636%0.357SS*.THydrogen-bonded Turntrans-61.6-15.4-174.8-72-9.3000114.5K33N6-K33 WeakPolarHBondContact O-CE 3.33Å
7D81.4Confident73.1Confident3 Ų372.7 Ų72.72%0.01637%0.368CS..THydrogen-bonded Turntrans-93.7-7.7177.967.5-27.8000114F5 K32 K33 R41F5-D7 PolarHBondContact O-N 3.07Å; D7-K32 CarbonylContact O-C 3.6Å; D7-K32 WeakPolarHBondContact O-CA 3.3Å; D7-K32 WeakPolarHBondContact O-CB 2.96Å; D7-K32 WeakPolarHBondContact OD2-CD 3.27Å; D7-K33 PolarHBondContact O-N 3.18Å; D7-R41 IonicContact OD2-CZ 2.87Å; D7-R41 IonicContact OD2-NH1 3.75Å; D7-R41 IonicContact OD2-NH2 2.68Å; D7-R41 PolarHBondContact OD2-NH2 3.07Å
8I85.4Confident73.4Confident40 Ų4069.8 Ų69.821%0.20536%0.356CS..EExtended strand (participates in β ladder)trans-81122.6179.8-58.9-176000110.2F5 Q11 V30 K32F5-I8 HydrophobicContact CB-CD1 4.45Å; F5-I8 HydrophobicContact CD1-CD1 3.56Å; F5-I8 HydrophobicContact CE1-CD1 4.29Å; F5-I8 HydrophobicContact CG-CD1 4.45Å; F5-I8 PolarHBondContact O-N 3.4Å; I8-Q11 HydrophobicContact CG2-CB 4.4Å; I8-Q11 HydrophobicContact CG2-CG 4.4Å; I8-V30 HydrophobicContact CB-CG1 4.47Å; I8-V30 HydrophobicContact CD1-CG1 3.84Å; I8-V30 HydrophobicContact CG1-CG1 3.9Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; I8-K32 HydrophobicContact CG1-CG 4.14Å
9V86.3Confident73.5Confident52 Ų5278.3 Ų78.332%0.31538%0.383SS..EExtended strand (participates in β ladder)trans-95.3-44.8176.9-173.30000110.9F31 K33 V106 E110V9-F31 HydrophobicContact CB-CD1 3.76Å; V9-F31 HydrophobicContact CB-CE1 4.05Å; V9-F31 HydrophobicContact CG1-CD1 4.13Å; V9-F31 HydrophobicContact CG1-CE1 4.16Å; V9-F31 HydrophobicContact CG2-CD1 4.31Å; V9-F31 HydrophobicContact CG2-CE1 4.24Å; V9-F31 PolarHBondContact N-O 3.28Å; V9-K33 HydrophobicContact CG2-CB 3.63Å; V9-K33 HydrophobicContact CG2-CD 4.32Å; V9-K33 HydrophobicContact CG2-CG 3.95Å; V9-V106 HydrophobicContact CB-CG1 4.37Å; V9-V106 HydrophobicContact CG1-CG1 3.38Å; V9-E110 HydrophobicContact CG1-CG 4.25Å
10K89.4Confident73.5Confident38 Ų3886.4 Ų86.417%0.16541%0.409CS..EExtended strand (participates in β ladder)trans-151.9145.5177.2-167171.1176.874.10110.2F31 E102 W103 V106K10-F31 PolarHBondContact N-O 3.46Å; K10-F31 PolarHBondContact O-N 2.92Å; K10-E102 IonicContact NZ-OE2 3.21Å; K10-E102 PolarHBondContact NZ-OE2 2.8Å; K10-W103 HydrophobicContact CB-CE3 4.3Å; K10-W103 HydrophobicContact CB-CH2 4.03Å; K10-W103 HydrophobicContact CB-CZ3 3.91Å; K10-W103 HydrophobicContact CD-CD2 3.56Å; K10-W103 HydrophobicContact CD-CE3 3.8Å; K10-W103 HydrophobicContact CD-CG 3.93Å; K10-W103 HydrophobicContact CD-CH2 4.4Å; K10-W103 HydrophobicContact CD-CZ2 4.2Å; K10-W103 HydrophobicContact CD-CZ3 4.21Å; K10-W103 HydrophobicContact CG-CD2 4.14Å; K10-W103 HydrophobicContact CG-CE3 4.17Å; K10-W103 HydrophobicContact CG-CH2 3.91Å; K10-W103 HydrophobicContact CG-CZ2 3.87Å; K10-W103 HydrophobicContact CG-CZ3 4.05Å; K10-V106 HydrophobicContact CB-CG1 4.41Å; K10-V106 HydrophobicContact CD-CG2 4.48Å
11Q91.1Very high73.5Confident93 Ų9387.4 Ų87.444%0.43542%0.416SS..EExtended strand (participates in β ladder)trans-143.2151.517359.5-178.5-12.300110.6I8 W28 L29 V30I8-Q11 HydrophobicContact CG2-CB 4.4Å; I8-Q11 HydrophobicContact CG2-CG 4.4Å; Q11-W28 HydrophobicContact CB-CZ2 3.94Å; Q11-W28 HydrophobicContact CG-CZ2 3.73Å; Q11-L29 WeakPolarHBondContact CA-O 3.33Å; Q11-V30 HydrophobicContact CB-CB 4.42Å; Q11-V30 HydrophobicContact CB-CG1 4.31Å; Q11-V30 HydrophobicContact CB-CG2 4.05Å
12G90.3Very high75.6Confident8 Ų877.3 Ų77.38%0.08238%0.375CS..EExtended strand (participates in β ladder)trans173.1174.1-179.800000113.8L29G12-L29 PolarHBondContact N-O 3.1Å; G12-L29 PolarHBondContact O-N 3.34Å
13Y90.5Very high78.1Confident47 Ų4777.9 Ų77.918%0.18437%0.366CS..EExtended strand (participates in β ladder)trans-79.8126.5175.7-80.3-72.9000111.1R26 C27 W28Y13-R26 HydrophobicContact CD1-CG 3.8Å; Y13-R26 HydrophobicContact CE1-CG 4.49Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; Y13-R26 VanDerWaalsContact CG-CZ 3.5Å; Y13-R26 VanDerWaalsContact CG-NH2 3.34Å; Y13-C27 WeakPolarHBondContact CA-O 3.49Å; Y13-W28 HydrophobicContact CD1-CE3 4.03Å; Y13-W28 AromaticContact CD2-CE3 3.56Å; Y13-W28 HydrophobicContact CD2-CE3 3.56Å; Y13-W28 AromaticContact CD2-CZ3 3.45Å; Y13-W28 HydrophobicContact CD2-CZ3 3.45Å; Y13-W28 VanDerWaalsContact CD2-CZ3 3.45Å; Y13-W28 HydrophobicContact CE1-CE3 4.04Å; Y13-W28 AromaticContact CE2-CE3 3.55Å; Y13-W28 HydrophobicContact CE2-CE3 3.55Å; Y13-W28 AromaticContact CE2-CZ3 3.48Å; Y13-W28 HydrophobicContact CE2-CZ3 3.48Å; Y13-W28 VanDerWaalsContact CE2-CZ3 3.48Å; Y13-W28 AromaticContact CG-CE3 3.81Å; Y13-W28 HydrophobicContact CG-CE3 3.81Å; Y13-W28 HydrophobicContact CG-CZ3 4.12Å; Y13-W28 AromaticContact CZ-CE3 3.8Å
14V90.6Very high80.1Confident1 Ų179 Ų791%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-134.7161.6176-580000110.4I16 R26 C27 L29 F92 W103V14-I16 HydrophobicContact CG2-CD1 4.15Å; V14-I16 HydrophobicContact CG2-CG1 4.1Å; V14-R26 WeakPolarHBondContact O-CA 3.48Å; V14-C27 PolarHBondContact N-O 2.92Å; V14-C27 PolarHBondContact O-N 3.06Å; V14-C27 VanDerWaalsContact O-O 3.13Å; V14-C27 PolarHBondContact O-SG 3.1Å; V14-L29 HydrophobicContact CG1-CB 4.38Å; V14-L29 HydrophobicContact CG1-CD2 4.43Å; V14-L29 HydrophobicContact CG2-CB 3.55Å; V14-L29 HydrophobicContact CG2-CD2 3.92Å; V14-L29 HydrophobicContact CG2-CG 4.3Å; V14-F92 HydrophobicContact CB-CB 4.44Å; V14-F92 HydrophobicContact CB-CD2 3.94Å; V14-F92 HydrophobicContact CG1-CD2 3.75Å; V14-F92 HydrophobicContact CG1-CE2 4.08Å; V14-F92 HydrophobicContact CG2-CB 4.34Å; V14-F92 HydrophobicContact CG2-CD2 4.35Å; V14-W103 HydrophobicContact CG1-CZ2 4.45Å
15R88.8Confident81.7Confident113 Ų11379.9 Ų79.943%0.42636%0.363SS..EExtended strand (participates in β ladder)trans-104122173.9-69.9-173177.294.8-1.2110.8Y24 Q25 F92 A93R15-Y24 HydrophobicContact CB-CD1 4.21Å; R15-Q25 WeakPolarHBondContact CA-O 3.47Å; R15-F92 WeakPolarHBondContact O-CA 3.16Å; R15-A93 HydrophobicContact CB-CB 4.37Å; R15-A93 PolarHBondContact N-O 3.29Å; R15-A93 PolarHBondContact O-N 2.86Å
16I88.8Confident83.3Confident34 Ų3481.2 Ų81.217%0.17437%0.365CS..EExtended strand (participates in β ladder)trans-119.1135177.6-61.9177.5000109.4V14 S18 Q25 L29 K44 F92V14-I16 HydrophobicContact CG2-CD1 4.15Å; V14-I16 HydrophobicContact CG2-CG1 4.1Å; I16-S18 PolarHBondContact O-N 2.87Å; I16-Q25 PolarHBondContact N-O 2.93Å; I16-Q25 PolarHBondContact O-N 2.68Å; I16-L29 HydrophobicContact CD1-CD1 4.42Å; I16-K44 HydrophobicContact CD1-CD 4Å; I16-K44 HydrophobicContact CD1-CG 4.27Å; I16-F92 HydrophobicContact CD1-CB 4.31Å; I16-F92 HydrophobicContact CG1-CB 3.69Å
17R84.1Confident84.5Confident143 Ų14375.8 Ų75.854%0.5434%0.336SS..EExtended strand (participates in β ladder)trans-70.8123.6176.4-165.5-179.6-175.8-167.50.2110.6G22 Y24R17-G22 WeakPolarHBondContact CG-O 3.46Å; R17-G22 PolarHBondContact NE-O 3.37Å; R17-Y24 HydrophobicContact CB-CD1 4.22Å; R17-Y24 HydrophobicContact CB-CE1 3.9Å; R17-Y24 HydrophobicContact CB-CE2 4.36Å; R17-Y24 HydrophobicContact CG-CE2 4.25Å
18S79.1Confident85Confident21 Ų2176.8 Ų76.815%0.14734%0.339CS..  trans-70.9128.3172179.70000110I16 R20 L21 G22 I23I16-S18 PolarHBondContact O-N 2.87Å; S18-R20 VanDerWaalsContact C-N 3.26Å; S18-R20 PolarHBondContact O-N 3.13Å; S18-R20 PolarHBondContact OG-N 3.22Å; S18-L21 PolarHBondContact OG-N 2.99Å; S18-G22 VanDerWaalsContact O-CA 3.28Å; S18-G22 WeakPolarHBondContact O-CA 3.5Å; S18-G22 PolarHBondContact O-N 2.92Å; S18-I23 PolarHBondContact N-O 3.23Å
19R74.3Confident85.2Confident230 Ų23075.1 Ų75.187%0.86833%0.331SS*.THydrogen-bonded Turntrans-68-28.2173.1-68.5-170.5-179-171.1-1.2112.4
20R74.4Confident85.5Confident240 Ų24072.8 Ų72.891%0.90632%0.317SS*.THydrogen-bonded Turntrans-82.3-42.7-178.6-68.9-175.5179177-1.2112.4S18S18-R20 VanDerWaalsContact C-N 3.26Å; S18-R20 PolarHBondContact O-N 3.13Å; S18-R20 PolarHBondContact OG-N 3.22Å
21L72.8Confident85.5Confident108 Ų10871 Ų7157%0.56531%0.309SS*.THydrogen-bonded Turntrans-102.7-10.1-172.2-62.2172000113.1S18 I23S18-L21 PolarHBondContact OG-N 2.99Å; L21-I23 HydrophobicContact CB-CD1 4.16Å; L21-I23 HydrophobicContact CB-CG1 3.75Å; L21-I23 HydrophobicContact CD1-CD1 4.22Å; L21-I23 PolarHBondContact O-N 2.73Å
22G75.9Confident85.4Confident33 Ų3366.7 Ų66.734%0.3429%0.289SS..  trans69.3-15-177.600000115.5R17 S18R17-G22 WeakPolarHBondContact CG-O 3.46Å; R17-G22 PolarHBondContact NE-O 3.37Å; S18-G22 VanDerWaalsContact O-CA 3.28Å; S18-G22 WeakPolarHBondContact O-CA 3.5Å; S18-G22 PolarHBondContact O-N 2.92Å
23I83.5Confident85.2Confident96 Ų9669.2 Ų69.249%0.49230%0.298SS..SBendtrans-85.2155.2-178.764.3178.2000113.1S18 L21 Q25S18-I23 PolarHBondContact N-O 3.23Å; L21-I23 HydrophobicContact CB-CD1 4.16Å; L21-I23 HydrophobicContact CB-CG1 3.75Å; L21-I23 HydrophobicContact CD1-CD1 4.22Å; L21-I23 PolarHBondContact O-N 2.73Å; I23-Q25 HydrophobicContact CD1-CG 4.48Å; I23-Q25 HydrophobicContact CG1-CG 4.29Å
24Y82.3Confident84.8Confident92 Ų9268.4 Ų68.436%0.36130%0.301SS..EExtended strand (participates in β ladder)trans-82.8125.6171.7-74.7-95.7000110.2R15 R17 K76R15-Y24 HydrophobicContact CB-CD1 4.21Å; R17-Y24 HydrophobicContact CB-CD1 4.22Å; R17-Y24 HydrophobicContact CB-CE1 3.9Å; R17-Y24 HydrophobicContact CB-CE2 4.36Å; R17-Y24 HydrophobicContact CG-CE2 4.25Å; Y24-K76 VanDerWaalsContact OH-CD 3.3Å; Y24-K76 WeakPolarHBondContact OH-CD 3.48Å; Y24-K76 WeakPolarHBondContact OH-CE 3.41Å; Y24-K76 PolarHBondContact OH-NZ 3.4Å
25Q86.5Confident84.5Confident74 Ų7468.7 Ų68.735%0.34630%0.303SS..EExtended strand (participates in β ladder)trans-110.7134.7176.2-68.1179.3-28.100109.1R15 I16 I23R15-Q25 WeakPolarHBondContact CA-O 3.47Å; I16-Q25 PolarHBondContact N-O 2.93Å; I16-Q25 PolarHBondContact O-N 2.68Å; I23-Q25 HydrophobicContact CD1-CG 4.48Å; I23-Q25 HydrophobicContact CG1-CG 4.29Å
26R89.9Confident83.9Confident123 Ų12363.5 Ų63.546%0.46428%0.284SS..EExtended strand (participates in β ladder)trans-67.9134.1167.3-170.6171.4-174.7-116.85.4108Y13 V14 E95Y13-R26 HydrophobicContact CD1-CG 3.8Å; Y13-R26 HydrophobicContact CE1-CG 4.49Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; Y13-R26 VanDerWaalsContact CG-CZ 3.5Å; Y13-R26 VanDerWaalsContact CG-NH2 3.34Å; V14-R26 WeakPolarHBondContact O-CA 3.48Å; R26-E95 IonicContact CZ-OE1 2.9Å; R26-E95 IonicContact NE-OE1 3.43Å; R26-E95 PolarHBondContact NE-OE1 3.41Å; R26-E95 IonicContact NH2-OE1 2.71Å; R26-E95 PolarHBondContact NH2-OE1 3.25Å
27C90.1Very high83.4Confident2 Ų264 Ų641%0.01428%0.284CS..EExtended strand (participates in β ladder)trans-151.5156.7-178.7550000110.2Y13 V14 K44 F45 S46Y13-C27 WeakPolarHBondContact CA-O 3.49Å; V14-C27 PolarHBondContact N-O 2.92Å; V14-C27 PolarHBondContact O-N 3.06Å; V14-C27 VanDerWaalsContact O-O 3.13Å; V14-C27 PolarHBondContact O-SG 3.1Å; C27-K44 HydrophobicContact CB-CG 4.16Å; C27-K44 VanDerWaalsContact SG-CE 3.55Å; C27-F45 VanDerWaalsContact CB-O 3.27Å; C27-F45 WeakPolarHBondContact CB-O 3.22Å; C27-S46 WeakPolarHBondContact CA-O 3.48Å
28W90.7Very high83Confident24 Ų2457.6 Ų57.69%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-89122.2174-171.4-96000110Q11 Y13 F45 E48 A51Q11-W28 HydrophobicContact CB-CZ2 3.94Å; Q11-W28 HydrophobicContact CG-CZ2 3.73Å; Y13-W28 HydrophobicContact CD1-CE3 4.03Å; Y13-W28 AromaticContact CD2-CE3 3.56Å; Y13-W28 HydrophobicContact CD2-CE3 3.56Å; Y13-W28 AromaticContact CD2-CZ3 3.45Å; Y13-W28 HydrophobicContact CD2-CZ3 3.45Å; Y13-W28 VanDerWaalsContact CD2-CZ3 3.45Å; Y13-W28 HydrophobicContact CE1-CE3 4.04Å; Y13-W28 AromaticContact CE2-CE3 3.55Å; Y13-W28 HydrophobicContact CE2-CE3 3.55Å; Y13-W28 AromaticContact CE2-CZ3 3.48Å; Y13-W28 HydrophobicContact CE2-CZ3 3.48Å; Y13-W28 VanDerWaalsContact CE2-CZ3 3.48Å; Y13-W28 AromaticContact CG-CE3 3.81Å; Y13-W28 HydrophobicContact CG-CE3 3.81Å; Y13-W28 HydrophobicContact CG-CZ3 4.12Å; Y13-W28 AromaticContact CZ-CE3 3.8Å; W28-F45 HydrophobicContact CB-CB 4.24Å; W28-F45 PolarHBondContact N-O 2.96Å; W28-F45 VanDerWaalsContact N-O 3.13Å; W28-F45 PolarHBondContact O-N 2.93Å; W28-E48 HydrophobicContact CD2-CB 4.05Å; W28-E48 HydrophobicContact CD2-CG 4.36Å; W28-E48 HydrophobicContact CE3-CB 3.98Å; W28-E48 HydrophobicContact CE3-CG 4.41Å; W28-E48 HydrophobicContact CH2-CG 4.12Å; W28-E48 HydrophobicContact CZ2-CG 4.08Å; W28-E48 HydrophobicContact CZ3-CB 4.24Å; W28-E48 HydrophobicContact CZ3-CG 4.3Å; W28-A51 HydrophobicContact CG-CB 4.21Å
29L91.1Very high83.2Confident5 Ų558.2 Ų58.23%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-111.2131.3-180-171.169.2000109.4Q11 G12 V14 I16 L42 K44 F92 W103Q11-L29 WeakPolarHBondContact CA-O 3.33Å; G12-L29 PolarHBondContact N-O 3.1Å; G12-L29 PolarHBondContact O-N 3.34Å; V14-L29 HydrophobicContact CG1-CB 4.38Å; V14-L29 HydrophobicContact CG1-CD2 4.43Å; V14-L29 HydrophobicContact CG2-CB 3.55Å; V14-L29 HydrophobicContact CG2-CD2 3.92Å; V14-L29 HydrophobicContact CG2-CG 4.3Å; I16-L29 HydrophobicContact CD1-CD1 4.42Å; L29-L42 HydrophobicContact CD1-CB 4.17Å; L29-L42 HydrophobicContact CD1-CD2 4.22Å; L29-L42 HydrophobicContact CD2-CD2 4.04Å; L29-L42 HydrophobicContact CG-CD2 4.04Å; L29-K44 HydrophobicContact CD1-CB 4.29Å; L29-F92 HydrophobicContact CD2-CD1 4.24Å; L29-F92 HydrophobicContact CD2-CD2 4.31Å; L29-F92 HydrophobicContact CD2-CE1 4.24Å; L29-F92 HydrophobicContact CD2-CE2 4.29Å; L29-F92 HydrophobicContact CD2-CG 4.28Å; L29-F92 HydrophobicContact CD2-CZ 4.25Å; L29-W103 HydrophobicContact CD2-CH2 4.41Å; L29-W103 HydrophobicContact CD2-CZ3 4.47Å; L29-W103 HydrophobicContact CG-CH2 4.47Å
30V90.7Very high83.8Confident3 Ų349.8 Ų49.82%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-119.5118.5176.7-173.50000108.6I8 Q11 K32 L42 E43 F45 A51I8-V30 HydrophobicContact CB-CG1 4.47Å; I8-V30 HydrophobicContact CD1-CG1 3.84Å; I8-V30 HydrophobicContact CG1-CG1 3.9Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; Q11-V30 HydrophobicContact CB-CB 4.42Å; Q11-V30 HydrophobicContact CB-CG1 4.31Å; Q11-V30 HydrophobicContact CB-CG2 4.05Å; V30-K32 HydrophobicContact CG1-CD 4.43Å; V30-K32 HydrophobicContact CG1-CG 3.98Å; V30-L42 WeakPolarHBondContact O-CA 3.49Å; V30-E43 HydrophobicContact CB-CB 4.41Å; V30-E43 PolarHBondContact N-O 3.08Å; V30-E43 PolarHBondContact O-N 3.21Å; V30-F45 HydrophobicContact CB-CE2 4.27Å; V30-F45 HydrophobicContact CG2-CD2 3.97Å; V30-F45 HydrophobicContact CG2-CE2 3.75Å; V30-A51 HydrophobicContact CG2-CB 4.48Å
31F90.6Very high84.6Confident0 Ų039 Ų390%020%0.196CC..EExtended strand (participates in β ladder)trans-94.5125.1170.9176.4-134000110.5V9 K10 L42 L62 W103 V106 L107 E110V9-F31 HydrophobicContact CB-CD1 3.76Å; V9-F31 HydrophobicContact CB-CE1 4.05Å; V9-F31 HydrophobicContact CG1-CD1 4.13Å; V9-F31 HydrophobicContact CG1-CE1 4.16Å; V9-F31 HydrophobicContact CG2-CD1 4.31Å; V9-F31 HydrophobicContact CG2-CE1 4.24Å; V9-F31 PolarHBondContact N-O 3.28Å; K10-F31 PolarHBondContact N-O 3.46Å; K10-F31 PolarHBondContact O-N 2.92Å; F31-L42 HydrophobicContact CB-CD2 3.62Å; F31-L42 HydrophobicContact CD2-CD2 3.88Å; F31-L42 HydrophobicContact CD2-CG 4.38Å; F31-L42 HydrophobicContact CG-CD2 4.1Å; F31-L62 HydrophobicContact CD2-CD1 3.75Å; F31-L62 HydrophobicContact CE2-CD1 3.42Å; F31-L62 VanDerWaalsContact CE2-CD1 3.42Å; F31-L62 HydrophobicContact CZ-CD1 4.46Å; F31-W103 HydrophobicContact CB-CH2 4.41Å; F31-W103 HydrophobicContact CB-CZ3 3.74Å; F31-V106 HydrophobicContact CD1-CG1 3.78Å; F31-V106 HydrophobicContact CE1-CG1 3.78Å; F31-L107 HydrophobicContact CD1-CD2 4.05Å; F31-L107 HydrophobicContact CD2-CD2 4Å; F31-L107 HydrophobicContact CE1-CD2 4.03Å; F31-L107 HydrophobicContact CE2-CD2 4.01Å; F31-L107 HydrophobicContact CG-CD2 4.04Å; F31-L107 HydrophobicContact CZ-CD2 4.01Å; F31-E110 HydrophobicContact CE1-CB 3.72Å; F31-E110 HydrophobicContact CE1-CG 3.82Å; F31-E110 HydrophobicContact CZ-CB 3.53Å; F31-E110 HydrophobicContact CZ-CG 4.09Å
32K89.3Confident85.4Confident4 Ų434.4 Ų34.42%0.01717%0.172CC..EExtended strand (participates in β ladder)trans-119.7137-179.2-63.9179.7174.9175.30110.8D7 I8 V30 K40 R41 E43D7-K32 CarbonylContact O-C 3.6Å; D7-K32 WeakPolarHBondContact O-CA 3.3Å; D7-K32 WeakPolarHBondContact O-CB 2.96Å; D7-K32 WeakPolarHBondContact OD2-CD 3.27Å; I8-K32 HydrophobicContact CG1-CG 4.14Å; V30-K32 HydrophobicContact CG1-CD 4.43Å; V30-K32 HydrophobicContact CG1-CG 3.98Å; K32-K40 CarbonylContact O-C 3.57Å; K32-K40 VanDerWaalsContact O-CA 3.3Å; K32-K40 WeakPolarHBondContact O-CA 3.41Å; K32-R41 HydrophobicContact CB-CG 4.21Å; K32-R41 PolarHBondContact N-O 3.19Å; K32-R41 PolarHBondContact O-N 3.06Å; K32-E43 WeakPolarHBondContact CD-OE1 3.44Å; K32-E43 WeakPolarHBondContact CE-OE2 3.46Å; K32-E43 IonicContact NZ-OE1 3.48Å; K32-E43 PolarHBondContact NZ-OE1 2.91Å; K32-E43 IonicContact NZ-OE2 3.28Å; K32-E43 PolarHBondContact NZ-OE2 2.78Å
33K85.8Confident86.1Confident61 Ų6133.2 Ų33.227%0.26516%0.157SC..  trans-74.2170.8170.960.6177.6-179.4178.90110.8N6 D7 V9N6-K33 WeakPolarHBondContact O-CE 3.33Å; D7-K33 PolarHBondContact O-N 3.18Å; V9-K33 HydrophobicContact CG2-CB 3.63Å; V9-K33 HydrophobicContact CG2-CD 4.32Å; V9-K33 HydrophobicContact CG2-CG 3.95Å
34A82.2Confident86.3Confident30 Ų3031.3 Ų31.325%0.24815%0.145CC..  trans-64137.7172.300000109.9K40 N140A34-K40 HydrophobicContact CB-CG 4.05Å; A34-N140 WeakPolarHBondContact CB-ND2 3.38Å
35S83.9Confident86.6Confident7 Ų727.2 Ų27.25%0.04913%0.129CC..BIsolated β-bridgetrans-152.9178.2179.156.90000109.8K37 G38S35-K37 PolarHBondContact O-N 2.84Å; S35-K37 PolarHBondContact OG-N 2.8Å; S35-G38 PolarHBondContact N-O 2.86Å; S35-G38 PolarHBondContact O-N 2.86Å; S35-G38 VanDerWaalsContact O-O 3.08Å
36S76.9Confident86.6Confident4 Ų427.2 Ų27.23%0.02814%0.138CC..THydrogen-bonded Turntrans-49.6-27.9170.466.40000114.3G38 Y142 E154S36-G38 VanDerWaalsContact C-N 3.28Å; S36-G38 PolarHBondContact O-N 3.29Å; S36-Y142 VanDerWaalsContact CB-N 3.34Å; S36-E154 VanDerWaalsContact CB-OE2 3.27Å; S36-E154 WeakPolarHBondContact CB-OE2 3.47Å; S36-E154 PolarHBondContact N-OE2 3.23Å; S36-E154 VanDerWaalsContact OG-CD 3.26Å; S36-E154 PolarHBondContact OG-OE1 2.82Å; S36-E154 PolarHBondContact OG-OE2 2.76Å; S36-E154 VanDerWaalsContact OG-OE2 3.13Å
37K76.9Confident86.5Confident43 Ų4325 Ų2519%0.18714%0.135CC..THydrogen-bonded Turntrans-80.9-6.9-179.2-60.8176.7-168.91600113.3N4 S35 R214N4-K37 PolarHBondContact O-NZ 3.13Å; S35-K37 PolarHBondContact O-N 2.84Å; S35-K37 PolarHBondContact OG-N 2.8Å; K37-R214 PolarHBondContact O-NE 3.24Å; K37-R214 PolarHBondContact O-NH1 3.34Å; K37-R214 PolarHBondContact O-NH2 2.78Å
38G77.3Confident86.3Confident10 Ų1030 Ų3010%0.10316%0.158CC..BIsolated β-bridgetrans131.4-174176.300000114.1S35 S36S35-G38 PolarHBondContact N-O 2.86Å; S35-G38 PolarHBondContact O-N 2.86Å; S35-G38 VanDerWaalsContact O-O 3.08Å; S36-G38 VanDerWaalsContact C-N 3.28Å; S36-G38 PolarHBondContact O-N 3.29Å
39P82.3Confident85.9Confident33 Ų3338.6 Ų38.621%0.21419%0.191CC..SBendtrans-67.2171.6-172.525.6-33.9000113.6R41 E61 N63P39-R41 PolarHBondContact O-N 3.44Å; P39-R41 PolarHBondContact O-NH1 2.94Å; P39-E61 HydrophobicContact CG-CG 4.18Å; P39-N63 WeakPolarHBondContact CB-OD1 3.45Å
40K87.2Confident85.5Confident54 Ų5439.2 Ų39.224%0.23520%0.197CC..SBendtrans-51.1127.2167.4-67.1-178.6-70.1-164.10108.8K32 A34 L62 E110K32-K40 CarbonylContact O-C 3.57Å; K32-K40 VanDerWaalsContact O-CA 3.3Å; K32-K40 WeakPolarHBondContact O-CA 3.41Å; A34-K40 HydrophobicContact CB-CG 4.05Å; K40-L62 HydrophobicContact CB-CB 4.12Å; K40-L62 WeakPolarHBondContact O-CB 3.36Å; K40-L62 PolarHBondContact O-N 2.99Å; K40-E110 VanDerWaalsContact CD-O 3.28Å; K40-E110 WeakPolarHBondContact CD-O 3.19Å; K40-E110 WeakPolarHBondContact CE-O 3.23Å; K40-E110 PolarHBondContact NZ-O 2.71Å
41R90.3Very high84.9Confident14 Ų1439.8 Ų39.85%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-154.1153.6-173.366.6-169.7-178.3-77.5-3.8113.1D7 K32 P39 E43 V59 T60D7-R41 IonicContact OD2-CZ 2.87Å; D7-R41 IonicContact OD2-NH1 3.75Å; D7-R41 IonicContact OD2-NH2 2.68Å; D7-R41 PolarHBondContact OD2-NH2 3.07Å; K32-R41 HydrophobicContact CB-CG 4.21Å; K32-R41 PolarHBondContact N-O 3.19Å; K32-R41 PolarHBondContact O-N 3.06Å; P39-R41 PolarHBondContact O-N 3.44Å; P39-R41 PolarHBondContact O-NH1 2.94Å; R41-E43 HydrophobicContact CG-CG 4.38Å; R41-E43 IonicContact CZ-OE1 3.83Å; R41-E43 IonicContact NE-OE1 3.96Å; R41-E43 PolarHBondContact NE-OE1 2.92Å; R41-E43 IonicContact NH2-OE1 3.46Å; R41-E43 PolarHBondContact NH2-OE1 2.98Å; R41-V59 HydrophobicContact CB-CG1 4.07Å; R41-V59 HydrophobicContact CG-CG1 4.33Å; R41-T60 CarbonylContact C-O 3.58Å; R41-T60 WeakPolarHBondContact CA-O 3.48Å; R41-T60 WeakPolarHBondContact CB-O 3.44Å
42L90.1Very high84.3Confident10 Ų1047.4 Ų47.45%0.05223%0.231CC..EExtended strand (participates in β ladder)trans-104.2122.8168.3-72.3170.2000109.7L29 V30 F31 V59 T60 L62 I82L29-L42 HydrophobicContact CD1-CB 4.17Å; L29-L42 HydrophobicContact CD1-CD2 4.22Å; L29-L42 HydrophobicContact CD2-CD2 4.04Å; L29-L42 HydrophobicContact CG-CD2 4.04Å; V30-L42 WeakPolarHBondContact O-CA 3.49Å; F31-L42 HydrophobicContact CB-CD2 3.62Å; F31-L42 HydrophobicContact CD2-CD2 3.88Å; F31-L42 HydrophobicContact CD2-CG 4.38Å; F31-L42 HydrophobicContact CG-CD2 4.1Å; L42-V59 CarbonylContact O-C 3.48Å; L42-V59 WeakPolarHBondContact O-CA 3.44Å; L42-T60 PolarHBondContact N-O 2.99Å; L42-T60 PolarHBondContact O-N 3.21Å; L42-L62 HydrophobicContact CD1-CD1 4.1Å; L42-L62 HydrophobicContact CD1-CD2 4.11Å; L42-L62 HydrophobicContact CG-CD1 3.73Å; L42-L62 HydrophobicContact CG-CD2 4.42Å; L42-L62 HydrophobicContact CG-CG 4.35Å; L42-I82 HydrophobicContact CD1-CD1 3.41Å; L42-I82 VanDerWaalsContact CD1-CD1 3.41Å
43E90.4Very high83.8Confident9 Ų954.5 Ų54.54%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-105.4117.6174-62.2178.4-169.300108.8V30 K32 R41 F45 V59V30-E43 HydrophobicContact CB-CB 4.41Å; V30-E43 PolarHBondContact N-O 3.08Å; V30-E43 PolarHBondContact O-N 3.21Å; K32-E43 WeakPolarHBondContact CD-OE1 3.44Å; K32-E43 WeakPolarHBondContact CE-OE2 3.46Å; K32-E43 IonicContact NZ-OE1 3.48Å; K32-E43 PolarHBondContact NZ-OE1 2.91Å; K32-E43 IonicContact NZ-OE2 3.28Å; K32-E43 PolarHBondContact NZ-OE2 2.78Å; R41-E43 HydrophobicContact CG-CG 4.38Å; R41-E43 IonicContact CZ-OE1 3.83Å; R41-E43 IonicContact NE-OE1 3.96Å; R41-E43 PolarHBondContact NE-OE1 2.92Å; R41-E43 IonicContact NH2-OE1 3.46Å; R41-E43 PolarHBondContact NH2-OE1 2.98Å; E43-F45 HydrophobicContact CB-CD2 4.37Å; E43-F45 HydrophobicContact CB-CE2 3.5Å; E43-F45 HydrophobicContact CB-CZ 3.95Å; E43-F45 WeakPolarHBondContact OE2-CZ 3.28Å; E43-V59 HydrophobicContact CG-CG2 4.32Å
44K89.3Confident83.2Confident55 Ų5556.7 Ų56.724%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-97.3123.1175.6-178.2-166.3174.6-176.70109.9I16 C27 L29 H57 K58I16-K44 HydrophobicContact CD1-CD 4Å; I16-K44 HydrophobicContact CD1-CG 4.27Å; C27-K44 HydrophobicContact CB-CG 4.16Å; C27-K44 VanDerWaalsContact SG-CE 3.55Å; L29-K44 HydrophobicContact CD1-CB 4.29Å; K44-H57 WeakPolarHBondContact O-CA 3.41Å; K44-H57 WeakPolarHBondContact O-CB 3.35Å; K44-K58 HydrophobicContact CB-CB 4.38Å; K44-K58 PolarHBondContact N-O 3.4Å; K44-K58 PolarHBondContact O-N 3.43Å
45F88.3Confident82.4Confident6 Ų658.2 Ų58.23%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-112.6160.8173.6-59.2-89.9000110.6C27 W28 V30 E43 A50 A51 H57C27-F45 VanDerWaalsContact CB-O 3.27Å; C27-F45 WeakPolarHBondContact CB-O 3.22Å; W28-F45 HydrophobicContact CB-CB 4.24Å; W28-F45 PolarHBondContact N-O 2.96Å; W28-F45 VanDerWaalsContact N-O 3.13Å; W28-F45 PolarHBondContact O-N 2.93Å; V30-F45 HydrophobicContact CB-CE2 4.27Å; V30-F45 HydrophobicContact CG2-CD2 3.97Å; V30-F45 HydrophobicContact CG2-CE2 3.75Å; E43-F45 HydrophobicContact CB-CD2 4.37Å; E43-F45 HydrophobicContact CB-CE2 3.5Å; E43-F45 HydrophobicContact CB-CZ 3.95Å; E43-F45 WeakPolarHBondContact OE2-CZ 3.28Å; F45-A50 HydrophobicContact CB-CB 4.32Å; F45-A50 WeakPolarHBondContact CD1-O 3.43Å; F45-A51 HydrophobicContact CB-CB 4.1Å; F45-A51 VanDerWaalsContact CD1-CA 3.44Å; F45-A51 HydrophobicContact CD1-CB 4.04Å; F45-A51 HydrophobicContact CD2-CB 3.61Å; F45-A51 HydrophobicContact CE1-CB 4.38Å; F45-A51 HydrophobicContact CE2-CB 3.99Å; F45-A51 HydrophobicContact CG-CB 3.64Å; F45-A51 HydrophobicContact CZ-CB 4.37Å; F45-H57 HydrophobicContact CD1-CB 3.44Å; F45-H57 VanDerWaalsContact CD1-CB 3.44Å; F45-H57 HydrophobicContact CE1-CB 3.2Å; F45-H57 AromaticContact CE1-CG 3.54Å; F45-H57 AromaticContact CE1-ND1 3.85Å; F45-H57 HydrophobicContact CE2-CB 4.36Å; F45-H57 HydrophobicContact CG-CB 4.13Å; F45-H57 HydrophobicContact CZ-CB 3.72Å; F45-H57 AromaticContact CZ-CG 3.77Å
46S85.8Confident81.2Confident74 Ų7468.4 Ų68.452%0.51732%0.316SS..SBendtrans-64.1-4917256.90000110.6C27 A50C27-S46 WeakPolarHBondContact CA-O 3.48Å; S46-A50 WeakPolarHBondContact OG-CB 3.38Å
47D87.2Confident81.3Confident78 Ų7871.5 Ų71.542%0.41733%0.33SS..SBendtrans-147.2170-175.7-63-62.6000111.7R49 A50 A51D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 2.93Å; D47-A50 WeakPolarHBondContact O-CB 3.5Å; D47-A50 PolarHBondContact O-N 3.5Å; D47-A50 VanDerWaalsContact O-N 3.07Å; D47-A51 PolarHBondContact O-N 3.4Å
48E86.1Confident81.6Confident105 Ų10575.9 Ų75.949%0.49135%0.349SS..Hα-helixtrans-56.2-41177.1-174.1179.6-174.300112.6W28 A50 A51 Y52W28-E48 HydrophobicContact CD2-CB 4.05Å; W28-E48 HydrophobicContact CD2-CG 4.36Å; W28-E48 HydrophobicContact CE3-CB 3.98Å; W28-E48 HydrophobicContact CE3-CG 4.41Å; W28-E48 HydrophobicContact CH2-CG 4.12Å; W28-E48 HydrophobicContact CZ2-CG 4.08Å; W28-E48 HydrophobicContact CZ3-CB 4.24Å; W28-E48 HydrophobicContact CZ3-CG 4.3Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 2.98Å; E48-A51 WeakPolarHBondContact O-CA 3.29Å; E48-A51 WeakPolarHBondContact O-CB 3.25Å; E48-A51 PolarHBondContact O-N 3.36Å; E48-A51 VanDerWaalsContact O-N 3.1Å; E48-Y52 PolarHBondContact O-N 3.35Å
49R83.3Confident82.1Confident206 Ų20678.4 Ų78.478%0.77736%0.362SS*.Hα-helixtrans-61.7-40.1175.8-68.2-175.6179.5-177.6-0112.1D47 A51 Y52 F53D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 2.93Å; R49-A51 VanDerWaalsContact C-N 3.27Å; R49-A51 PolarHBondContact O-N 3.26Å; R49-Y52 WeakPolarHBondContact O-CB 3.3Å; R49-Y52 PolarHBondContact O-N 2.76Å; R49-F53 VanDerWaalsContact O-CD2 3.24Å; R49-F53 WeakPolarHBondContact O-CD2 3.11Å; R49-F53 PolarHBondContact O-N 2.88Å; R49-F53 VanDerWaalsContact O-N 3.1Å
50A81.6Confident82.3Confident18 Ų1877.7 Ų77.715%0.14936%0.358CS..Hα-helixtrans-67.1-32.6176.500000111.5F45 S46 D47 E48 R54 C55F45-A50 HydrophobicContact CB-CB 4.32Å; F45-A50 WeakPolarHBondContact CD1-O 3.43Å; S46-A50 WeakPolarHBondContact OG-CB 3.38Å; D47-A50 WeakPolarHBondContact O-CB 3.5Å; D47-A50 PolarHBondContact O-N 3.5Å; D47-A50 VanDerWaalsContact O-N 3.07Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 2.98Å; A50-R54 CarbonylContact O-C 3.57Å; A50-R54 WeakPolarHBondContact O-CA 3.37Å; A50-R54 PolarHBondContact O-N 3.02Å; A50-C55 PolarHBondContact O-N 3.1Å
51A78.9Confident82.2Confident15 Ų1580.3 Ų80.312%0.12437%0.371CS..Hα-helixtrans-67-41.3172.500000112.3W28 V30 F45 D47 E48 R49 R54W28-A51 HydrophobicContact CG-CB 4.21Å; V30-A51 HydrophobicContact CG2-CB 4.48Å; F45-A51 HydrophobicContact CB-CB 4.1Å; F45-A51 VanDerWaalsContact CD1-CA 3.44Å; F45-A51 HydrophobicContact CD1-CB 4.04Å; F45-A51 HydrophobicContact CD2-CB 3.61Å; F45-A51 HydrophobicContact CE1-CB 4.38Å; F45-A51 HydrophobicContact CE2-CB 3.99Å; F45-A51 HydrophobicContact CG-CB 3.64Å; F45-A51 HydrophobicContact CZ-CB 4.37Å; D47-A51 PolarHBondContact O-N 3.4Å; E48-A51 WeakPolarHBondContact O-CA 3.29Å; E48-A51 WeakPolarHBondContact O-CB 3.25Å; E48-A51 PolarHBondContact O-N 3.36Å; E48-A51 VanDerWaalsContact O-N 3.1Å; R49-A51 VanDerWaalsContact C-N 3.27Å; R49-A51 PolarHBondContact O-N 3.26Å; A51-R54 PolarHBondContact O-N 3.48Å
52Y78.6Confident81.9Confident159 Ų15979.7 Ų79.762%0.62437%0.369SS*.Hα-helixtrans-59.9-47.5176-175.1-97.3000111.9E48 R49 R54E48-Y52 PolarHBondContact O-N 3.35Å; R49-Y52 WeakPolarHBondContact O-CB 3.3Å; R49-Y52 PolarHBondContact O-N 2.76Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 3.28Å
53F78.7Confident81.2Confident154 Ų15483.5 Ų83.568%0.67539%0.389SS*.THydrogen-bonded Turntrans-83.20.2177.7-67.3-69000114.3R49 C55R49-F53 VanDerWaalsContact O-CD2 3.24Å; R49-F53 WeakPolarHBondContact O-CD2 3.11Å; R49-F53 PolarHBondContact O-N 2.88Å; R49-F53 VanDerWaalsContact O-N 3.1Å; F53-C55 HydrophobicContact CB-CB 4.46Å; F53-C55 PolarHBondContact O-N 2.85Å; F53-C55 VanDerWaalsContact O-N 3.08Å
54R72Confident80.6Confident106 Ų10687.6 Ų87.640%0.441%0.411SS..THydrogen-bonded Turntrans50.529-175.1-59-174.9178.9-148.6-2.8114.4A50 A51 Y52 H57A50-R54 CarbonylContact O-C 3.57Å; A50-R54 WeakPolarHBondContact O-CA 3.37Å; A50-R54 PolarHBondContact O-N 3.02Å; A51-R54 PolarHBondContact O-N 3.48Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 3.28Å; R54-H57 PolarHBondContact O-ND1 3Å
55C65.6Low80.2Confident63 Ų6385.7 Ų85.743%0.42640%0.404SS..  trans-77.9128.3-173.7-164.40000110.6A50 F53A50-C55 PolarHBondContact O-N 3.1Å; F53-C55 HydrophobicContact CB-CB 4.46Å; F53-C55 PolarHBondContact O-N 2.85Å; F53-C55 VanDerWaalsContact O-N 3.08Å
56Y59.4Low79.9Confident221 Ų22191.6 Ų91.687%0.86743%0.43SS*.SBendtrans30.485.6175.7-61.5-75.7000115.4
57H78.8Confident79.8Confident69 Ų6991.8 Ų91.832%0.31943%0.425SS..  trans-121.3149.6-176.265.8-81.8000112.5K44 F45 R54 V59K44-H57 WeakPolarHBondContact O-CA 3.41Å; K44-H57 WeakPolarHBondContact O-CB 3.35Å; F45-H57 HydrophobicContact CD1-CB 3.44Å; F45-H57 VanDerWaalsContact CD1-CB 3.44Å; F45-H57 HydrophobicContact CE1-CB 3.2Å; F45-H57 AromaticContact CE1-CG 3.54Å; F45-H57 AromaticContact CE1-ND1 3.85Å; F45-H57 HydrophobicContact CE2-CB 4.36Å; F45-H57 HydrophobicContact CG-CB 4.13Å; F45-H57 HydrophobicContact CZ-CB 3.72Å; F45-H57 AromaticContact CZ-CG 3.77Å; R54-H57 PolarHBondContact O-ND1 3Å; H57-V59 WeakPolarHBondContact CD2-CG2 3.44Å; H57-V59 VanDerWaalsContact NE2-CG2 3.33Å; H57-V59 WeakPolarHBondContact NE2-CG2 3.45Å
58K83.2Confident79.7Confident134 Ų13488.1 Ų88.158%0.58341%0.405SS*.EExtended strand (participates in β ladder)trans-94113.9175.4-176.6171.1-176.7168.10109.4K44K44-K58 HydrophobicContact CB-CB 4.38Å; K44-K58 PolarHBondContact N-O 3.4Å; K44-K58 PolarHBondContact O-N 3.43Å
59V86.6Confident79.8Confident63 Ų6384.5 Ų84.538%0.38239%0.393SS..EExtended strand (participates in β ladder)trans-86.7138.9174.8-172.20000109.9R41 L42 E43 H57R41-V59 HydrophobicContact CB-CG1 4.07Å; R41-V59 HydrophobicContact CG-CG1 4.33Å; L42-V59 CarbonylContact O-C 3.48Å; L42-V59 WeakPolarHBondContact O-CA 3.44Å; E43-V59 HydrophobicContact CG-CG2 4.32Å; H57-V59 WeakPolarHBondContact CD2-CG2 3.44Å; H57-V59 VanDerWaalsContact NE2-CG2 3.33Å; H57-V59 WeakPolarHBondContact NE2-CG2 3.45Å
60T86.4Confident79.9Confident19 Ų1978 Ų7812%0.11737%0.369CS..EExtended strand (participates in β ladder)trans-128.4116.6168.1-68.60000108.1R41 L42 L62 F84 K90R41-T60 CarbonylContact C-O 3.58Å; R41-T60 WeakPolarHBondContact CA-O 3.48Å; R41-T60 WeakPolarHBondContact CB-O 3.44Å; L42-T60 PolarHBondContact N-O 2.99Å; L42-T60 PolarHBondContact O-N 3.21Å; T60-L62 HydrophobicContact CG2-CD2 4.34Å; T60-F84 HydrophobicContact CG2-CZ 4.02Å; T60-K90 HydrophobicContact CG2-CD 3.51Å; T60-K90 VanDerWaalsContact CG2-NZ 3.3Å; T60-K90 PolarHBondContact OG1-NZ 3Å
61E86.1Confident79.8Confident109 Ų10978.5 Ų78.551%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-74.8144.2175-60.1-177.817700110.9P39P39-E61 HydrophobicContact CG-CG 4.18Å
62L83.1Confident79.4Confident1 Ų181.5 Ų81.51%0.00539%0.387CS..  trans-116.131.3-174.8-63177.8000112.2F31 K40 L42 T60 N64 V65 I82 F84 L107F31-L62 HydrophobicContact CD2-CD1 3.75Å; F31-L62 HydrophobicContact CE2-CD1 3.42Å; F31-L62 VanDerWaalsContact CE2-CD1 3.42Å; F31-L62 HydrophobicContact CZ-CD1 4.46Å; K40-L62 HydrophobicContact CB-CB 4.12Å; K40-L62 WeakPolarHBondContact O-CB 3.36Å; K40-L62 PolarHBondContact O-N 2.99Å; L42-L62 HydrophobicContact CD1-CD1 4.1Å; L42-L62 HydrophobicContact CD1-CD2 4.11Å; L42-L62 HydrophobicContact CG-CD1 3.73Å; L42-L62 HydrophobicContact CG-CD2 4.42Å; L42-L62 HydrophobicContact CG-CG 4.35Å; T60-L62 HydrophobicContact CG2-CD2 4.34Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.03Å; L62-V65 HydrophobicContact CB-CG2 3.85Å; L62-V65 HydrophobicContact CD2-CG2 3.79Å; L62-V65 HydrophobicContact CG-CG2 4.38Å; L62-I82 HydrophobicContact CD2-CD1 4.43Å; L62-I82 HydrophobicContact CD2-CG2 4.27Å; L62-F84 HydrophobicContact CD2-CE1 3.84Å; L62-F84 HydrophobicContact CD2-CZ 3.77Å; L62-L107 HydrophobicContact CD1-CD2 4.31Å
63N75.1Confident78.7Confident89 Ų8981 Ų8148%0.47639%0.388SS..THydrogen-bonded Turntrans-68.4-31.3-179.5-67.6-25.3000113P39P39-N63 WeakPolarHBondContact CB-OD1 3.45Å
64N78.3Confident77.6Confident96 Ų9679.2 Ų79.251%0.51340%0.395SS..THydrogen-bonded Turntrans-117.137.3-170.4-63.8-20.7000112.7L62 K66 F84 N85L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.03Å; N64-K66 PolarHBondContact O-N 2.79Å; N64-F84 CarbonylContact O-C 3.51Å; N64-F84 WeakPolarHBondContact O-CA 3.38Å; N64-N85 HydrophobicContact CB-CB 4.32Å; N64-N85 PolarHBondContact O-N 2.88Å
65V81.8Confident77.1Confident15 Ų1578.5 Ų78.59%0.09140%0.403CS..EExtended strand (participates in β ladder)trans-75.6118.1178.6177.70000109.4L62 V68 I82 F84 C111 V112L62-V65 HydrophobicContact CB-CG2 3.85Å; L62-V65 HydrophobicContact CD2-CG2 3.79Å; L62-V65 HydrophobicContact CG-CG2 4.38Å; V65-V68 HydrophobicContact CG1-CG2 3.65Å; V65-I82 HydrophobicContact CB-CG2 4.48Å; V65-I82 HydrophobicContact CG1-CG2 3.86Å; V65-I82 HydrophobicContact CG2-CG2 3.82Å; V65-F84 HydrophobicContact CG2-CD1 4.2Å; V65-F84 HydrophobicContact CG2-CE1 3.95Å; V65-C111 HydrophobicContact CB-CB 3.92Å; V65-C111 HydrophobicContact CG1-CB 3.96Å; V65-C111 HydrophobicContact CG2-CB 4.17Å; V65-V112 HydrophobicContact CG1-CG2 4.46Å
66K81.8Confident77Confident130 Ų13078.6 Ų78.657%0.56540%0.396SS*.EExtended strand (participates in β ladder)trans-78.1-47.5176-171.8175.3178.6175.30111.5N64 Y83 N85N64-K66 PolarHBondContact O-N 2.79Å; K66-Y83 WeakPolarHBondContact CB-O 3.4Å; K66-Y83 PolarHBondContact N-O 3.36Å; K66-N85 WeakPolarHBondContact CB-OD1 3.38Å
67N82.6Confident77.5Confident78 Ų7875.7 Ų75.742%0.41739%0.388SS..EExtended strand (participates in β ladder)trans-157.2151.8-174.5-168.510.4000110.5Y83N67-Y83 HydrophobicContact CB-CD2 4.5Å; N67-Y83 PolarHBondContact N-O 3.24Å; N67-Y83 PolarHBondContact O-N 2.87Å
68V86.6Confident77.6Confident0 Ų074.8 Ų74.80%038%0.383CS..EExtended strand (participates in β ladder)trans-127123169.9-176.70000107.6V65 I80 G81 I82 L107 Q108V65-V68 HydrophobicContact CG1-CG2 3.65Å; V68-I80 HydrophobicContact CG1-CG2 3.8Å; V68-G81 WeakPolarHBondContact CA-O 3.3Å; V68-I82 HydrophobicContact CG1-CG1 4.33Å; V68-I82 HydrophobicContact CG2-CG1 4.32Å; V68-I82 HydrophobicContact CG2-CG2 4.38Å; V68-L107 HydrophobicContact CB-CB 4.41Å; V68-L107 HydrophobicContact CG1-CB 3.86Å; V68-L107 HydrophobicContact CG1-CD1 4.18Å; V68-L107 HydrophobicContact CG2-CB 4.15Å; V68-Q108 HydrophobicContact CB-CG 3.91Å; V68-Q108 HydrophobicContact CG1-CG 4.5Å; V68-Q108 PolarHBondContact O-NE2 2.79Å
69A86.4Confident77.7Confident29 Ų2968.5 Ų68.524%0.2436%0.356CS..EExtended strand (participates in β ladder)trans-138.7152.6-175.600000112.5G81 Y83A69-G81 PolarHBondContact N-O 2.88Å; A69-G81 PolarHBondContact O-N 2.86Å; A69-Y83 HydrophobicContact CB-CE2 4.25Å
70R85.3Confident77.8Confident69 Ų6965.5 Ų65.526%0.2634%0.338SS..EExtended strand (participates in β ladder)trans-73.3132169.1-63.7-72.6-86.91200.5108.8H78 A79 D97 A100 D101 C104R70-H78 VanDerWaalsContact NH1-C 3.31Å; R70-A79 PolarHBondContact NH1-O 2.97Å; R70-D97 IonicContact NH2-OD1 3.87Å; R70-D97 PolarHBondContact NH2-OD1 3.31Å; R70-A100 VanDerWaalsContact NH1-CB 3.26Å; R70-D101 IonicContact CZ-OD1 3.52Å; R70-D101 IonicContact NE-OD1 3.42Å; R70-D101 PolarHBondContact NE-OD1 3.35Å; R70-D101 IonicContact NH2-OD1 2.68Å; R70-D101 PolarHBondContact NH2-OD1 2.9Å; R70-C104 HydrophobicContact CG-CB 4.27Å
71L80.8Confident77.9Confident30 Ų3064.6 Ų64.616%0.15733%0.333CS..PPolyproline II helixtrans-79.1147173.6-74.497.3000110.3A79 T91L71-A79 HydrophobicContact CB-CB 4.12Å; L71-A79 HydrophobicContact CD1-CB 4.01Å; L71-A79 PolarHBondContact N-O 2.99Å; L71-T91 HydrophobicContact CD1-CG2 4.05Å; L71-T91 HydrophobicContact CD2-CG2 4.38Å
72P70.7Confident78.1Confident77 Ų7759.4 Ų59.450%0.531%0.308SS..PPolyproline II helixtrans-56140.1178.8-23.932.6000112.6S74 T75 K76P72-S74 PolarHBondContact O-N 2.91Å; P72-S74 VanDerWaalsContact O-N 3.1Å; P72-T75 PolarHBondContact O-N 2.9Å; P72-K76 PolarHBondContact O-N 2.71Å
73K63.5Low78.2Confident148 Ų14863.6 Ų63.664%0.64333%0.325SS*.THydrogen-bonded Turntrans-58.8-23.7178.8-63.4-170.5-176.8-160.70113D97K73-D97 IonicContact NZ-OD2 3.85Å; K73-D97 PolarHBondContact NZ-OD2 2.87Å
74S56Low78.8Confident117 Ų11760 Ų6082%0.81831%0.305SS*.THydrogen-bonded Turntrans-70.4-28.8176.764.20000113.3P72P72-S74 PolarHBondContact O-N 2.91Å; P72-S74 VanDerWaalsContact O-N 3.1Å
75T60.7Low79Confident92 Ų9260.1 Ų60.156%0.56431%0.305SS*.THydrogen-bonded Turntrans-91.4-46-177.6-20.90000110.6P72P72-T75 PolarHBondContact O-N 2.9Å
76K63.3Low79.1Confident64 Ų6464.1 Ų64.128%0.27833%0.326SS..  trans-157.4129.2180-59.1-177.6-170.9174.10111.3Y24 P72 H78 A79Y24-K76 VanDerWaalsContact OH-CD 3.3Å; Y24-K76 WeakPolarHBondContact OH-CD 3.48Å; Y24-K76 WeakPolarHBondContact OH-CE 3.41Å; Y24-K76 PolarHBondContact OH-NZ 3.4Å; P72-K76 PolarHBondContact O-N 2.71Å; K76-H78 PolarHBondContact O-N 3.48Å; K76-A79 HydrophobicContact CB-CB 3.74Å; K76-A79 HydrophobicContact CD-CB 4.42Å
77K69.4Low79Confident161 Ų16164.7 Ų64.770%0.734%0.336SS*.THydrogen-bonded Turntrans-64.5133.4173.3-63.4-173.6178.5-177.20110.4A79K77-A79 VanDerWaalsContact C-N 3.29Å; K77-A79 PolarHBondContact O-N 2.99Å
78H81.8Confident79.2Confident50 Ų5063.9 Ų63.923%0.23133%0.334CS..THydrogen-bonded Turntrans60.826.1170.3-35.9-44.7000115.9R70 K76 A93 C94 D97 A100R70-H78 VanDerWaalsContact NH1-C 3.31Å; K76-H78 PolarHBondContact O-N 3.48Å; H78-A93 WeakPolarHBondContact O-CA 3.28Å; H78-C94 WeakPolarHBondContact CB-O 3.4Å; H78-C94 PolarHBondContact O-N 3.39Å; H78-D97 IonicContact CE1-OD1 3.51Å; H78-D97 IonicContact CE1-OD2 3.85Å; H78-D97 IonicContact CG-OD1 2.74Å; H78-D97 IonicContact ND1-OD1 2.99Å; H78-D97 PolarHBondContact ND1-OD1 2.92Å; H78-D97 IonicContact ND1-OD2 2.8Å; H78-A100 HydrophobicContact CB-CB 4.46Å
79A85.9Confident79.1Confident2 Ų266.7 Ų66.72%0.01735%0.353CS..EExtended strand (participates in β ladder)trans-91.9147.4-177.400000114.2R70 L71 K76 K77 F92 A93R70-A79 PolarHBondContact NH1-O 2.97Å; L71-A79 HydrophobicContact CB-CB 4.12Å; L71-A79 HydrophobicContact CD1-CB 4.01Å; L71-A79 PolarHBondContact N-O 2.99Å; K76-A79 HydrophobicContact CB-CB 3.74Å; K76-A79 HydrophobicContact CD-CB 4.42Å; K77-A79 VanDerWaalsContact C-N 3.29Å; K77-A79 PolarHBondContact O-N 2.99Å; A79-F92 CarbonylContact C-O 2.96Å; A79-F92 WeakPolarHBondContact CA-O 3.29Å; A79-A93 HydrophobicContact CB-CB 4.35Å
80I88.3Confident79.2Confident0 Ų068.7 Ų68.70%036%0.357CS..EExtended strand (participates in β ladder)trans-124.7138.1176.5-54.7173.8000108.5V68 T91 F92 A100 W103 C104 L107V68-I80 HydrophobicContact CG1-CG2 3.8Å; I80-T91 VanDerWaalsContact O-CA 3.22Å; I80-T91 WeakPolarHBondContact O-CA 3.49Å; I80-F92 HydrophobicContact CB-CE1 4.25Å; I80-F92 HydrophobicContact CB-CE2 4.31Å; I80-F92 HydrophobicContact CB-CZ 4.06Å; I80-F92 HydrophobicContact CD1-CE2 3.74Å; I80-F92 HydrophobicContact CD1-CZ 3.8Å; I80-F92 HydrophobicContact CG1-CE2 4.43Å; I80-F92 HydrophobicContact CG2-CE1 4.33Å; I80-F92 HydrophobicContact CG2-CZ 4.26Å; I80-F92 PolarHBondContact N-O 2.9Å; I80-F92 PolarHBondContact O-N 2.98Å; I80-F92 VanDerWaalsContact O-N 3.08Å; I80-A100 HydrophobicContact CD1-CB 4.14Å; I80-A100 WeakPolarHBondContact CD1-O 3.22Å; I80-A100 HydrophobicContact CG1-CB 4.17Å; I80-W103 HydrophobicContact CD1-CB 3.3Å; I80-W103 HydrophobicContact CD1-CG 4.31Å; I80-C104 HydrophobicContact CD1-CB 4.29Å; I80-L107 HydrophobicContact CG2-CD1 4.47Å
81G88.8Confident79.3Confident0 Ų067.4 Ų67.40%036%0.357CS..EExtended strand (participates in β ladder)trans-117.4127.5176.900000110.7V68 A69 K90V68-G81 WeakPolarHBondContact CA-O 3.3Å; A69-G81 PolarHBondContact N-O 2.88Å; A69-G81 PolarHBondContact O-N 2.86Å; G81-K90 WeakPolarHBondContact CA-O 3.31Å
82I89.4Confident79.8Confident0 Ų066.3 Ų66.30%035%0.351CS..EExtended strand (participates in β ladder)trans-102.6119169.5-57172.7000106.3L42 L62 V65 V68 F84 S89 K90 F92 L107L42-I82 HydrophobicContact CD1-CD1 3.41Å; L42-I82 VanDerWaalsContact CD1-CD1 3.41Å; L62-I82 HydrophobicContact CD2-CD1 4.43Å; L62-I82 HydrophobicContact CD2-CG2 4.27Å; V65-I82 HydrophobicContact CB-CG2 4.48Å; V65-I82 HydrophobicContact CG1-CG2 3.86Å; V65-I82 HydrophobicContact CG2-CG2 3.82Å; V68-I82 HydrophobicContact CG1-CG1 4.33Å; V68-I82 HydrophobicContact CG2-CG1 4.32Å; V68-I82 HydrophobicContact CG2-CG2 4.38Å; I82-F84 HydrophobicContact CB-CE2 4.4Å; I82-F84 HydrophobicContact CG2-CD2 4.46Å; I82-F84 HydrophobicContact CG2-CE1 4.4Å; I82-F84 HydrophobicContact CG2-CE2 3.87Å; I82-F84 HydrophobicContact CG2-CZ 3.84Å; I82-S89 CarbonylContact O-C 3.6Å; I82-S89 WeakPolarHBondContact O-CA 3.44Å; I82-K90 PolarHBondContact N-O 3.49Å; I82-K90 PolarHBondContact O-N 2.92Å; I82-F92 HydrophobicContact CD1-CE1 4.08Å; I82-L107 HydrophobicContact CD1-CD1 4.01Å; I82-L107 HydrophobicContact CD1-CD2 4.35Å; I82-L107 HydrophobicContact CG1-CD1 4.29Å
83Y86.4Confident80.7Confident89 Ų8963.3 Ų63.335%0.34933%0.332SS..EExtended strand (participates in β ladder)trans-105.6127.8179.4-59-89.4000108.5K66 N67 A69K66-Y83 WeakPolarHBondContact CB-O 3.4Å; K66-Y83 PolarHBondContact N-O 3.36Å; N67-Y83 HydrophobicContact CB-CD2 4.5Å; N67-Y83 PolarHBondContact N-O 3.24Å; N67-Y83 PolarHBondContact O-N 2.87Å; A69-Y83 HydrophobicContact CB-CE2 4.25Å
84F86.4Confident81.9Confident12 Ų1256.4 Ų56.45%0.05330%0.303CS..EExtended strand (participates in β ladder)trans-98.4163.5-179.5-65.1-90.6000110.4T60 L62 N64 V65 I82 D86 D87 T88 K90T60-F84 HydrophobicContact CG2-CZ 4.02Å; L62-F84 HydrophobicContact CD2-CE1 3.84Å; L62-F84 HydrophobicContact CD2-CZ 3.77Å; N64-F84 CarbonylContact O-C 3.51Å; N64-F84 WeakPolarHBondContact O-CA 3.38Å; V65-F84 HydrophobicContact CG2-CD1 4.2Å; V65-F84 HydrophobicContact CG2-CE1 3.95Å; I82-F84 HydrophobicContact CB-CE2 4.4Å; I82-F84 HydrophobicContact CG2-CD2 4.46Å; I82-F84 HydrophobicContact CG2-CE1 4.4Å; I82-F84 HydrophobicContact CG2-CE2 3.87Å; I82-F84 HydrophobicContact CG2-CZ 3.84Å; F84-D86 WeakPolarHBondContact CB-OD1 3.23Å; F84-D86 PolarHBondContact O-N 2.7Å; F84-D87 PolarHBondContact O-N 3.03Å; F84-T88 WeakPolarHBondContact CD2-O 3.36Å; F84-T88 WeakPolarHBondContact CD2-OG1 3.21Å; F84-T88 PolarHBondContact N-O 2.97Å; F84-K90 HydrophobicContact CE2-CB 4.15Å; F84-K90 HydrophobicContact CE2-CD 3.73Å; F84-K90 HydrophobicContact CE2-CG 3.83Å; F84-K90 HydrophobicContact CZ-CD 3.93Å
85N83.6Confident83.3Confident99 Ų9955.5 Ų55.553%0.52929%0.285SS..THydrogen-bonded Turntrans-70-15.4176.7-69.1-26.2000113.3N64 K66 D87N64-N85 HydrophobicContact CB-CB 4.32Å; N64-N85 PolarHBondContact O-N 2.88Å; K66-N85 WeakPolarHBondContact CB-OD1 3.38Å; N85-D87 PolarHBondContact O-N 3.48Å
86D84Confident84.5Confident99 Ų9953.4 Ų53.453%0.52928%0.275SS..THydrogen-bonded Turntrans-87.718.1176.467.1-6.5000112.7F84 T88F84-D86 WeakPolarHBondContact CB-OD1 3.23Å; F84-D86 PolarHBondContact O-N 2.7Å; D86-T88 VanDerWaalsContact CG-OG1 3.29Å; D86-T88 PolarHBondContact O-N 2.88Å; D86-T88 VanDerWaalsContact OD1-CB 3.22Å; D86-T88 WeakPolarHBondContact OD1-CB 3.47Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.25Å; D86-T88 PolarHBondContact OD1-N 3.42Å; D86-T88 PolarHBondContact OD1-OG1 2.94Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.3Å; D86-T88 PolarHBondContact OD2-OG1 3.42Å
87D79.1Confident85.5Confident142 Ų14252.4 Ų52.476%0.75927%0.272SS*.SBendtrans577.4-172.2-66.4-35.2000115.2F84 N85F84-D87 PolarHBondContact O-N 3.03Å; N85-D87 PolarHBondContact O-N 3.48Å
88T85.6Confident86.4Confident62 Ų6251.2 Ų51.238%0.3827%0.273SS..  trans-76.4151.9170.474.70000110.2F84 D86F84-T88 WeakPolarHBondContact CD2-O 3.36Å; F84-T88 WeakPolarHBondContact CD2-OG1 3.21Å; F84-T88 PolarHBondContact N-O 2.97Å; D86-T88 VanDerWaalsContact CG-OG1 3.29Å; D86-T88 PolarHBondContact O-N 2.88Å; D86-T88 VanDerWaalsContact OD1-CB 3.22Å; D86-T88 WeakPolarHBondContact OD1-CB 3.47Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.25Å; D86-T88 PolarHBondContact OD1-N 3.42Å; D86-T88 PolarHBondContact OD1-OG1 2.94Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.3Å; D86-T88 PolarHBondContact OD2-OG1 3.42Å
89S85.9Confident86.7Confident59 Ų5950.5 Ų50.541%0.41327%0.269SS..EExtended strand (participates in β ladder)trans-134.7148.5172.462.50000111.5I82I82-S89 CarbonylContact O-C 3.6Å; I82-S89 WeakPolarHBondContact O-CA 3.44Å
90K87.3Confident86.8Confident70 Ų7050.4 Ų50.430%0.30427%0.269SS..EExtended strand (participates in β ladder)trans-123132.6172.3-70175.5-162.6-116.20108.7T60 G81 I82 F84T60-K90 HydrophobicContact CG2-CD 3.51Å; T60-K90 VanDerWaalsContact CG2-NZ 3.3Å; T60-K90 PolarHBondContact OG1-NZ 3Å; G81-K90 WeakPolarHBondContact CA-O 3.31Å; I82-K90 PolarHBondContact N-O 3.49Å; I82-K90 PolarHBondContact O-N 2.92Å; F84-K90 HydrophobicContact CE2-CB 4.15Å; F84-K90 HydrophobicContact CE2-CD 3.73Å; F84-K90 HydrophobicContact CE2-CG 3.83Å; F84-K90 HydrophobicContact CZ-CD 3.93Å
91T88.9Confident86.7Confident43 Ų4354.4 Ų54.426%0.26429%0.29SS..EExtended strand (participates in β ladder)trans-125.1140.9-179.355.60000110.4L71 I80L71-T91 HydrophobicContact CD1-CG2 4.05Å; L71-T91 HydrophobicContact CD2-CG2 4.38Å; I80-T91 VanDerWaalsContact O-CA 3.22Å; I80-T91 WeakPolarHBondContact O-CA 3.49Å
92F89.9Confident86.7Confident7 Ų759.3 Ų59.33%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-140.8155171.464.1-89.4000109.5V14 R15 I16 L29 A79 I80 I82 W103 L107V14-F92 HydrophobicContact CB-CB 4.44Å; V14-F92 HydrophobicContact CB-CD2 3.94Å; V14-F92 HydrophobicContact CG1-CD2 3.75Å; V14-F92 HydrophobicContact CG1-CE2 4.08Å; V14-F92 HydrophobicContact CG2-CB 4.34Å; V14-F92 HydrophobicContact CG2-CD2 4.35Å; R15-F92 WeakPolarHBondContact O-CA 3.16Å; I16-F92 HydrophobicContact CD1-CB 4.31Å; I16-F92 HydrophobicContact CG1-CB 3.69Å; L29-F92 HydrophobicContact CD2-CD1 4.24Å; L29-F92 HydrophobicContact CD2-CD2 4.31Å; L29-F92 HydrophobicContact CD2-CE1 4.24Å; L29-F92 HydrophobicContact CD2-CE2 4.29Å; L29-F92 HydrophobicContact CD2-CG 4.28Å; L29-F92 HydrophobicContact CD2-CZ 4.25Å; A79-F92 CarbonylContact C-O 2.96Å; A79-F92 WeakPolarHBondContact CA-O 3.29Å; I80-F92 HydrophobicContact CB-CE1 4.25Å; I80-F92 HydrophobicContact CB-CE2 4.31Å; I80-F92 HydrophobicContact CB-CZ 4.06Å; I80-F92 HydrophobicContact CD1-CE2 3.74Å; I80-F92 HydrophobicContact CD1-CZ 3.8Å; I80-F92 HydrophobicContact CG1-CE2 4.43Å; I80-F92 HydrophobicContact CG2-CE1 4.33Å; I80-F92 HydrophobicContact CG2-CZ 4.26Å; I80-F92 PolarHBondContact N-O 2.9Å; I80-F92 PolarHBondContact O-N 2.98Å; I80-F92 VanDerWaalsContact O-N 3.08Å; I82-F92 HydrophobicContact CD1-CE1 4.08Å; F92-W103 HydrophobicContact CE2-CB 4.3Å; F92-W103 HydrophobicContact CE2-CD2 4.21Å; F92-W103 HydrophobicContact CE2-CG 4.12Å; F92-W103 HydrophobicContact CZ-CB 4.35Å; F92-W103 HydrophobicContact CZ-CD2 4.38Å; F92-W103 HydrophobicContact CZ-CE3 4.29Å; F92-W103 HydrophobicContact CZ-CG 4.44Å; F92-L107 HydrophobicContact CE1-CD1 4Å; F92-L107 HydrophobicContact CZ-CD1 3.79Å
93A89.7Confident86.7Confident13 Ų1359.3 Ų59.311%0.10731%0.313CS..EExtended strand (participates in β ladder)trans-116.5134.1179.100000110.6R15 H78 A79R15-A93 HydrophobicContact CB-CB 4.37Å; R15-A93 PolarHBondContact N-O 3.29Å; R15-A93 PolarHBondContact O-N 2.86Å; H78-A93 WeakPolarHBondContact O-CA 3.28Å; A79-A93 HydrophobicContact CB-CB 4.35Å
94C88.8Confident86.7Confident4 Ų455.4 Ų55.43%0.02730%0.299CS..  trans-92.2173.2179.6-49.10000110.9H78 E99 A100H78-C94 WeakPolarHBondContact CB-O 3.4Å; H78-C94 PolarHBondContact O-N 3.39Å; C94-E99 HydrophobicContact CB-CB 4.16Å; C94-E99 HydrophobicContact CB-CG 4.33Å; C94-E99 WeakPolarHBondContact CB-OE2 3.3Å; C94-A100 HydrophobicContact CB-CB 3.87Å
95E85.4Confident86.8Confident98 Ų9861.4 Ų61.446%0.45833%0.325SS..SBendtrans-81.8-24.5-178.3-66-174.6175.100112.4R26 E99R26-E95 IonicContact CZ-OE1 2.9Å; R26-E95 IonicContact NE-OE1 3.43Å; R26-E95 PolarHBondContact NE-OE1 3.41Å; R26-E95 IonicContact NH2-OE1 2.71Å; R26-E95 PolarHBondContact NH2-OE1 3.25Å; E95-E99 PolarHBondContact N-OE2 2.9Å
96S86.3Confident86.9Confident48 Ų4858.4 Ų58.434%0.33631%0.31SS..SBendtrans-138.5164176.970.40000113.1E99 A100S96-E99 WeakPolarHBondContact OG-CB 3.42Å; S96-E99 PolarHBondContact OG-N 3.48Å; S96-E99 VanDerWaalsContact OG-N 3.07Å; S96-A100 WeakPolarHBondContact O-CB 3.27Å; S96-A100 PolarHBondContact O-N 2.91Å; S96-A100 VanDerWaalsContact O-N 3.13Å
97D85.4Confident87Confident43 Ų4353.7 Ų53.723%0.2329%0.285CS..Hα-helixtrans-64.3-40.1172.5-89.3-24.8000111.5R70 K73 H78 A100 D101R70-D97 IonicContact NH2-OD1 3.87Å; R70-D97 PolarHBondContact NH2-OD1 3.31Å; K73-D97 IonicContact NZ-OD2 3.85Å; K73-D97 PolarHBondContact NZ-OD2 2.87Å; H78-D97 IonicContact CE1-OD1 3.51Å; H78-D97 IonicContact CE1-OD2 3.85Å; H78-D97 IonicContact CG-OD1 2.74Å; H78-D97 IonicContact ND1-OD1 2.99Å; H78-D97 PolarHBondContact ND1-OD1 2.92Å; H78-D97 IonicContact ND1-OD2 2.8Å; D97-A100 PolarHBondContact O-N 2.97Å; D97-D101 PolarHBondContact O-N 2.85Å
98L86.8Confident87.3Confident135 Ų13550.8 Ų50.871%0.70727%0.266SS*.Hα-helixtrans-59-48.9176.7-68.2170.6000111.7A100 D101 E102L98-A100 VanDerWaalsContact C-N 3.27Å; L98-A100 PolarHBondContact O-N 3.08Å; L98-D101 PolarHBondContact O-N 3.13Å; L98-E102 WeakPolarHBondContact O-CG 3.47Å; L98-E102 PolarHBondContact O-N 2.9Å
99E88.5Confident87Confident35 Ų3553 Ų5316%0.16427%0.274CS..Hα-helixtrans-62.5-39.7179.2-162.7-157.2164.900110.9C94 E95 S96 D101 E102 W103C94-E99 HydrophobicContact CB-CB 4.16Å; C94-E99 HydrophobicContact CB-CG 4.33Å; C94-E99 WeakPolarHBondContact CB-OE2 3.3Å; E95-E99 PolarHBondContact N-OE2 2.9Å; S96-E99 WeakPolarHBondContact OG-CB 3.42Å; S96-E99 PolarHBondContact OG-N 3.48Å; S96-E99 VanDerWaalsContact OG-N 3.07Å; E99-D101 VanDerWaalsContact C-N 3.34Å; E99-D101 PolarHBondContact O-N 2.8Å; E99-E102 PolarHBondContact O-N 3.44Å; E99-W103 WeakPolarHBondContact O-CB 3.1Å; E99-W103 PolarHBondContact O-N 2.99Å; E99-W103 PolarHBondContact OE1-NE1 3.22Å
100A87.3Confident86.7Confident0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-68-35178.800000112.8R70 H78 I80 C94 S96 D97 L98 C104R70-A100 VanDerWaalsContact NH1-CB 3.26Å; H78-A100 HydrophobicContact CB-CB 4.46Å; I80-A100 HydrophobicContact CD1-CB 4.14Å; I80-A100 WeakPolarHBondContact CD1-O 3.22Å; I80-A100 HydrophobicContact CG1-CB 4.17Å; C94-A100 HydrophobicContact CB-CB 3.87Å; S96-A100 WeakPolarHBondContact O-CB 3.27Å; S96-A100 PolarHBondContact O-N 2.91Å; S96-A100 VanDerWaalsContact O-N 3.13Å; D97-A100 PolarHBondContact O-N 2.97Å; L98-A100 VanDerWaalsContact C-N 3.27Å; L98-A100 PolarHBondContact O-N 3.08Å; A100-C104 VanDerWaalsContact O-CB 3.25Å; A100-C104 WeakPolarHBondContact O-CB 3.08Å; A100-C104 PolarHBondContact O-N 2.8Å
101D86.4Confident86.2Confident84 Ų8450.6 Ų50.645%0.44926%0.259SS..Hα-helixtrans-69-40175-65.6-14.7000110.9R70 D97 L98 E99 C104 K105R70-D101 IonicContact CZ-OD1 3.52Å; R70-D101 IonicContact NE-OD1 3.42Å; R70-D101 PolarHBondContact NE-OD1 3.35Å; R70-D101 IonicContact NH2-OD1 2.68Å; R70-D101 PolarHBondContact NH2-OD1 2.9Å; D97-D101 PolarHBondContact O-N 2.85Å; L98-D101 PolarHBondContact O-N 3.13Å; E99-D101 VanDerWaalsContact C-N 3.34Å; E99-D101 PolarHBondContact O-N 2.8Å; D101-C104 PolarHBondContact O-N 2.79Å; D101-K105 VanDerWaalsContact O-CB 3.29Å; D101-K105 WeakPolarHBondContact O-CB 3.33Å; D101-K105 PolarHBondContact O-N 2.81Å
102E89Confident85.4Confident104 Ų10450.6 Ų50.649%0.48626%0.259SS..Hα-helixtrans-60.8-49.6172.4-72.4-178.1172.600112.5K10 L98 E99 C104 K105 V106K10-E102 IonicContact NZ-OE2 3.21Å; K10-E102 PolarHBondContact NZ-OE2 2.8Å; L98-E102 WeakPolarHBondContact O-CG 3.47Å; L98-E102 PolarHBondContact O-N 2.9Å; E99-E102 PolarHBondContact O-N 3.44Å; E102-C104 VanDerWaalsContact C-N 3.3Å; E102-C104 PolarHBondContact O-N 2.69Å; E102-K105 PolarHBondContact O-N 3.47Å; E102-V106 WeakPolarHBondContact O-CB 3.44Å; E102-V106 VanDerWaalsContact O-CG2 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.5Å; E102-V106 PolarHBondContact O-N 3.21Å
103W89.8Confident83.9Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-58.7-43.4176.3-86.8110.9000111.3K10 V14 L29 F31 I80 F92 E99 L107K10-W103 HydrophobicContact CB-CE3 4.3Å; K10-W103 HydrophobicContact CB-CH2 4.03Å; K10-W103 HydrophobicContact CB-CZ3 3.91Å; K10-W103 HydrophobicContact CD-CD2 3.56Å; K10-W103 HydrophobicContact CD-CE3 3.8Å; K10-W103 HydrophobicContact CD-CG 3.93Å; K10-W103 HydrophobicContact CD-CH2 4.4Å; K10-W103 HydrophobicContact CD-CZ2 4.2Å; K10-W103 HydrophobicContact CD-CZ3 4.21Å; K10-W103 HydrophobicContact CG-CD2 4.14Å; K10-W103 HydrophobicContact CG-CE3 4.17Å; K10-W103 HydrophobicContact CG-CH2 3.91Å; K10-W103 HydrophobicContact CG-CZ2 3.87Å; K10-W103 HydrophobicContact CG-CZ3 4.05Å; V14-W103 HydrophobicContact CG1-CZ2 4.45Å; L29-W103 HydrophobicContact CD2-CH2 4.41Å; L29-W103 HydrophobicContact CD2-CZ3 4.47Å; L29-W103 HydrophobicContact CG-CH2 4.47Å; F31-W103 HydrophobicContact CB-CH2 4.41Å; F31-W103 HydrophobicContact CB-CZ3 3.74Å; I80-W103 HydrophobicContact CD1-CB 3.3Å; I80-W103 HydrophobicContact CD1-CG 4.31Å; F92-W103 HydrophobicContact CE2-CB 4.3Å; F92-W103 HydrophobicContact CE2-CD2 4.21Å; F92-W103 HydrophobicContact CE2-CG 4.12Å; F92-W103 HydrophobicContact CZ-CB 4.35Å; F92-W103 HydrophobicContact CZ-CD2 4.38Å; F92-W103 HydrophobicContact CZ-CE3 4.29Å; F92-W103 HydrophobicContact CZ-CG 4.44Å; E99-W103 WeakPolarHBondContact O-CB 3.1Å; E99-W103 PolarHBondContact O-N 2.99Å; E99-W103 PolarHBondContact OE1-NE1 3.22Å; W103-L107 VanDerWaalsContact O-CB 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CD1 3.34Å; W103-L107 VanDerWaalsContact O-CG 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.1Å; W103-L107 PolarHBondContact O-N 2.86Å
104C87.4Confident81.7Confident7 Ų757 Ų575%0.04731%0.305CS..Hα-helixtrans-66.1-45-179.4-1630000111.4R70 I80 A100 D101 E102 L107 Q108R70-C104 HydrophobicContact CG-CB 4.27Å; I80-C104 HydrophobicContact CD1-CB 4.29Å; A100-C104 VanDerWaalsContact O-CB 3.25Å; A100-C104 WeakPolarHBondContact O-CB 3.08Å; A100-C104 PolarHBondContact O-N 2.8Å; D101-C104 PolarHBondContact O-N 2.79Å; E102-C104 VanDerWaalsContact C-N 3.3Å; E102-C104 PolarHBondContact O-N 2.69Å; C104-L107 PolarHBondContact O-N 2.98Å; C104-Q108 WeakPolarHBondContact O-CB 3.2Å; C104-Q108 VanDerWaalsContact O-CG 3.23Å; C104-Q108 WeakPolarHBondContact O-CG 3.49Å; C104-Q108 PolarHBondContact O-N 3.39Å; C104-Q108 PolarHBondContact SG-NE2 3.48Å
105K86.7Confident79.6Confident137 Ų13766.1 Ų66.160%0.59634%0.338SS*.Hα-helixtrans-59.9-47.5177.3-177.3178.9-179.5179.40111.7D101 E102 Q108 M109D101-K105 VanDerWaalsContact O-CB 3.29Å; D101-K105 WeakPolarHBondContact O-CB 3.33Å; D101-K105 PolarHBondContact O-N 2.81Å; E102-K105 PolarHBondContact O-N 3.47Å; K105-Q108 PolarHBondContact O-N 3.47Å; K105-M109 VanDerWaalsContact O-CB 3.3Å; K105-M109 WeakPolarHBondContact O-CB 3.43Å; K105-M109 PolarHBondContact O-N 2.79Å
106V86.4Confident77.5Confident36 Ų3668.3 Ų68.322%0.21835%0.352CS..Hα-helixtrans-63.9-45.3179.7168.20000111.2V9 K10 F31 E102 M109 E110V9-V106 HydrophobicContact CB-CG1 4.37Å; V9-V106 HydrophobicContact CG1-CG1 3.38Å; K10-V106 HydrophobicContact CB-CG1 4.41Å; K10-V106 HydrophobicContact CD-CG2 4.48Å; F31-V106 HydrophobicContact CD1-CG1 3.78Å; F31-V106 HydrophobicContact CE1-CG1 3.78Å; E102-V106 WeakPolarHBondContact O-CB 3.44Å; E102-V106 VanDerWaalsContact O-CG2 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.5Å; E102-V106 PolarHBondContact O-N 3.21Å; V106-M109 PolarHBondContact O-N 3.06Å; V106-E110 WeakPolarHBondContact O-CB 3.47Å; V106-E110 WeakPolarHBondContact O-CG 3.41Å; V106-E110 PolarHBondContact O-N 2.91Å
107L86.8Confident75.3Confident0 Ų072 Ų720%037%0.368CS..Hα-helixtrans-65.9-39.4177.9-75.4168.4000112.2F31 L62 V68 I80 I82 F92 W103 C104 C111F31-L107 HydrophobicContact CD1-CD2 4.05Å; F31-L107 HydrophobicContact CD2-CD2 4Å; F31-L107 HydrophobicContact CE1-CD2 4.03Å; F31-L107 HydrophobicContact CE2-CD2 4.01Å; F31-L107 HydrophobicContact CG-CD2 4.04Å; F31-L107 HydrophobicContact CZ-CD2 4.01Å; L62-L107 HydrophobicContact CD1-CD2 4.31Å; V68-L107 HydrophobicContact CB-CB 4.41Å; V68-L107 HydrophobicContact CG1-CB 3.86Å; V68-L107 HydrophobicContact CG1-CD1 4.18Å; V68-L107 HydrophobicContact CG2-CB 4.15Å; I80-L107 HydrophobicContact CG2-CD1 4.47Å; I82-L107 HydrophobicContact CD1-CD1 4.01Å; I82-L107 HydrophobicContact CD1-CD2 4.35Å; I82-L107 HydrophobicContact CG1-CD1 4.29Å; F92-L107 HydrophobicContact CE1-CD1 4Å; F92-L107 HydrophobicContact CZ-CD1 3.79Å; W103-L107 VanDerWaalsContact O-CB 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CD1 3.34Å; W103-L107 VanDerWaalsContact O-CG 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.1Å; W103-L107 PolarHBondContact O-N 2.86Å; C104-L107 PolarHBondContact O-N 2.98Å; L107-C111 WeakPolarHBondContact O-CB 3.37Å; L107-C111 PolarHBondContact O-N 3.46Å; L107-C111 PolarHBondContact O-SG 2.94Å
108Q84.5Confident73.2Confident81 Ų8177.5 Ų77.538%0.37940%0.397SS..Hα-helixtrans-63.5-50175.3-76.1173.7-7.400111.2V68 C104 K105 E110 V112 G113V68-Q108 HydrophobicContact CB-CG 3.91Å; V68-Q108 HydrophobicContact CG1-CG 4.5Å; V68-Q108 PolarHBondContact O-NE2 2.79Å; C104-Q108 WeakPolarHBondContact O-CB 3.2Å; C104-Q108 VanDerWaalsContact O-CG 3.23Å; C104-Q108 WeakPolarHBondContact O-CG 3.49Å; C104-Q108 PolarHBondContact O-N 3.39Å; C104-Q108 PolarHBondContact SG-NE2 3.48Å; K105-Q108 PolarHBondContact O-N 3.47Å; Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 2.88Å; Q108-V112 WeakPolarHBondContact O-CB 3.4Å; Q108-V112 PolarHBondContact O-N 2.99Å; Q108-G113 PolarHBondContact O-N 3.38Å
109M80.6Confident70.9Confident108 Ų10879.1 Ų79.153%0.53241%0.405SS..Hα-helixtrans-56.5-47.2179.8-176.3-178.6-6700111.8K105 V106 G113K105-M109 VanDerWaalsContact O-CB 3.3Å; K105-M109 WeakPolarHBondContact O-CB 3.43Å; K105-M109 PolarHBondContact O-N 2.79Å; V106-M109 PolarHBondContact O-N 3.06Å; M109-G113 WeakPolarHBondContact O-CA 3.46Å; M109-G113 PolarHBondContact O-N 2.89Å
110E78.8Confident68.7Low63 Ų6382.3 Ų82.329%0.29443%0.431SS..Hα-helixtrans-83-36.2-175.1-71.4-68.8147.700113.8V9 F31 K40 V106 Q108V9-E110 HydrophobicContact CG1-CG 4.25Å; F31-E110 HydrophobicContact CE1-CB 3.72Å; F31-E110 HydrophobicContact CE1-CG 3.82Å; F31-E110 HydrophobicContact CZ-CB 3.53Å; F31-E110 HydrophobicContact CZ-CG 4.09Å; K40-E110 VanDerWaalsContact CD-O 3.28Å; K40-E110 WeakPolarHBondContact CD-O 3.19Å; K40-E110 WeakPolarHBondContact CE-O 3.23Å; K40-E110 PolarHBondContact NZ-O 2.71Å; V106-E110 WeakPolarHBondContact O-CB 3.47Å; V106-E110 WeakPolarHBondContact O-CG 3.41Å; V106-E110 PolarHBondContact O-N 2.91Å; Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 2.88Å
111C77.7Confident67Low16 Ų1691 Ų9111%0.10848%0.476CS..Hα-helixtrans-90.8-39.7-174.2-640000113.5V65 L107V65-C111 HydrophobicContact CB-CB 3.92Å; V65-C111 HydrophobicContact CG1-CB 3.96Å; V65-C111 HydrophobicContact CG2-CB 4.17Å; L107-C111 WeakPolarHBondContact O-CB 3.37Å; L107-C111 PolarHBondContact O-N 3.46Å; L107-C111 PolarHBondContact O-SG 2.94Å
112V71.6Confident64.5Low44 Ų4490.6 Ų90.627%0.26749%0.492SS..THydrogen-bonded Turntrans-97.3-19.7-174.1-174.40000111V65 Q108V65-V112 HydrophobicContact CG1-CG2 4.46Å; Q108-V112 WeakPolarHBondContact O-CB 3.4Å; Q108-V112 PolarHBondContact O-N 2.99Å
113G58.5Low62.2Low36 Ų3694.3 Ų94.337%0.37151%0.51SS..  trans67.3158.7-167.500000110Q108 M109 R115Q108-G113 PolarHBondContact O-N 3.38Å; M109-G113 WeakPolarHBondContact O-CA 3.46Å; M109-G113 PolarHBondContact O-N 2.89Å; G113-R115 PolarHBondContact O-N 2.88Å
114T44.1Very low60.2Low119 Ų11999.7 Ų99.773%0.7354%0.544SS*.  trans-66.379.4174.5-32.20000109.3I116T114-I116 HydrophobicContact CG2-CG1 3.9Å; T114-I116 PolarHBondContact O-N 2.84Å
115R43.9Very low58.2Low194 Ų194104.5 Ų104.573%0.73257%0.57SS**  trans-67.994.3153.9-69.8-168.2180-160.9-2.3104.7G113 N117G113-R115 PolarHBondContact O-N 2.88Å; R115-N117 PolarHBondContact O-N 2.86Å
116I42.1Very low56.6Low144 Ų144104.8 Ų104.874%0.73858%0.577SS**  trans-60.481.5164.6-57168.5000105.4T114T114-I116 HydrophobicContact CG2-CG1 3.9Å; T114-I116 PolarHBondContact O-N 2.84Å
117N40Very low54.8Low127 Ų127109.5 Ų109.568%0.67960%0.6SS**  trans-109.272.5172.3-91.111.8000107R115R115-N117 PolarHBondContact O-N 2.86Å
118D39.8Very low52.7Low157 Ų157111.9 Ų111.984%0.8462%0.62SS**  trans-163.963.4152.9-90.2-30.8000109.8
119I40Very low50.8Low169 Ų169112.4 Ų112.487%0.86763%0.629SS**SBendtrans-150.4128.7132.6-45.4-177.2000108.7
120S42.1Very low48.8Very low102 Ų102110 Ų11071%0.71363%0.631SS**  trans-50.6155.3-175.4-57.40000119.2
121L50.4Low47Very low182 Ų182111.5 Ų111.595%0.95364%0.644SS**  trans66.795.2144.4-80.7152000118.6
122G34.8Very low45.2Very low76 Ų76117.4 Ų117.478%0.78467%0.671SS**  trans172139.3159.700000109.7
123E40.7Very low43.9Very low183 Ų183125.1 Ų125.186%0.85570%0.695SS**  trans-42.2150.1-172.8-71.4180129.800116D125E123-D125 PolarHBondContact O-N 3.42Å
124P46.4Very low43.2Very low112 Ų112129.5 Ų129.573%0.72771%0.706SS**  trans-65.5108.5165.629-30000108L126P124-L126 PolarHBondContact O-N 3.01Å
125D47Very low43.1Very low108 Ų108130.5 Ų130.558%0.57870%0.702SS**  trans-62.499.8176.3-163.4-1.5000108.9E123 L127 A128E123-D125 PolarHBondContact O-N 3.42Å; D125-L127 PolarHBondContact O-N 2.8Å; D125-L127 WeakPolarHBondContact OD1-CB 3.5Å; D125-A128 PolarHBondContact O-N 2.74Å
126L51.5Low43.4Very low143 Ų143126.1 Ų126.175%0.74970%0.701SS**THydrogen-bonded Turntrans-61.4-7.4-179.3-69.5170.1000112.4P124 T129P124-L126 PolarHBondContact O-N 3.01Å; L126-T129 PolarHBondContact O-OG1 3.29Å
127L48.5Very low44.8Very low136 Ų136123.7 Ų123.771%0.71269%0.687SS**THydrogen-bonded Turntrans-83-23.7174.5-55.9179.6000112.9D125 T129 G130D125-L127 PolarHBondContact O-N 2.8Å; D125-L127 WeakPolarHBondContact OD1-CB 3.5Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 2.9Å; L127-G130 PolarHBondContact O-N 2.85Å
128A44.1Very low47Very low50 Ų50120.9 Ų120.941%0.41367%0.667SS.*Hα-helixtrans-70.6-29.3177.200000112.4D125 G130 V131 E132D125-A128 PolarHBondContact O-N 2.74Å; A128-G130 PolarHBondContact O-N 2.81Å; A128-V131 PolarHBondContact O-N 3.41Å; A128-V131 VanDerWaalsContact O-N 3.13Å; A128-E132 PolarHBondContact O-N 2.79Å
129T43.7Very low49.3Very low92 Ų92114.6 Ų114.656%0.56463%0.632SS**Hα-helixtrans-63.7-24.9177.718.60000114.2L126 L127L126-T129 PolarHBondContact O-OG1 3.29Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 2.9Å
130G38.7Very low51.6Low56 Ų56108.7 Ų108.758%0.57760%0.602SS**Hα-helixtrans-75.3-34174.300000112.9L127 A128L127-G130 PolarHBondContact O-N 2.85Å; A128-G130 PolarHBondContact O-N 2.81Å
131V40.8Very low53.9Low95 Ų95103.8 Ų103.858%0.57657%0.568SS**Hα-helixtrans-87.4-26.5-175.2-173.60000112A128 R133A128-V131 PolarHBondContact O-N 3.41Å; A128-V131 VanDerWaalsContact O-N 3.13Å; V131-R133 VanDerWaalsContact C-N 3.34Å
132E40.6Very low55.8Low141 Ų14197.2 Ų97.266%0.65953%0.531SS*.Hα-helixtrans-72.7-23.7174.3-69.5-148.8151.500113.8A128 E134 S136A128-E132 PolarHBondContact O-N 2.79Å; E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 2.93Å; E132-S136 PolarHBondContact O-N 3.46Å
133R44.4Very low58.5Low206 Ų20693.6 Ų93.678%0.77749%0.493SS*.Hα-helixtrans-64.8-31.2177.4-103.9-175.8177.3-169.9-0.1112.9V131V131-R133 VanDerWaalsContact C-N 3.34Å
134E42.9Very low60.8Low127 Ų12788.6 Ų88.659%0.59347%0.471SS*.Hα-helixtrans-87.1-24-174.7-143.6176.3-167.500113E132 S136E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 2.93Å; E134-S136 VanDerWaalsContact C-N 3.28Å
135Q43.5Very low62.7Low140 Ų14087.3 Ų87.365%0.65446%0.463SS*.Hα-helixtrans-73.6-20.5169-76.8-179.832.900112.8E137Q135-E137 VanDerWaalsContact C-N 3.33Å; Q135-E137 PolarHBondContact O-N 3.03Å
136S50.4Low64.6Low102 Ų10283 Ų8371%0.71344%0.441SS*.THydrogen-bonded Turntrans-85.12.7-173.6-1600000114.9E132 E134E132-S136 PolarHBondContact O-N 3.46Å; E134-S136 VanDerWaalsContact C-N 3.28Å
137E70.9Confident66.1Low93 Ų9382.3 Ų82.344%0.43545%0.445SS..THydrogen-bonded Turntrans-109.626.3-175.6-62.6-144.9126.600114.5Q135 K222Q135-E137 VanDerWaalsContact C-N 3.33Å; Q135-E137 PolarHBondContact O-N 3.03Å; E137-K222 IonicContact OE1-NZ 3.26Å; E137-K222 PolarHBondContact OE1-NZ 2.82Å; E137-K222 IonicContact OE2-NZ 3.04Å; E137-K222 PolarHBondContact OE2-NZ 2.91Å
138R86.8Confident67.6Low69 Ų6979.3 Ų79.326%0.2643%0.43SS..EExtended strand (participates in β ladder)trans-90.1129.3173-63.3-178175.6175.6-5.3110.3A156 L157 Q158 P172R138-A156 HydrophobicContact CB-CB 4.39Å; R138-L157 CarbonylContact C-O 3.28Å; R138-L157 WeakPolarHBondContact CA-O 3.49Å; R138-Q158 HydrophobicContact CG-CB 4.08Å; R138-Q158 HydrophobicContact CG-CG 4.16Å; R138-P172 PolarHBondContact NH1-O 3.2Å; R138-P172 PolarHBondContact NH2-O 3.26Å
139F87.3Confident69.5Low24 Ų2478 Ų7811%0.10542%0.415CS..EExtended strand (participates in β ladder)trans-96.2129.9176.5-59.9-87.8000109.7V141 A156 L157 I159 D215 A218 I219 K222F139-V141 HydrophobicContact CB-CG1 4.21Å; F139-V141 PolarHBondContact O-N 3Å; F139-A156 CarbonylContact O-C 3.56Å; F139-A156 WeakPolarHBondContact O-CA 3.44Å; F139-L157 HydrophobicContact CB-CB 4.45Å; F139-L157 PolarHBondContact N-O 2.75Å; F139-L157 PolarHBondContact O-N 2.8Å; F139-I159 HydrophobicContact CD2-CD1 3.61Å; F139-I159 HydrophobicContact CE2-CD1 3.64Å; F139-D215 HydrophobicContact CD1-CB 3.61Å; F139-D215 HydrophobicContact CE1-CB 4.04Å; F139-A218 HydrophobicContact CE1-CB 3.86Å; F139-A218 HydrophobicContact CZ-CB 4.21Å; F139-I219 HydrophobicContact CB-CD1 3.77Å; F139-I219 HydrophobicContact CB-CG1 3.92Å; F139-I219 HydrophobicContact CD1-CD1 4.24Å; F139-I219 HydrophobicContact CD1-CG1 3.8Å; F139-I219 HydrophobicContact CD2-CD1 4.41Å; F139-I219 HydrophobicContact CD2-CG1 3.61Å; F139-I219 HydrophobicContact CE1-CG1 4.18Å; F139-I219 HydrophobicContact CE2-CG1 4.02Å; F139-I219 HydrophobicContact CG-CD1 3.89Å; F139-I219 HydrophobicContact CG-CG1 3.48Å; F139-I219 VanDerWaalsContact CG-CG1 3.48Å; F139-I219 HydrophobicContact CZ-CG1 4.27Å; F139-K222 HydrophobicContact CE2-CD 3.72Å; F139-K222 HydrophobicContact CZ-CD 3.78Å
140N88.4Confident71.3Confident45 Ų4580.9 Ų80.924%0.24143%0.428CS..EExtended strand (participates in β ladder)trans-76.6124.7172.4-61.3-63000108.8A34 T213A34-N140 WeakPolarHBondContact CB-ND2 3.38Å; N140-T213 PolarHBondContact O-OG1 2.81Å
141V90.2Very high73.4Confident0 Ų080.9 Ų80.90%042%0.416CS..EExtended strand (participates in β ladder)trans-136.9154.1-176.5-54.80000110.1F139 C155 L157 L166 F211 T213 I219F139-V141 HydrophobicContact CB-CG1 4.21Å; F139-V141 PolarHBondContact O-N 3Å; V141-C155 VanDerWaalsContact CG2-SG 3.59Å; V141-C155 PolarHBondContact N-O 2.91Å; V141-C155 PolarHBondContact O-N 3.36Å; V141-L157 HydrophobicContact CG1-CB 3.86Å; V141-L157 HydrophobicContact CG1-CD2 4.18Å; V141-L157 HydrophobicContact CG2-CB 3.79Å; V141-L166 HydrophobicContact CG2-CD2 4.23Å; V141-F211 HydrophobicContact CB-CB 4.14Å; V141-F211 HydrophobicContact CB-CD1 4.21Å; V141-F211 HydrophobicContact CG2-CB 4.42Å; V141-F211 HydrophobicContact CG2-CD1 3.57Å; V141-F211 HydrophobicContact CG2-CE1 4.31Å; V141-F211 HydrophobicContact CG2-CG 4.35Å; V141-T213 HydrophobicContact CG1-CG2 4.21Å; V141-I219 HydrophobicContact CG1-CD1 3.95Å
142Y90.1Very high75.6Confident43 Ų4381.5 Ų81.517%0.16941%0.413CS..EExtended strand (participates in β ladder)trans-107.8110171.7-173.5-82.8000108.7S36 M144 G153 E154 F211 Q212S36-Y142 VanDerWaalsContact CB-N 3.34Å; Y142-M144 HydrophobicContact CD1-SD 3.93Å; Y142-M144 HydrophobicContact CE1-SD 4.01Å; Y142-M144 PolarHBondContact O-N 3.07Å; Y142-G153 CarbonylContact C-O 3.6Å; Y142-G153 WeakPolarHBondContact CA-O 3.43Å; Y142-E154 HydrophobicContact CD2-CG 4.01Å; Y142-F211 CarbonylContact O-C 3.56Å; Y142-F211 WeakPolarHBondContact O-CA 3.32Å; Y142-Q212 PolarHBondContact N-O 2.69Å; Y142-Q212 PolarHBondContact O-N 3.34Å
143L91.1Very high77.8Confident1 Ų175.3 Ų75.31%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-75.3120.2176.4172.261.3000109.2L149 V151 G153 L166 F209 F211L143-L149 HydrophobicContact CD2-CD2 3.72Å; L143-V151 WeakPolarHBondContact CD2-O 3.27Å; L143-G153 PolarHBondContact N-O 2.86Å; L143-G153 PolarHBondContact O-N 3.34Å; L143-L166 HydrophobicContact CD2-CD1 3.84Å; L143-F209 HydrophobicContact CD1-CD1 4.28Å; L143-F211 HydrophobicContact CB-CD1 4.13Å; L143-F211 HydrophobicContact CB-CE1 4.01Å; L143-F211 HydrophobicContact CD1-CD1 4.09Å; L143-F211 HydrophobicContact CD1-CE1 3.58Å; L143-F211 HydrophobicContact CD1-CZ 3.84Å; L143-F211 HydrophobicContact CG-CE1 4.24Å
144M89.4Confident79.8Confident77 Ų7767.4 Ų67.438%0.37936%0.359SS..PPolyproline II helixtrans-69.5146.5174.1-63.4-60.2-66.300110.5Y142 S146 I210Y142-M144 HydrophobicContact CD1-SD 3.93Å; Y142-M144 HydrophobicContact CE1-SD 4.01Å; Y142-M144 PolarHBondContact O-N 3.07Å; M144-S146 PolarHBondContact O-N 3.4Å; M144-I210 HydrophobicContact CB-CB 4.16Å; M144-I210 HydrophobicContact CB-CG2 4.47Å; M144-I210 WeakPolarHBondContact CB-O 3.37Å; M144-I210 HydrophobicContact CG-CB 4.08Å; M144-I210 HydrophobicContact CG-CG2 3.83Å; M144-I210 WeakPolarHBondContact CG-O 3.29Å; M144-I210 PolarHBondContact N-O 3.21Å
145P87.4Confident82Confident86 Ų8661.6 Ų61.656%0.55833%0.332SS*.PPolyproline II helixtrans-53.9132.7175.8-24.533.5000111.5H152P145-H152 HydrophobicContact CB-CB 4.38Å; P145-H152 HydrophobicContact CG-CB 4.19Å
146S85.1Confident84.2Confident18 Ų1855.3 Ų55.313%0.12630%0.304CS..BIsolated β-bridgetrans-131.3146.6179.377.90000109.8M144 N148 L149M144-S146 PolarHBondContact O-N 3.4Å; S146-N148 PolarHBondContact O-N 2.74Å; S146-L149 PolarHBondContact O-N 2.95Å; S146-L149 WeakPolarHBondContact OG-CB 3.46Å; S146-L149 PolarHBondContact OG-N 3.46Å
147P82.8Confident86.2Confident128 Ų12850.4 Ų50.483%0.83127%0.27SS*.THydrogen-bonded Turntrans-66.6-22.4-178.325.8-33.9000113.3
148N81.3Confident87.2Confident73 Ų7347.1 Ų47.139%0.3925%0.254SS..THydrogen-bonded Turntrans-95.7-3.4-174.2-58.7-31.9000113.3S146 E206 G207S146-N148 PolarHBondContact O-N 2.74Å; N148-E206 PolarHBondContact ND2-O 2.7Å; N148-G207 WeakPolarHBondContact ND2-CA 3.14Å
149L84Confident87.4Confident21 Ų2144.7 Ų44.711%0.1125%0.246CC..BIsolated β-bridgetrans-146.7116.4-177.6-177.959.6000109.5L143 S146 V151 I177 W179 F209L143-L149 HydrophobicContact CD2-CD2 3.72Å; S146-L149 PolarHBondContact O-N 2.95Å; S146-L149 WeakPolarHBondContact OG-CB 3.46Å; S146-L149 PolarHBondContact OG-N 3.46Å; L149-V151 HydrophobicContact CD1-CB 4Å; L149-V151 HydrophobicContact CD1-CG2 3.98Å; L149-V151 HydrophobicContact CD2-CB 4.32Å; L149-V151 HydrophobicContact CG-CB 3.9Å; L149-V151 HydrophobicContact CG-CG2 4.43Å; L149-V151 PolarHBondContact O-N 2.77Å; L149-I177 HydrophobicContact CD1-CD1 3.76Å; L149-I177 HydrophobicContact CD2-CG2 4.2Å; L149-W179 HydrophobicContact CD2-CH2 4.22Å; L149-W179 HydrophobicContact CD2-CZ2 4.03Å; L149-F209 HydrophobicContact CB-CE1 3.88Å; L149-F209 HydrophobicContact CD2-CD1 4.42Å; L149-F209 HydrophobicContact CD2-CE1 3.95Å
150D81.2Confident87.5Confident154 Ų15445.7 Ų45.782%0.82426%0.255SS*.SBendtrans-70.6-14178.4-164.329.4000112.6H152D150-H152 PolarHBondContact O-ND1 3.23Å
151V83.4Confident87.3Confident55 Ų5552.4 Ų52.433%0.33328%0.278SS..  trans-81.5125.1175.2-174.90000110.1L143 L149 L176L143-V151 WeakPolarHBondContact CD2-O 3.27Å; L149-V151 HydrophobicContact CD1-CB 4Å; L149-V151 HydrophobicContact CD1-CG2 3.98Å; L149-V151 HydrophobicContact CD2-CB 4.32Å; L149-V151 HydrophobicContact CG-CB 3.9Å; L149-V151 HydrophobicContact CG-CG2 4.43Å; L149-V151 PolarHBondContact O-N 2.77Å; V151-L176 HydrophobicContact CG1-CD1 4.08Å
152H86.1Confident87.2Confident109 Ų10958.3 Ų58.351%0.50531%0.305SS..  trans-149.1155.9175.260.5-79.4000110.8P145 D150P145-H152 HydrophobicContact CB-CB 4.38Å; P145-H152 HydrophobicContact CG-CB 4.19Å; D150-H152 PolarHBondContact O-ND1 3.23Å
153G86.9Confident87.3Confident11 Ų1161.1 Ų61.111%0.11332%0.316CS..EExtended strand (participates in β ladder)trans114.9-159.5179.600000115.1Y142 L143 C155Y142-G153 CarbonylContact C-O 3.6Å; Y142-G153 WeakPolarHBondContact CA-O 3.43Å; L143-G153 PolarHBondContact N-O 2.86Å; L143-G153 PolarHBondContact O-N 3.34Å; G153-C155 PolarHBondContact O-N 2.83Å; G153-C155 PolarHBondContact O-SG 2.81Å
154E87.1Confident87.3Confident40 Ų4061.1 Ų61.119%0.18732%0.316CS..EExtended strand (participates in β ladder)trans-67.4118.9-179.3-65.6-73.4163.500110.5S36 Y142 V169S36-E154 VanDerWaalsContact CB-OE2 3.27Å; S36-E154 WeakPolarHBondContact CB-OE2 3.47Å; S36-E154 PolarHBondContact N-OE2 3.23Å; S36-E154 VanDerWaalsContact OG-CD 3.26Å; S36-E154 PolarHBondContact OG-OE1 2.82Å; S36-E154 PolarHBondContact OG-OE2 2.76Å; S36-E154 VanDerWaalsContact OG-OE2 3.13Å; Y142-E154 HydrophobicContact CD2-CG 4.01Å; E154-V169 HydrophobicContact CB-CG2 4.32Å
155C88.8Confident87.5Confident4 Ų457.6 Ų57.63%0.02730%0.299CS..EExtended strand (participates in β ladder)trans-139.6161.717948.50000110.4V141 G153 L166 V169 L176V141-C155 VanDerWaalsContact CG2-SG 3.59Å; V141-C155 PolarHBondContact N-O 2.91Å; V141-C155 PolarHBondContact O-N 3.36Å; G153-C155 PolarHBondContact O-N 2.83Å; G153-C155 PolarHBondContact O-SG 2.81Å; C155-L166 HydrophobicContact CB-CD2 4.14Å; C155-V169 VanDerWaalsContact CA-CG2 3.5Å; C155-L176 HydrophobicContact CB-CD1 4.15Å
156A89.8Confident87.7Confident8 Ų853.5 Ų53.57%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-103.9118.1174.900000109.6R138 F139 L166 W167R138-A156 HydrophobicContact CB-CB 4.39Å; F139-A156 CarbonylContact O-C 3.56Å; F139-A156 WeakPolarHBondContact O-CA 3.44Å; A156-L166 CarbonylContact O-C 3.46Å; A156-L166 WeakPolarHBondContact O-CA 3.21Å; A156-W167 HydrophobicContact CB-CB 4.14Å; A156-W167 PolarHBondContact N-O 2.82Å; A156-W167 PolarHBondContact O-N 2.86Å
157L92.4Very high87.9Confident0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans-90.6123.7178.8-172.372.9000110.3R138 F139 V141 I159 I164 L166 F194 I219R138-L157 CarbonylContact C-O 3.28Å; R138-L157 WeakPolarHBondContact CA-O 3.49Å; F139-L157 HydrophobicContact CB-CB 4.45Å; F139-L157 PolarHBondContact N-O 2.75Å; F139-L157 PolarHBondContact O-N 2.8Å; V141-L157 HydrophobicContact CG1-CB 3.86Å; V141-L157 HydrophobicContact CG1-CD2 4.18Å; V141-L157 HydrophobicContact CG2-CB 3.79Å; L157-I159 HydrophobicContact CD2-CD1 4.25Å; L157-I159 HydrophobicContact CG-CD1 4.28Å; L157-I164 HydrophobicContact CD1-CG2 3.4Å; L157-I164 HydrophobicContact CG-CG2 4.3Å; L157-L166 HydrophobicContact CB-CD2 4.1Å; L157-L166 HydrophobicContact CD1-CD2 3.5Å; L157-L166 HydrophobicContact CD1-CG 4.27Å; L157-L166 HydrophobicContact CG-CD2 4.44Å; L157-F194 HydrophobicContact CD2-CD1 4.24Å; L157-F194 HydrophobicContact CD2-CE1 4.37Å; L157-I219 HydrophobicContact CD2-CD1 4.02Å; L157-I219 HydrophobicContact CD2-CG1 4.25Å; L157-I219 HydrophobicContact CD2-CG2 3.7Å
158Q91.9Very high88Confident23 Ų2350.4 Ų50.411%0.10725%0.245CC..EExtended strand (participates in β ladder)trans-116.8129.5173.8-167.9172.411.600109.4R138 T160 C165R138-Q158 HydrophobicContact CG-CB 4.08Å; R138-Q158 HydrophobicContact CG-CG 4.16Å; Q158-T160 HydrophobicContact CG-CG2 4.42Å; Q158-C165 HydrophobicContact CB-CB 4.46Å; Q158-C165 PolarHBondContact N-O 3.16Å; Q158-C165 PolarHBondContact O-N 2.74Å
159I91.3Very high87.9Confident18 Ų1848.6 Ų48.69%0.09224%0.237CC..EExtended strand (participates in β ladder)trans-104.5114.6174.7-55.892.4000106.9F139 L157 I219 K222 V223F139-I159 HydrophobicContact CD2-CD1 3.61Å; F139-I159 HydrophobicContact CE2-CD1 3.64Å; L157-I159 HydrophobicContact CD2-CD1 4.25Å; L157-I159 HydrophobicContact CG-CD1 4.28Å; I159-I219 HydrophobicContact CD1-CG1 4.32Å; I159-I219 HydrophobicContact CD1-CG2 4.03Å; I159-K222 HydrophobicContact CB-CB 4.32Å; I159-K222 HydrophobicContact CG2-CB 4.2Å; I159-V223 HydrophobicContact CG1-CG2 3.8Å; I159-V223 HydrophobicContact CG2-CG2 3.99Å
160T88.9Confident87.5Confident46 Ų4655.2 Ų55.228%0.28227%0.267SS..  trans-98.8179.6172.768.10000109.4Q158 E162 Y163 L181Q158-T160 HydrophobicContact CG-CG2 4.42Å; T160-E162 PolarHBondContact O-N 3.49Å; T160-Y163 PolarHBondContact N-O 3.39Å; T160-Y163 WeakPolarHBondContact OG1-CA 3.2Å; T160-Y163 PolarHBondContact OG1-N 3.36Å; T160-Y163 PolarHBondContact OG1-O 2.89Å; T160-L181 WeakPolarHBondContact O-CD1 3.47Å
161Y84.8Confident87.3Confident186 Ų18652.2 Ų52.273%0.72925%0.251SS*.SBendtrans-66-24.8178.2-59-75000113.8I230Y161-I230 WeakPolarHBondContact O-CD1 3.23Å
162E87.2Confident86.8Confident124 Ų12453.2 Ų53.258%0.57926%0.259SS*.SBendtrans-122.6-23.3-175.6-66.8-175.4103.300113.7T160 P180 L181T160-E162 PolarHBondContact O-N 3.49Å; E162-P180 WeakPolarHBondContact O-CA 3.38Å; E162-L181 WeakPolarHBondContact O-CB 3.43Å; E162-L181 PolarHBondContact O-N 2.84Å
163Y91.6Very high86.4Confident102 Ų10259.6 Ų59.640%0.428%0.278SS..EExtended strand (participates in β ladder)trans-134.1145.6-172.4-59.3-92.1000112.9T160 W179 P180T160-Y163 PolarHBondContact N-O 3.39Å; T160-Y163 WeakPolarHBondContact OG1-CA 3.2Å; T160-Y163 PolarHBondContact OG1-N 3.36Å; T160-Y163 PolarHBondContact OG1-O 2.89Å; Y163-W179 CarbonylContact C-O 3.51Å; Y163-W179 VanDerWaalsContact CA-O 3.29Å; Y163-W179 WeakPolarHBondContact CA-O 3Å; Y163-P180 HydrophobicContact CD1-CB 4.02Å; Y163-P180 HydrophobicContact CE1-CB 3.86Å; Y163-P180 HydrophobicContact CE1-CG 4.41Å
164I93.1Very high86.2Confident0 Ų062.4 Ų62.40%029%0.293CS..EExtended strand (participates in β ladder)trans-92.4121.7159.1-59.3-175.1000107.5L157 S178 W179 L181 L184 F196 V223L157-I164 HydrophobicContact CD1-CG2 3.4Å; L157-I164 HydrophobicContact CG-CG2 4.3Å; I164-S178 CarbonylContact O-C 3.52Å; I164-S178 VanDerWaalsContact O-CA 3.27Å; I164-S178 WeakPolarHBondContact O-CA 3.32Å; I164-W179 HydrophobicContact CB-CE3 4.43Å; I164-W179 HydrophobicContact CG2-CE3 4.17Å; I164-W179 PolarHBondContact N-O 3.35Å; I164-W179 PolarHBondContact O-N 2.84Å; I164-L181 HydrophobicContact CD1-CD2 3.81Å; I164-L181 HydrophobicContact CG1-CD2 3.55Å; I164-L181 HydrophobicContact CG1-CG 4.15Å; I164-L184 HydrophobicContact CD1-CD1 3.66Å; I164-F196 HydrophobicContact CD1-CD1 4.31Å; I164-F196 HydrophobicContact CD1-CE1 4.33Å; I164-F196 HydrophobicContact CG2-CE1 4.31Å; I164-V223 HydrophobicContact CD1-CG1 4.17Å; I164-V223 HydrophobicContact CD1-CG2 3.78Å; I164-V223 HydrophobicContact CG1-CG2 4.35Å
165C91.9Very high86.3Confident4 Ų465.6 Ų65.63%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-117.2138.9-179.3-63.40000111Q158 I177Q158-C165 HydrophobicContact CB-CB 4.46Å; Q158-C165 PolarHBondContact N-O 3.16Å; Q158-C165 PolarHBondContact O-N 2.74Å; C165-I177 CarbonylContact C-O 3.53Å; C165-I177 WeakPolarHBondContact CA-O 3.27Å
166L91.9Very high86.3Confident0 Ų068.1 Ų68.10%032%0.319CS..EExtended strand (participates in β ladder)trans-100.5140.2164.5-71.7176.9000111V141 L143 C155 A156 L157 L176 I177 W179 F211V141-L166 HydrophobicContact CG2-CD2 4.23Å; L143-L166 HydrophobicContact CD2-CD1 3.84Å; C155-L166 HydrophobicContact CB-CD2 4.14Å; A156-L166 CarbonylContact O-C 3.46Å; A156-L166 WeakPolarHBondContact O-CA 3.21Å; L157-L166 HydrophobicContact CB-CD2 4.1Å; L157-L166 HydrophobicContact CD1-CD2 3.5Å; L157-L166 HydrophobicContact CD1-CG 4.27Å; L157-L166 HydrophobicContact CG-CD2 4.44Å; L166-L176 HydrophobicContact CB-CB 4.12Å; L166-L176 HydrophobicContact CB-CD1 4.41Å; L166-L176 PolarHBondContact O-N 2.68Å; L166-I177 HydrophobicContact CB-CG2 3.97Å; L166-I177 HydrophobicContact CD1-CG2 3.84Å; L166-I177 HydrophobicContact CG-CG2 4.21Å; L166-I177 PolarHBondContact N-O 2.91Å; L166-W179 HydrophobicContact CD1-CH2 3.47Å; L166-W179 VanDerWaalsContact CD1-CH2 3.47Å; L166-W179 HydrophobicContact CD1-CZ3 3.65Å; L166-W179 HydrophobicContact CG-CH2 4.07Å; L166-W179 HydrophobicContact CG-CZ3 3.7Å; L166-F211 HydrophobicContact CD1-CE1 3.85Å; L166-F211 HydrophobicContact CD1-CZ 4.28Å; L166-F211 HydrophobicContact CD2-CE1 3.84Å; L166-F211 HydrophobicContact CG-CE1 4.33Å
167W90.3Very high86.3Confident35 Ų3568.8 Ų68.813%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-124.8151.6178.6-58.887.1000110.2A156 V174 K175A156-W167 HydrophobicContact CB-CB 4.14Å; A156-W167 PolarHBondContact N-O 2.82Å; A156-W167 PolarHBondContact O-N 2.86Å; W167-V174 WeakPolarHBondContact CA-O 3Å; W167-K175 HydrophobicContact CD2-CB 4.4Å; W167-K175 HydrophobicContact CE3-CB 3.95Å; W167-K175 HydrophobicContact CH2-CB 4.09Å; W167-K175 HydrophobicContact CZ3-CB 3.78Å
168D84.7Confident86.3Confident45 Ų4569.9 Ų69.924%0.24133%0.329CS..EExtended strand (participates in β ladder)trans-71.4134.5175.2-168.4-61.8000110.7Q170 N171 V174 L176D168-Q170 VanDerWaalsContact OD1-CA 3.31Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.42Å; D168-Q170 VanDerWaalsContact OD1-CB 3.29Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.44Å; D168-Q170 PolarHBondContact OD1-N 3.05Å; D168-N171 HydrophobicContact CB-CB 4.32Å; D168-N171 CarbonylContact O-C 3.55Å; D168-N171 VanDerWaalsContact O-C 3.28Å; D168-N171 PolarHBondContact OD1-N 3.18Å; D168-V174 HydrophobicContact CB-CB 4.16Å; D168-V174 HydrophobicContact CB-CG1 4.5Å; D168-V174 PolarHBondContact N-O 2.97Å; D168-L176 HydrophobicContact CB-CD1 4.48Å; D168-L176 HydrophobicContact CB-CD2 4.15Å; D168-L176 HydrophobicContact CB-CG 4.31Å
169V79.4Confident86.4Confident36 Ų3668.8 Ų68.822%0.21832%0.324CS..SBendtrans-74.7-28.5179.6165.50000112.5E154 C155E154-V169 HydrophobicContact CB-CG2 4.32Å; C155-V169 VanDerWaalsContact CA-CG2 3.5Å
170Q75.6Confident86.4Confident160 Ų16069.2 Ų69.275%0.74833%0.328SS*.SBendtrans-80.4-37.6174.1-54.2-1721.800111D168D168-Q170 VanDerWaalsContact OD1-CA 3.31Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.42Å; D168-Q170 VanDerWaalsContact OD1-CB 3.29Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.44Å; D168-Q170 PolarHBondContact OD1-N 3.05Å
171N75.6Confident86.5Confident91 Ų9167.3 Ų67.349%0.48732%0.316SS..  trans-12389.4-179.1-70.3-53.9000111.9D168 R173 V174D168-N171 HydrophobicContact CB-CB 4.32Å; D168-N171 CarbonylContact O-C 3.55Å; D168-N171 VanDerWaalsContact O-C 3.28Å; D168-N171 PolarHBondContact OD1-N 3.18Å; N171-R173 PolarHBondContact O-N 2.61Å; N171-V174 HydrophobicContact CB-CB 4.17Å; N171-V174 HydrophobicContact CB-CG2 3.75Å; N171-V174 PolarHBondContact O-N 2.96Å
172P74.6Confident86.8Confident76 Ų7662.9 Ų62.949%0.49431%0.312SS..THydrogen-bonded Turntrans-61.5-8.6-176.6-24.133.6000115.7R138R138-P172 PolarHBondContact NH1-O 3.2Å; R138-P172 PolarHBondContact NH2-O 3.26Å
173R76.7Confident87Confident242 Ų24257.7 Ų57.791%0.91329%0.29SS*.THydrogen-bonded Turntrans-92.2-13.9176.5-63.6-177.1-178.3170.60.3113.1N171N171-R173 PolarHBondContact O-N 2.61Å
174V82.9Confident87Confident70 Ų7053.9 Ų53.942%0.42428%0.277SS..  trans-92.4113.8-178.2178.20000108.9W167 D168 N171W167-V174 WeakPolarHBondContact CA-O 3Å; D168-V174 HydrophobicContact CB-CB 4.16Å; D168-V174 HydrophobicContact CB-CG1 4.5Å; D168-V174 PolarHBondContact N-O 2.97Å; N171-V174 HydrophobicContact CB-CB 4.17Å; N171-V174 HydrophobicContact CB-CG2 3.75Å; N171-V174 PolarHBondContact O-N 2.96Å
175K88.6Confident87Confident107 Ų10758.9 Ų58.947%0.46530%0.296SS..EExtended strand (participates in β ladder)trans-81.1123170.9-172-177.7-66-175.60108.1W167W167-K175 HydrophobicContact CD2-CB 4.4Å; W167-K175 HydrophobicContact CE3-CB 3.95Å; W167-K175 HydrophobicContact CH2-CB 4.09Å; W167-K175 HydrophobicContact CZ3-CB 3.78Å
176L88.6Confident87Confident57 Ų5767.4 Ų67.430%0.29833%0.327SS..EExtended strand (participates in β ladder)trans-80-52.2178.9-63.6172.4000110.3V151 C155 L166 D168V151-L176 HydrophobicContact CG1-CD1 4.08Å; C155-L176 HydrophobicContact CB-CD1 4.15Å; L166-L176 HydrophobicContact CB-CB 4.12Å; L166-L176 HydrophobicContact CB-CD1 4.41Å; L166-L176 PolarHBondContact O-N 2.68Å; D168-L176 HydrophobicContact CB-CD1 4.48Å; D168-L176 HydrophobicContact CB-CD2 4.15Å; D168-L176 HydrophobicContact CB-CG 4.31Å
177I90.6Very high87.2Confident23 Ų2370.3 Ų70.312%0.11834%0.339CS..EExtended strand (participates in β ladder)trans-160.7158.8-178.2-165.7140.4000111.5L149 C165 L166 W179 T204L149-I177 HydrophobicContact CD1-CD1 3.76Å; L149-I177 HydrophobicContact CD2-CG2 4.2Å; C165-I177 CarbonylContact C-O 3.53Å; C165-I177 WeakPolarHBondContact CA-O 3.27Å; L166-I177 HydrophobicContact CB-CG2 3.97Å; L166-I177 HydrophobicContact CD1-CG2 3.84Å; L166-I177 HydrophobicContact CG-CG2 4.21Å; L166-I177 PolarHBondContact N-O 2.91Å; I177-W179 HydrophobicContact CG1-CZ2 4.28Å; I177-W179 HydrophobicContact CG2-CE3 4.3Å; I177-W179 HydrophobicContact CG2-CH2 3.26Å; I177-W179 HydrophobicContact CG2-CZ2 3.64Å; I177-W179 HydrophobicContact CG2-CZ3 3.65Å; I177-T204 HydrophobicContact CD1-CG2 3.12Å; I177-T204 HydrophobicContact CG1-CG2 3.94Å
178S92.3Very high87.2Confident22 Ų2269.6 Ų69.615%0.15434%0.343CS..EExtended strand (participates in β ladder)trans-136.6141.117546.60000112.7I164I164-S178 CarbonylContact O-C 3.52Å; I164-S178 VanDerWaalsContact O-CA 3.27Å; I164-S178 WeakPolarHBondContact O-CA 3.32Å
179W93.6Very high87.6Confident0 Ų073.2 Ų73.20%035%0.353CS..EExtended strand (participates in β ladder)trans-118.8124.7174.5-62.2-85.7000110.1L149 Y163 I164 L166 I177 L181 L184 F196 T204 F209 F211L149-W179 HydrophobicContact CD2-CH2 4.22Å; L149-W179 HydrophobicContact CD2-CZ2 4.03Å; Y163-W179 CarbonylContact C-O 3.51Å; Y163-W179 VanDerWaalsContact CA-O 3.29Å; Y163-W179 WeakPolarHBondContact CA-O 3Å; I164-W179 HydrophobicContact CB-CE3 4.43Å; I164-W179 HydrophobicContact CG2-CE3 4.17Å; I164-W179 PolarHBondContact N-O 3.35Å; I164-W179 PolarHBondContact O-N 2.84Å; L166-W179 HydrophobicContact CD1-CH2 3.47Å; L166-W179 VanDerWaalsContact CD1-CH2 3.47Å; L166-W179 HydrophobicContact CD1-CZ3 3.65Å; L166-W179 HydrophobicContact CG-CH2 4.07Å; L166-W179 HydrophobicContact CG-CZ3 3.7Å; I177-W179 HydrophobicContact CG1-CZ2 4.28Å; I177-W179 HydrophobicContact CG2-CE3 4.3Å; I177-W179 HydrophobicContact CG2-CH2 3.26Å; I177-W179 HydrophobicContact CG2-CZ2 3.64Å; I177-W179 HydrophobicContact CG2-CZ3 3.65Å; W179-L181 PolarHBondContact O-N 3.45Å; W179-L184 HydrophobicContact CB-CD2 4.41Å; W179-F196 HydrophobicContact CB-CE2 4.42Å; W179-F196 AromaticContact CD2-CE2 3.95Å; W179-F196 HydrophobicContact CD2-CE2 3.95Å; W179-F196 AromaticContact CD2-CZ 3.55Å; W179-F196 HydrophobicContact CD2-CZ 3.55Å; W179-F196 AromaticContact CE2-CZ 3.9Å; W179-F196 HydrophobicContact CE3-CE1 4.34Å; W179-F196 HydrophobicContact CE3-CE2 4.37Å; W179-F196 AromaticContact CE3-CZ 3.54Å; W179-F196 HydrophobicContact CE3-CZ 3.54Å; W179-F196 AromaticContact CG-CE2 3.93Å; W179-F196 HydrophobicContact CG-CE2 3.93Å; W179-F196 AromaticContact CG-CZ 3.99Å; W179-F196 HydrophobicContact CG-CZ 3.99Å; W179-F196 HydrophobicContact CH2-CZ 4.13Å; W179-F196 HydrophobicContact CZ2-CZ 4.21Å; W179-F196 HydrophobicContact CZ3-CE1 4.4Å; W179-F196 AromaticContact CZ3-CZ 3.79Å; W179-F196 HydrophobicContact CZ3-CZ 3.79Å; W179-T204 HydrophobicContact CZ2-CG2 3.8Å; W179-T204 PolarHBondContact NE1-OG1 2.81Å; W179-F209 HydrophobicContact CH2-CD1 4.45Å; W179-F209 AromaticContact CZ2-CD1 3.96Å; W179-F209 HydrophobicContact CZ2-CD1 3.96Å; W179-F209 HydrophobicContact CZ2-CD2 4.19Å; W179-F209 AromaticContact CZ2-CE1 3.84Å; W179-F209 HydrophobicContact CZ2-CE1 3.84Å; W179-F209 HydrophobicContact CZ2-CE2 4.06Å; W179-F209 HydrophobicContact CZ2-CG 4.13Å; W179-F209 AromaticContact CZ2-CZ 3.9Å; W179-F209 HydrophobicContact CZ2-CZ 3.9Å; W179-F209 AromaticContact NE1-CE2 3.58Å; W179-F209 AromaticContact NE1-CZ 3.89Å; W179-F211 HydrophobicContact CH2-CZ 4.26Å; W179-F211 HydrophobicContact CZ3-CZ 4.29Å
180P92.7Very high88.1Confident28 Ų2874.5 Ų74.518%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-65.3130.5171.616.1-16000109.9E162 Y163 S182 A183E162-P180 WeakPolarHBondContact O-CA 3.38Å; Y163-P180 HydrophobicContact CD1-CB 4.02Å; Y163-P180 HydrophobicContact CE1-CB 3.86Å; Y163-P180 HydrophobicContact CE1-CG 4.41Å; P180-S182 PolarHBondContact O-N 3.29Å; P180-A183 HydrophobicContact CB-CB 4.32Å; P180-A183 HydrophobicContact CG-CB 3.76Å; P180-A183 PolarHBondContact O-N 2.78Å
181L90.9Very high88.5Confident6 Ų671.9 Ų71.93%0.03135%0.354CS..G310 helixtrans-59-32.1178.2-77.6166.4000111.7T160 E162 I164 W179 A183 L184 V223 A226 I230T160-L181 WeakPolarHBondContact O-CD1 3.47Å; E162-L181 WeakPolarHBondContact O-CB 3.43Å; E162-L181 PolarHBondContact O-N 2.84Å; I164-L181 HydrophobicContact CD1-CD2 3.81Å; I164-L181 HydrophobicContact CG1-CD2 3.55Å; I164-L181 HydrophobicContact CG1-CG 4.15Å; W179-L181 PolarHBondContact O-N 3.45Å; L181-A183 VanDerWaalsContact C-N 3.26Å; L181-A183 PolarHBondContact O-N 2.82Å; L181-L184 HydrophobicContact CD2-CD1 3.83Å; L181-L184 WeakPolarHBondContact O-CB 3.27Å; L181-L184 PolarHBondContact O-N 2.79Å; L181-V223 HydrophobicContact CD2-CG1 3.81Å; L181-A226 HydrophobicContact CD1-CB 3.51Å; L181-I230 HydrophobicContact CB-CD1 3.47Å; L181-I230 VanDerWaalsContact CB-CD1 3.47Å; L181-I230 HydrophobicContact CD1-CD1 4.01Å; L181-I230 HydrophobicContact CG-CD1 4.4Å
182S90.6Very high89Confident92 Ų9271.1 Ų71.164%0.64335%0.352SS*.G310 helixtrans-68.1-21.2176.257.60000114.1P180P180-S182 PolarHBondContact O-N 3.29Å
183A90.7Very high89.8Confident15 Ų1572.5 Ų72.512%0.12435%0.348CS..G310 helixtrans-96.31.5179.400000113P180 L181 G199 M201 C202P180-A183 HydrophobicContact CB-CB 4.32Å; P180-A183 HydrophobicContact CG-CB 3.76Å; P180-A183 PolarHBondContact O-N 2.78Å; L181-A183 VanDerWaalsContact C-N 3.26Å; L181-A183 PolarHBondContact O-N 2.82Å; A183-G199 WeakPolarHBondContact O-CA 3.41Å; A183-G199 PolarHBondContact O-N 2.98Å; A183-M201 HydrophobicContact CB-CB 4.09Å; A183-C202 VanDerWaalsContact CB-SG 3.51Å
184L92.6Very high90.6Very high22 Ų2261 Ų6112%0.11530%0.304CS..EExtended strand (participates in β ladder)trans-74135.2173.1-59-176.2000109.8I164 W179 L181 Y187 F196 V223I164-L184 HydrophobicContact CD1-CD1 3.66Å; W179-L184 HydrophobicContact CB-CD2 4.41Å; L181-L184 HydrophobicContact CD2-CD1 3.83Å; L181-L184 WeakPolarHBondContact O-CB 3.27Å; L181-L184 PolarHBondContact O-N 2.79Å; L184-Y187 HydrophobicContact CD1-CD1 4.45Å; L184-F196 HydrophobicContact CD2-CD2 3.46Å; L184-F196 VanDerWaalsContact CD2-CD2 3.46Å; L184-F196 HydrophobicContact CD2-CE2 3.86Å; L184-F196 HydrophobicContact CD2-CG 4.17Å; L184-V223 HydrophobicContact CD1-CG1 4.31Å
185R92.1Very high91.2Very high106 Ų10658.6 Ų58.640%0.429%0.29SS..EExtended strand (participates in β ladder)trans-86.2-46.6173.9-68.4176.6173.8172.84.8110.9E197 E206R185-E197 HydrophobicContact CB-CB 4.44Å; R185-E197 HydrophobicContact CB-CG 4.47Å; R185-E197 WeakPolarHBondContact CD-OE1 3.32Å; R185-E197 IonicContact CZ-OE1 2.73Å; R185-E197 PolarHBondContact N-O 2.9Å; R185-E197 IonicContact NE-OE1 3.8Å; R185-E197 IonicContact NH1-OE1 2.71Å; R185-E197 PolarHBondContact NH1-OE1 3.23Å; R185-E206 VanDerWaalsContact CZ-CD 3.45Å; R185-E206 IonicContact CZ-OE1 2.93Å; R185-E206 IonicContact CZ-OE2 3.31Å; R185-E206 IonicContact NH1-OE1 2.78Å; R185-E206 PolarHBondContact NH1-OE1 2.8Å; R185-E206 IonicContact NH1-OE2 3.6Å; R185-E206 IonicContact NH2-OE1 3.82Å; R185-E206 PolarHBondContact NH2-OE1 3.42Å; R185-E206 IonicContact NH2-OE2 2.9Å; R185-E206 PolarHBondContact NH2-OE2 3.01Å
186R92.6Very high91.5Very high182 Ų18253.6 Ų53.669%0.68727%0.268SS*.EExtended strand (participates in β ladder)trans-151.8150.1-174.3-57.5-177.370.9176.60.3109.6F196 E197R186-F196 CarbonylContact O-C 3.5Å; R186-F196 VanDerWaalsContact O-CA 3.3Å; R186-F196 WeakPolarHBondContact O-CA 3.22Å; R186-F196 WeakPolarHBondContact O-CB 3.37Å; R186-E197 PolarHBondContact O-N 2.92Å
187Y94.8Very high91.8Very high61 Ų6153.5 Ų53.524%0.23927%0.266CS..EExtended strand (participates in β ladder)trans-141.515117147.8-88.9000109.3L184 T195 Y220 V223 H224 A227L184-Y187 HydrophobicContact CD1-CD1 4.45Å; Y187-T195 CarbonylContact C-O 3.47Å; Y187-T195 VanDerWaalsContact CA-O 3.29Å; Y187-T195 WeakPolarHBondContact CA-O 3.37Å; Y187-Y220 AromaticContact CD2-CD2 3.75Å; Y187-Y220 HydrophobicContact CD2-CD2 3.75Å; Y187-Y220 AromaticContact CD2-CE2 3.46Å; Y187-Y220 HydrophobicContact CD2-CE2 3.46Å; Y187-Y220 VanDerWaalsContact CD2-CE2 3.46Å; Y187-Y220 HydrophobicContact CE2-CD2 4.25Å; Y187-Y220 AromaticContact CE2-CE2 3.7Å; Y187-Y220 HydrophobicContact CE2-CE2 3.7Å; Y187-V223 HydrophobicContact CD1-CG1 4.08Å; Y187-V223 HydrophobicContact CD2-CG1 4.01Å; Y187-V223 HydrophobicContact CE1-CG1 4.33Å; Y187-V223 HydrophobicContact CE2-CG1 4.25Å; Y187-V223 HydrophobicContact CG-CG1 3.92Å; Y187-H224 HydrophobicContact CE2-CB 3.86Å; Y187-H224 AromaticContact CE2-ND1 3.7Å; Y187-H224 AromaticContact CZ-ND1 3.8Å; Y187-H224 PolarHBondContact OH-ND1 3.12Å; Y187-A227 HydrophobicContact CE1-CB 4.29Å
188G92.2Very high91.9Very high21 Ų2152.4 Ų52.422%0.21626%0.261CS..EExtended strand (participates in β ladder)trans-149.8162.2-173.900000111.1F194 T195G188-F194 VanDerWaalsContact O-CD2 3.26Å; G188-F194 WeakPolarHBondContact O-CD2 3.41Å; G188-T195 PolarHBondContact N-O 3.42Å; G188-T195 PolarHBondContact O-N 3.41Å
189R92.4Very high91.9Very high120 Ų12051.6 Ų51.645%0.45326%0.256SS..EExtended strand (participates in β ladder)trans-145.9155.4-176.367.796.3179.6-159.5-13111.8F194 E217 Y220R189-F194 HydrophobicContact CB-CD2 4.41Å; R189-E217 WeakPolarHBondContact CD-OE2 3.47Å; R189-E217 IonicContact CZ-OE1 3.56Å; R189-E217 VanDerWaalsContact CZ-OE1 3.31Å; R189-E217 IonicContact CZ-OE2 3.09Å; R189-E217 IonicContact NE-OE2 2.82Å; R189-E217 PolarHBondContact NE-OE2 2.87Å; R189-E217 IonicContact NH1-OE1 3.45Å; R189-E217 IonicContact NH1-OE2 2.83Å; R189-E217 PolarHBondContact NH1-OE2 2.93Å; R189-E217 VanDerWaalsContact NH1-OE2 3.09Å; R189-E217 IonicContact NH2-OE1 3.07Å; R189-E217 PolarHBondContact NH2-OE1 3.43Å; R189-E217 IonicContact NH2-OE2 2.71Å; R189-E217 PolarHBondContact NH2-OE2 3.28Å; R189-Y220 HydrophobicContact CB-CD2 3.96Å; R189-Y220 HydrophobicContact CB-CG 3.99Å; R189-Y220 HydrophobicContact CG-CD1 4.13Å; R189-Y220 HydrophobicContact CG-CD2 3.71Å; R189-Y220 HydrophobicContact CG-CE2 4.42Å; R189-Y220 HydrophobicContact CG-CG 3.55Å
190D90.6Very high91.6Very high63 Ų6361 Ų6134%0.33729%0.292SS..  trans-144.2178.2169.7-176.626.1000108.7T192 W193D190-T192 PolarHBondContact O-N 3.1Å; D190-W193 HydrophobicContact CB-CG 4.15Å; D190-W193 PolarHBondContact N-O 2.79Å; D190-W193 PolarHBondContact OD2-NE1 3.4Å
191T83.3Confident91.2Very high105 Ų10567.5 Ų67.564%0.64432%0.322SS*.SBendtrans-61.4-24.1176.657.10000114.2
192T85.6Confident91.1Very high75 Ų7567.6 Ų67.646%0.4632%0.323SS..SBendtrans-125.1-4.4-174.461.40000114.7D190 T213D190-T192 PolarHBondContact O-N 3.1Å; T192-T213 CarbonylContact C-O 3.57Å; T192-T213 WeakPolarHBondContact CA-O 3.46Å; T192-T213 PolarHBondContact O-N 2.87Å
193W90.9Very high90.7Very high105 Ų10570.8 Ų70.840%0.39833%0.327SS..EExtended strand (participates in β ladder)trans-153.1153.3-178.356.3-56.1000112.3D190 T195 I210 F211 T213D190-W193 HydrophobicContact CB-CG 4.15Å; D190-W193 PolarHBondContact N-O 2.79Å; D190-W193 PolarHBondContact OD2-NE1 3.4Å; W193-T195 HydrophobicContact CE3-CG2 4.28Å; W193-T195 HydrophobicContact CZ3-CG2 4.09Å; W193-I210 HydrophobicContact CE3-CG2 3.79Å; W193-I210 HydrophobicContact CZ3-CG2 4.45Å; W193-F211 CarbonylContact C-O 3.5Å; W193-F211 WeakPolarHBondContact CA-O 3.29Å; W193-F211 WeakPolarHBondContact CB-O 3.39Å; W193-T213 PolarHBondContact N-O 3.39Å
194F94.3Very high90.5Very high0 Ų070.9 Ų70.90%033%0.327CS..EExtended strand (participates in β ladder)trans-122.2143.2169.4171-105.5000107.8L157 G188 R189 F196 F211 T213 I219 V223L157-F194 HydrophobicContact CD2-CD1 4.24Å; L157-F194 HydrophobicContact CD2-CE1 4.37Å; G188-F194 VanDerWaalsContact O-CD2 3.26Å; G188-F194 WeakPolarHBondContact O-CD2 3.41Å; R189-F194 HydrophobicContact CB-CD2 4.41Å; F194-F196 AromaticContact CE1-CD1 3.73Å; F194-F196 HydrophobicContact CE1-CD1 3.73Å; F194-F196 HydrophobicContact CE1-CE1 4.43Å; F194-F196 HydrophobicContact CZ-CD1 4.28Å; F194-F211 HydrophobicContact CB-CB 4.44Å; F194-F211 AromaticContact CD1-CD2 3.89Å; F194-F211 HydrophobicContact CD1-CD2 3.89Å; F194-F211 HydrophobicContact CD1-CG 4.47Å; F194-F211 HydrophobicContact CE1-CD2 4.44Å; F194-F211 PolarHBondContact N-O 2.81Å; F194-F211 WeakPolarHBondContact O-CA 3.26Å; F194-F211 WeakPolarHBondContact O-CB 3.49Å; F194-F211 PolarHBondContact O-N 2.89Å; F194-T213 HydrophobicContact CB-CG2 4.07Å; F194-I219 HydrophobicContact CB-CG2 4.43Å; F194-I219 HydrophobicContact CD1-CG2 3.58Å; F194-I219 HydrophobicContact CD2-CB 4.41Å; F194-I219 HydrophobicContact CD2-CG2 3.75Å; F194-I219 HydrophobicContact CE1-CG2 3.64Å; F194-I219 HydrophobicContact CE2-CG2 3.84Å; F194-I219 HydrophobicContact CG-CB 4.36Å; F194-I219 HydrophobicContact CG-CG2 3.64Å; F194-I219 HydrophobicContact CZ-CG2 3.79Å; F194-V223 HydrophobicContact CE2-CG2 4.47Å; F194-V223 HydrophobicContact CZ-CB 4.43Å; F194-V223 HydrophobicContact CZ-CG2 3.87Å
195T94.8Very high90.2Very high21 Ų2171 Ų7113%0.12933%0.333CS..EExtended strand (participates in β ladder)trans-143.4146.7-176.8-1770000111.3Y187 G188 W193 L208 F209Y187-T195 CarbonylContact C-O 3.47Å; Y187-T195 VanDerWaalsContact CA-O 3.29Å; Y187-T195 WeakPolarHBondContact CA-O 3.37Å; G188-T195 PolarHBondContact N-O 3.42Å; G188-T195 PolarHBondContact O-N 3.41Å; W193-T195 HydrophobicContact CE3-CG2 4.28Å; W193-T195 HydrophobicContact CZ3-CG2 4.09Å; T195-L208 WeakPolarHBondContact OG1-CD1 3.39Å; T195-F209 VanDerWaalsContact CA-O 3.27Å; T195-F209 WeakPolarHBondContact CA-O 3.15Å; T195-F209 PolarHBondContact OG1-O 3.35Å
196F95.4Very high90.1Very high1 Ų170.1 Ų70.10%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-146.1152.9169.169.4-99.1000112.2I164 W179 L184 R186 F194 A198 F209 F211I164-F196 HydrophobicContact CD1-CD1 4.31Å; I164-F196 HydrophobicContact CD1-CE1 4.33Å; I164-F196 HydrophobicContact CG2-CE1 4.31Å; W179-F196 HydrophobicContact CB-CE2 4.42Å; W179-F196 AromaticContact CD2-CE2 3.95Å; W179-F196 HydrophobicContact CD2-CE2 3.95Å; W179-F196 AromaticContact CD2-CZ 3.55Å; W179-F196 HydrophobicContact CD2-CZ 3.55Å; W179-F196 AromaticContact CE2-CZ 3.9Å; W179-F196 HydrophobicContact CE3-CE1 4.34Å; W179-F196 HydrophobicContact CE3-CE2 4.37Å; W179-F196 AromaticContact CE3-CZ 3.54Å; W179-F196 HydrophobicContact CE3-CZ 3.54Å; W179-F196 AromaticContact CG-CE2 3.93Å; W179-F196 HydrophobicContact CG-CE2 3.93Å; W179-F196 AromaticContact CG-CZ 3.99Å; W179-F196 HydrophobicContact CG-CZ 3.99Å; W179-F196 HydrophobicContact CH2-CZ 4.13Å; W179-F196 HydrophobicContact CZ2-CZ 4.21Å; W179-F196 HydrophobicContact CZ3-CE1 4.4Å; W179-F196 AromaticContact CZ3-CZ 3.79Å; W179-F196 HydrophobicContact CZ3-CZ 3.79Å; L184-F196 HydrophobicContact CD2-CD2 3.46Å; L184-F196 VanDerWaalsContact CD2-CD2 3.46Å; L184-F196 HydrophobicContact CD2-CE2 3.86Å; L184-F196 HydrophobicContact CD2-CG 4.17Å; R186-F196 CarbonylContact O-C 3.5Å; R186-F196 VanDerWaalsContact O-CA 3.3Å; R186-F196 WeakPolarHBondContact O-CA 3.22Å; R186-F196 WeakPolarHBondContact O-CB 3.37Å; F194-F196 AromaticContact CE1-CD1 3.73Å; F194-F196 HydrophobicContact CE1-CD1 3.73Å; F194-F196 HydrophobicContact CE1-CE1 4.43Å; F194-F196 HydrophobicContact CZ-CD1 4.28Å; F196-A198 HydrophobicContact CE2-CB 4.26Å; F196-F209 HydrophobicContact CD2-CD2 4.11Å; F196-F209 HydrophobicContact CE1-CB 4.16Å; F196-F209 HydrophobicContact CE2-CB 4.11Å; F196-F209 AromaticContact CE2-CD2 3.44Å; F196-F209 HydrophobicContact CE2-CD2 3.44Å; F196-F209 VanDerWaalsContact CE2-CD2 3.44Å; F196-F209 HydrophobicContact CE2-CE2 4.26Å; F196-F209 HydrophobicContact CE2-CG 4.08Å; F196-F209 HydrophobicContact CZ-CB 3.9Å; F196-F209 AromaticContact CZ-CD2 3.88Å; F196-F209 HydrophobicContact CZ-CD2 3.88Å; F196-F209 HydrophobicContact CZ-CG 4.08Å; F196-F209 PolarHBondContact N-O 3.46Å; F196-F209 PolarHBondContact O-N 3.04Å; F196-F211 HydrophobicContact CD1-CD2 4.38Å; F196-F211 AromaticContact CD1-CE2 3.68Å; F196-F211 HydrophobicContact CD1-CE2 3.68Å; F196-F211 HydrophobicContact CE1-CD2 4.23Å; F196-F211 AromaticContact CE1-CE2 3.19Å; F196-F211 HydrophobicContact CE1-CE2 3.19Å; F196-F211 AromaticContact CE1-CZ 3.68Å; F196-F211 HydrophobicContact CE1-CZ 3.68Å; F196-F211 HydrophobicContact CZ-CE2 4Å; F196-F211 HydrophobicContact CZ-CZ 4.18Å
197E95Very high89.9Confident55 Ų5561.9 Ų61.926%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-104.1113.4173.7-170.4-169.1151.600109.2R185 R186 G207 L208R185-E197 HydrophobicContact CB-CB 4.44Å; R185-E197 HydrophobicContact CB-CG 4.47Å; R185-E197 WeakPolarHBondContact CD-OE1 3.32Å; R185-E197 IonicContact CZ-OE1 2.73Å; R185-E197 PolarHBondContact N-O 2.9Å; R185-E197 IonicContact NE-OE1 3.8Å; R185-E197 IonicContact NH1-OE1 2.71Å; R185-E197 PolarHBondContact NH1-OE1 3.23Å; R186-E197 PolarHBondContact O-N 2.92Å; E197-G207 CarbonylContact C-O 3.54Å; E197-G207 WeakPolarHBondContact CA-O 3.39Å; E197-L208 HydrophobicContact CB-CD1 4.34Å
198A93.6Very high89.8Confident0 Ų063.8 Ų63.80%032%0.319CS..EExtended strand (participates in β ladder)trans-78.3140.6172.700000110.5F196 C202 E206 G207 F209F196-A198 HydrophobicContact CE2-CB 4.26Å; A198-C202 HydrophobicContact CB-CB 4.08Å; A198-E206 WeakPolarHBondContact O-CA 3.5Å; A198-G207 PolarHBondContact N-O 3.26Å; A198-G207 PolarHBondContact O-N 3.13Å; A198-G207 VanDerWaalsContact O-N 3.16Å; A198-F209 HydrophobicContact CB-CD2 4.16Å; A198-F209 HydrophobicContact CB-CE2 3.71Å
199G90.8Very high89.8Confident6 Ų662.8 Ų62.86%0.06231%0.309CS..  trans-82.8174.317000000113.3A183 M201 C202 G205A183-G199 WeakPolarHBondContact O-CA 3.41Å; A183-G199 PolarHBondContact O-N 2.98Å; G199-M201 PolarHBondContact O-N 2.93Å; G199-M201 VanDerWaalsContact O-N 3.1Å; G199-C202 WeakPolarHBondContact O-CB 3.4Å; G199-C202 PolarHBondContact O-N 3.42Å; G199-C202 VanDerWaalsContact O-N 3.12Å; G199-G205 CarbonylContact O-C 3.55Å
200R88.6Confident89.8Confident196 Ų19659.8 Ų59.874%0.7430%0.301SS*.THydrogen-bonded Turntrans-61.6-17.1178.9-64.8-177.3-73179.5-5.6114.9C202 E206R200-C202 VanDerWaalsContact C-N 3.27Å; R200-E206 HydrophobicContact CG-CB 3.78Å; R200-E206 VanDerWaalsContact CG-OE2 3.27Å; R200-E206 WeakPolarHBondContact CG-OE2 3.3Å
201M84.3Confident90Very high166 Ų16656.8 Ų56.882%0.81829%0.285SS*.THydrogen-bonded Turntrans-80.4-8.5178.8-60.8-56.8-64.200112.9A183 G199A183-M201 HydrophobicContact CB-CB 4.09Å; G199-M201 PolarHBondContact O-N 2.93Å; G199-M201 VanDerWaalsContact O-N 3.1Å
202C87.6Confident90.3Very high7 Ų756.2 Ų56.25%0.04728%0.275CS..SBendtrans-79.3150.6174.6-65.20000111.1A183 A198 G199 R200 T204 G205A183-C202 VanDerWaalsContact CB-SG 3.51Å; A198-C202 HydrophobicContact CB-CB 4.08Å; G199-C202 WeakPolarHBondContact O-CB 3.4Å; G199-C202 PolarHBondContact O-N 3.42Å; G199-C202 VanDerWaalsContact O-N 3.12Å; R200-C202 VanDerWaalsContact C-N 3.27Å; C202-T204 PolarHBondContact O-N 2.9Å; C202-G205 WeakPolarHBondContact O-CA 3.49Å; C202-G205 PolarHBondContact O-N 3.06Å
203E83.1Confident90.5Very high159 Ų15952.8 Ų52.874%0.74325%0.254SS*.THydrogen-bonded Turntrans-59.8-30.6177.4-65.2179.1165.700112.8G205E203-G205 PolarHBondContact O-N 3.21Å
204T86.1Confident90.2Very high18 Ų1855.3 Ų55.311%0.1126%0.263CS..THydrogen-bonded Turntrans-71.8-10.7172.854.10000114.5I177 W179 C202 F209I177-T204 HydrophobicContact CD1-CG2 3.12Å; I177-T204 HydrophobicContact CG1-CG2 3.94Å; W179-T204 HydrophobicContact CZ2-CG2 3.8Å; W179-T204 PolarHBondContact NE1-OG1 2.81Å; C202-T204 PolarHBondContact O-N 2.9Å; T204-F209 HydrophobicContact CG2-CE1 4.39Å; T204-F209 HydrophobicContact CG2-CE2 4.49Å; T204-F209 HydrophobicContact CG2-CZ 3.77Å
205G86.3Confident89.8Confident25 Ų2559 Ų5926%0.25828%0.283SS..  trans69.2-170.8-161.900000113G199 C202 E203G199-G205 CarbonylContact O-C 3.55Å; C202-G205 WeakPolarHBondContact O-CA 3.49Å; C202-G205 PolarHBondContact O-N 3.06Å; E203-G205 PolarHBondContact O-N 3.21Å
206E89.3Confident89.6Confident87 Ų8758 Ų5841%0.40728%0.277SS..SBendtrans-72.3125.4-178.8173.3175.3169.900111.5N148 R185 A198 R200N148-E206 PolarHBondContact ND2-O 2.7Å; R185-E206 VanDerWaalsContact CZ-CD 3.45Å; R185-E206 IonicContact CZ-OE1 2.93Å; R185-E206 IonicContact CZ-OE2 3.31Å; R185-E206 IonicContact NH1-OE1 2.78Å; R185-E206 PolarHBondContact NH1-OE1 2.8Å; R185-E206 IonicContact NH1-OE2 3.6Å; R185-E206 IonicContact NH2-OE1 3.82Å; R185-E206 PolarHBondContact NH2-OE1 3.42Å; R185-E206 IonicContact NH2-OE2 2.9Å; R185-E206 PolarHBondContact NH2-OE2 3.01Å; A198-E206 WeakPolarHBondContact O-CA 3.5Å; R200-E206 HydrophobicContact CG-CB 3.78Å; R200-E206 VanDerWaalsContact CG-OE2 3.27Å; R200-E206 WeakPolarHBondContact CG-OE2 3.3Å
207G89.8Confident89.3Confident8 Ų861.1 Ų61.18%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-174.4157.6-176.300000114.9N148 E197 A198N148-G207 WeakPolarHBondContact ND2-CA 3.14Å; E197-G207 CarbonylContact C-O 3.54Å; E197-G207 WeakPolarHBondContact CA-O 3.39Å; A198-G207 PolarHBondContact N-O 3.26Å; A198-G207 PolarHBondContact O-N 3.13Å; A198-G207 VanDerWaalsContact O-N 3.16Å
208L91.9Very high89Confident101 Ų10160.5 Ų60.553%0.52930%0.296SS..EExtended strand (participates in β ladder)trans-96.1124.3173.2-175.970.1000110T195 E197 I210T195-L208 WeakPolarHBondContact OG1-CD1 3.39Å; E197-L208 HydrophobicContact CB-CD1 4.34Å; L208-I210 HydrophobicContact CD2-CD1 4.18Å; L208-I210 HydrophobicContact CD2-CG1 4.35Å; L208-I210 HydrophobicContact CG-CG1 4.29Å
209F92.8Very high89Confident1 Ų160.5 Ų60.50%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-112.5123.3177.8-62.8-79.4000110.2L143 L149 W179 T195 F196 A198 T204 F211L143-F209 HydrophobicContact CD1-CD1 4.28Å; L149-F209 HydrophobicContact CB-CE1 3.88Å; L149-F209 HydrophobicContact CD2-CD1 4.42Å; L149-F209 HydrophobicContact CD2-CE1 3.95Å; W179-F209 HydrophobicContact CH2-CD1 4.45Å; W179-F209 AromaticContact CZ2-CD1 3.96Å; W179-F209 HydrophobicContact CZ2-CD1 3.96Å; W179-F209 HydrophobicContact CZ2-CD2 4.19Å; W179-F209 AromaticContact CZ2-CE1 3.84Å; W179-F209 HydrophobicContact CZ2-CE1 3.84Å; W179-F209 HydrophobicContact CZ2-CE2 4.06Å; W179-F209 HydrophobicContact CZ2-CG 4.13Å; W179-F209 AromaticContact CZ2-CZ 3.9Å; W179-F209 HydrophobicContact CZ2-CZ 3.9Å; W179-F209 AromaticContact NE1-CE2 3.58Å; W179-F209 AromaticContact NE1-CZ 3.89Å; T195-F209 VanDerWaalsContact CA-O 3.27Å; T195-F209 WeakPolarHBondContact CA-O 3.15Å; T195-F209 PolarHBondContact OG1-O 3.35Å; F196-F209 HydrophobicContact CD2-CD2 4.11Å; F196-F209 HydrophobicContact CE1-CB 4.16Å; F196-F209 HydrophobicContact CE2-CB 4.11Å; F196-F209 AromaticContact CE2-CD2 3.44Å; F196-F209 HydrophobicContact CE2-CD2 3.44Å; F196-F209 VanDerWaalsContact CE2-CD2 3.44Å; F196-F209 HydrophobicContact CE2-CE2 4.26Å; F196-F209 HydrophobicContact CE2-CG 4.08Å; F196-F209 HydrophobicContact CZ-CB 3.9Å; F196-F209 AromaticContact CZ-CD2 3.88Å; F196-F209 HydrophobicContact CZ-CD2 3.88Å; F196-F209 HydrophobicContact CZ-CG 4.08Å; F196-F209 PolarHBondContact N-O 3.46Å; F196-F209 PolarHBondContact O-N 3.04Å; A198-F209 HydrophobicContact CB-CD2 4.16Å; A198-F209 HydrophobicContact CB-CE2 3.71Å; T204-F209 HydrophobicContact CG2-CE1 4.39Å; T204-F209 HydrophobicContact CG2-CE2 4.49Å; T204-F209 HydrophobicContact CG2-CZ 3.77Å; F209-F211 HydrophobicContact CB-CE2 3.58Å; F209-F211 HydrophobicContact CB-CZ 3.91Å
210I92.8Very high89.1Confident56 Ų5662.9 Ų62.929%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-113.5125.7-177.9-61170.3000109.2M144 W193 L208M144-I210 HydrophobicContact CB-CB 4.16Å; M144-I210 HydrophobicContact CB-CG2 4.47Å; M144-I210 WeakPolarHBondContact CB-O 3.37Å; M144-I210 HydrophobicContact CG-CB 4.08Å; M144-I210 HydrophobicContact CG-CG2 3.83Å; M144-I210 WeakPolarHBondContact CG-O 3.29Å; M144-I210 PolarHBondContact N-O 3.21Å; W193-I210 HydrophobicContact CE3-CG2 3.79Å; W193-I210 HydrophobicContact CZ3-CG2 4.45Å; L208-I210 HydrophobicContact CD2-CD1 4.18Å; L208-I210 HydrophobicContact CD2-CG1 4.35Å; L208-I210 HydrophobicContact CG-CG1 4.29Å
211F93.1Very high89.2Confident0 Ų057.8 Ų57.80%029%0.288CS..EExtended strand (participates in β ladder)trans-116.5117.2-179.5-59.9-84.4000109.5V141 Y142 L143 L166 W179 W193 F194 F196 F209V141-F211 HydrophobicContact CB-CB 4.14Å; V141-F211 HydrophobicContact CB-CD1 4.21Å; V141-F211 HydrophobicContact CG2-CB 4.42Å; V141-F211 HydrophobicContact CG2-CD1 3.57Å; V141-F211 HydrophobicContact CG2-CE1 4.31Å; V141-F211 HydrophobicContact CG2-CG 4.35Å; Y142-F211 CarbonylContact O-C 3.56Å; Y142-F211 WeakPolarHBondContact O-CA 3.32Å; L143-F211 HydrophobicContact CB-CD1 4.13Å; L143-F211 HydrophobicContact CB-CE1 4.01Å; L143-F211 HydrophobicContact CD1-CD1 4.09Å; L143-F211 HydrophobicContact CD1-CE1 3.58Å; L143-F211 HydrophobicContact CD1-CZ 3.84Å; L143-F211 HydrophobicContact CG-CE1 4.24Å; L166-F211 HydrophobicContact CD1-CE1 3.85Å; L166-F211 HydrophobicContact CD1-CZ 4.28Å; L166-F211 HydrophobicContact CD2-CE1 3.84Å; L166-F211 HydrophobicContact CG-CE1 4.33Å; W179-F211 HydrophobicContact CH2-CZ 4.26Å; W179-F211 HydrophobicContact CZ3-CZ 4.29Å; W193-F211 CarbonylContact C-O 3.5Å; W193-F211 WeakPolarHBondContact CA-O 3.29Å; W193-F211 WeakPolarHBondContact CB-O 3.39Å; F194-F211 HydrophobicContact CB-CB 4.44Å; F194-F211 AromaticContact CD1-CD2 3.89Å; F194-F211 HydrophobicContact CD1-CD2 3.89Å; F194-F211 HydrophobicContact CD1-CG 4.47Å; F194-F211 HydrophobicContact CE1-CD2 4.44Å; F194-F211 PolarHBondContact N-O 2.81Å; F194-F211 WeakPolarHBondContact O-CA 3.26Å; F194-F211 WeakPolarHBondContact O-CB 3.49Å; F194-F211 PolarHBondContact O-N 2.89Å; F196-F211 HydrophobicContact CD1-CD2 4.38Å; F196-F211 AromaticContact CD1-CE2 3.68Å; F196-F211 HydrophobicContact CD1-CE2 3.68Å; F196-F211 HydrophobicContact CE1-CD2 4.23Å; F196-F211 AromaticContact CE1-CE2 3.19Å; F196-F211 HydrophobicContact CE1-CE2 3.19Å; F196-F211 AromaticContact CE1-CZ 3.68Å; F196-F211 HydrophobicContact CE1-CZ 3.68Å; F196-F211 HydrophobicContact CZ-CE2 4Å; F196-F211 HydrophobicContact CZ-CZ 4.18Å; F209-F211 HydrophobicContact CB-CE2 3.58Å; F209-F211 HydrophobicContact CB-CZ 3.91Å
212Q90.8Very high89.5Confident94 Ų9452.5 Ų52.544%0.43926%0.26SS..EExtended strand (participates in β ladder)trans-79.4122.9169.8173.1173.682.200109.4Y142Y142-Q212 PolarHBondContact N-O 2.69Å; Y142-Q212 PolarHBondContact O-N 3.34Å
213T88.8Confident89.8Confident2 Ų252.1 Ų52.11%0.01226%0.258CS..  trans-163.6151.4-176.6-177.10000110.9N140 V141 T192 W193 F194 D215 I219N140-T213 PolarHBondContact O-OG1 2.81Å; V141-T213 HydrophobicContact CG1-CG2 4.21Å; T192-T213 CarbonylContact C-O 3.57Å; T192-T213 WeakPolarHBondContact CA-O 3.46Å; T192-T213 PolarHBondContact O-N 2.87Å; W193-T213 PolarHBondContact N-O 3.39Å; F194-T213 HydrophobicContact CB-CG2 4.07Å; T213-D215 PolarHBondContact OG1-N 3.01Å; T213-I219 HydrophobicContact CG2-CD1 3.7Å
214R85.1Confident90.2Very high158 Ų15847.4 Ų47.460%0.59624%0.236SC*.SBendtrans-84.1-20.4172.4-65.3-175.6176.5-177.21.3112.8K37 G216K37-R214 PolarHBondContact O-NE 3.24Å; K37-R214 PolarHBondContact O-NH1 3.34Å; K37-R214 PolarHBondContact O-NH2 2.78Å; R214-G216 PolarHBondContact O-N 2.78Å
215D86.7Confident90.5Very high79 Ų7950.3 Ų50.342%0.42226%0.257SS..  trans-93.524.8-176.8-58.5-43.5000111.6F139 T213 E217 A218 I219F139-D215 HydrophobicContact CD1-CB 3.61Å; F139-D215 HydrophobicContact CE1-CB 4.04Å; T213-D215 PolarHBondContact OG1-N 3.01Å; D215-E217 PolarHBondContact O-N 2.71Å; D215-A218 HydrophobicContact CB-CB 4.44Å; D215-A218 PolarHBondContact O-N 3.48Å; D215-I219 HydrophobicContact CB-CD1 4.47Å; D215-I219 WeakPolarHBondContact O-CG1 3.39Å; D215-I219 PolarHBondContact O-N 2.99Å
216G89.1Confident90.7Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-58-35.4-174.700000113.1R214 Y220R214-G216 PolarHBondContact O-N 2.78Å; G216-Y220 VanDerWaalsContact O-CB 3.32Å; G216-Y220 WeakPolarHBondContact O-CB 3.25Å; G216-Y220 PolarHBondContact O-N 3.19Å
217E89.9Confident90.8Very high65 Ų6546.5 Ų46.530%0.30424%0.238SC..Hα-helixtrans-69.2-45.1174.2175.560157.100112.9R189 D215 I219 Y220 Q221R189-E217 WeakPolarHBondContact CD-OE2 3.47Å; R189-E217 IonicContact CZ-OE1 3.56Å; R189-E217 VanDerWaalsContact CZ-OE1 3.31Å; R189-E217 IonicContact CZ-OE2 3.09Å; R189-E217 IonicContact NE-OE2 2.82Å; R189-E217 PolarHBondContact NE-OE2 2.87Å; R189-E217 IonicContact NH1-OE1 3.45Å; R189-E217 IonicContact NH1-OE2 2.83Å; R189-E217 PolarHBondContact NH1-OE2 2.93Å; R189-E217 VanDerWaalsContact NH1-OE2 3.09Å; R189-E217 IonicContact NH2-OE1 3.07Å; R189-E217 PolarHBondContact NH2-OE1 3.43Å; R189-E217 IonicContact NH2-OE2 2.71Å; R189-E217 PolarHBondContact NH2-OE2 3.28Å; D215-E217 PolarHBondContact O-N 2.71Å; E217-I219 VanDerWaalsContact C-N 3.3Å; E217-I219 PolarHBondContact O-N 3.46Å; E217-Y220 PolarHBondContact O-N 3.36Å; E217-Q221 HydrophobicContact CG-CG 4.45Å; E217-Q221 WeakPolarHBondContact O-CG 3.44Å; E217-Q221 PolarHBondContact O-N 3.04Å; E217-Q221 PolarHBondContact OE1-NE2 3.07Å
218A89.3Confident90.8Very high43 Ų4350.2 Ų50.236%0.35526%0.256SS..Hα-helixtrans-63.2-40.6179.300000111.3F139 D215 K222F139-A218 HydrophobicContact CE1-CB 3.86Å; F139-A218 HydrophobicContact CZ-CB 4.21Å; D215-A218 HydrophobicContact CB-CB 4.44Å; D215-A218 PolarHBondContact O-N 3.48Å; A218-K222 WeakPolarHBondContact O-CG 3.19Å; A218-K222 PolarHBondContact O-N 2.93Å
219I92Very high90.7Very high0 Ų047.8 Ų47.80%025%0.25CS..Hα-helixtrans-61.6-49.2173.9-68.6159.2000110.2F139 V141 L157 I159 F194 T213 D215 E217 Q221 K222 V223F139-I219 HydrophobicContact CB-CD1 3.77Å; F139-I219 HydrophobicContact CB-CG1 3.92Å; F139-I219 HydrophobicContact CD1-CD1 4.24Å; F139-I219 HydrophobicContact CD1-CG1 3.8Å; F139-I219 HydrophobicContact CD2-CD1 4.41Å; F139-I219 HydrophobicContact CD2-CG1 3.61Å; F139-I219 HydrophobicContact CE1-CG1 4.18Å; F139-I219 HydrophobicContact CE2-CG1 4.02Å; F139-I219 HydrophobicContact CG-CD1 3.89Å; F139-I219 HydrophobicContact CG-CG1 3.48Å; F139-I219 VanDerWaalsContact CG-CG1 3.48Å; F139-I219 HydrophobicContact CZ-CG1 4.27Å; V141-I219 HydrophobicContact CG1-CD1 3.95Å; L157-I219 HydrophobicContact CD2-CD1 4.02Å; L157-I219 HydrophobicContact CD2-CG1 4.25Å; L157-I219 HydrophobicContact CD2-CG2 3.7Å; I159-I219 HydrophobicContact CD1-CG1 4.32Å; I159-I219 HydrophobicContact CD1-CG2 4.03Å; F194-I219 HydrophobicContact CB-CG2 4.43Å; F194-I219 HydrophobicContact CD1-CG2 3.58Å; F194-I219 HydrophobicContact CD2-CB 4.41Å; F194-I219 HydrophobicContact CD2-CG2 3.75Å; F194-I219 HydrophobicContact CE1-CG2 3.64Å; F194-I219 HydrophobicContact CE2-CG2 3.84Å; F194-I219 HydrophobicContact CG-CB 4.36Å; F194-I219 HydrophobicContact CG-CG2 3.64Å; F194-I219 HydrophobicContact CZ-CG2 3.79Å; T213-I219 HydrophobicContact CG2-CD1 3.7Å; D215-I219 HydrophobicContact CB-CD1 4.47Å; D215-I219 WeakPolarHBondContact O-CG1 3.39Å; D215-I219 PolarHBondContact O-N 2.99Å; E217-I219 VanDerWaalsContact C-N 3.3Å; E217-I219 PolarHBondContact O-N 3.46Å; I219-Q221 PolarHBondContact O-N 3.42Å; I219-K222 PolarHBondContact O-N 3.21Å; I219-V223 HydrophobicContact CG2-CG2 4.28Å; I219-V223 WeakPolarHBondContact O-CG2 3.18Å; I219-V223 PolarHBondContact O-N 2.9Å
220Y93Very high90.5Very high55 Ų5549.4 Ų49.422%0.21626%0.258CS..Hα-helixtrans-58.3-46.8180176.9-90.4000112.4Y187 R189 G216 E217 K222 V223 H224Y187-Y220 AromaticContact CD2-CD2 3.75Å; Y187-Y220 HydrophobicContact CD2-CD2 3.75Å; Y187-Y220 AromaticContact CD2-CE2 3.46Å; Y187-Y220 HydrophobicContact CD2-CE2 3.46Å; Y187-Y220 VanDerWaalsContact CD2-CE2 3.46Å; Y187-Y220 HydrophobicContact CE2-CD2 4.25Å; Y187-Y220 AromaticContact CE2-CE2 3.7Å; Y187-Y220 HydrophobicContact CE2-CE2 3.7Å; R189-Y220 HydrophobicContact CB-CD2 3.96Å; R189-Y220 HydrophobicContact CB-CG 3.99Å; R189-Y220 HydrophobicContact CG-CD1 4.13Å; R189-Y220 HydrophobicContact CG-CD2 3.71Å; R189-Y220 HydrophobicContact CG-CE2 4.42Å; R189-Y220 HydrophobicContact CG-CG 3.55Å; G216-Y220 VanDerWaalsContact O-CB 3.32Å; G216-Y220 WeakPolarHBondContact O-CB 3.25Å; G216-Y220 PolarHBondContact O-N 3.19Å; E217-Y220 PolarHBondContact O-N 3.36Å; Y220-K222 VanDerWaalsContact C-N 3.28Å; Y220-K222 PolarHBondContact O-N 3.04Å; Y220-V223 PolarHBondContact O-N 3.48Å; Y220-H224 HydrophobicContact CD1-CB 4.47Å; Y220-H224 HydrophobicContact CE1-CB 4.15Å; Y220-H224 WeakPolarHBondContact O-CB 3.5Å; Y220-H224 PolarHBondContact O-N 2.96Å
221Q91.2Very high90.3Very high90 Ų9049.4 Ų49.442%0.42127%0.267SS..Hα-helixtrans-60.6-39.8179.5-68.4-62.3-19.900111.7E217 I219 S225E217-Q221 HydrophobicContact CG-CG 4.45Å; E217-Q221 WeakPolarHBondContact O-CG 3.44Å; E217-Q221 PolarHBondContact O-N 3.04Å; E217-Q221 PolarHBondContact OE1-NE2 3.07Å; I219-Q221 PolarHBondContact O-N 3.42Å; Q221-S225 VanDerWaalsContact O-CB 3.23Å; Q221-S225 WeakPolarHBondContact O-CB 3.43Å; Q221-S225 PolarHBondContact O-N 3.05Å
222K91.4Very high90.1Very high54 Ų5454.2 Ų54.224%0.23529%0.289CS..Hα-helixtrans-65.7-48175.5-74.4-175.6177.3-164.20112.6E137 F139 I159 A218 I219 Y220 H224 S225 A226E137-K222 IonicContact OE1-NZ 3.26Å; E137-K222 PolarHBondContact OE1-NZ 2.82Å; E137-K222 IonicContact OE2-NZ 3.04Å; E137-K222 PolarHBondContact OE2-NZ 2.91Å; F139-K222 HydrophobicContact CE2-CD 3.72Å; F139-K222 HydrophobicContact CZ-CD 3.78Å; I159-K222 HydrophobicContact CB-CB 4.32Å; I159-K222 HydrophobicContact CG2-CB 4.2Å; A218-K222 WeakPolarHBondContact O-CG 3.19Å; A218-K222 PolarHBondContact O-N 2.93Å; I219-K222 PolarHBondContact O-N 3.21Å; Y220-K222 VanDerWaalsContact C-N 3.28Å; Y220-K222 PolarHBondContact O-N 3.04Å; K222-H224 VanDerWaalsContact C-N 3.33Å; K222-H224 PolarHBondContact O-N 2.8Å; K222-S225 PolarHBondContact O-N 3.09Å; K222-A226 WeakPolarHBondContact O-CB 3.33Å; K222-A226 PolarHBondContact O-N 2.83Å
223V92.9Very high89.8Confident0 Ų056.1 Ų56.10%030%0.298CS..Hα-helixtrans-60.8-45.1177.2171.70000110.5I159 I164 L181 L184 Y187 F194 I219 Y220 A226 A227I159-V223 HydrophobicContact CG1-CG2 3.8Å; I159-V223 HydrophobicContact CG2-CG2 3.99Å; I164-V223 HydrophobicContact CD1-CG1 4.17Å; I164-V223 HydrophobicContact CD1-CG2 3.78Å; I164-V223 HydrophobicContact CG1-CG2 4.35Å; L181-V223 HydrophobicContact CD2-CG1 3.81Å; L184-V223 HydrophobicContact CD1-CG1 4.31Å; Y187-V223 HydrophobicContact CD1-CG1 4.08Å; Y187-V223 HydrophobicContact CD2-CG1 4.01Å; Y187-V223 HydrophobicContact CE1-CG1 4.33Å; Y187-V223 HydrophobicContact CE2-CG1 4.25Å; Y187-V223 HydrophobicContact CG-CG1 3.92Å; F194-V223 HydrophobicContact CE2-CG2 4.47Å; F194-V223 HydrophobicContact CZ-CB 4.43Å; F194-V223 HydrophobicContact CZ-CG2 3.87Å; I219-V223 HydrophobicContact CG2-CG2 4.28Å; I219-V223 WeakPolarHBondContact O-CG2 3.18Å; I219-V223 PolarHBondContact O-N 2.9Å; Y220-V223 PolarHBondContact O-N 3.48Å; V223-A226 PolarHBondContact O-N 2.99Å; V223-A227 VanDerWaalsContact O-CB 3.25Å; V223-A227 WeakPolarHBondContact O-CB 3.33Å; V223-A227 PolarHBondContact O-N 3.46Å
224H92.7Very high89.6Confident59 Ų5961.6 Ų61.627%0.27332%0.323SS..Hα-helixtrans-64-46.1-179.3-172.275.6000111.8Y187 Y220 K222 A227 L228Y187-H224 HydrophobicContact CE2-CB 3.86Å; Y187-H224 AromaticContact CE2-ND1 3.7Å; Y187-H224 AromaticContact CZ-ND1 3.8Å; Y187-H224 PolarHBondContact OH-ND1 3.12Å; Y220-H224 HydrophobicContact CD1-CB 4.47Å; Y220-H224 HydrophobicContact CE1-CB 4.15Å; Y220-H224 WeakPolarHBondContact O-CB 3.5Å; Y220-H224 PolarHBondContact O-N 2.96Å; K222-H224 VanDerWaalsContact C-N 3.33Å; K222-H224 PolarHBondContact O-N 2.8Å; H224-A227 PolarHBondContact O-N 3.41Å; H224-L228 WeakPolarHBondContact O-CG 3.39Å; H224-L228 PolarHBondContact O-N 3.06Å
225S91.3Very high89.6Confident80 Ų8060 Ų6056%0.55932%0.323SS*.Hα-helixtrans-59.7-47.2175.8179.30000112.2Q221 K222 L228 A229Q221-S225 VanDerWaalsContact O-CB 3.23Å; Q221-S225 WeakPolarHBondContact O-CB 3.43Å; Q221-S225 PolarHBondContact O-N 3.05Å; K222-S225 PolarHBondContact O-N 3.09Å; S225-L228 PolarHBondContact O-N 2.92Å; S225-A229 PolarHBondContact O-N 3.28Å
226A90.8Very high89.6Confident11 Ų1164.1 Ų64.19%0.09133%0.332CS..Hα-helixtrans-65.6-41.6178.900000112.1L181 K222 V223 L228 A229 I230L181-A226 HydrophobicContact CD1-CB 3.51Å; K222-A226 WeakPolarHBondContact O-CB 3.33Å; K222-A226 PolarHBondContact O-N 2.83Å; V223-A226 PolarHBondContact O-N 2.99Å; A226-L228 PolarHBondContact O-N 3.47Å; A226-A229 PolarHBondContact O-N 3.38Å; A226-I230 WeakPolarHBondContact O-CG1 3.34Å; A226-I230 PolarHBondContact O-N 2.98Å
227A90.7Very high89.4Confident21 Ų2169.2 Ų69.217%0.17436%0.359CS..Hα-helixtrans-62.3-41176.200000112.6Y187 V223 H224 I230 A231Y187-A227 HydrophobicContact CE1-CB 4.29Å; V223-A227 VanDerWaalsContact O-CB 3.25Å; V223-A227 WeakPolarHBondContact O-CB 3.33Å; V223-A227 PolarHBondContact O-N 3.46Å; H224-A227 PolarHBondContact O-N 3.41Å; A227-I230 PolarHBondContact O-N 3.01Å; A227-A231 PolarHBondContact O-N 3.17Å
228L90.4Very high89.1Confident86 Ų8670.5 Ų70.545%0.4537%0.367SS..Hα-helixtrans-62.9-43.7174.7-73.9176000111.8H224 S225 A226 I230 A231 E232H224-L228 WeakPolarHBondContact O-CG 3.39Å; H224-L228 PolarHBondContact O-N 3.06Å; S225-L228 PolarHBondContact O-N 2.92Å; A226-L228 PolarHBondContact O-N 3.47Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 3.5Å; L228-A231 PolarHBondContact O-N 3.03Å; L228-E232 PolarHBondContact O-N 3.34Å
229A90.2Very high88.8Confident50 Ų5073.9 Ų73.941%0.41338%0.376SS..Hα-helixtrans-60.3-41177.400000112.2S225 A226 Q233S225-A229 PolarHBondContact O-N 3.28Å; A226-A229 PolarHBondContact O-N 3.38Å; A229-Q233 WeakPolarHBondContact O-CG 3.39Å; A229-Q233 PolarHBondContact O-N 3.11Å; A229-Q233 VanDerWaalsContact O-N 3.11Å
230I89.3Confident88.2Confident35 Ų3577.1 Ų77.118%0.17940%0.399CS..Hα-helixtrans-63.7-43.9175.2-65.9165.5000110.9Y161 L181 A226 A227 L228 Q233 H234Y161-I230 WeakPolarHBondContact O-CD1 3.23Å; L181-I230 HydrophobicContact CB-CD1 3.47Å; L181-I230 VanDerWaalsContact CB-CD1 3.47Å; L181-I230 HydrophobicContact CD1-CD1 4.01Å; L181-I230 HydrophobicContact CG-CD1 4.4Å; A226-I230 WeakPolarHBondContact O-CG1 3.34Å; A226-I230 PolarHBondContact O-N 2.98Å; A227-I230 PolarHBondContact O-N 3.01Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 3.5Å; I230-Q233 PolarHBondContact O-N 3.27Å; I230-H234 PolarHBondContact O-N 3.4Å
231A87.3Confident87.8Confident56 Ų5677.7 Ų77.746%0.46341%0.408SS..Hα-helixtrans-62.1-44.7179.500000112A227 L228 Q233 H234 E235A227-A231 PolarHBondContact O-N 3.17Å; L228-A231 PolarHBondContact O-N 3.03Å; A231-Q233 PolarHBondContact O-N 3.47Å; A231-H234 PolarHBondContact O-N 3.39Å; A231-E235 PolarHBondContact O-N 3.25Å
232E89.1Confident87.2Confident101 Ų10179.7 Ų79.747%0.47242%0.415SS..Hα-helixtrans-61.8-41.8176.2-74.2-173.4-16100112.5L228 H234 E235 R236L228-E232 PolarHBondContact O-N 3.34Å; E232-H234 VanDerWaalsContact C-N 3.32Å; E232-H234 PolarHBondContact O-N 2.97Å; E232-E235 PolarHBondContact O-N 3.34Å; E232-R236 WeakPolarHBondContact O-CG 3.47Å; E232-R236 PolarHBondContact O-N 2.91Å; E232-R236 IonicContact OE2-NH2 2.76Å; E232-R236 PolarHBondContact OE2-NH2 3.35Å
233Q85.1Confident86.7Confident134 Ų13481.5 Ų81.563%0.62643%0.427SS*.Hα-helixtrans-63.2-41177.1-76.4-176.3-22.900111.7A229 I230 A231 R236 L237A229-Q233 WeakPolarHBondContact O-CG 3.39Å; A229-Q233 PolarHBondContact O-N 3.11Å; A229-Q233 VanDerWaalsContact O-N 3.11Å; I230-Q233 PolarHBondContact O-N 3.27Å; A231-Q233 PolarHBondContact O-N 3.47Å; Q233-R236 PolarHBondContact O-N 3.37Å; Q233-L237 WeakPolarHBondContact O-CB 3.37Å; Q233-L237 PolarHBondContact O-N 3.06Å
234H84.6Confident86.2Confident116 Ų11684.3 Ų84.354%0.53745%0.447SS..Hα-helixtrans-63-42.8176.9-169.569.6000111.9I230 A231 E232 L237 L238I230-H234 PolarHBondContact O-N 3.4Å; A231-H234 PolarHBondContact O-N 3.39Å; E232-H234 VanDerWaalsContact C-N 3.32Å; E232-H234 PolarHBondContact O-N 2.97Å; H234-L237 PolarHBondContact O-N 2.91Å; H234-L238 WeakPolarHBondContact O-CG 3.46Å; H234-L238 PolarHBondContact O-N 3.03Å
235E85.1Confident85.4Confident125 Ų12586.6 Ų86.658%0.58446%0.459SS*.Hα-helixtrans-64.5-44.5177.7-170.6173.8-162.900112.3A231 E232 L237 L238 Q239A231-E235 PolarHBondContact O-N 3.25Å; E232-E235 PolarHBondContact O-N 3.34Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 3.24Å; E235-L238 PolarHBondContact O-N 3.07Å; E235-Q239 WeakPolarHBondContact O-CB 3.32Å; E235-Q239 PolarHBondContact O-N 2.97Å
236R86.3Confident84.7Confident166 Ų16687.1 Ų87.163%0.62646%0.455SS*.Hα-helixtrans-59.7-40.9175.9-71176.8-165.2174.310.8112E232 Q233 Q239 S240E232-R236 WeakPolarHBondContact O-CG 3.47Å; E232-R236 PolarHBondContact O-N 2.91Å; E232-R236 IonicContact OE2-NH2 2.76Å; E232-R236 PolarHBondContact OE2-NH2 3.35Å; Q233-R236 PolarHBondContact O-N 3.37Å; R236-Q239 PolarHBondContact O-N 2.91Å; R236-S240 WeakPolarHBondContact O-CB 3.47Å; R236-S240 PolarHBondContact O-N 3.47Å
237L85.1Confident83.8Confident106 Ų10693.5 Ų93.556%0.55548%0.483SS*.Hα-helixtrans-65.6-45.8177.1-173.4126.9000111.3Q233 H234 E235 Q239 S240 V241Q233-L237 WeakPolarHBondContact O-CB 3.37Å; Q233-L237 PolarHBondContact O-N 3.06Å; H234-L237 PolarHBondContact O-N 2.91Å; E235-L237 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 3.24Å; L237-Q239 VanDerWaalsContact C-N 3.27Å; L237-Q239 PolarHBondContact O-N 3.46Å; L237-S240 PolarHBondContact O-N 3.03Å; L237-V241 HydrophobicContact CD2-CG2 4.46Å; L237-V241 VanDerWaalsContact O-CG2 3.32Å; L237-V241 WeakPolarHBondContact O-CG2 3.49Å; L237-V241 PolarHBondContact O-N 3.38Å
238L83.1Confident82.9Confident93 Ų9398.3 Ų98.349%0.48750%0.503SS..Hα-helixtrans-59.1-39.3175.1-72.9174.5000112H234 E235 V241 K242H234-L238 WeakPolarHBondContact O-CG 3.46Å; H234-L238 PolarHBondContact O-N 3.03Å; E235-L238 PolarHBondContact O-N 3.07Å; L238-V241 PolarHBondContact O-N 3.43Å; L238-K242 VanDerWaalsContact O-CB 3.31Å; L238-K242 WeakPolarHBondContact O-CB 3.47Å; L238-K242 PolarHBondContact O-N 3.35Å
239Q83Confident81.9Confident113 Ų113100.2 Ų100.253%0.52851%0.508SS..Hα-helixtrans-70.3-38.8178.8-161.813915.500112.4E235 R236 L237 K242 N243E235-Q239 WeakPolarHBondContact O-CB 3.32Å; E235-Q239 PolarHBondContact O-N 2.97Å; R236-Q239 PolarHBondContact O-N 2.91Å; L237-Q239 VanDerWaalsContact C-N 3.27Å; L237-Q239 PolarHBondContact O-N 3.46Å; Q239-K242 PolarHBondContact O-N 2.92Å; Q239-N243 WeakPolarHBondContact O-CB 3.35Å; Q239-N243 PolarHBondContact O-N 3.42Å; Q239-N243 PolarHBondContact O-ND2 3.2Å
240S80.7Confident80.7Confident69 Ų69104 Ų10448%0.48352%0.519SS..Hα-helixtrans-60.7-49.2171.6178.70000111.4R236 L237 K242 N243 S244R236-S240 WeakPolarHBondContact O-CB 3.47Å; R236-S240 PolarHBondContact O-N 3.47Å; L237-S240 PolarHBondContact O-N 3.03Å; S240-K242 VanDerWaalsContact C-N 3.32Å; S240-K242 PolarHBondContact O-N 2.85Å; S240-N243 PolarHBondContact O-N 3.12Å; S240-N243 VanDerWaalsContact O-N 3.12Å; S240-S244 PolarHBondContact O-N 3.38Å; S240-S244 PolarHBondContact O-OG 3.38Å
241V83Confident79.7Confident67 Ų67105.9 Ų105.941%0.40654%0.535SS..Hα-helixtrans-61-41.2178.11720000111.3L237 L238 S244 M245L237-V241 HydrophobicContact CD2-CG2 4.46Å; L237-V241 VanDerWaalsContact O-CG2 3.32Å; L237-V241 WeakPolarHBondContact O-CG2 3.49Å; L237-V241 PolarHBondContact O-N 3.38Å; L238-V241 PolarHBondContact O-N 3.43Å; V241-S244 PolarHBondContact O-N 2.9Å; V241-M245 HydrophobicContact CG1-CE 3.91Å; V241-M245 WeakPolarHBondContact O-CB 3.4Å; V241-M245 WeakPolarHBondContact O-CG 3.45Å; V241-M245 PolarHBondContact O-N 2.93Å
242K78.9Confident78.5Confident131 Ų131109.4 Ų109.457%0.5754%0.542SS*.Hα-helixtrans-62-44174.5-172.7177-179.4179.80111.8L238 Q239 S240 M245 L246L238-K242 VanDerWaalsContact O-CB 3.31Å; L238-K242 WeakPolarHBondContact O-CB 3.47Å; L238-K242 PolarHBondContact O-N 3.35Å; Q239-K242 PolarHBondContact O-N 2.92Å; S240-K242 VanDerWaalsContact C-N 3.32Å; S240-K242 PolarHBondContact O-N 2.85Å; K242-M245 PolarHBondContact O-N 3.03Å; K242-L246 HydrophobicContact CG-CD1 4.43Å; K242-L246 VanDerWaalsContact O-CG 3.31Å; K242-L246 WeakPolarHBondContact O-CG 3.34Å; K242-L246 PolarHBondContact O-N 3.39Å
243N80.2Confident77.1Confident93 Ų93112.7 Ų112.750%0.49755%0.55SS..Hα-helixtrans-65.4-42.4177.8-70.8-16.2000111.8Q239 S240 L246 Q247Q239-N243 WeakPolarHBondContact O-CB 3.35Å; Q239-N243 PolarHBondContact O-N 3.42Å; Q239-N243 PolarHBondContact O-ND2 3.2Å; S240-N243 PolarHBondContact O-N 3.12Å; S240-N243 VanDerWaalsContact O-N 3.12Å; N243-L246 PolarHBondContact O-N 2.91Å; N243-Q247 WeakPolarHBondContact O-CB 3.31Å; N243-Q247 PolarHBondContact O-N 2.93Å
244S82.8Confident75.8Confident58 Ų58109.1 Ų109.141%0.40654%0.543SS..Hα-helixtrans-62.7-43.4174.5-62.70000112.2S240 V241 L246 Q247 M248S240-S244 PolarHBondContact O-N 3.38Å; S240-S244 PolarHBondContact O-OG 3.38Å; V241-S244 PolarHBondContact O-N 2.9Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 3.24Å; S244-Q247 PolarHBondContact O-N 3.45Å; S244-M248 WeakPolarHBondContact O-CG 3.48Å; S244-M248 PolarHBondContact O-N 3.29Å
245M75.9Confident74.6Confident107 Ų107106.1 Ų106.153%0.52754%0.539SS..Hα-helixtrans-63.3-37.9174.7-79.1-169.7-67.500112.7V241 K242 K249V241-M245 HydrophobicContact CG1-CE 3.91Å; V241-M245 WeakPolarHBondContact O-CB 3.4Å; V241-M245 WeakPolarHBondContact O-CG 3.45Å; V241-M245 PolarHBondContact O-N 2.93Å; K242-M245 PolarHBondContact O-N 3.03Å; M245-K249 WeakPolarHBondContact O-CB 3.49Å; M245-K249 WeakPolarHBondContact O-CG 3.31Å; M245-K249 PolarHBondContact O-N 2.98Å
246L76.2Confident73.3Confident92 Ų92104 Ų10448%0.48254%0.537SS..Hα-helixtrans-66-40.2174.5-73171.4000111.6K242 N243 S244 K249 M250K242-L246 HydrophobicContact CG-CD1 4.43Å; K242-L246 VanDerWaalsContact O-CG 3.31Å; K242-L246 WeakPolarHBondContact O-CG 3.34Å; K242-L246 PolarHBondContact O-N 3.39Å; N243-L246 PolarHBondContact O-N 2.91Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 3.24Å; L246-K249 PolarHBondContact O-N 3.43Å; L246-M250 VanDerWaalsContact O-CG 3.27Å; L246-M250 WeakPolarHBondContact O-CG 3.35Å; L246-M250 PolarHBondContact O-N 2.88Å
247Q73.6Confident71.8Confident144 Ų144102.6 Ų102.667%0.67354%0.542SS*.Hα-helixtrans-65.3-42.6176.7-167.2179.716.200111.7N243 S244 M250 S251N243-Q247 WeakPolarHBondContact O-CB 3.31Å; N243-Q247 PolarHBondContact O-N 2.93Å; S244-Q247 PolarHBondContact O-N 3.45Å; Q247-M250 PolarHBondContact O-N 2.85Å; Q247-S251 WeakPolarHBondContact O-CB 3.38Å; Q247-S251 PolarHBondContact O-N 2.84Å
248M70.4Confident70.3Confident123 Ų123102.4 Ų102.461%0.60655%0.549SS*.Hα-helixtrans-62.2-44.4174.3-66.2-132.478.600111.5S244 M250 S251 E252S244-M248 WeakPolarHBondContact O-CG 3.48Å; S244-M248 PolarHBondContact O-N 3.29Å; M248-M250 VanDerWaalsContact C-N 3.33Å; M248-M250 PolarHBondContact O-N 3.34Å; M248-S251 PolarHBondContact O-N 2.83Å; M248-S251 VanDerWaalsContact O-N 3.17Å; M248-E252 WeakPolarHBondContact O-CG 3.4Å; M248-E252 PolarHBondContact O-N 3.41Å
249K70.6Confident68.8Low125 Ų125102.9 Ų102.954%0.54356%0.556SS.*Hα-helixtrans-62.1-36.6175.4-75.5177.2178.5-178.90113.3M245 L246 R253M245-K249 WeakPolarHBondContact O-CB 3.49Å; M245-K249 WeakPolarHBondContact O-CG 3.31Å; M245-K249 PolarHBondContact O-N 2.98Å; L246-K249 PolarHBondContact O-N 3.43Å; K249-R253 WeakPolarHBondContact O-CG 3.27Å; K249-R253 PolarHBondContact O-N 3.38Å; K249-R253 VanDerWaalsContact O-N 3.11Å
250M65.6Low67.2Low131 Ų131105.7 Ų105.765%0.64557%0.571SS**Hα-helixtrans-68-41.3174.1-73.9-86.4-171.300111.3L246 Q247 M248 R253 A254L246-M250 VanDerWaalsContact O-CG 3.27Å; L246-M250 WeakPolarHBondContact O-CG 3.35Å; L246-M250 PolarHBondContact O-N 2.88Å; Q247-M250 PolarHBondContact O-N 2.85Å; M248-M250 VanDerWaalsContact C-N 3.33Å; M248-M250 PolarHBondContact O-N 3.34Å; M250-R253 PolarHBondContact O-N 3.3Å; M250-A254 WeakPolarHBondContact O-CB 3.39Å; M250-A254 PolarHBondContact O-N 3.31Å
251S67.8Low66Low74 Ų74108 Ų10852%0.51758%0.582SS.*Hα-helixtrans-67.5-39.9177.8-175.80000112.4Q247 M248 A254 A255Q247-S251 WeakPolarHBondContact O-CB 3.38Å; Q247-S251 PolarHBondContact O-N 2.84Å; M248-S251 PolarHBondContact O-N 2.83Å; M248-S251 VanDerWaalsContact O-N 3.17Å; S251-A254 PolarHBondContact O-N 3.3Å; S251-A255 WeakPolarHBondContact O-CB 3.38Å; S251-A255 PolarHBondContact O-N 3.11Å
252E61Low64.7Low129 Ų129110.3 Ų110.360%0.60360%0.598SS**Hα-helixtrans-63.8-42.3172.9-76176.4169.600111.9M248 A255 S256M248-E252 WeakPolarHBondContact O-CG 3.4Å; M248-E252 PolarHBondContact O-N 3.41Å; E252-A255 PolarHBondContact O-N 3.17Å; E252-S256 WeakPolarHBondContact O-CB 3.42Å; E252-S256 PolarHBondContact O-N 2.9Å; E252-S256 PolarHBondContact O-OG 2.93Å
253R59.9Low63.3Low171 Ų171111.7 Ų111.765%0.64561%0.611SS**Hα-helixtrans-61.5-43.8173-78.2179.2-178.6167.4-0.2111.5K249 M250 S256 L257K249-R253 WeakPolarHBondContact O-CG 3.27Å; K249-R253 PolarHBondContact O-N 3.38Å; K249-R253 VanDerWaalsContact O-N 3.11Å; M250-R253 PolarHBondContact O-N 3.3Å; R253-S256 WeakPolarHBondContact CA-OG 3.43Å; R253-S256 PolarHBondContact O-N 3.5Å; R253-S256 PolarHBondContact O-OG 3.48Å; R253-L257 WeakPolarHBondContact O-CD1 3.45Å; R253-L257 WeakPolarHBondContact O-CG 3.46Å; R253-L257 PolarHBondContact O-N 3.37Å
254A58.6Low61.7Low59 Ų59112.9 Ų112.949%0.48862%0.624SS.*Hα-helixtrans-63.5-40.917600000112.5M250 S251 L257 S258M250-A254 WeakPolarHBondContact O-CB 3.39Å; M250-A254 PolarHBondContact O-N 3.31Å; S251-A254 PolarHBondContact O-N 3.3Å; A254-L257 PolarHBondContact O-N 3.2Å; A254-S258 WeakPolarHBondContact O-CB 3.45Å; A254-S258 PolarHBondContact O-N 2.94Å
255A58.7Low59.9Low53 Ų53121.9 Ų121.944%0.43865%0.649SS.*Hα-helixtrans-66.8-38.9175.800000112.4S251 E252 L257 S258 T259S251-A255 WeakPolarHBondContact O-CB 3.38Å; S251-A255 PolarHBondContact O-N 3.11Å; E252-A255 PolarHBondContact O-N 3.17Å; A255-L257 PolarHBondContact O-N 3.27Å; A255-S258 PolarHBondContact O-N 2.89Å; A255-T259 PolarHBondContact O-N 3.02Å; A255-T259 PolarHBondContact O-OG1 2.74Å
256S57.3Low58.3Low80 Ų80121.8 Ų121.856%0.55966%0.659SS**Hα-helixtrans-65.6-36.4175.470.40000112.7E252 R253 S258 T259E252-S256 WeakPolarHBondContact O-CB 3.42Å; E252-S256 PolarHBondContact O-N 2.9Å; E252-S256 PolarHBondContact O-OG 2.93Å; R253-S256 WeakPolarHBondContact CA-OG 3.43Å; R253-S256 PolarHBondContact O-N 3.5Å; R253-S256 PolarHBondContact O-OG 3.48Å; S256-S258 VanDerWaalsContact C-N 3.35Å; S256-T259 PolarHBondContact O-N 3.4Å
257L55.3Low56.9Low137 Ų137122.5 Ų122.572%0.71768%0.678SS**Hα-helixtrans-72.3-28.3173.2-76158.1000112.4R253 A254 A255 T259R253-L257 WeakPolarHBondContact O-CD1 3.45Å; R253-L257 WeakPolarHBondContact O-CG 3.46Å; R253-L257 PolarHBondContact O-N 3.37Å; A254-L257 PolarHBondContact O-N 3.2Å; A255-L257 PolarHBondContact O-N 3.27Å; L257-T259 VanDerWaalsContact C-N 3.3Å; L257-T259 PolarHBondContact O-N 2.97Å
258S54.6Low55.6Low101 Ų101123.8 Ų123.871%0.70668%0.678SS**THydrogen-bonded Turntrans-79.2-6.2176.9-173.40000114.2A254 A255 S256A254-S258 WeakPolarHBondContact O-CB 3.45Å; A254-S258 PolarHBondContact O-N 2.94Å; A255-S258 PolarHBondContact O-N 2.89Å; S256-S258 VanDerWaalsContact C-N 3.35Å
259T50.8Low54.1Low104 Ų104128.7 Ų128.764%0.63869%0.69SS**THydrogen-bonded Turntrans-91.76.8-178.7-50.60000113.2A255 S256 L257 V261A255-T259 PolarHBondContact O-N 3.02Å; A255-T259 PolarHBondContact O-OG1 2.74Å; S256-T259 PolarHBondContact O-N 3.4Å; L257-T259 VanDerWaalsContact C-N 3.3Å; L257-T259 PolarHBondContact O-N 2.97Å; T259-V261 PolarHBondContact O-N 3.23Å
260M48.6Very low52.8Low171 Ų171130.7 Ų130.784%0.84270%0.701SS**  trans-76.277.8168-68-146.5176.300110.8
261V56Low51.6Low118 Ų118132 Ų13272%0.71571%0.706SS**PPolyproline II helixtrans-60.8125.8163.6178.90000107.7T259 L263T259-V261 PolarHBondContact O-N 3.23Å; V261-L263 PolarHBondContact O-N 2.87Å
262P55.5Low50.4Low115 Ų115136.9 Ų136.975%0.74772%0.724SS**PPolyproline II helixtrans-61.5125.5172.3-14.427.1000108.7
263L50.5Low49.2Very low161 Ų161136.1 Ų136.184%0.84373%0.728SS**PPolyproline II helixtrans-51.4131.4173.7-77.8158.4000109.7V261 R265V261-L263 PolarHBondContact O-N 2.87Å; L263-R265 PolarHBondContact O-N 3.48Å; L263-R265 VanDerWaalsContact O-N 3.1Å
264P45.4Very low47.9Very low118 Ų118137.8 Ų137.877%0.76674%0.735SS**PPolyproline II helixtrans-63.2118.2173.323.6-29000108.3S266P264-S266 PolarHBondContact O-N 3.1Å
265R46.2Very low46.9Very low247 Ų247142.8 Ų142.893%0.93275%0.748SS**  trans-61.8107.9172.9-74.4-176.1175.2-139.7-0.2108.1L263 A267L263-R265 PolarHBondContact O-N 3.48Å; L263-R265 VanDerWaalsContact O-N 3.1Å; R265-A267 PolarHBondContact O-N 3.33Å
266S41.3Very low45.7Very low104 Ų104147.3 Ų147.373%0.72776%0.759SS**  trans-62.9116.1169-179.50000109.1P264 Y268P264-S266 PolarHBondContact O-N 3.1Å; S266-Y268 PolarHBondContact O-N 3.22Å
267A47.8Very low44.5Very low107 Ų107149.3 Ų149.388%0.88477%0.774SS**  trans-88.740.1173.900000111.6R265R265-A267 PolarHBondContact O-N 3.33Å
268Y46.1Very low43.6Very low171 Ų171149.6 Ų149.667%0.67178%0.781SS**  trans-134.392.8177.8-156.9-94.1000108.3S266S266-Y268 PolarHBondContact O-N 3.22Å
269W38.5Very low42.7Very low227 Ų227148.2 Ų148.286%0.8678%0.782SS**  trans167.785.7150.1-76.4122.8000107.3
270Q43.8Very low41.9Very low166 Ų166152.1 Ų152.178%0.77679%0.794SS**  trans-101148.8157.5-69.2-156.2-9.400108.4
271H40.9Very low41.3Very low160 Ų160151.4 Ų151.474%0.74179%0.793SS**  trans86.9102.4-178.9-50.6-78.8000115.4
272I41Very low40.1Very low175 Ų175156.3 Ų156.390%0.89780%0.8SS**  -143.5124.8102-82.9151.5000107.5
273T35.9Very low38.9Very low114 Ų114161.7 Ų161.770%0.69981%0.805SS**  trans-73146.2179.435.80000113.6
274R34.2Very low38Very low206 Ų206160.9 Ų160.978%0.77780%0.801SS**  trans60.7121.9150.5-75.2-176.1166.7-164-3.9118.1
275Q36.7Very low37.3Very low163 Ų163162.9 Ų162.976%0.76280%0.8SS**  -160.6149.898.7-86.9-51-35.300110.4
276H32.7Very low36.5Very low148 Ų148157.3 Ų157.369%0.68579%0.789SS**  trans-62149.7-176.2-74-111.5000113.8
277S33.9Very low36.2Very low123 Ų123158.4 Ų158.486%0.8679%0.791SS**  -173.8136.7114.5-79.70000112.8
278T35.1Very low35.3Very low143 Ų143157.9 Ų157.988%0.87779%0.786SS**  trans-71.9154.8-179.339.60000114.2
279G35.3Very low34.7Very low71 Ų71155.2 Ų155.273%0.73279%0.793SS**  trans152.973.7163.800000112.5
280Q34.4Very low35.5Very low186 Ų186149.5 Ų149.587%0.86979%0.785SS**  88.7118.684.8-160.1168.57.700112.9
281L36.4Very low34.9Very low157 Ų157148.6 Ų148.682%0.82279%0.785SS**  trans-56.8144.7176.2-73.9152000113.1
282Y31.1Very low34.5Very low220 Ų220149.4 Ų149.486%0.86379%0.786SS**  trans-142.1142.1140-94.4-80.9000111.7
283R30.5Very low34.3Very low228 Ų228148.3 Ų148.386%0.8678%0.781SS**  trans-124.3139-177.5178.7-162.9-148.3168.96.9106.4
284L31.3Very low34.2Very low144 Ų144151.5 Ų151.575%0.75479%0.788SS**  trans172.5117.3151-93.4144.4000107.1
285Q29.6Very low34.2Very low160 Ų160150.3 Ų150.375%0.74878%0.783SS**  52.7133.288-83.6176.2-22.100112.4
286D30.4Very low34.1Very low130 Ų130148.9 Ų148.970%0.69579%0.786SS**  cis-166.7154.327-121-10.3000111.2
287V34.1Very low34.2Very low127 Ų127148.2 Ų148.277%0.7778%0.783SS**  trans34.2124.1139.4-172.40000122.1
288A30Very low34.2Very low96 Ų96148.7 Ų148.779%0.79378%0.781SS**  164.7129.1115.900000113.7
289S32.8Very low34.4Very low116 Ų116151.2 Ų151.281%0.81178%0.78SS**  trans-81.4-166.6172.5-39.10000112
290P55.6Low34.9Very low107 Ų107153.9 Ų153.970%0.69578%0.784SS**  cis-129.8-178.5-44.226.1-4.1000112.2
291L30.9Very low35.2Very low146 Ų146149.2 Ų149.276%0.76478%0.778SS**  trans142.2122.9134.3-73.7159.5000116.5
292K33.6Very low35.3Very low177 Ų177152 Ų15277%0.7778%0.779SS**  trans62.6115.3134.6-70-173.2177.6-177.90122.9
293L36.4Very low35.5Very low152 Ų152153.3 Ų153.380%0.79678%0.782SS**  40.4126.5119.3-79.1150.9000119.9
294H32.3Very low35.9Very low181 Ų181146.7 Ų146.784%0.83877%0.771SS**  -157.3140.6118-133.8-90.5000114.6
295R34.8Very low36.3Very low182 Ų182147.5 Ų147.569%0.68777%0.771SS**  trans-90.8144.5168.8166.4-172.8-179.2164.70.9108.3E297R295-E297 IonicContact CZ-OE1 3.8Å; R295-E297 IonicContact NE-OE1 3.85Å; R295-E297 IonicContact NH2-OE1 2.88Å; R295-E297 PolarHBondContact NH2-OE1 3Å
296T34.8Very low36.9Very low132 Ų132151.9 Ų151.981%0.8179%0.791SS**  trans-157.7127.81501.60000112.8
297E35.6Very low37.2Very low134 Ų134153 Ų15363%0.62680%0.796SS**  trans-67.6161.5159-69155.1-17600109.9R295R295-E297 IonicContact CZ-OE1 3.8Å; R295-E297 IonicContact NE-OE1 3.85Å; R295-E297 IonicContact NH2-OE1 2.88Å; R295-E297 PolarHBondContact NH2-OE1 3Å
298T33.3Very low37.3Very low134 Ų134154.4 Ų154.482%0.82280%0.797SS**  158.8131.9113.5-42.10000110.2
299F38.9Very low37.7Very low195 Ų195157.6 Ų157.686%0.85580%0.797SS**  trans-63.5165168.1-80.4-94.2000112.5
300P45.8Very low38Very low127 Ų127160.1 Ų160.183%0.82580%0.796SS**  -140.7166.3109.734.8-19.5000115.1
301A40.7Very low36.9Very low88 Ų88163.4 Ų163.473%0.72780%0.803SS**  trans-93.9171.6-172.400000114.7
302Y38.2Very low37.4Very low215 Ų215164.5 Ų164.584%0.84381%0.805SS**  trans84.9121.8158-94.4-88.4000121
303R35.3Very low37.6Very low249 Ų249163.6 Ų163.694%0.9481%0.808SS**  -157.9154.1111-115-172.4-177.4-150.50.2113.4
304S39.7Very low37.7Very low88 Ų88164.5 Ų164.562%0.61581%0.809SS**  trans-102.4172.8-170.9-1780000112.1
305E38.7Very low38.2Very low162 Ų162163.2 Ų163.276%0.75781%0.806SS**  trans85.6129.3163.3-52.8-178.2164.300114.6
306H42.3Very low38.5Very low252 Ų252161.5 Ų161.5100%1.16782%0.817SS**  cis-134.3021.5-93.1-91.4000112.9

Retrieved 306 of 306 residues in 239.1 ms (Link to these results)

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