A0A096M6B4_POEFO Loading...

Docking protein 4

AlphaFold DB , UniProt , Accession A0A096M6B4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 304 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
1M31.4Very low61.3Low243 Ų24387.8 Ų87.8100%1.19749%0.493SS*.  0122.70-66.3-169.6-139.600107.8S3M1-S3 PolarHBondContact O-N 3.14Å
2A26.9Very low63.9Low99 Ų9981.2 Ų81.282%0.81846%0.459SS*.  trans-62.9116.4-17400000110.9N4A2-N4 PolarHBondContact O-N 3.47Å
3S34.1Very low66.1Low75 Ų7579.2 Ų79.252%0.52444%0.44SS..  trans-59.3114.3176.727.60000110M1 F5M1-S3 PolarHBondContact O-N 3.14Å; S3-F5 WeakPolarHBondContact O-CD2 3.33Å; S3-F5 PolarHBondContact O-N 3.36Å; S3-F5 WeakPolarHBondContact OG-CE2 3.47Å; S3-F5 WeakPolarHBondContact OG-CZ 3.48Å
4N37.1Very low68.1Low128 Ų12873.6 Ų73.668%0.68441%0.409SS*.  trans-72.672.8171-93.9-53.6000109.6A2 S6A2-N4 PolarHBondContact O-N 3.47Å; N4-S6 PolarHBondContact O-N 3.35Å
5F45.3Very low69.7Low119 Ų11977.2 Ų77.252%0.52241%0.414SS..  trans-62.9119.4166-59.8-72.9000108S3 D7 K37S3-F5 WeakPolarHBondContact O-CD2 3.33Å; S3-F5 PolarHBondContact O-N 3.36Å; S3-F5 WeakPolarHBondContact OG-CE2 3.47Å; S3-F5 WeakPolarHBondContact OG-CZ 3.48Å; F5-D7 PolarHBondContact O-N 3.46Å; F5-K37 PolarHBondContact O-NZ 3.43Å
6S66.8Low71.1Confident79 Ų7974 Ų7455%0.55240%0.396SS*.  trans-73.8107.6170.5174.10000107.5N4 I8N4-S6 PolarHBondContact O-N 3.35Å; S6-I8 PolarHBondContact O-N 3.23Å; S6-I8 PolarHBondContact OG-N 3.42Å
7D81.4Confident72Confident1 Ų178.9 Ų78.91%0.00541%0.408CS..  trans-8011.317358.7-26.9000112.4F5 R32 K33 S35 R41F5-D7 PolarHBondContact O-N 3.46Å; D7-R32 CarbonylContact O-C 3.55Å; D7-R32 WeakPolarHBondContact O-CA 3.34Å; D7-R32 WeakPolarHBondContact O-CB 3.44Å; D7-R32 IonicContact OD1-CZ 3.68Å; D7-R32 IonicContact OD1-NE 3.38Å; D7-R32 IonicContact OD1-NH1 2.76Å; D7-R32 PolarHBondContact OD1-NH1 3.46Å; D7-R32 WeakPolarHBondContact OD2-CD 3.46Å; D7-K33 HydrophobicContact CB-CG 4.34Å; D7-K33 PolarHBondContact O-N 2.82Å; D7-S35 VanDerWaalsContact CB-CB 3.5Å; D7-S35 WeakPolarHBondContact CB-OG 3.48Å; D7-S35 PolarHBondContact OD2-OG 3.32Å; D7-R41 IonicContact OD2-CZ 2.74Å; D7-R41 IonicContact OD2-NH1 3.48Å; D7-R41 PolarHBondContact OD2-NH1 3.28Å; D7-R41 IonicContact OD2-NH2 2.6Å; D7-R41 PolarHBondContact OD2-NH2 3.24Å; D7-R41 VanDerWaalsContact OD2-NH2 3.16Å
8I85.7Confident72.5Confident53 Ų5376.1 Ų76.127%0.27240%0.396SS..EExtended strand (participates in β ladder)trans-78.5121.5179.9-55.3177.1000109.8S6 Q11 V30 R32S6-I8 PolarHBondContact O-N 3.23Å; S6-I8 PolarHBondContact OG-N 3.42Å; I8-Q11 HydrophobicContact CG2-CB 4.36Å; I8-Q11 HydrophobicContact CG2-CG 4.35Å; I8-V30 HydrophobicContact CB-CG1 4.48Å; I8-V30 HydrophobicContact CD1-CG1 4.21Å; I8-V30 HydrophobicContact CG1-CG1 3.99Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; I8-R32 HydrophobicContact CG1-CG 4.35Å
9V85.2Confident72.7Confident47 Ų4781.8 Ų81.829%0.28541%0.412SS..EExtended strand (participates in β ladder)trans-91.5-46.8174.3176.90000110.4F31 K33 M106 E110V9-F31 HydrophobicContact CB-CD1 3.65Å; V9-F31 HydrophobicContact CB-CE1 4.03Å; V9-F31 HydrophobicContact CB-CG 4.39Å; V9-F31 HydrophobicContact CG1-CD1 3.73Å; V9-F31 HydrophobicContact CG1-CE1 3.85Å; V9-F31 HydrophobicContact CG2-CD1 4.34Å; V9-F31 HydrophobicContact CG2-CE1 4.33Å; V9-F31 PolarHBondContact N-O 3.37Å; V9-K33 HydrophobicContact CG2-CB 3.67Å; V9-K33 HydrophobicContact CG2-CD 4.3Å; V9-K33 HydrophobicContact CG2-CG 4.01Å; V9-M106 HydrophobicContact CG1-CB 4.37Å; V9-E110 HydrophobicContact CG2-CG 4.35Å
10K89.1Confident73Confident31 Ų3187.8 Ų87.814%0.13544%0.435CS..EExtended strand (participates in β ladder)trans-151.9147.1178-174.1168.4172.564.70110.6F31 D102 W103 M106K10-F31 PolarHBondContact N-O 3.24Å; K10-F31 PolarHBondContact O-N 2.95Å; K10-D102 VanDerWaalsContact CE-OD2 3.31Å; K10-D102 WeakPolarHBondContact CE-OD2 3.32Å; K10-D102 IonicContact NZ-OD2 3.69Å; K10-D102 PolarHBondContact NZ-OD2 3.29Å; K10-W103 HydrophobicContact CB-CE3 4.48Å; K10-W103 HydrophobicContact CB-CH2 4.31Å; K10-W103 HydrophobicContact CB-CZ3 4.11Å; K10-W103 HydrophobicContact CD-CD2 3.66Å; K10-W103 HydrophobicContact CD-CE3 3.77Å; K10-W103 HydrophobicContact CD-CG 4.05Å; K10-W103 HydrophobicContact CD-CH2 4.45Å; K10-W103 HydrophobicContact CD-CZ2 4.36Å; K10-W103 HydrophobicContact CD-CZ3 4.17Å; K10-W103 VanDerWaalsContact CE-CD1 3.41Å; K10-W103 VanDerWaalsContact CE-CE2 3.43Å; K10-W103 HydrophobicContact CG-CD2 4.23Å; K10-W103 HydrophobicContact CG-CE3 4.14Å; K10-W103 HydrophobicContact CG-CH2 3.97Å; K10-W103 HydrophobicContact CG-CZ2 4.06Å; K10-W103 HydrophobicContact CG-CZ3 4.01Å; K10-M106 HydrophobicContact CB-CB 4.46Å; K10-M106 HydrophobicContact CB-CG 4.48Å; K10-M106 HydrophobicContact CD-CB 4.17Å; K10-M106 HydrophobicContact CD-CG 3.9Å
11Q91.7Very high73.2Confident91 Ų9188 Ų8843%0.42544%0.438SS..EExtended strand (participates in β ladder)trans-143.9153.9171.759.8-177.8-1.100111.2I8 W28 L29 V30I8-Q11 HydrophobicContact CG2-CB 4.36Å; I8-Q11 HydrophobicContact CG2-CG 4.35Å; Q11-W28 HydrophobicContact CB-CZ2 3.92Å; Q11-W28 HydrophobicContact CG-CZ2 3.69Å; Q11-L29 CarbonylContact C-O 3.49Å; Q11-L29 WeakPolarHBondContact CA-O 3.39Å; Q11-V30 HydrophobicContact CB-CB 4.37Å; Q11-V30 HydrophobicContact CB-CG1 4.32Å; Q11-V30 HydrophobicContact CB-CG2 4Å
12G91.9Very high75.5Confident8 Ų878 Ų788%0.08240%0.396CS..EExtended strand (participates in β ladder)trans169173.5179.400000114.1L29G12-L29 PolarHBondContact N-O 3.43Å; G12-L29 PolarHBondContact O-N 2.78Å
13Y93.3Very high78.3Confident56 Ų5678.1 Ų78.122%0.2238%0.382CS..EExtended strand (participates in β ladder)trans-77.7127.4175.2-76.9-73000111.1R26 C27 W28 E48Y13-R26 HydrophobicContact CD1-CG 3.88Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; Y13-C27 WeakPolarHBondContact CA-O 3.34Å; Y13-W28 HydrophobicContact CD1-CE3 4.07Å; Y13-W28 AromaticContact CD2-CE3 3.62Å; Y13-W28 HydrophobicContact CD2-CE3 3.62Å; Y13-W28 AromaticContact CD2-CZ3 3.55Å; Y13-W28 HydrophobicContact CD2-CZ3 3.55Å; Y13-W28 HydrophobicContact CE1-CE3 4.04Å; Y13-W28 AromaticContact CE2-CE3 3.56Å; Y13-W28 HydrophobicContact CE2-CE3 3.56Å; Y13-W28 AromaticContact CE2-CZ3 3.51Å; Y13-W28 HydrophobicContact CE2-CZ3 3.51Å; Y13-W28 AromaticContact CG-CE3 3.87Å; Y13-W28 HydrophobicContact CG-CE3 3.87Å; Y13-W28 HydrophobicContact CG-CZ3 4.21Å; Y13-W28 AromaticContact CZ-CE3 3.77Å; Y13-E48 WeakPolarHBondContact OH-CB 3.35Å; Y13-E48 PolarHBondContact OH-N 3.26Å
14V94Very high80.7Confident1 Ų178 Ų781%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-134.8165.9173.2-57.80000109.7M16 R26 C27 L29 F92 W103V14-M16 HydrophobicContact CG2-CG 4.09Å; V14-R26 CarbonylContact O-C 3.57Å; V14-R26 WeakPolarHBondContact O-CA 3.48Å; V14-C27 PolarHBondContact N-O 2.87Å; V14-C27 PolarHBondContact O-N 2.91Å; V14-C27 PolarHBondContact O-SG 3.25Å; V14-L29 HydrophobicContact CG1-CB 4.48Å; V14-L29 HydrophobicContact CG1-CD2 4.48Å; V14-L29 HydrophobicContact CG2-CB 3.66Å; V14-L29 HydrophobicContact CG2-CD2 3.93Å; V14-L29 HydrophobicContact CG2-CG 4.36Å; V14-F92 HydrophobicContact CB-CB 4.23Å; V14-F92 HydrophobicContact CB-CD2 3.99Å; V14-F92 HydrophobicContact CB-CG 4.43Å; V14-F92 HydrophobicContact CG1-CD2 3.74Å; V14-F92 HydrophobicContact CG1-CE2 4.16Å; V14-F92 HydrophobicContact CG2-CB 4.12Å; V14-F92 HydrophobicContact CG2-CD2 4.44Å; V14-F92 HydrophobicContact CG2-CG 4.46Å; V14-W103 HydrophobicContact CG1-CZ2 4.1Å
15R92Very high83.2Confident127 Ų12778.6 Ų78.648%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-107.9131.3169.9-47.9176.195.9123.2-2.7110.4Y24 R25 F92 T93R15-Y24 HydrophobicContact CB-CD1 4.32Å; R15-R25 VanDerWaalsContact CA-O 3.31Å; R15-R25 WeakPolarHBondContact CA-O 3.45Å; R15-F92 WeakPolarHBondContact O-CA 3.35Å; R15-T93 WeakPolarHBondContact CB-OG1 3.33Å; R15-T93 PolarHBondContact N-O 2.75Å; R15-T93 PolarHBondContact O-N 3.3Å
16M91.1Very high85.5Confident26 Ų2679 Ų7913%0.12836%0.361CS..EExtended strand (participates in β ladder)trans-127.6144.3177.7-61.5-175.19100110.6V14 S18 R25 L29 K44 F92V14-M16 HydrophobicContact CG2-CG 4.09Å; M16-S18 PolarHBondContact O-N 3.23Å; M16-R25 PolarHBondContact N-O 3.46Å; M16-R25 PolarHBondContact O-N 3.27Å; M16-L29 HydrophobicContact SD-CD1 4.29Å; M16-K44 HydrophobicContact SD-CD 3.86Å; M16-F92 HydrophobicContact CE-CB 4.42Å; M16-F92 HydrophobicContact CG-CB 3.76Å
17R86.5Confident86.7Confident157 Ų15775.3 Ų75.359%0.59234%0.336SS*.EExtended strand (participates in β ladder)trans-71.3128175.8-162.7178.7-175.6-170.4-0.7110.5G22 Y24R17-G22 VanDerWaalsContact CG-O 3.29Å; R17-G22 WeakPolarHBondContact CG-O 3.37Å; R17-G22 PolarHBondContact NE-O 3.45Å; R17-Y24 HydrophobicContact CB-CD1 4.44Å; R17-Y24 HydrophobicContact CB-CD2 4.39Å; R17-Y24 HydrophobicContact CB-CE1 4.12Å; R17-Y24 HydrophobicContact CB-CE2 4.05Å; R17-Y24 HydrophobicContact CG-CD2 4.31Å; R17-Y24 HydrophobicContact CG-CE2 4.01Å
18S81.9Confident87.3Confident28 Ų2876.3 Ų76.320%0.19634%0.339CS..  trans-72.3130171.2179.60000110.3M16 K20 L21 G22 I23M16-S18 PolarHBondContact O-N 3.23Å; S18-K20 VanDerWaalsContact C-N 3.32Å; S18-K20 PolarHBondContact OG-N 2.97Å; S18-L21 PolarHBondContact OG-N 3.31Å; S18-G22 VanDerWaalsContact O-CA 3.27Å; S18-G22 WeakPolarHBondContact O-CA 3.42Å; S18-G22 PolarHBondContact O-N 3.39Å; S18-I23 PolarHBondContact N-O 3.48Å
19R76.8Confident87.7Confident185 Ų18573.9 Ų73.970%0.69833%0.327SS*.THydrogen-bonded Turntrans-67.9-32.9172.9-67.8-171.5-177.7178.6-2.1112.6R90R19-R90 VanDerWaalsContact NH2-NH1 3.17Å; R19-R90 VanDerWaalsContact NH2-NH2 3.14Å
20K77.8Confident88.1Confident201 Ų20171.7 Ų71.787%0.87431%0.314SS*.THydrogen-bonded Turntrans-78.2-36-177.7-67-173.5176.4-174.30112.8S18S18-K20 VanDerWaalsContact C-N 3.32Å; S18-K20 PolarHBondContact OG-N 2.97Å
21L77.5Confident88.2Confident94 Ų9470.2 Ų70.249%0.49231%0.307SS..THydrogen-bonded Turntrans-115.3-8.7-169.9-62.3174.6000113.6S18 I23 R25S18-L21 PolarHBondContact OG-N 3.31Å; L21-I23 HydrophobicContact CB-CD1 4.4Å; L21-I23 WeakPolarHBondContact O-CG1 3.46Å; L21-I23 PolarHBondContact O-N 3.25Å; L21-R25 VanDerWaalsContact CD1-NH2 3.27Å
22G80.3Confident88Confident32 Ų3267 Ų6733%0.3329%0.291SS..  trans68.7-10.7-176.900000115.7R17 S18R17-G22 VanDerWaalsContact CG-O 3.29Å; R17-G22 WeakPolarHBondContact CG-O 3.37Å; R17-G22 PolarHBondContact NE-O 3.45Å; S18-G22 VanDerWaalsContact O-CA 3.27Å; S18-G22 WeakPolarHBondContact O-CA 3.42Å; S18-G22 PolarHBondContact O-N 3.39Å
23I85.3Confident87.7Confident101 Ų10171.1 Ų71.152%0.51831%0.307SS..  trans-87.3145.5-175.3-61.2158.6000111.7S18 L21S18-I23 PolarHBondContact N-O 3.48Å; L21-I23 HydrophobicContact CB-CD1 4.4Å; L21-I23 WeakPolarHBondContact O-CG1 3.46Å; L21-I23 PolarHBondContact O-N 3.25Å
24Y85.1Confident86.9Confident73 Ų7372 Ų7229%0.28632%0.321SS..EExtended strand (participates in β ladder)trans-78123.5171.6-79.9-97.9000111.3R15 R17 K76 T93R15-Y24 HydrophobicContact CB-CD1 4.32Å; R17-Y24 HydrophobicContact CB-CD1 4.44Å; R17-Y24 HydrophobicContact CB-CD2 4.39Å; R17-Y24 HydrophobicContact CB-CE1 4.12Å; R17-Y24 HydrophobicContact CB-CE2 4.05Å; R17-Y24 HydrophobicContact CG-CD2 4.31Å; R17-Y24 HydrophobicContact CG-CE2 4.01Å; Y24-K76 WeakPolarHBondContact OH-CE 3.49Å; Y24-K76 PolarHBondContact OH-NZ 3.47Å; Y24-T93 HydrophobicContact CE1-CG2 4.21Å
25R89.3Confident86.1Confident141 Ų14173.8 Ų73.853%0.53233%0.334SS..EExtended strand (participates in β ladder)trans-120140.4176.8-68.4-170.7174.5-168.2-3.4110.6R15 M16 L21R15-R25 VanDerWaalsContact CA-O 3.31Å; R15-R25 WeakPolarHBondContact CA-O 3.45Å; M16-R25 PolarHBondContact N-O 3.46Å; M16-R25 PolarHBondContact O-N 3.27Å; L21-R25 VanDerWaalsContact CD1-NH2 3.27Å
26R93Very high85Confident126 Ų12673.3 Ų73.348%0.47535%0.35SS..EExtended strand (participates in β ladder)trans-65.9137.3168.8-165.1177.5-169.7-136.35.5108.5Y13 V14 E95Y13-R26 HydrophobicContact CD1-CG 3.88Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; V14-R26 CarbonylContact O-C 3.57Å; V14-R26 WeakPolarHBondContact O-CA 3.48Å; R26-E95 IonicContact CZ-OE1 3.35Å; R26-E95 IonicContact NE-OE1 3Å; R26-E95 PolarHBondContact NE-OE1 3.32Å; R26-E95 IonicContact NH2-OE1 2.86Å; R26-E95 PolarHBondContact NH2-OE1 2.85Å; R26-E95 IonicContact NH2-OE2 3.95Å
27C92.9Very high84.1Confident3 Ų375.8 Ų75.82%0.0236%0.36CS..EExtended strand (participates in β ladder)trans-153.4156.4178.754.40000110Y13 V14 K44 Y45Y13-C27 WeakPolarHBondContact CA-O 3.34Å; V14-C27 PolarHBondContact N-O 2.87Å; V14-C27 PolarHBondContact O-N 2.91Å; V14-C27 PolarHBondContact O-SG 3.25Å; C27-K44 HydrophobicContact CB-CD 4.44Å; C27-K44 HydrophobicContact CB-CG 4.12Å; C27-K44 WeakPolarHBondContact SG-CE 3.4Å; C27-Y45 VanDerWaalsContact CB-O 3.25Å; C27-Y45 WeakPolarHBondContact CB-O 3.33Å
28W93.7Very high83.5Confident21 Ų2169.5 Ų69.58%0.0834%0.344CS..EExtended strand (participates in β ladder)trans-87.1122.3172.2-173-97.5000109.7Q11 Y13 Y45 D47 E48 A51Q11-W28 HydrophobicContact CB-CZ2 3.92Å; Q11-W28 HydrophobicContact CG-CZ2 3.69Å; Y13-W28 HydrophobicContact CD1-CE3 4.07Å; Y13-W28 AromaticContact CD2-CE3 3.62Å; Y13-W28 HydrophobicContact CD2-CE3 3.62Å; Y13-W28 AromaticContact CD2-CZ3 3.55Å; Y13-W28 HydrophobicContact CD2-CZ3 3.55Å; Y13-W28 HydrophobicContact CE1-CE3 4.04Å; Y13-W28 AromaticContact CE2-CE3 3.56Å; Y13-W28 HydrophobicContact CE2-CE3 3.56Å; Y13-W28 AromaticContact CE2-CZ3 3.51Å; Y13-W28 HydrophobicContact CE2-CZ3 3.51Å; Y13-W28 AromaticContact CG-CE3 3.87Å; Y13-W28 HydrophobicContact CG-CE3 3.87Å; Y13-W28 HydrophobicContact CG-CZ3 4.21Å; Y13-W28 AromaticContact CZ-CE3 3.77Å; W28-Y45 PolarHBondContact N-O 3.36Å; W28-Y45 PolarHBondContact O-N 2.93Å; W28-D47 VanDerWaalsContact CB-C 3.48Å; W28-E48 HydrophobicContact CD2-CB 3.89Å; W28-E48 HydrophobicContact CD2-CG 4.21Å; W28-E48 HydrophobicContact CE3-CB 3.81Å; W28-E48 HydrophobicContact CE3-CG 4.24Å; W28-E48 HydrophobicContact CG-CB 4.39Å; W28-E48 HydrophobicContact CH2-CB 4.36Å; W28-E48 HydrophobicContact CH2-CG 3.9Å; W28-E48 HydrophobicContact CZ2-CB 4.46Å; W28-E48 HydrophobicContact CZ2-CG 3.88Å; W28-E48 HydrophobicContact CZ3-CB 4.05Å; W28-E48 HydrophobicContact CZ3-CG 4.09Å; W28-A51 HydrophobicContact CG-CB 4.3Å
29L94.4Very high83.4Confident2 Ų271.3 Ų71.31%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-110.3132.4-179.6-170.469.2000109Q11 G12 V14 M16 L42 K44 F92 W103Q11-L29 CarbonylContact C-O 3.49Å; Q11-L29 WeakPolarHBondContact CA-O 3.39Å; G12-L29 PolarHBondContact N-O 3.43Å; G12-L29 PolarHBondContact O-N 2.78Å; V14-L29 HydrophobicContact CG1-CB 4.48Å; V14-L29 HydrophobicContact CG1-CD2 4.48Å; V14-L29 HydrophobicContact CG2-CB 3.66Å; V14-L29 HydrophobicContact CG2-CD2 3.93Å; V14-L29 HydrophobicContact CG2-CG 4.36Å; M16-L29 HydrophobicContact SD-CD1 4.29Å; L29-L42 HydrophobicContact CD1-CB 4.08Å; L29-L42 HydrophobicContact CD1-CD2 4.09Å; L29-L42 HydrophobicContact CD1-CG 4.45Å; L29-L42 HydrophobicContact CD2-CD2 3.95Å; L29-L42 HydrophobicContact CG-CD2 3.92Å; L29-K44 HydrophobicContact CD1-CB 4.34Å; L29-F92 HydrophobicContact CD2-CD1 4.13Å; L29-F92 HydrophobicContact CD2-CE1 4.23Å; L29-F92 HydrophobicContact CD2-CG 4.33Å; L29-W103 HydrophobicContact CB-CH2 4.16Å; L29-W103 HydrophobicContact CB-CZ2 4.41Å; L29-W103 HydrophobicContact CD2-CH2 4.04Å; L29-W103 HydrophobicContact CD2-CZ3 4.15Å; L29-W103 HydrophobicContact CG-CH2 4.15Å
30V92.3Very high83.8Confident1 Ų165 Ų651%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-120.6120.2175.7-174.80000108.3I8 Q11 R32 L42 E43 Y45I8-V30 HydrophobicContact CB-CG1 4.48Å; I8-V30 HydrophobicContact CD1-CG1 4.21Å; I8-V30 HydrophobicContact CG1-CG1 3.99Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; Q11-V30 HydrophobicContact CB-CB 4.37Å; Q11-V30 HydrophobicContact CB-CG1 4.32Å; Q11-V30 HydrophobicContact CB-CG2 4Å; V30-R32 HydrophobicContact CG1-CG 4.02Å; V30-L42 CarbonylContact O-C 3.36Å; V30-L42 WeakPolarHBondContact O-CA 3.49Å; V30-E43 HydrophobicContact CB-CB 4.26Å; V30-E43 PolarHBondContact N-O 3.38Å; V30-E43 PolarHBondContact O-N 3.03Å; V30-Y45 HydrophobicContact CB-CE2 4.38Å; V30-Y45 HydrophobicContact CG2-CD2 4.01Å; V30-Y45 HydrophobicContact CG2-CE2 3.81Å
31F91.9Very high84.5Confident0 Ų056.7 Ų56.70%029%0.294CS..EExtended strand (participates in β ladder)trans-96.1121.9172.1177.7-136.3000109.9V9 K10 R40 L42 I62 W103 L107 E110V9-F31 HydrophobicContact CB-CD1 3.65Å; V9-F31 HydrophobicContact CB-CE1 4.03Å; V9-F31 HydrophobicContact CB-CG 4.39Å; V9-F31 HydrophobicContact CG1-CD1 3.73Å; V9-F31 HydrophobicContact CG1-CE1 3.85Å; V9-F31 HydrophobicContact CG2-CD1 4.34Å; V9-F31 HydrophobicContact CG2-CE1 4.33Å; V9-F31 PolarHBondContact N-O 3.37Å; K10-F31 PolarHBondContact N-O 3.24Å; K10-F31 PolarHBondContact O-N 2.95Å; F31-R40 HydrophobicContact CE2-CG 3.64Å; F31-R40 HydrophobicContact CZ-CG 4.13Å; F31-L42 HydrophobicContact CB-CD2 3.72Å; F31-L42 HydrophobicContact CD2-CD2 3.93Å; F31-L42 HydrophobicContact CG-CD2 4.19Å; F31-I62 HydrophobicContact CD2-CD1 3.83Å; F31-I62 HydrophobicContact CE2-CD1 3.6Å; F31-W103 HydrophobicContact CB-CZ3 3.96Å; F31-L107 HydrophobicContact CD1-CD2 3.96Å; F31-L107 HydrophobicContact CD2-CD2 4Å; F31-L107 HydrophobicContact CE1-CD2 3.9Å; F31-L107 HydrophobicContact CE2-CD2 3.95Å; F31-L107 HydrophobicContact CG-CD2 4.01Å; F31-L107 HydrophobicContact CZ-CD2 3.89Å; F31-E110 HydrophobicContact CE1-CB 3.6Å; F31-E110 HydrophobicContact CE1-CG 3.59Å; F31-E110 HydrophobicContact CE2-CG 4.45Å; F31-E110 HydrophobicContact CZ-CB 3.66Å; F31-E110 HydrophobicContact CZ-CG 3.35Å
32R88.1Confident85.2Confident24 Ų2452.5 Ų52.59%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-116.5138.5178.9-64.1-176.5-174.7-85.4-7.5111.4D7 I8 V30 R40 R41 E43D7-R32 CarbonylContact O-C 3.55Å; D7-R32 WeakPolarHBondContact O-CA 3.34Å; D7-R32 WeakPolarHBondContact O-CB 3.44Å; D7-R32 IonicContact OD1-CZ 3.68Å; D7-R32 IonicContact OD1-NE 3.38Å; D7-R32 IonicContact OD1-NH1 2.76Å; D7-R32 PolarHBondContact OD1-NH1 3.46Å; D7-R32 WeakPolarHBondContact OD2-CD 3.46Å; I8-R32 HydrophobicContact CG1-CG 4.35Å; V30-R32 HydrophobicContact CG1-CG 4.02Å; R32-R40 VanDerWaalsContact O-CA 3.29Å; R32-R40 WeakPolarHBondContact O-CA 3.5Å; R32-R40 VanDerWaalsContact O-CG 3.3Å; R32-R40 WeakPolarHBondContact O-CG 3.12Å; R32-R41 HydrophobicContact CB-CG 4.28Å; R32-R41 PolarHBondContact N-O 3.08Å; R32-R41 PolarHBondContact O-N 3.46Å; R32-E43 VanDerWaalsContact CD-OE1 3.3Å; R32-E43 WeakPolarHBondContact CD-OE1 3.39Å; R32-E43 IonicContact CZ-OE2 3.41Å; R32-E43 IonicContact NE-OE1 2.67Å; R32-E43 PolarHBondContact NE-OE1 2.98Å; R32-E43 IonicContact NE-OE2 3.62Å; R32-E43 PolarHBondContact NE-OE2 2.94Å; R32-E43 IonicContact NH2-OE2 3.18Å; R32-E43 PolarHBondContact NH2-OE2 2.96Å
33K84.2Confident85.8Confident95 Ų9551.5 Ų51.541%0.41326%0.259SS..  trans-76.2165.9169.861.8179.2-178.9178.90111D7 V9 S35 E110D7-K33 HydrophobicContact CB-CG 4.34Å; D7-K33 PolarHBondContact O-N 2.82Å; V9-K33 HydrophobicContact CG2-CB 3.67Å; V9-K33 HydrophobicContact CG2-CD 4.3Å; V9-K33 HydrophobicContact CG2-CG 4.01Å; K33-S35 PolarHBondContact O-N 3.44Å; K33-E110 HydrophobicContact CB-CG 4.45Å; K33-E110 VanDerWaalsContact CB-OE1 3.25Å; K33-E110 WeakPolarHBondContact CB-OE1 3.32Å
34S77.1Confident86.1Confident73 Ų7349.5 Ų49.551%0.5125%0.246SC..SBendtrans-60.3131.6171.9-62.50000109.9R40S34-R40 PolarHBondContact OG-N 3.46Å
35S77.2Confident86.4Confident40 Ų4046.4 Ų46.428%0.2823%0.234SC..BIsolated β-bridgetrans-151-178.7179.976.70000111D7 K33 K37 G38D7-S35 VanDerWaalsContact CB-CB 3.5Å; D7-S35 WeakPolarHBondContact CB-OG 3.48Å; D7-S35 PolarHBondContact OD2-OG 3.32Å; K33-S35 PolarHBondContact O-N 3.44Å; S35-K37 PolarHBondContact O-N 3.13Å; S35-K37 VanDerWaalsContact O-N 3.11Å; S35-K37 WeakPolarHBondContact OG-CB 3.35Å; S35-K37 PolarHBondContact OG-N 3.02Å; S35-G38 PolarHBondContact N-O 2.89Å; S35-G38 PolarHBondContact O-N 3.44Å; S35-G38 VanDerWaalsContact O-O 3.09Å
36S68.9Low86.4Confident116 Ų11644.1 Ų44.181%0.81124%0.238SC*.THydrogen-bonded Turntrans-61-14.9170.255.80000113.6G38S36-G38 VanDerWaalsContact C-N 3.34Å
37K71Confident86.2Confident79 Ų7941.2 Ų41.234%0.34323%0.231SC..THydrogen-bonded Turntrans-87.7-1.7176-62.7172.3177.8162.20113.2F5 S35F5-K37 PolarHBondContact O-NZ 3.43Å; S35-K37 PolarHBondContact O-N 3.13Å; S35-K37 VanDerWaalsContact O-N 3.11Å; S35-K37 WeakPolarHBondContact OG-CB 3.35Å; S35-K37 PolarHBondContact OG-N 3.02Å
38G74.3Confident86.1Confident25 Ų2545.7 Ų45.726%0.25825%0.252SS..BIsolated β-bridgetrans131.6-178.917600000113.9S35 S36S35-G38 PolarHBondContact N-O 2.89Å; S35-G38 PolarHBondContact O-N 3.44Å; S35-G38 VanDerWaalsContact O-O 3.09Å; S36-G38 VanDerWaalsContact C-N 3.34Å
39P80Confident85.7Confident65 Ų6552 Ų5242%0.42228%0.28SS..SBendtrans-66.5165.5-179.429.6-35.5000111.7R41 E61P39-R41 PolarHBondContact O-N 3.13Å; P39-R41 PolarHBondContact O-NH1 3.47Å; P39-E61 HydrophobicContact CB-CG 4.31Å; P39-E61 HydrophobicContact CG-CG 4.07Å
40R86.2Confident85.3Confident54 Ų5452.6 Ų52.620%0.20429%0.285CS..SBendtrans-53.8130.7170.9-175.1-177.3-65.3153.4-5.7110.6F31 R32 S34 I62 E110F31-R40 HydrophobicContact CE2-CG 3.64Å; F31-R40 HydrophobicContact CZ-CG 4.13Å; R32-R40 VanDerWaalsContact O-CA 3.29Å; R32-R40 WeakPolarHBondContact O-CA 3.5Å; R32-R40 VanDerWaalsContact O-CG 3.3Å; R32-R40 WeakPolarHBondContact O-CG 3.12Å; S34-R40 PolarHBondContact OG-N 3.46Å; R40-I62 HydrophobicContact CG-CB 4.18Å; R40-I62 PolarHBondContact O-N 3.49Å; R40-E110 IonicContact CZ-OE1 3.49Å; R40-E110 IonicContact NE-OE1 3.93Å; R40-E110 PolarHBondContact NE-OE1 3.41Å; R40-E110 PolarHBondContact NH1-O 3.36Å; R40-E110 PolarHBondContact NH2-O 2.87Å; R40-E110 IonicContact NH2-OE1 3.68Å; R40-E110 PolarHBondContact NH2-OE1 2.89Å
41R91.6Very high84.8Confident26 Ų2653.2 Ų53.210%0.09829%0.291CS..EExtended strand (participates in β ladder)trans-158.3155.6-170.664.3-166.1-176.9-80.1-1.2113.2D7 R32 P39 E43 V59 T60D7-R41 IonicContact OD2-CZ 2.74Å; D7-R41 IonicContact OD2-NH1 3.48Å; D7-R41 PolarHBondContact OD2-NH1 3.28Å; D7-R41 IonicContact OD2-NH2 2.6Å; D7-R41 PolarHBondContact OD2-NH2 3.24Å; D7-R41 VanDerWaalsContact OD2-NH2 3.16Å; R32-R41 HydrophobicContact CB-CG 4.28Å; R32-R41 PolarHBondContact N-O 3.08Å; R32-R41 PolarHBondContact O-N 3.46Å; P39-R41 PolarHBondContact O-N 3.13Å; P39-R41 PolarHBondContact O-NH1 3.47Å; R41-E43 HydrophobicContact CG-CG 4.3Å; R41-E43 IonicContact CZ-OE1 3.16Å; R41-E43 IonicContact NE-OE1 3.97Å; R41-E43 PolarHBondContact NE-OE1 3.48Å; R41-E43 IonicContact NH2-OE1 2.74Å; R41-E43 PolarHBondContact NH2-OE1 3.3Å; R41-V59 HydrophobicContact CB-CG1 3.89Å; R41-V59 HydrophobicContact CG-CG1 4.21Å; R41-T60 CarbonylContact C-O 3.6Å; R41-T60 WeakPolarHBondContact CA-O 3.27Å
42L92.4Very high84.2Confident5 Ų562.8 Ų62.83%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-99.1125.7163.2-71.8167.7000109.8L29 V30 F31 V59 T60 I62 I82L29-L42 HydrophobicContact CD1-CB 4.08Å; L29-L42 HydrophobicContact CD1-CD2 4.09Å; L29-L42 HydrophobicContact CD1-CG 4.45Å; L29-L42 HydrophobicContact CD2-CD2 3.95Å; L29-L42 HydrophobicContact CG-CD2 3.92Å; V30-L42 CarbonylContact O-C 3.36Å; V30-L42 WeakPolarHBondContact O-CA 3.49Å; F31-L42 HydrophobicContact CB-CD2 3.72Å; F31-L42 HydrophobicContact CD2-CD2 3.93Å; F31-L42 HydrophobicContact CG-CD2 4.19Å; L42-V59 CarbonylContact O-C 3.59Å; L42-V59 WeakPolarHBondContact O-CA 3.35Å; L42-T60 PolarHBondContact N-O 3.44Å; L42-T60 PolarHBondContact O-N 3.04Å; L42-I62 HydrophobicContact CB-CD1 4.42Å; L42-I62 HydrophobicContact CD1-CD1 3.69Å; L42-I62 HydrophobicContact CD1-CG1 4.33Å; L42-I62 HydrophobicContact CD2-CD1 4.14Å; L42-I62 HydrophobicContact CG-CD1 3.4Å; L42-I62 VanDerWaalsContact CG-CD1 3.4Å; L42-I62 HydrophobicContact CG-CG1 4.14Å; L42-I82 HydrophobicContact CD1-CD1 3.67Å
43E92.6Very high83.7Confident12 Ų1266.7 Ų66.76%0.05635%0.35CS..EExtended strand (participates in β ladder)trans-104.8120.1171.6-62.3173.617700108.3V30 R32 R41 Y45 P57 V59V30-E43 HydrophobicContact CB-CB 4.26Å; V30-E43 PolarHBondContact N-O 3.38Å; V30-E43 PolarHBondContact O-N 3.03Å; R32-E43 VanDerWaalsContact CD-OE1 3.3Å; R32-E43 WeakPolarHBondContact CD-OE1 3.39Å; R32-E43 IonicContact CZ-OE2 3.41Å; R32-E43 IonicContact NE-OE1 2.67Å; R32-E43 PolarHBondContact NE-OE1 2.98Å; R32-E43 IonicContact NE-OE2 3.62Å; R32-E43 PolarHBondContact NE-OE2 2.94Å; R32-E43 IonicContact NH2-OE2 3.18Å; R32-E43 PolarHBondContact NH2-OE2 2.96Å; R41-E43 HydrophobicContact CG-CG 4.3Å; R41-E43 IonicContact CZ-OE1 3.16Å; R41-E43 IonicContact NE-OE1 3.97Å; R41-E43 PolarHBondContact NE-OE1 3.48Å; R41-E43 IonicContact NH2-OE1 2.74Å; R41-E43 PolarHBondContact NH2-OE1 3.3Å; E43-Y45 HydrophobicContact CB-CD2 4.35Å; E43-Y45 HydrophobicContact CB-CE2 3.57Å; E43-Y45 PolarHBondContact OE2-OH 3.01Å; E43-Y45 VanDerWaalsContact OE2-OH 3.08Å; E43-P57 HydrophobicContact CB-CB 3.91Å; E43-P57 HydrophobicContact CB-CG 4.15Å; E43-P57 HydrophobicContact CG-CB 4.42Å; E43-P57 HydrophobicContact CG-CG 4.13Å; E43-V59 HydrophobicContact CG-CG2 4.35Å
44K92Very high83Confident58 Ų5870.1 Ų70.125%0.25236%0.36SS..EExtended strand (participates in β ladder)trans-101.4126.4176178.3-178.3176.2160.40110.4M16 C27 L29 K58M16-K44 HydrophobicContact SD-CD 3.86Å; C27-K44 HydrophobicContact CB-CD 4.44Å; C27-K44 HydrophobicContact CB-CG 4.12Å; C27-K44 WeakPolarHBondContact SG-CE 3.4Å; L29-K44 HydrophobicContact CD1-CB 4.34Å; K44-K58 HydrophobicContact CB-CB 4.36Å; K44-K58 PolarHBondContact N-O 3.03Å; K44-K58 PolarHBondContact O-N 3.43Å; K44-K58 VanDerWaalsContact O-N 3.09Å
45Y91.1Very high82.6Confident9 Ų969.5 Ų69.54%0.03535%0.353CS..EExtended strand (participates in β ladder)trans-117.5153.7175.1-61.2-91.4000110.9C27 W28 V30 E43 D47 A51 T55 P57C27-Y45 VanDerWaalsContact CB-O 3.25Å; C27-Y45 WeakPolarHBondContact CB-O 3.33Å; W28-Y45 PolarHBondContact N-O 3.36Å; W28-Y45 PolarHBondContact O-N 2.93Å; V30-Y45 HydrophobicContact CB-CE2 4.38Å; V30-Y45 HydrophobicContact CG2-CD2 4.01Å; V30-Y45 HydrophobicContact CG2-CE2 3.81Å; E43-Y45 HydrophobicContact CB-CD2 4.35Å; E43-Y45 HydrophobicContact CB-CE2 3.57Å; E43-Y45 PolarHBondContact OE2-OH 3.01Å; E43-Y45 VanDerWaalsContact OE2-OH 3.08Å; Y45-D47 VanDerWaalsContact C-N 3.3Å; Y45-D47 WeakPolarHBondContact CB-O 3.48Å; Y45-D47 PolarHBondContact O-N 3.43Å; Y45-A51 VanDerWaalsContact CD1-CA 3.46Å; Y45-A51 HydrophobicContact CD1-CB 3.93Å; Y45-A51 HydrophobicContact CD2-CB 3.62Å; Y45-A51 HydrophobicContact CE1-CB 4.19Å; Y45-A51 HydrophobicContact CE2-CB 3.92Å; Y45-A51 HydrophobicContact CG-CB 3.6Å; Y45-T55 VanDerWaalsContact CE1-O 3.28Å; Y45-T55 WeakPolarHBondContact CE1-O 3.41Å; Y45-P57 HydrophobicContact CD1-CB 4.11Å; Y45-P57 HydrophobicContact CD2-CB 4.41Å; Y45-P57 HydrophobicContact CE1-CB 3.63Å; Y45-P57 HydrophobicContact CE1-CG 4.14Å; Y45-P57 HydrophobicContact CE2-CB 3.96Å; Y45-P57 HydrophobicContact CG-CB 4.49Å
46P89.1Confident82.3Confident92 Ų9273.8 Ų73.860%0.59738%0.382SS*.SBendtrans-58.3-43.1172.7-23.233.7000112.4A50P46-A50 HydrophobicContact CG-CB 4.48Å
47D90.2Very high83Confident65 Ų6569.8 Ų69.835%0.34835%0.353SS..SBendtrans-153.5174.6-177.457.859.4000111W28 Y45 K49 A50 A51W28-D47 VanDerWaalsContact CB-C 3.48Å; Y45-D47 VanDerWaalsContact C-N 3.3Å; Y45-D47 WeakPolarHBondContact CB-O 3.48Å; Y45-D47 PolarHBondContact O-N 3.43Å; D47-K49 VanDerWaalsContact C-N 3.34Å; D47-K49 WeakPolarHBondContact OD1-CA 3.22Å; D47-K49 WeakPolarHBondContact OD1-CB 3.46Å; D47-K49 PolarHBondContact OD1-N 2.64Å; D47-A50 PolarHBondContact O-N 2.95Å; D47-A50 WeakPolarHBondContact OD1-CB 3.33Å; D47-A50 PolarHBondContact OD1-N 2.8Å; D47-A51 PolarHBondContact O-N 3.33Å
48E88.9Confident83.7Confident98 Ų9872.4 Ų72.446%0.45837%0.365SS..Hα-helixtrans-64.7-35.6-179.7-176.2175-169.400112.9Y13 W28 A50 A51 Y52Y13-E48 WeakPolarHBondContact OH-CB 3.35Å; Y13-E48 PolarHBondContact OH-N 3.26Å; W28-E48 HydrophobicContact CD2-CB 3.89Å; W28-E48 HydrophobicContact CD2-CG 4.21Å; W28-E48 HydrophobicContact CE3-CB 3.81Å; W28-E48 HydrophobicContact CE3-CG 4.24Å; W28-E48 HydrophobicContact CG-CB 4.39Å; W28-E48 HydrophobicContact CH2-CB 4.36Å; W28-E48 HydrophobicContact CH2-CG 3.9Å; W28-E48 HydrophobicContact CZ2-CB 4.46Å; W28-E48 HydrophobicContact CZ2-CG 3.88Å; W28-E48 HydrophobicContact CZ3-CB 4.05Å; W28-E48 HydrophobicContact CZ3-CG 4.09Å; E48-A50 VanDerWaalsContact C-N 3.35Å; E48-A50 PolarHBondContact O-N 2.97Å; E48-A51 WeakPolarHBondContact O-CB 3.27Å; E48-A51 PolarHBondContact O-N 2.65Å; E48-A51 VanDerWaalsContact O-N 3.16Å; E48-Y52 PolarHBondContact O-N 2.73Å
49K85.3Confident84.3Confident153 Ų15374.8 Ų74.867%0.66537%0.374SS*.Hα-helixtrans-65.8-41180-169.5179.7-178.1179.80110.8D47 A51 Y52 I53D47-K49 VanDerWaalsContact C-N 3.34Å; D47-K49 WeakPolarHBondContact OD1-CA 3.22Å; D47-K49 WeakPolarHBondContact OD1-CB 3.46Å; D47-K49 PolarHBondContact OD1-N 2.64Å; K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 3.48Å; K49-Y52 PolarHBondContact O-N 3.36Å; K49-I53 HydrophobicContact CG-CD1 3.89Å; K49-I53 VanDerWaalsContact O-CG1 3.3Å; K49-I53 WeakPolarHBondContact O-CG1 3.21Å; K49-I53 PolarHBondContact O-N 3.46Å
50A86.1Confident84.7Confident14 Ų1473.2 Ų73.212%0.11636%0.363CS..Hα-helixtrans-64.4-32174.700000112.5P46 D47 E48 R54 T55P46-A50 HydrophobicContact CG-CB 4.48Å; D47-A50 PolarHBondContact O-N 2.95Å; D47-A50 WeakPolarHBondContact OD1-CB 3.33Å; D47-A50 PolarHBondContact OD1-N 2.8Å; E48-A50 VanDerWaalsContact C-N 3.35Å; E48-A50 PolarHBondContact O-N 2.97Å; A50-R54 PolarHBondContact O-N 3.07Å; A50-T55 HydrophobicContact CB-CG2 4.47Å; A50-T55 PolarHBondContact O-N 3.37Å; A50-T55 VanDerWaalsContact O-N 3.14Å; A50-T55 PolarHBondContact O-OG1 3.12Å
51A81.9Confident84.7Confident15 Ų1575.5 Ų75.512%0.12438%0.376CS..Hα-helixtrans-71.1-42173.300000112.1W28 Y45 D47 E48 K49 R54W28-A51 HydrophobicContact CG-CB 4.3Å; Y45-A51 VanDerWaalsContact CD1-CA 3.46Å; Y45-A51 HydrophobicContact CD1-CB 3.93Å; Y45-A51 HydrophobicContact CD2-CB 3.62Å; Y45-A51 HydrophobicContact CE1-CB 4.19Å; Y45-A51 HydrophobicContact CE2-CB 3.92Å; Y45-A51 HydrophobicContact CG-CB 3.6Å; D47-A51 PolarHBondContact O-N 3.33Å; E48-A51 WeakPolarHBondContact O-CB 3.27Å; E48-A51 PolarHBondContact O-N 2.65Å; E48-A51 VanDerWaalsContact O-N 3.16Å; K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 3.48Å; A51-R54 PolarHBondContact O-N 3.08Å; A51-R54 VanDerWaalsContact O-N 3.14Å
52Y79.4Confident84.3Confident201 Ų20174.5 Ų74.579%0.78837%0.373SS*.Hα-helixtrans-61.9-44.1176.9-175.5-98000112.2E48 K49 R54E48-Y52 PolarHBondContact O-N 2.73Å; K49-Y52 PolarHBondContact O-N 3.36Å; Y52-R54 PolarHBondContact O-N 3.45Å
53I79.3Confident83.4Confident106 Ų10676.5 Ų76.554%0.54439%0.387SS..THydrogen-bonded Turntrans-77.6-1.4179.6-56.2164.9000111.7K49 T55K49-I53 HydrophobicContact CG-CD1 3.89Å; K49-I53 VanDerWaalsContact O-CG1 3.3Å; K49-I53 WeakPolarHBondContact O-CG1 3.21Å; K49-I53 PolarHBondContact O-N 3.46Å; I53-T55 VanDerWaalsContact C-N 3.29Å; I53-T55 PolarHBondContact O-N 2.93Å
54R67.9Low82.6Confident166 Ų16681.3 Ų81.363%0.62641%0.414SS*.THydrogen-bonded Turntrans53.241.2179.5-56.3-171.9-178.8-159.55.8113.9A50 A51 Y52A50-R54 PolarHBondContact O-N 3.07Å; A51-R54 PolarHBondContact O-N 3.08Å; A51-R54 VanDerWaalsContact O-N 3.14Å; Y52-R54 PolarHBondContact O-N 3.45Å
55T69.1Low81.8Confident60 Ų6079.5 Ų79.537%0.36841%0.407SS..  trans-56.5149.6168.558.30000110.5Y45 A50 I53 P57Y45-T55 VanDerWaalsContact CE1-O 3.28Å; Y45-T55 WeakPolarHBondContact CE1-O 3.41Å; A50-T55 HydrophobicContact CB-CG2 4.47Å; A50-T55 PolarHBondContact O-N 3.37Å; A50-T55 VanDerWaalsContact O-N 3.14Å; A50-T55 PolarHBondContact O-OG1 3.12Å; I53-T55 VanDerWaalsContact C-N 3.29Å; I53-T55 PolarHBondContact O-N 2.93Å; T55-P57 WeakPolarHBondContact O-CD 3.27Å
56C72.1Confident81Confident131 Ų13184.8 Ų84.889%0.88543%0.43SS*.  trans-55.9103.5-175.4-170.50000111.1
57P82.6Confident80.3Confident31 Ų3183.9 Ų83.920%0.20142%0.421CS..  trans-77.4157.9-173.828.5-28.5000110.8E43 Y45 T55 V59E43-P57 HydrophobicContact CB-CB 3.91Å; E43-P57 HydrophobicContact CB-CG 4.15Å; E43-P57 HydrophobicContact CG-CB 4.42Å; E43-P57 HydrophobicContact CG-CG 4.13Å; Y45-P57 HydrophobicContact CD1-CB 4.11Å; Y45-P57 HydrophobicContact CD2-CB 4.41Å; Y45-P57 HydrophobicContact CE1-CB 3.63Å; Y45-P57 HydrophobicContact CE1-CG 4.14Å; Y45-P57 HydrophobicContact CE2-CB 3.96Å; Y45-P57 HydrophobicContact CG-CB 4.49Å; T55-P57 WeakPolarHBondContact O-CD 3.27Å; P57-V59 HydrophobicContact CG-CG2 3.88Å; P57-V59 PolarHBondContact O-N 3.39Å; P57-V59 VanDerWaalsContact O-N 3.13Å
58K84.8Confident79.8Confident134 Ų13481 Ų8158%0.58341%0.405SS*.EExtended strand (participates in β ladder)trans-77.1102.6162.4-175.1170.4-176.7168.20108.7K44K44-K58 HydrophobicContact CB-CB 4.36Å; K44-K58 PolarHBondContact N-O 3.03Å; K44-K58 PolarHBondContact O-N 3.43Å; K44-K58 VanDerWaalsContact O-N 3.09Å
59V88.2Confident79.4Confident76 Ų7678.5 Ų78.546%0.46140%0.396SS..EExtended strand (participates in β ladder)trans-83134179.2-173.70000110.3R41 L42 E43 P57R41-V59 HydrophobicContact CB-CG1 3.89Å; R41-V59 HydrophobicContact CG-CG1 4.21Å; L42-V59 CarbonylContact O-C 3.59Å; L42-V59 WeakPolarHBondContact O-CA 3.35Å; E43-V59 HydrophobicContact CG-CG2 4.35Å; P57-V59 HydrophobicContact CG-CG2 3.88Å; P57-V59 PolarHBondContact O-N 3.39Å; P57-V59 VanDerWaalsContact O-N 3.13Å
60T87.1Confident79.3Confident31 Ų3174 Ų7419%0.1938%0.375CS..EExtended strand (participates in β ladder)trans-120.2112.2163.9-57.10000107R41 L42 I62 R90R41-T60 CarbonylContact C-O 3.6Å; R41-T60 WeakPolarHBondContact CA-O 3.27Å; L42-T60 PolarHBondContact N-O 3.44Å; L42-T60 PolarHBondContact O-N 3.04Å; T60-I62 PolarHBondContact O-N 3.23Å; T60-R90 HydrophobicContact CG2-CG 4.42Å
61E86.1Confident78.8Confident102 Ų10275.8 Ų75.848%0.47738%0.382SS..EExtended strand (participates in β ladder)trans-61.1137.3171.7-166.8-177.414200109.6P39 S63P39-E61 HydrophobicContact CB-CG 4.31Å; P39-E61 HydrophobicContact CG-CG 4.07Å; E61-S63 VanDerWaalsContact OE1-CB 3.25Å; E61-S63 WeakPolarHBondContact OE1-CB 3.34Å; E61-S63 PolarHBondContact OE1-OG 2.96Å
62I85.1Confident78Confident5 Ų578.8 Ų78.83%0.02640%0.401CS..  trans-110.676.1171.8-57.3177.7000107.8F31 R40 L42 T60 V65 I82 F84 L107F31-I62 HydrophobicContact CD2-CD1 3.83Å; F31-I62 HydrophobicContact CE2-CD1 3.6Å; R40-I62 HydrophobicContact CG-CB 4.18Å; R40-I62 PolarHBondContact O-N 3.49Å; L42-I62 HydrophobicContact CB-CD1 4.42Å; L42-I62 HydrophobicContact CD1-CD1 3.69Å; L42-I62 HydrophobicContact CD1-CG1 4.33Å; L42-I62 HydrophobicContact CD2-CD1 4.14Å; L42-I62 HydrophobicContact CG-CD1 3.4Å; L42-I62 VanDerWaalsContact CG-CD1 3.4Å; L42-I62 HydrophobicContact CG-CG1 4.14Å; T60-I62 PolarHBondContact O-N 3.23Å; I62-V65 HydrophobicContact CG2-CG2 3.1Å; I62-I82 HydrophobicContact CD1-CD1 4.22Å; I62-F84 HydrophobicContact CG2-CE1 4.39Å; I62-L107 HydrophobicContact CD1-CD2 4.3Å
63S72.5Confident77.3Confident48 Ų4876.7 Ų76.734%0.33639%0.391SS..  trans-106.2149.6163.744.50000108.8E61 V65E61-S63 VanDerWaalsContact OE1-CB 3.25Å; E61-S63 WeakPolarHBondContact OE1-CB 3.34Å; E61-S63 PolarHBondContact OE1-OG 2.96Å; S63-V65 PolarHBondContact O-N 2.96Å
64N75.3Confident76.3Confident113 Ų11379.4 Ų79.460%0.60441%0.407SS*.SBendtrans57.752.3174.3-46.2-36.1000114.4K66 F84 T85N64-K66 PolarHBondContact O-N 3.2Å; N64-F84 WeakPolarHBondContact O-CA 3.31Å; N64-T85 HydrophobicContact CB-CG2 3.96Å; N64-T85 VanDerWaalsContact CB-OG1 3.3Å; N64-T85 WeakPolarHBondContact CB-OG1 3.34Å; N64-T85 WeakPolarHBondContact O-CG2 3.38Å; N64-T85 PolarHBondContact O-N 2.91Å
65V76.8Confident76.1Confident20 Ų2076 Ų7612%0.12141%0.405CS..EExtended strand (participates in β ladder)trans-74124.9171.4-174.60000108.8I62 S63 I68 I82 F84 C111 L112I62-V65 HydrophobicContact CG2-CG2 3.1Å; S63-V65 PolarHBondContact O-N 2.96Å; V65-I68 HydrophobicContact CG1-CD1 4.17Å; V65-I68 HydrophobicContact CG1-CG1 3.85Å; V65-I82 HydrophobicContact CG1-CG2 3.87Å; V65-I82 HydrophobicContact CG2-CG2 4.06Å; V65-F84 HydrophobicContact CG2-CE1 4.47Å; V65-C111 HydrophobicContact CB-CB 4.05Å; V65-C111 HydrophobicContact CG1-CB 4.24Å; V65-C111 HydrophobicContact CG2-CB 3.85Å; V65-L112 HydrophobicContact CB-CD2 4Å; V65-L112 HydrophobicContact CG1-CD2 3.83Å; V65-L112 HydrophobicContact CG1-CG 4.27Å; V65-L112 VanDerWaalsContact O-CD2 3.26Å; V65-L112 WeakPolarHBondContact O-CD2 3.5Å
66K73.1Confident76Confident120 Ų12076.9 Ų76.952%0.52240%0.403SS..EExtended strand (participates in β ladder)trans-83.7-44.6175.3179.2177176.7175.10111N64 V83 T85 D87N64-K66 PolarHBondContact O-N 3.2Å; K66-V83 HydrophobicContact CD-CG1 4.46Å; K66-V83 PolarHBondContact N-O 2.96Å; K66-T85 HydrophobicContact CB-CG2 4.23Å; K66-D87 IonicContact NZ-OD1 2.84Å; K66-D87 PolarHBondContact NZ-OD1 3.45Å
67N75.6Confident76.2Confident73 Ų7379.6 Ų79.639%0.3940%0.395SS..EExtended strand (participates in β ladder)trans-158.3156.8-178.3-163.88.8000111.7T69 V83N67-T69 WeakPolarHBondContact ND2-CG2 3.45Å; N67-V83 HydrophobicContact CB-CB 4.34Å; N67-V83 PolarHBondContact N-O 3.29Å; N67-V83 VanDerWaalsContact N-O 3.13Å; N67-V83 PolarHBondContact O-N 3.35Å
68I78.5Confident76.3Confident5 Ų580.3 Ų80.33%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-125.3131.8169.3-66159.8000106.8V65 V80 A81 I82 F104 L107 C111 L112V65-I68 HydrophobicContact CG1-CD1 4.17Å; V65-I68 HydrophobicContact CG1-CG1 3.85Å; I68-V80 HydrophobicContact CG2-CG1 4.16Å; I68-A81 WeakPolarHBondContact CA-O 3.33Å; I68-I82 HydrophobicContact CG1-CG2 4.45Å; I68-F104 HydrophobicContact CB-CE2 4.49Å; I68-F104 HydrophobicContact CG2-CD2 3.64Å; I68-F104 HydrophobicContact CG2-CE2 3.88Å; I68-F104 VanDerWaalsContact O-CE2 3.29Å; I68-F104 WeakPolarHBondContact O-CE2 3.3Å; I68-L107 HydrophobicContact CD1-CB 3.63Å; I68-L107 WeakPolarHBondContact CD1-O 3.47Å; I68-L107 HydrophobicContact CG1-CB 4.5Å; I68-L107 HydrophobicContact CG2-CB 4.29Å; I68-C111 HydrophobicContact CD1-CB 3.72Å; I68-L112 HydrophobicContact CB-CD1 4.2Å; I68-L112 HydrophobicContact CD1-CD1 3.98Å; I68-L112 HydrophobicContact CD1-CG 4.21Å; I68-L112 HydrophobicContact CG1-CD1 4.07Å
69T80.9Confident76.4Confident44 Ų4474 Ų7427%0.2737%0.368SS..EExtended strand (participates in β ladder)trans-139.1143.2-171.757.50000112.3N67 A81N67-T69 WeakPolarHBondContact ND2-CG2 3.45Å; T69-A81 PolarHBondContact N-O 3.47Å; T69-A81 PolarHBondContact O-N 3.44Å
70R82.6Confident76.4Confident59 Ų5970.3 Ų70.322%0.22335%0.346CS..EExtended strand (participates in β ladder)trans-76.5133.7162.9-59.7-70.6-66.3134.2-1.2108.7A79 E97 A100 E101 F104R70-A79 PolarHBondContact NH1-O 3.04Å; R70-E97 IonicContact CZ-OE1 2.79Å; R70-E97 IonicContact NE-OE1 3.07Å; R70-E97 IonicContact NH2-OE1 2.82Å; R70-E97 PolarHBondContact NH2-OE1 3.07Å; R70-A100 VanDerWaalsContact CZ-CB 3.48Å; R70-A100 VanDerWaalsContact NH2-CB 3.35Å; R70-E101 IonicContact NE-OE2 2.65Å; R70-F104 HydrophobicContact CG-CD1 4.36Å; R70-F104 HydrophobicContact CG-CD2 3.83Å; R70-F104 HydrophobicContact CG-CE2 4.11Å; R70-F104 HydrophobicContact CG-CG 3.98Å
71L75.1Confident76.4Confident51 Ų5169.1 Ų69.127%0.26734%0.339SS..PPolyproline II helixtrans-88.4142.6174-75.3158.4000110.3A79 A81 T91L71-A79 HydrophobicContact CB-CB 4.01Å; L71-A79 HydrophobicContact CD1-CB 3.8Å; L71-A79 PolarHBondContact N-O 3.26Å; L71-A79 VanDerWaalsContact N-O 3.09Å; L71-A81 HydrophobicContact CD1-CB 4.16Å; L71-A81 HydrophobicContact CG-CB 4.38Å; L71-T91 HydrophobicContact CD1-CG2 3.41Å; L71-T91 VanDerWaalsContact CD1-CG2 3.41Å
72P66.5Low76.5Confident78 Ų7864.2 Ų64.251%0.50632%0.316SS..PPolyproline II helixtrans-57.2146.9179.3-24.232.2000113.1D74 T75 K76P72-D74 PolarHBondContact O-N 3.47Å; P72-D74 VanDerWaalsContact O-N 3.13Å; P72-T75 PolarHBondContact O-N 3.43Å; P72-T75 PolarHBondContact O-OG1 3.45Å; P72-K76 PolarHBondContact O-N 2.94Å
73R63.8Low76.3Confident157 Ų15765.6 Ų65.659%0.59233%0.325SS*.THydrogen-bonded Turntrans-57.1-30179.8-75.6-177171.6-169.9-1.6113.4T75 E97R73-T75 VanDerWaalsContact C-N 3.33Å; R73-E97 IonicContact CZ-OE2 2.71Å; R73-E97 IonicContact NE-OE2 3.55Å; R73-E97 PolarHBondContact NE-OE2 2.82Å; R73-E97 IonicContact NH2-OE2 2.58Å; R73-E97 PolarHBondContact NH2-OE2 2.95Å
74D58.8Low76.8Confident163 Ų16364 Ų6487%0.87231%0.312SS*.THydrogen-bonded Turntrans-75-23.6-178.4-51.1-38.8000112.8P72P72-D74 PolarHBondContact O-N 3.47Å; P72-D74 VanDerWaalsContact O-N 3.13Å
75T63.4Low76.8Confident94 Ų9462.8 Ų62.858%0.57731%0.309SS*.THydrogen-bonded Turntrans-94.8-53175.947.80000111.3P72 R73P72-T75 PolarHBondContact O-N 3.43Å; P72-T75 PolarHBondContact O-OG1 3.45Å; R73-T75 VanDerWaalsContact C-N 3.33Å
76K67.6Low77.1Confident79 Ų7967.2 Ų67.234%0.34333%0.331SS..  trans-153.9109179.1-63-172.9-175.6171.10111.4Y24 P72 H78 A79Y24-K76 WeakPolarHBondContact OH-CE 3.49Å; Y24-K76 PolarHBondContact OH-NZ 3.47Å; P72-K76 PolarHBondContact O-N 2.94Å; K76-H78 PolarHBondContact O-N 3.38Å; K76-A79 HydrophobicContact CB-CB 3.61Å; K76-A79 WeakPolarHBondContact O-CB 3.19Å
77R75.1Confident77.2Confident188 Ų18867 Ų6771%0.70934%0.336SS*.THydrogen-bonded Turntrans-57.2137.3175.3-65.5-170.2-175.8-1692.2111.6A79R77-A79 PolarHBondContact O-N 3.32Å
78H86Confident77.7Confident47 Ų4765.1 Ų65.122%0.21833%0.329CS..THydrogen-bonded Turntrans56.331.1174.4-42.1147.4000114.6K76 C94 E97 A100K76-H78 PolarHBondContact O-N 3.38Å; H78-C94 HydrophobicContact CB-CB 4.44Å; H78-C94 WeakPolarHBondContact CB-O 3.47Å; H78-C94 PolarHBondContact O-N 2.82Å; H78-E97 IonicContact CD2-OE2 3.04Å; H78-E97 PolarHBondContact CD2-OE2 2.89Å; H78-A100 HydrophobicContact CB-CB 3.97Å; H78-A100 WeakPolarHBondContact O-CB 3.4Å
79A85.9Confident78Confident0 Ų068 Ų680%035%0.349CS..EExtended strand (participates in β ladder)trans-98.6136.7-173.900000113.2R70 L71 K76 R77 T91 F92 T93R70-A79 PolarHBondContact NH1-O 3.04Å; L71-A79 HydrophobicContact CB-CB 4.01Å; L71-A79 HydrophobicContact CD1-CB 3.8Å; L71-A79 PolarHBondContact N-O 3.26Å; L71-A79 VanDerWaalsContact N-O 3.09Å; K76-A79 HydrophobicContact CB-CB 3.61Å; K76-A79 WeakPolarHBondContact O-CB 3.19Å; R77-A79 PolarHBondContact O-N 3.32Å; A79-T91 HydrophobicContact CB-CG2 4.3Å; A79-F92 CarbonylContact C-O 3.51Å; A79-F92 WeakPolarHBondContact CA-O 3.48Å; A79-T93 HydrophobicContact CB-CG2 3.73Å
80V87.9Confident78.4Confident0 Ų069 Ų690%035%0.348CS..EExtended strand (participates in β ladder)trans-115.1130.7176.1-177.40000108.1I68 T91 F92 A100 W103 F104 L107I68-V80 HydrophobicContact CG2-CG1 4.16Å; V80-T91 WeakPolarHBondContact O-CA 3.29Å; V80-T91 WeakPolarHBondContact O-CG2 3.34Å; V80-F92 HydrophobicContact CB-CD2 4.4Å; V80-F92 HydrophobicContact CB-CE1 4.13Å; V80-F92 HydrophobicContact CB-CE2 3.82Å; V80-F92 HydrophobicContact CB-CZ 3.68Å; V80-F92 HydrophobicContact CG1-CE1 4.21Å; V80-F92 HydrophobicContact CG1-CE2 4.48Å; V80-F92 HydrophobicContact CG1-CZ 3.87Å; V80-F92 HydrophobicContact CG2-CE2 4.08Å; V80-F92 HydrophobicContact CG2-CZ 4.25Å; V80-F92 PolarHBondContact N-O 2.88Å; V80-F92 PolarHBondContact O-N 2.88Å; V80-A100 HydrophobicContact CG2-CB 4.37Å; V80-A100 VanDerWaalsContact CG2-O 3.28Å; V80-A100 WeakPolarHBondContact CG2-O 3.43Å; V80-W103 HydrophobicContact CG2-CB 4.26Å; V80-F104 HydrophobicContact CG1-CB 4.37Å; V80-F104 HydrophobicContact CG2-CB 4.22Å; V80-L107 HydrophobicContact CG1-CD1 4.02Å
81A87.4Confident78.8Confident5 Ų567.8 Ų67.84%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-117.4133.5176.500000110.7I68 T69 L71 R90 T91I68-A81 WeakPolarHBondContact CA-O 3.33Å; T69-A81 PolarHBondContact N-O 3.47Å; T69-A81 PolarHBondContact O-N 3.44Å; L71-A81 HydrophobicContact CD1-CB 4.16Å; L71-A81 HydrophobicContact CG-CB 4.38Å; A81-R90 WeakPolarHBondContact CA-O 3.46Å; A81-T91 HydrophobicContact CB-CG2 4.39Å
82I89.1Confident79.7Confident0 Ų065.4 Ų65.40%034%0.335CS..EExtended strand (participates in β ladder)trans-103.7120.7170.2-54.1169.7000106.2L42 I62 V65 I68 F84 S89 R90 F92 L107L42-I82 HydrophobicContact CD1-CD1 3.67Å; I62-I82 HydrophobicContact CD1-CD1 4.22Å; V65-I82 HydrophobicContact CG1-CG2 3.87Å; V65-I82 HydrophobicContact CG2-CG2 4.06Å; I68-I82 HydrophobicContact CG1-CG2 4.45Å; I82-F84 HydrophobicContact CB-CE2 4.4Å; I82-F84 HydrophobicContact CG2-CE1 4.28Å; I82-F84 HydrophobicContact CG2-CE2 4.02Å; I82-F84 HydrophobicContact CG2-CZ 3.83Å; I82-S89 CarbonylContact O-C 3.6Å; I82-S89 WeakPolarHBondContact O-CA 3.47Å; I82-S89 WeakPolarHBondContact O-CB 3.31Å; I82-R90 PolarHBondContact N-O 2.86Å; I82-R90 PolarHBondContact O-N 2.9Å; I82-F92 HydrophobicContact CD1-CE1 4.41Å; I82-L107 HydrophobicContact CD1-CD1 3.91Å; I82-L107 HydrophobicContact CD1-CD2 3.95Å; I82-L107 HydrophobicContact CG1-CD1 4.07Å
83V81.5Confident80.9Confident33 Ų3362.6 Ų62.620%0.232%0.316CS..EExtended strand (participates in β ladder)trans-106.7124.9178.8-174.40000108.1K66 N67K66-V83 HydrophobicContact CD-CG1 4.46Å; K66-V83 PolarHBondContact N-O 2.96Å; N67-V83 HydrophobicContact CB-CB 4.34Å; N67-V83 PolarHBondContact N-O 3.29Å; N67-V83 VanDerWaalsContact N-O 3.13Å; N67-V83 PolarHBondContact O-N 3.35Å
84F82.6Confident82.2Confident16 Ų1655.6 Ų55.67%0.0729%0.291CS..EExtended strand (participates in β ladder)trans-92.4164.8-179.9-63-86.8000110.3I62 N64 V65 I82 D86 D87 S88 R90I62-F84 HydrophobicContact CG2-CE1 4.39Å; N64-F84 WeakPolarHBondContact O-CA 3.31Å; V65-F84 HydrophobicContact CG2-CE1 4.47Å; I82-F84 HydrophobicContact CB-CE2 4.4Å; I82-F84 HydrophobicContact CG2-CE1 4.28Å; I82-F84 HydrophobicContact CG2-CE2 4.02Å; I82-F84 HydrophobicContact CG2-CZ 3.83Å; F84-D86 WeakPolarHBondContact CB-OD1 3.43Å; F84-D86 PolarHBondContact O-N 3.22Å; F84-D87 PolarHBondContact O-N 3.47Å; F84-D87 VanDerWaalsContact O-N 3.12Å; F84-S88 WeakPolarHBondContact CD2-O 2.91Å; F84-S88 WeakPolarHBondContact CD2-OG 3.49Å; F84-S88 PolarHBondContact N-O 3.27Å; F84-R90 HydrophobicContact CE2-CB 4.09Å; F84-R90 HydrophobicContact CE2-CG 3.61Å; F84-R90 HydrophobicContact CZ-CG 4.16Å
85T74.7Confident83.6Confident87 Ų8753.1 Ų53.153%0.53428%0.275SS..THydrogen-bonded Turntrans-64.9-19.1177.752.10000113.7N64 K66 D87N64-T85 HydrophobicContact CB-CG2 3.96Å; N64-T85 VanDerWaalsContact CB-OG1 3.3Å; N64-T85 WeakPolarHBondContact CB-OG1 3.34Å; N64-T85 WeakPolarHBondContact O-CG2 3.38Å; N64-T85 PolarHBondContact O-N 2.91Å; K66-T85 HydrophobicContact CB-CG2 4.23Å; T85-D87 PolarHBondContact O-N 3.47Å
86D82.2Confident84.6Confident112 Ų11251 Ų5160%0.59926%0.264SS*.THydrogen-bonded Turntrans-83.612.8174.370.6-10.1000113.1F84 S88F84-D86 WeakPolarHBondContact CB-OD1 3.43Å; F84-D86 PolarHBondContact O-N 3.22Å; D86-S88 PolarHBondContact O-N 3.41Å; D86-S88 WeakPolarHBondContact OD1-CA 3.3Å; D86-S88 WeakPolarHBondContact OD1-CB 3.13Å; D86-S88 PolarHBondContact OD1-N 2.88Å; D86-S88 PolarHBondContact OD1-OG 2.89Å; D86-S88 PolarHBondContact OD2-OG 2.82Å
87D76.1Confident85.2Confident115 Ų11550.2 Ų50.262%0.61526%0.261SS*.SBendtrans577.2-172.7-68.5-31.8000114.7K66 F84 T85K66-D87 IonicContact NZ-OD1 2.84Å; K66-D87 PolarHBondContact NZ-OD1 3.45Å; F84-D87 PolarHBondContact O-N 3.47Å; F84-D87 VanDerWaalsContact O-N 3.12Å; T85-D87 PolarHBondContact O-N 3.47Å
88S86.1Confident85.5Confident35 Ų3548.2 Ų48.225%0.24526%0.264CS..  trans-70.8152.6167.484.80000109.5F84 D86F84-S88 WeakPolarHBondContact CD2-O 2.91Å; F84-S88 WeakPolarHBondContact CD2-OG 3.49Å; F84-S88 PolarHBondContact N-O 3.27Å; D86-S88 PolarHBondContact O-N 3.41Å; D86-S88 WeakPolarHBondContact OD1-CA 3.3Å; D86-S88 WeakPolarHBondContact OD1-CB 3.13Å; D86-S88 PolarHBondContact OD1-N 2.88Å; D86-S88 PolarHBondContact OD1-OG 2.89Å; D86-S88 PolarHBondContact OD2-OG 2.82Å
89S85.6Confident85.3Confident64 Ų6447.8 Ų47.845%0.44826%0.262SS..EExtended strand (participates in β ladder)trans-131.9155.6175.562.70000112.7I82I82-S89 CarbonylContact O-C 3.6Å; I82-S89 WeakPolarHBondContact O-CA 3.47Å; I82-S89 WeakPolarHBondContact O-CB 3.31Å
90R88.5Confident85.2Confident65 Ų6547.8 Ų47.825%0.24526%0.262CS..EExtended strand (participates in β ladder)trans-125.7122.3169.5-68.3-69.4-176.7-72-15108.2R19 T60 A81 I82 F84R19-R90 VanDerWaalsContact NH2-NH1 3.17Å; R19-R90 VanDerWaalsContact NH2-NH2 3.14Å; T60-R90 HydrophobicContact CG2-CG 4.42Å; A81-R90 WeakPolarHBondContact CA-O 3.46Å; I82-R90 PolarHBondContact N-O 2.86Å; I82-R90 PolarHBondContact O-N 2.9Å; F84-R90 HydrophobicContact CE2-CB 4.09Å; F84-R90 HydrophobicContact CE2-CG 3.61Å; F84-R90 HydrophobicContact CZ-CG 4.16Å
91T91Very high84.9Confident35 Ų3551.9 Ų51.922%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-120.4137.5-178.9-48.50000110.4L71 A79 V80 A81L71-T91 HydrophobicContact CD1-CG2 3.41Å; L71-T91 VanDerWaalsContact CD1-CG2 3.41Å; A79-T91 HydrophobicContact CB-CG2 4.3Å; V80-T91 WeakPolarHBondContact O-CA 3.29Å; V80-T91 WeakPolarHBondContact O-CG2 3.34Å; A81-T91 HydrophobicContact CB-CG2 4.39Å
92F93.5Very high84.7Confident0 Ų054.2 Ų54.20%029%0.293CS..EExtended strand (participates in β ladder)trans-134.4160.1169.260.5-92.2000110V14 R15 M16 L29 A79 V80 I82 W103 L107V14-F92 HydrophobicContact CB-CB 4.23Å; V14-F92 HydrophobicContact CB-CD2 3.99Å; V14-F92 HydrophobicContact CB-CG 4.43Å; V14-F92 HydrophobicContact CG1-CD2 3.74Å; V14-F92 HydrophobicContact CG1-CE2 4.16Å; V14-F92 HydrophobicContact CG2-CB 4.12Å; V14-F92 HydrophobicContact CG2-CD2 4.44Å; V14-F92 HydrophobicContact CG2-CG 4.46Å; R15-F92 WeakPolarHBondContact O-CA 3.35Å; M16-F92 HydrophobicContact CE-CB 4.42Å; M16-F92 HydrophobicContact CG-CB 3.76Å; L29-F92 HydrophobicContact CD2-CD1 4.13Å; L29-F92 HydrophobicContact CD2-CE1 4.23Å; L29-F92 HydrophobicContact CD2-CG 4.33Å; A79-F92 CarbonylContact C-O 3.51Å; A79-F92 WeakPolarHBondContact CA-O 3.48Å; V80-F92 HydrophobicContact CB-CD2 4.4Å; V80-F92 HydrophobicContact CB-CE1 4.13Å; V80-F92 HydrophobicContact CB-CE2 3.82Å; V80-F92 HydrophobicContact CB-CZ 3.68Å; V80-F92 HydrophobicContact CG1-CE1 4.21Å; V80-F92 HydrophobicContact CG1-CE2 4.48Å; V80-F92 HydrophobicContact CG1-CZ 3.87Å; V80-F92 HydrophobicContact CG2-CE2 4.08Å; V80-F92 HydrophobicContact CG2-CZ 4.25Å; V80-F92 PolarHBondContact N-O 2.88Å; V80-F92 PolarHBondContact O-N 2.88Å; I82-F92 HydrophobicContact CD1-CE1 4.41Å; F92-W103 HydrophobicContact CE2-CB 3.82Å; F92-W103 AromaticContact CE2-CD2 3.9Å; F92-W103 HydrophobicContact CE2-CD2 3.9Å; F92-W103 HydrophobicContact CE2-CE3 4.28Å; F92-W103 AromaticContact CE2-CG 3.71Å; F92-W103 HydrophobicContact CE2-CG 3.71Å; F92-W103 HydrophobicContact CZ-CB 3.97Å; F92-W103 HydrophobicContact CZ-CD2 4.05Å; F92-W103 AromaticContact CZ-CE3 3.96Å; F92-W103 HydrophobicContact CZ-CE3 3.96Å; F92-W103 HydrophobicContact CZ-CG 4.09Å; F92-L107 HydrophobicContact CE1-CD1 3.79Å; F92-L107 HydrophobicContact CZ-CD1 3.63Å
93T92.3Very high84.5Confident20 Ų2054.2 Ų54.212%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-120.9139.9178.368.80000110.3R15 Y24 A79R15-T93 WeakPolarHBondContact CB-OG1 3.33Å; R15-T93 PolarHBondContact N-O 2.75Å; R15-T93 PolarHBondContact O-N 3.3Å; Y24-T93 HydrophobicContact CE1-CG2 4.21Å; A79-T93 HydrophobicContact CB-CG2 3.73Å
94C91.3Very high84.6Confident10 Ų1054.3 Ų54.37%0.06829%0.291CS..  trans-100.1167.2-178.2-580000111.7H78 E99 A100H78-C94 HydrophobicContact CB-CB 4.44Å; H78-C94 WeakPolarHBondContact CB-O 3.47Å; H78-C94 PolarHBondContact O-N 2.82Å; C94-E99 HydrophobicContact CB-CB 4.12Å; C94-E99 HydrophobicContact CB-CG 4.31Å; C94-E99 WeakPolarHBondContact CB-OE2 3.47Å; C94-A100 HydrophobicContact CB-CB 3.71Å; C94-A100 VanDerWaalsContact SG-CA 3.59Å
95E87.4Confident84.5Confident111 Ų11155.9 Ų55.952%0.51930%0.297SS..SBendtrans-77.1-29.9-177.2-66.2-177.5-18000111.5R26 E99R26-E95 IonicContact CZ-OE1 3.35Å; R26-E95 IonicContact NE-OE1 3Å; R26-E95 PolarHBondContact NE-OE1 3.32Å; R26-E95 IonicContact NH2-OE1 2.86Å; R26-E95 PolarHBondContact NH2-OE1 2.85Å; R26-E95 IonicContact NH2-OE2 3.95Å; E95-E99 PolarHBondContact N-OE2 2.72Å
96S84.3Confident84.8Confident50 Ų5053.5 Ų53.535%0.3528%0.281SS..SBendtrans-133.3161.5177.469.30000112.9L98 E99 A100S96-L98 VanDerWaalsContact C-N 3.31Å; S96-L98 PolarHBondContact O-N 3.1Å; S96-E99 PolarHBondContact O-N 2.71Å; S96-E99 WeakPolarHBondContact OG-CB 3.44Å; S96-E99 PolarHBondContact OG-N 2.58Å; S96-E99 VanDerWaalsContact OG-N 3.11Å; S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 2.72Å; S96-A100 VanDerWaalsContact O-N 3.08Å
97E81.6Confident84.8Confident61 Ų6148.2 Ų48.229%0.28525%0.252SS..Hα-helixtrans-57.9-44.6171.5-172.371.3-124.700111.3R70 R73 H78 E99 A100 E101R70-E97 IonicContact CZ-OE1 2.79Å; R70-E97 IonicContact NE-OE1 3.07Å; R70-E97 IonicContact NH2-OE1 2.82Å; R70-E97 PolarHBondContact NH2-OE1 3.07Å; R73-E97 IonicContact CZ-OE2 2.71Å; R73-E97 IonicContact NE-OE2 3.55Å; R73-E97 PolarHBondContact NE-OE2 2.82Å; R73-E97 IonicContact NH2-OE2 2.58Å; R73-E97 PolarHBondContact NH2-OE2 2.95Å; H78-E97 IonicContact CD2-OE2 3.04Å; H78-E97 PolarHBondContact CD2-OE2 2.89Å; E97-E99 PolarHBondContact O-N 3.01Å; E97-A100 WeakPolarHBondContact O-CB 3.36Å; E97-A100 PolarHBondContact O-N 3.17Å; E97-E101 WeakPolarHBondContact O-CB 3.34Å; E97-E101 PolarHBondContact O-N 3.26Å
98L79.5Confident84.9Confident146 Ų14643.2 Ų43.276%0.76423%0.226SC*.Hα-helixtrans-59.5-45.1179.5-177.369000111.9S96 A100 E101 D102S96-L98 VanDerWaalsContact C-N 3.31Å; S96-L98 PolarHBondContact O-N 3.1Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 3.13Å; L98-E101 PolarHBondContact O-N 3.1Å; L98-D102 PolarHBondContact O-N 2.69Å
99E83.8Confident84.2Confident39 Ų3944.1 Ų44.118%0.18223%0.228CC..Hα-helixtrans-66.3-38.9178.9-164.1-155.8168.700111.3C94 E95 S96 E97 E101 D102 W103C94-E99 HydrophobicContact CB-CB 4.12Å; C94-E99 HydrophobicContact CB-CG 4.31Å; C94-E99 WeakPolarHBondContact CB-OE2 3.47Å; E95-E99 PolarHBondContact N-OE2 2.72Å; S96-E99 PolarHBondContact O-N 2.71Å; S96-E99 WeakPolarHBondContact OG-CB 3.44Å; S96-E99 PolarHBondContact OG-N 2.58Å; S96-E99 VanDerWaalsContact OG-N 3.11Å; E97-E99 PolarHBondContact O-N 3.01Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E99-D102 PolarHBondContact O-N 2.96Å; E99-W103 PolarHBondContact O-N 3.01Å; E99-W103 PolarHBondContact OE1-NE1 2.8Å
100A83Confident83.9Confident0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-67-36.9178.900000112.2R70 H78 V80 C94 S96 E97 L98 F104R70-A100 VanDerWaalsContact CZ-CB 3.48Å; R70-A100 VanDerWaalsContact NH2-CB 3.35Å; H78-A100 HydrophobicContact CB-CB 3.97Å; H78-A100 WeakPolarHBondContact O-CB 3.4Å; V80-A100 HydrophobicContact CG2-CB 4.37Å; V80-A100 VanDerWaalsContact CG2-O 3.28Å; V80-A100 WeakPolarHBondContact CG2-O 3.43Å; C94-A100 HydrophobicContact CB-CB 3.71Å; C94-A100 VanDerWaalsContact SG-CA 3.59Å; S96-A100 WeakPolarHBondContact O-CB 3.5Å; S96-A100 PolarHBondContact O-N 2.72Å; S96-A100 VanDerWaalsContact O-N 3.08Å; E97-A100 WeakPolarHBondContact O-CB 3.36Å; E97-A100 PolarHBondContact O-N 3.17Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 3.13Å; A100-F104 VanDerWaalsContact O-CB 3.27Å; A100-F104 WeakPolarHBondContact O-CB 3.24Å; A100-F104 PolarHBondContact O-N 3.32Å
101E81Confident83.4Confident86 Ų8641.1 Ų41.140%0.40221%0.211SC..Hα-helixtrans-66.9-42.1173.3-165.856.4-148.600111.4R70 E97 L98 E99 F104 K105R70-E101 IonicContact NE-OE2 2.65Å; E97-E101 WeakPolarHBondContact O-CB 3.34Å; E97-E101 PolarHBondContact O-N 3.26Å; L98-E101 PolarHBondContact O-N 3.1Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E101-F104 PolarHBondContact O-N 3.01Å; E101-K105 VanDerWaalsContact O-CB 3.26Å; E101-K105 WeakPolarHBondContact O-CB 3.41Å; E101-K105 PolarHBondContact O-N 3.08Å
102D83.1Confident82.2Confident54 Ų5441.8 Ų41.829%0.28921%0.213SC..Hα-helixtrans-64.5-42.3176.3-168.447.3000111.8K10 L98 E99 K105 M106K10-D102 VanDerWaalsContact CE-OD2 3.31Å; K10-D102 WeakPolarHBondContact CE-OD2 3.32Å; K10-D102 IonicContact NZ-OD2 3.69Å; K10-D102 PolarHBondContact NZ-OD2 3.29Å; L98-D102 PolarHBondContact O-N 2.69Å; E99-D102 PolarHBondContact O-N 2.96Å; D102-K105 PolarHBondContact O-N 3.21Å; D102-M106 VanDerWaalsContact O-CG 3.26Å; D102-M106 WeakPolarHBondContact O-CG 3.45Å; D102-M106 PolarHBondContact O-N 2.96Å; D102-M106 WeakPolarHBondContact OD1-CE 3.49Å
103W86.4Confident80.4Confident0 Ų044.5 Ų44.50%024%0.241CC..Hα-helixtrans-61-46.9172.1-87.2109.1000112.7K10 V14 L29 F31 V80 F92 E99 K105 L107K10-W103 HydrophobicContact CB-CE3 4.48Å; K10-W103 HydrophobicContact CB-CH2 4.31Å; K10-W103 HydrophobicContact CB-CZ3 4.11Å; K10-W103 HydrophobicContact CD-CD2 3.66Å; K10-W103 HydrophobicContact CD-CE3 3.77Å; K10-W103 HydrophobicContact CD-CG 4.05Å; K10-W103 HydrophobicContact CD-CH2 4.45Å; K10-W103 HydrophobicContact CD-CZ2 4.36Å; K10-W103 HydrophobicContact CD-CZ3 4.17Å; K10-W103 VanDerWaalsContact CE-CD1 3.41Å; K10-W103 VanDerWaalsContact CE-CE2 3.43Å; K10-W103 HydrophobicContact CG-CD2 4.23Å; K10-W103 HydrophobicContact CG-CE3 4.14Å; K10-W103 HydrophobicContact CG-CH2 3.97Å; K10-W103 HydrophobicContact CG-CZ2 4.06Å; K10-W103 HydrophobicContact CG-CZ3 4.01Å; V14-W103 HydrophobicContact CG1-CZ2 4.1Å; L29-W103 HydrophobicContact CB-CH2 4.16Å; L29-W103 HydrophobicContact CB-CZ2 4.41Å; L29-W103 HydrophobicContact CD2-CH2 4.04Å; L29-W103 HydrophobicContact CD2-CZ3 4.15Å; L29-W103 HydrophobicContact CG-CH2 4.15Å; F31-W103 HydrophobicContact CB-CZ3 3.96Å; V80-W103 HydrophobicContact CG2-CB 4.26Å; F92-W103 HydrophobicContact CE2-CB 3.82Å; F92-W103 AromaticContact CE2-CD2 3.9Å; F92-W103 HydrophobicContact CE2-CD2 3.9Å; F92-W103 HydrophobicContact CE2-CE3 4.28Å; F92-W103 AromaticContact CE2-CG 3.71Å; F92-W103 HydrophobicContact CE2-CG 3.71Å; F92-W103 HydrophobicContact CZ-CB 3.97Å; F92-W103 HydrophobicContact CZ-CD2 4.05Å; F92-W103 AromaticContact CZ-CE3 3.96Å; F92-W103 HydrophobicContact CZ-CE3 3.96Å; F92-W103 HydrophobicContact CZ-CG 4.09Å; E99-W103 PolarHBondContact O-N 3.01Å; E99-W103 PolarHBondContact OE1-NE1 2.8Å; W103-K105 VanDerWaalsContact C-N 3.34Å; W103-K105 PolarHBondContact O-N 2.98Å; W103-L107 HydrophobicContact CE3-CD1 4.47Å; W103-L107 WeakPolarHBondContact O-CB 3.24Å; W103-L107 WeakPolarHBondContact O-CD1 3.26Å; W103-L107 VanDerWaalsContact O-CG 3.31Å; W103-L107 WeakPolarHBondContact O-CG 3.26Å; W103-L107 PolarHBondContact O-N 3.44Å
104F83.6Confident78.3Confident35 Ų3546.4 Ų46.415%0.15425%0.25CC..Hα-helixtrans-57.8-47.2177.1171.4-98.7000111.3I68 R70 V80 A100 E101 S108I68-F104 HydrophobicContact CB-CE2 4.49Å; I68-F104 HydrophobicContact CG2-CD2 3.64Å; I68-F104 HydrophobicContact CG2-CE2 3.88Å; I68-F104 VanDerWaalsContact O-CE2 3.29Å; I68-F104 WeakPolarHBondContact O-CE2 3.3Å; R70-F104 HydrophobicContact CG-CD1 4.36Å; R70-F104 HydrophobicContact CG-CD2 3.83Å; R70-F104 HydrophobicContact CG-CE2 4.11Å; R70-F104 HydrophobicContact CG-CG 3.98Å; V80-F104 HydrophobicContact CG1-CB 4.37Å; V80-F104 HydrophobicContact CG2-CB 4.22Å; A100-F104 VanDerWaalsContact O-CB 3.27Å; A100-F104 WeakPolarHBondContact O-CB 3.24Å; A100-F104 PolarHBondContact O-N 3.32Å; E101-F104 PolarHBondContact O-N 3.01Å; F104-S108 VanDerWaalsContact O-CB 3.29Å; F104-S108 WeakPolarHBondContact O-CB 3.44Å; F104-S108 PolarHBondContact O-N 3.28Å; F104-S108 PolarHBondContact O-OG 2.85Å
105K79.1Confident76.2Confident49 Ų4954.9 Ų54.921%0.21328%0.281CS..Hα-helixtrans-61.2-52.6178.9-179.2178.6178.5-179.80112E101 D102 W103 L107 S108 I109 Y135E101-K105 VanDerWaalsContact O-CB 3.26Å; E101-K105 WeakPolarHBondContact O-CB 3.41Å; E101-K105 PolarHBondContact O-N 3.08Å; D102-K105 PolarHBondContact O-N 3.21Å; W103-K105 VanDerWaalsContact C-N 3.34Å; W103-K105 PolarHBondContact O-N 2.98Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 2.86Å; K105-S108 PolarHBondContact O-N 2.8Å; K105-I109 HydrophobicContact CG-CD1 3.75Å; K105-I109 WeakPolarHBondContact O-CG1 3.4Å; K105-I109 PolarHBondContact O-N 2.79Å; K105-Y135 PolarHBondContact NZ-OH 3.45Å
106M81.6Confident74.1Confident37 Ų3753 Ų5318%0.18227%0.274CS..Hα-helixtrans-62.7-39.8-177.8-66.6-56.5158.700112.2V9 K10 D102 E110 Y135V9-M106 HydrophobicContact CG1-CB 4.37Å; K10-M106 HydrophobicContact CB-CB 4.46Å; K10-M106 HydrophobicContact CB-CG 4.48Å; K10-M106 HydrophobicContact CD-CB 4.17Å; K10-M106 HydrophobicContact CD-CG 3.9Å; D102-M106 VanDerWaalsContact O-CG 3.26Å; D102-M106 WeakPolarHBondContact O-CG 3.45Å; D102-M106 PolarHBondContact O-N 2.96Å; D102-M106 WeakPolarHBondContact OD1-CE 3.49Å; M106-E110 VanDerWaalsContact O-CB 3.29Å; M106-E110 WeakPolarHBondContact O-CB 3.49Å; M106-E110 PolarHBondContact O-N 2.9Å; M106-Y135 HydrophobicContact CE-CE1 4.27Å
107L83.3Confident72.1Confident0 Ų057.2 Ų57.20%029%0.292CS..Hα-helixtrans-66.2-43175.2-73.5166.9000111.3F31 I62 I68 V80 I82 F92 W103 K105 C111F31-L107 HydrophobicContact CD1-CD2 3.96Å; F31-L107 HydrophobicContact CD2-CD2 4Å; F31-L107 HydrophobicContact CE1-CD2 3.9Å; F31-L107 HydrophobicContact CE2-CD2 3.95Å; F31-L107 HydrophobicContact CG-CD2 4.01Å; F31-L107 HydrophobicContact CZ-CD2 3.89Å; I62-L107 HydrophobicContact CD1-CD2 4.3Å; I68-L107 HydrophobicContact CD1-CB 3.63Å; I68-L107 WeakPolarHBondContact CD1-O 3.47Å; I68-L107 HydrophobicContact CG1-CB 4.5Å; I68-L107 HydrophobicContact CG2-CB 4.29Å; V80-L107 HydrophobicContact CG1-CD1 4.02Å; I82-L107 HydrophobicContact CD1-CD1 3.91Å; I82-L107 HydrophobicContact CD1-CD2 3.95Å; I82-L107 HydrophobicContact CG1-CD1 4.07Å; F92-L107 HydrophobicContact CE1-CD1 3.79Å; F92-L107 HydrophobicContact CZ-CD1 3.63Å; W103-L107 HydrophobicContact CE3-CD1 4.47Å; W103-L107 WeakPolarHBondContact O-CB 3.24Å; W103-L107 WeakPolarHBondContact O-CD1 3.26Å; W103-L107 VanDerWaalsContact O-CG 3.31Å; W103-L107 WeakPolarHBondContact O-CG 3.26Å; W103-L107 PolarHBondContact O-N 3.44Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-L107 PolarHBondContact O-N 2.86Å; L107-C111 WeakPolarHBondContact O-CA 3.38Å; L107-C111 WeakPolarHBondContact O-CB 3.22Å; L107-C111 PolarHBondContact O-N 3.08Å; L107-C111 PolarHBondContact O-SG 3.09Å
108S76.6Confident69.9Low10 Ų1061.9 Ų61.97%0.0732%0.319CS..Hα-helixtrans-65.7-44.8-175.6-61.40000112.1F104 K105 L112F104-S108 VanDerWaalsContact O-CB 3.29Å; F104-S108 WeakPolarHBondContact O-CB 3.44Å; F104-S108 PolarHBondContact O-N 3.28Å; F104-S108 PolarHBondContact O-OG 2.85Å; K105-S108 PolarHBondContact O-N 2.8Å; S108-L112 WeakPolarHBondContact O-CB 3.49Å; S108-L112 PolarHBondContact O-N 2.93Å; S108-L112 VanDerWaalsContact O-N 3.15Å
109I72.1Confident68.1Low55 Ų5560.2 Ų60.228%0.28231%0.31SS..Hα-helixtrans-60.2-55.3176.9-67.2166.8000109.7K105 G113K105-I109 HydrophobicContact CG-CD1 3.75Å; K105-I109 WeakPolarHBondContact O-CG1 3.4Å; K105-I109 PolarHBondContact O-N 2.79Å; I109-G113 WeakPolarHBondContact O-CA 3.23Å; I109-G113 PolarHBondContact O-N 3.03Å; I109-G113 VanDerWaalsContact O-N 3.16Å
110E79.8Confident66.1Low49 Ų4964 Ų6423%0.22934%0.341CS..Hα-helixtrans-70.9-43.6-172-176.461.8-141.300111.4V9 F31 K33 R40 M106V9-E110 HydrophobicContact CG2-CG 4.35Å; F31-E110 HydrophobicContact CE1-CB 3.6Å; F31-E110 HydrophobicContact CE1-CG 3.59Å; F31-E110 HydrophobicContact CE2-CG 4.45Å; F31-E110 HydrophobicContact CZ-CB 3.66Å; F31-E110 HydrophobicContact CZ-CG 3.35Å; K33-E110 HydrophobicContact CB-CG 4.45Å; K33-E110 VanDerWaalsContact CB-OE1 3.25Å; K33-E110 WeakPolarHBondContact CB-OE1 3.32Å; R40-E110 IonicContact CZ-OE1 3.49Å; R40-E110 IonicContact NE-OE1 3.93Å; R40-E110 PolarHBondContact NE-OE1 3.41Å; R40-E110 PolarHBondContact NH1-O 3.36Å; R40-E110 PolarHBondContact NH2-O 2.87Å; R40-E110 IonicContact NH2-OE1 3.68Å; R40-E110 PolarHBondContact NH2-OE1 2.89Å; M106-E110 VanDerWaalsContact O-CB 3.29Å; M106-E110 WeakPolarHBondContact O-CB 3.49Å; M106-E110 PolarHBondContact O-N 2.9Å
111C76.9Confident63.9Low17 Ų1772.4 Ų72.412%0.11538%0.382CS..Hα-helixtrans-80.1-39.1-172-59.50000114.4V65 I68 L107V65-C111 HydrophobicContact CB-CB 4.05Å; V65-C111 HydrophobicContact CG1-CB 4.24Å; V65-C111 HydrophobicContact CG2-CB 3.85Å; I68-C111 HydrophobicContact CD1-CB 3.72Å; L107-C111 WeakPolarHBondContact O-CA 3.38Å; L107-C111 WeakPolarHBondContact O-CB 3.22Å; L107-C111 PolarHBondContact O-N 3.08Å; L107-C111 PolarHBondContact O-SG 3.09Å
112L67Low61.8Low48 Ų4872 Ų7225%0.25140%0.401SS..Hα-helixtrans-108.7-7-169.5-61.3170.8000112.1V65 I68 S108 I114V65-L112 HydrophobicContact CB-CD2 4Å; V65-L112 HydrophobicContact CG1-CD2 3.83Å; V65-L112 HydrophobicContact CG1-CG 4.27Å; V65-L112 VanDerWaalsContact O-CD2 3.26Å; V65-L112 WeakPolarHBondContact O-CD2 3.5Å; I68-L112 HydrophobicContact CB-CD1 4.2Å; I68-L112 HydrophobicContact CD1-CD1 3.98Å; I68-L112 HydrophobicContact CD1-CG 4.21Å; I68-L112 HydrophobicContact CG1-CD1 4.07Å; S108-L112 WeakPolarHBondContact O-CB 3.49Å; S108-L112 PolarHBondContact O-N 2.93Å; S108-L112 VanDerWaalsContact O-N 3.15Å; L112-I114 HydrophobicContact CB-CD1 3.55Å; L112-I114 HydrophobicContact CB-CG1 3.5Å; L112-I114 HydrophobicContact CD1-CD1 3.45Å; L112-I114 VanDerWaalsContact CD1-CD1 3.45Å; L112-I114 HydrophobicContact CD1-CG1 4.37Å; L112-I114 HydrophobicContact CG-CD1 4.12Å; L112-I114 PolarHBondContact O-N 3.46Å
113G55.4Low59.6Low57 Ų5775.9 Ų75.959%0.58842%0.418SS*.  trans56.324.2-176.200000112.3I109 R115I109-G113 WeakPolarHBondContact O-CA 3.23Å; I109-G113 PolarHBondContact O-N 3.03Å; I109-G113 VanDerWaalsContact O-N 3.16Å; G113-R115 PolarHBondContact O-N 3.2Å
114I48.4Very low57.7Low60 Ų6081.4 Ų81.431%0.30845%0.453SS..  trans-61.1107.2-173.4-71.2164.1000108L112 L116L112-I114 HydrophobicContact CB-CD1 3.55Å; L112-I114 HydrophobicContact CB-CG1 3.5Å; L112-I114 HydrophobicContact CD1-CD1 3.45Å; L112-I114 VanDerWaalsContact CD1-CD1 3.45Å; L112-I114 HydrophobicContact CD1-CG1 4.37Å; L112-I114 HydrophobicContact CG-CD1 4.12Å; L112-I114 PolarHBondContact O-N 3.46Å; I114-L116 HydrophobicContact CG2-CD2 3.96Å; I114-L116 HydrophobicContact CG2-CG 4.35Å; I114-L116 PolarHBondContact O-N 3.36Å
115R46Very low55.6Low189 Ų18986 Ų8671%0.71347%0.474SS*.  trans-65.8117.3149.6-56.7-169.988.2-166.75.2104.8G113 N117G113-R115 PolarHBondContact O-N 3.2Å; R115-N117 PolarHBondContact O-N 2.82Å
116L44.7Very low54.1Low72 Ų7291 Ų9138%0.37750%0.501SS..THydrogen-bonded Turntrans-68.145.7-175.1-71.5167.6000113.4I114 I119I114-L116 HydrophobicContact CG2-CD2 3.96Å; I114-L116 HydrophobicContact CG2-CG 4.35Å; I114-L116 PolarHBondContact O-N 3.36Å; L116-I119 HydrophobicContact CD2-CD1 4.07Å
117N41.8Very low52.2Low137 Ų13795.3 Ų95.373%0.73352%0.524SS*.THydrogen-bonded Turntrans-96-10.4174.5-79.1-0.5000113.4R115R115-N117 PolarHBondContact O-N 2.82Å
118D34.3Very low50.4Low159 Ų159101.6 Ų101.685%0.8555%0.552SS**SBendtrans-112.122.3-175.6-84-27000115.7
119I41.8Very low48.9Very low111 Ų111105.2 Ų105.257%0.56958%0.575SS**  trans-106.376.9167.5-49.5178.4000109L116 M121L116-I119 HydrophobicContact CD2-CD1 4.07Å; I119-M121 PolarHBondContact O-N 2.74Å
120S42.2Very low47.3Very low119 Ų119110.9 Ų110.983%0.83260%0.598SS**  trans-78.198154.4-179.60000107.8
121M38.2Very low45.6Very low176 Ų176112.4 Ų112.487%0.86761%0.606SS**SBendtrans-157.397.6155.1-98.9-65.2-97.800108.3I119I119-M121 PolarHBondContact O-N 2.74Å
122G35.6Very low44.1Very low78 Ų78114.9 Ų114.980%0.80462%0.618SS**  trans74.7100.2156.200000117.7
123E37.2Very low42.9Very low135 Ų135115.2 Ų115.263%0.63162%0.622SS**  trans-58.7163.9169.9-92.6179.7-143.600115.8K125E123-K125 HydrophobicContact CG-CD 4.23Å; E123-K125 HydrophobicContact CG-CG 4.08Å; E123-K125 WeakPolarHBondContact OE1-CE 3.46Å; E123-K125 IonicContact OE1-NZ 3.36Å; E123-K125 PolarHBondContact OE1-NZ 3.38Å; E123-K125 VanDerWaalsContact OE2-CD 3.26Å; E123-K125 WeakPolarHBondContact OE2-CD 3.46Å; E123-K125 VanDerWaalsContact OE2-CE 3.24Å; E123-K125 WeakPolarHBondContact OE2-CE 3.42Å; E123-K125 IonicContact OE2-NZ 3.54Å; E123-K125 PolarHBondContact OE2-NZ 3.12Å
124P45.6Very low42.2Very low116 Ų116118.5 Ų118.575%0.75362%0.621SS**  cis-130.3130.431.132.3-11000117.9I126P124-I126 PolarHBondContact O-N 2.96Å
125K41.3Very low42Very low133 Ų133120.1 Ų120.158%0.57862%0.623SS**  6.9102.7122.8-62.1170.2-179.2151.60114.1E123E123-K125 HydrophobicContact CG-CD 4.23Å; E123-K125 HydrophobicContact CG-CG 4.08Å; E123-K125 WeakPolarHBondContact OE1-CE 3.46Å; E123-K125 IonicContact OE1-NZ 3.36Å; E123-K125 PolarHBondContact OE1-NZ 3.38Å; E123-K125 VanDerWaalsContact OE2-CD 3.26Å; E123-K125 WeakPolarHBondContact OE2-CD 3.46Å; E123-K125 VanDerWaalsContact OE2-CE 3.24Å; E123-K125 WeakPolarHBondContact OE2-CE 3.42Å; E123-K125 IonicContact OE2-NZ 3.54Å; E123-K125 PolarHBondContact OE2-NZ 3.12Å
126I46.2Very low41.9Very low153 Ų153114.2 Ų114.279%0.78561%0.609SS**SBend-155.1-18.9121.7-77.3129.7000111.5P124P124-I126 PolarHBondContact O-N 2.96Å
127L42.7Very low41.9Very low128 Ų128112.7 Ų112.767%0.6760%0.601SS**SBendtrans-94.3-13.6-179.3-62.1175.6000114.2F130 I131L127-F130 PolarHBondContact O-N 3.25Å; L127-I131 HydrophobicContact CB-CD1 4.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.38Å; L127-I131 PolarHBondContact O-N 3.13Å
128F45.4Very low42.3Very low132 Ų132110.8 Ų110.858%0.57959%0.59SS**Hα-helixtrans-63.6-41.3-174.9-128.7-94.6000114.2F130 L132F128-F130 PolarHBondContact O-N 3.36Å; F128-L132 WeakPolarHBondContact O-CB 3.4Å; F128-L132 PolarHBondContact O-N 2.6Å
129P44Very low43.8Very low86 Ų86107.7 Ų107.756%0.55857%0.57SS**Hα-helixtrans-66-40.9179.7-18.330.4000112T133P129-T133 WeakPolarHBondContact O-CB 3.11Å; P129-T133 PolarHBondContact O-N 3.05Å; P129-T133 PolarHBondContact O-OG1 2.92Å
130F38.6Very low45.8Very low174 Ų174105.4 Ų105.476%0.76356%0.555SS**Hα-helixtrans-72.3-39.8-174.3-130.2-93.9000112.3L127 F128 F134L127-F130 PolarHBondContact O-N 3.25Å; F128-F130 PolarHBondContact O-N 3.36Å; F130-F134 VanDerWaalsContact O-CB 3.25Å; F130-F134 WeakPolarHBondContact O-CB 3.41Å; F130-F134 PolarHBondContact O-N 2.96Å
131I44.1Very low47.8Very low80 Ų80100 Ų10041%0.4152%0.516SS..Hα-helixtrans-78.5-40179.9-60.9172.2000110.7L127 T133 F134 Y135L127-I131 HydrophobicContact CB-CD1 4.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.38Å; L127-I131 PolarHBondContact O-N 3.13Å; I131-T133 VanDerWaalsContact C-N 3.35Å; I131-T133 PolarHBondContact O-N 3.43Å; I131-F134 PolarHBondContact O-N 3.48Å; I131-Y135 HydrophobicContact CG2-CD2 3.75Å; I131-Y135 HydrophobicContact CG2-CE2 3.79Å; I131-Y135 VanDerWaalsContact O-CD2 3.22Å; I131-Y135 WeakPolarHBondContact O-CD2 3.4Å; I131-Y135 PolarHBondContact O-N 3.16Å
132L45.1Very low50.1Low70 Ų7096 Ų9637%0.36650%0.498SS..Hα-helixtrans-64-41.8175.5-17366.9000111.4F128 Y135 V136F128-L132 WeakPolarHBondContact O-CB 3.4Å; F128-L132 PolarHBondContact O-N 2.6Å; L132-Y135 PolarHBondContact O-N 3.3Å; L132-V136 HydrophobicContact CD1-CG2 4.36Å; L132-V136 WeakPolarHBondContact O-CB 3.49Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 2.97Å
133T42.2Very low52.6Low54 Ų5492.6 Ų92.633%0.33146%0.462SS..Hα-helixtrans-63.3-46.6174.9-58.70000110.9P129 I131 Y135 L137 H163P129-T133 WeakPolarHBondContact O-CB 3.11Å; P129-T133 PolarHBondContact O-N 3.05Å; P129-T133 PolarHBondContact O-OG1 2.92Å; I131-T133 VanDerWaalsContact C-N 3.35Å; I131-T133 PolarHBondContact O-N 3.43Å; T133-Y135 PolarHBondContact O-N 3Å; T133-L137 HydrophobicContact CG2-CD1 3.48Å; T133-L137 VanDerWaalsContact CG2-CD1 3.48Å; T133-L137 HydrophobicContact CG2-CG 4.15Å; T133-L137 WeakPolarHBondContact O-CB 3.25Å; T133-L137 VanDerWaalsContact O-CD1 3.31Å; T133-L137 WeakPolarHBondContact O-CD1 3.35Å; T133-L137 WeakPolarHBondContact O-CG 3.47Å; T133-L137 PolarHBondContact O-N 3.15Å; T133-H163 WeakPolarHBondContact CG2-NE2 3.36Å
134F42Very low55.1Low126 Ų12689.7 Ų89.755%0.55345%0.447SS*.Hα-helixtrans-60.9-39.6179-165.5-103.2000113F130 I131 L138F130-F134 VanDerWaalsContact O-CB 3.25Å; F130-F134 WeakPolarHBondContact O-CB 3.41Å; F130-F134 PolarHBondContact O-N 2.96Å; I131-F134 PolarHBondContact O-N 3.48Å; F134-L138 HydrophobicContact CD1-CD1 3.53Å; F134-L138 HydrophobicContact CD2-CD1 4.47Å; F134-L138 HydrophobicContact CE1-CD1 3.26Å; F134-L138 HydrophobicContact CE2-CD1 4.25Å; F134-L138 HydrophobicContact CG-CD1 4.15Å; F134-L138 HydrophobicContact CZ-CD1 3.66Å; F134-L138 WeakPolarHBondContact O-CB 3.29Å; F134-L138 WeakPolarHBondContact O-CD1 3.07Å; F134-L138 PolarHBondContact O-N 2.6Å
135Y42.9Very low57.2Low94 Ų9484.2 Ų84.237%0.36941%0.412SS..Hα-helixtrans-80.1-37.2-179.3-82-97.5000113.8K105 M106 I131 L132 T133 L137 L138 E139K105-Y135 PolarHBondContact NZ-OH 3.45Å; M106-Y135 HydrophobicContact CE-CE1 4.27Å; I131-Y135 HydrophobicContact CG2-CD2 3.75Å; I131-Y135 HydrophobicContact CG2-CE2 3.79Å; I131-Y135 VanDerWaalsContact O-CD2 3.22Å; I131-Y135 WeakPolarHBondContact O-CD2 3.4Å; I131-Y135 PolarHBondContact O-N 3.16Å; L132-Y135 PolarHBondContact O-N 3.3Å; T133-Y135 PolarHBondContact O-N 3Å; Y135-L137 VanDerWaalsContact C-N 3.28Å; Y135-L137 PolarHBondContact O-N 3.45Å; Y135-L138 PolarHBondContact O-N 2.83Å; Y135-E139 PolarHBondContact O-N 2.73Å
136V44.2Very low59.4Low66 Ų6679.9 Ų79.940%0.439%0.394SS..Hα-helixtrans-66.9-32172.4170.60000111.3L132 L138 R224L132-V136 HydrophobicContact CD1-CG2 4.36Å; L132-V136 WeakPolarHBondContact O-CB 3.49Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 2.97Å; V136-L138 VanDerWaalsContact C-N 3.35Å; V136-R224 PolarHBondContact O-NH1 3.21Å
137L44.4Very low61.4Low40 Ų4077 Ų7721%0.20939%0.386CS..Hα-helixtrans-71.1-24.8172.9-72.1171.1000113.2T133 Y135 Q160 T162T133-L137 HydrophobicContact CG2-CD1 3.48Å; T133-L137 VanDerWaalsContact CG2-CD1 3.48Å; T133-L137 HydrophobicContact CG2-CG 4.15Å; T133-L137 WeakPolarHBondContact O-CB 3.25Å; T133-L137 VanDerWaalsContact O-CD1 3.31Å; T133-L137 WeakPolarHBondContact O-CD1 3.35Å; T133-L137 WeakPolarHBondContact O-CG 3.47Å; T133-L137 PolarHBondContact O-N 3.15Å; Y135-L137 VanDerWaalsContact C-N 3.28Å; Y135-L137 PolarHBondContact O-N 3.45Å; L137-Q160 VanDerWaalsContact O-CD 3.31Å; L137-Q160 VanDerWaalsContact O-CG 3.3Å; L137-Q160 WeakPolarHBondContact O-CG 3.09Å; L137-Q160 PolarHBondContact O-NE2 2.9Å; L137-T162 HydrophobicContact CD2-CG2 3.67Å
138L49.5Very low63.4Low97 Ų9772 Ų7251%0.50836%0.361SS..Hα-helixtrans-93.4-13.3-173.7-104.1146.1000114.8F134 Y135 V136 R140F134-L138 HydrophobicContact CD1-CD1 3.53Å; F134-L138 HydrophobicContact CD2-CD1 4.47Å; F134-L138 HydrophobicContact CE1-CD1 3.26Å; F134-L138 HydrophobicContact CE2-CD1 4.25Å; F134-L138 HydrophobicContact CG-CD1 4.15Å; F134-L138 HydrophobicContact CZ-CD1 3.66Å; F134-L138 WeakPolarHBondContact O-CB 3.29Å; F134-L138 WeakPolarHBondContact O-CD1 3.07Å; F134-L138 PolarHBondContact O-N 2.6Å; Y135-L138 PolarHBondContact O-N 2.83Å; V136-L138 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.81Å
139E66.6Low65Low94 Ų9471.8 Ų71.844%0.43937%0.373SS..  trans-74100.7172.7-89.2-169.9162.800110.2Y135 R224Y135-E139 PolarHBondContact O-N 2.73Å; E139-R224 VanDerWaalsContact CB-NH1 3.34Å; E139-R224 PolarHBondContact O-NH1 3.48Å; E139-R224 IonicContact OE2-CZ 2.65Å; E139-R224 IonicContact OE2-NH2 3.33Å; E139-R224 PolarHBondContact OE2-NH2 2.65Å
140R83.1Confident66.6Low63 Ų6372 Ų7224%0.23837%0.369CS..PPolyproline II helixtrans-86.8135168.6-59.1-171.6179.2155.9-7.8109.7L138 M158 M159 Q160 W169 P174L138-R140 PolarHBondContact O-N 2.81Å; R140-M158 HydrophobicContact CB-CB 4.1Å; R140-M158 HydrophobicContact CB-CE 3.46Å; R140-M158 VanDerWaalsContact CB-CE 3.46Å; R140-M159 CarbonylContact C-O 3.59Å; R140-M159 VanDerWaalsContact CA-O 3.23Å; R140-M159 WeakPolarHBondContact CA-O 3.1Å; R140-Q160 HydrophobicContact CG-CB 4.04Å; R140-Q160 HydrophobicContact CG-CG 4.23Å; R140-W169 VanDerWaalsContact NH2-CD2 3.31Å; R140-P174 PolarHBondContact NH1-O 2.81Å; R140-P174 PolarHBondContact NH2-O 2.78Å
141F85.2Confident68.6Low5 Ų564.7 Ų64.72%0.02234%0.338CS..EExtended strand (participates in β ladder)trans-91.2139.8177.2-60.6-83.9000110.5V143 M158 M159 I161 E217 Q220 I221 R224F141-V143 HydrophobicContact CB-CG1 4.3Å; F141-V143 PolarHBondContact O-N 3.14Å; F141-M158 CarbonylContact O-C 3.48Å; F141-M158 WeakPolarHBondContact O-CA 3.49Å; F141-M159 HydrophobicContact CB-CB 4.49Å; F141-M159 PolarHBondContact N-O 3.48Å; F141-M159 PolarHBondContact O-N 3Å; F141-I161 HydrophobicContact CD2-CD1 3.65Å; F141-I161 HydrophobicContact CE2-CD1 3.55Å; F141-E217 HydrophobicContact CD1-CB 3.71Å; F141-E217 HydrophobicContact CD1-CG 4.28Å; F141-E217 WeakPolarHBondContact CD1-OE2 3.29Å; F141-E217 HydrophobicContact CE1-CB 4.18Å; F141-Q220 HydrophobicContact CE1-CB 3.79Å; F141-Q220 HydrophobicContact CZ-CB 4.06Å; F141-I221 HydrophobicContact CB-CD1 3.81Å; F141-I221 HydrophobicContact CB-CG1 4.01Å; F141-I221 HydrophobicContact CD1-CD1 4.24Å; F141-I221 HydrophobicContact CD1-CG1 3.78Å; F141-I221 HydrophobicContact CD2-CD1 4.28Å; F141-I221 HydrophobicContact CD2-CG1 3.54Å; F141-I221 HydrophobicContact CE1-CG1 3.99Å; F141-I221 HydrophobicContact CE2-CG1 3.76Å; F141-I221 HydrophobicContact CG-CD1 3.87Å; F141-I221 HydrophobicContact CG-CG1 3.49Å; F141-I221 VanDerWaalsContact CG-CG1 3.49Å; F141-I221 HydrophobicContact CZ-CG1 3.92Å; F141-R224 VanDerWaalsContact CE2-CZ 3.41Å; F141-R224 VanDerWaalsContact CE2-NH1 3.34Å
142N85.4Confident70.4Confident92 Ų9268.3 Ų68.349%0.49236%0.359SS..EExtended strand (participates in β ladder)trans-77.9123.7172-68.1-88.6000108M158 T215 E217N142-M158 HydrophobicContact CB-SD 4.36Å; N142-M158 VanDerWaalsContact CG-SD 3.56Å; N142-M158 PolarHBondContact OD1-SD 2.92Å; N142-T215 PolarHBondContact O-OG1 2.91Å; N142-E217 PolarHBondContact N-OE2 3.05Å
143V89.8Confident72.2Confident7 Ų768 Ų684%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-134.7152.7-178.8-61.80000110.2F141 G157 M159 L168 F213 T215 I221F141-V143 HydrophobicContact CB-CG1 4.3Å; F141-V143 PolarHBondContact O-N 3.14Å; V143-G157 WeakPolarHBondContact CG2-O 3.15Å; V143-G157 PolarHBondContact N-O 3.41Å; V143-G157 PolarHBondContact O-N 3.16Å; V143-G157 VanDerWaalsContact O-O 3.05Å; V143-M159 HydrophobicContact CG1-CB 3.82Å; V143-M159 HydrophobicContact CG1-SD 4.5Å; V143-M159 HydrophobicContact CG2-CB 3.8Å; V143-L168 HydrophobicContact CG2-CD1 3.76Å; V143-F213 HydrophobicContact CB-CB 4.13Å; V143-F213 HydrophobicContact CB-CD1 3.98Å; V143-F213 HydrophobicContact CB-CG 4.47Å; V143-F213 HydrophobicContact CG1-CB 4.36Å; V143-F213 HydrophobicContact CG2-CD1 3.71Å; V143-F213 HydrophobicContact CG2-CE1 4.33Å; V143-T215 HydrophobicContact CG1-CG2 4.26Å; V143-I221 HydrophobicContact CG1-CD1 4.05Å
144F88.9Confident74.4Confident74 Ų7472.7 Ų72.733%0.32537%0.369SS..EExtended strand (participates in β ladder)trans-113.4111.8167.4-173-77.8000108.8L146 G155 E156 F213 Q214F144-L146 HydrophobicContact CD1-CD2 4.02Å; F144-L146 HydrophobicContact CE1-CD2 4.11Å; F144-L146 PolarHBondContact O-N 2.82Å; F144-G155 CarbonylContact C-O 3.56Å; F144-G155 WeakPolarHBondContact CA-O 3.22Å; F144-E156 HydrophobicContact CD2-CG 3.73Å; F144-E156 HydrophobicContact CE2-CG 4.28Å; F144-F213 CarbonylContact O-C 3.54Å; F144-F213 WeakPolarHBondContact O-CA 3.47Å; F144-Q214 HydrophobicContact CB-CB 4.19Å; F144-Q214 PolarHBondContact N-O 3.36Å; F144-Q214 PolarHBondContact O-N 3.07Å
145L90.6Very high76.5Confident1 Ų167.4 Ų67.41%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-74.8121.1176.217459.6000109.4L151 I153 G155 L168 F213L145-L151 HydrophobicContact CD2-CD2 3.82Å; L145-I153 VanDerWaalsContact CD2-O 3.25Å; L145-I153 WeakPolarHBondContact CD2-O 3.08Å; L145-G155 PolarHBondContact N-O 2.96Å; L145-G155 PolarHBondContact O-N 2.95Å; L145-L168 HydrophobicContact CB-CD2 4.49Å; L145-L168 HydrophobicContact CD2-CD2 3.78Å; L145-F213 HydrophobicContact CB-CD1 4.08Å; L145-F213 HydrophobicContact CB-CE1 3.95Å; L145-F213 HydrophobicContact CD1-CD1 4.15Å; L145-F213 HydrophobicContact CD1-CE1 3.69Å; L145-F213 HydrophobicContact CD1-CE2 4.31Å; L145-F213 HydrophobicContact CD1-CZ 3.78Å; L145-F213 HydrophobicContact CG-CE1 4.25Å
146L87.6Confident78.4Confident41 Ų4168.9 Ų68.922%0.21536%0.36CS..PPolyproline II helixtrans-73148173.9-63.6-178.2000110.9F144 C148 R195 T212F144-L146 HydrophobicContact CD1-CD2 4.02Å; F144-L146 HydrophobicContact CE1-CD2 4.11Å; F144-L146 PolarHBondContact O-N 2.82Å; L146-C148 PolarHBondContact O-N 3.45Å; L146-R195 VanDerWaalsContact CD1-NH1 3.32Å; L146-T212 HydrophobicContact CD1-CG2 3.58Å; L146-T212 HydrophobicContact CG-CG2 4.32Å; L146-T212 PolarHBondContact N-O 2.81Å
147P87.5Confident80.3Confident93 Ų9365.8 Ų65.860%0.60434%0.342SS*.PPolyproline II helixtrans-55.2136.8175.1-23.732.9000112Y154P147-Y154 HydrophobicContact CG-CD2 4.16Å; P147-Y154 HydrophobicContact CG-CG 4.08Å
148C84.9Confident82.3Confident23 Ų2365.7 Ų65.716%0.15534%0.341CS..BIsolated β-bridgetrans-142150.8176.656.60000110.4L146 N150 L151L146-C148 PolarHBondContact O-N 3.45Å; C148-N150 PolarHBondContact O-N 2.84Å; C148-L151 PolarHBondContact O-N 2.92Å; C148-L151 VanDerWaalsContact O-O 3.12Å
149P79Confident84.3Confident128 Ų12861.1 Ų61.183%0.83132%0.316SS*.THydrogen-bonded Turntrans-66.1-24.3-169.123.2-33.4000114.1
150N76.1Confident85.4Confident89 Ų8957.8 Ų57.848%0.47630%0.301SS..THydrogen-bonded Turntrans-95.92.1-173.1-57.8-27.6000112.9C148 E208C148-N150 PolarHBondContact O-N 2.84Å; N150-E208 PolarHBondContact ND2-O 3.44Å
151L81.7Confident85.6Confident22 Ų2255 Ų5512%0.11529%0.291CS..BIsolated β-bridgetrans-146.9115.4-177-175.660.3000110.7L145 C148 I153 I179 W181 Y211L145-L151 HydrophobicContact CD2-CD2 3.82Å; C148-L151 PolarHBondContact O-N 2.92Å; C148-L151 VanDerWaalsContact O-O 3.12Å; L151-I153 HydrophobicContact CD1-CB 4.11Å; L151-I153 HydrophobicContact CD1-CD1 4.08Å; L151-I153 HydrophobicContact CD1-CG1 4.04Å; L151-I153 HydrophobicContact CD2-CB 4.4Å; L151-I153 HydrophobicContact CG-CB 3.95Å; L151-I153 HydrophobicContact CG-CG1 4.4Å; L151-I153 PolarHBondContact O-N 2.82Å; L151-I179 HydrophobicContact CD1-CD1 3.62Å; L151-I179 HydrophobicContact CD2-CD1 3.72Å; L151-I179 HydrophobicContact CG-CD1 4.32Å; L151-W181 HydrophobicContact CD2-CZ2 4.37Å; L151-Y211 HydrophobicContact CB-CE1 4.2Å; L151-Y211 HydrophobicContact CD2-CD1 4.29Å; L151-Y211 HydrophobicContact CD2-CE1 3.9Å
152D81.6Confident85.6Confident156 Ų15655.7 Ų55.783%0.83430%0.296SS*.SBendtrans-77.619.3177.9-161.730.7000113.1
153I83.4Confident85.4Confident62 Ų6256 Ų5632%0.31829%0.294SS..  trans-119.3124.2179.9-53.8176.8000107.4L145 L151 L178L145-I153 VanDerWaalsContact CD2-O 3.25Å; L145-I153 WeakPolarHBondContact CD2-O 3.08Å; L151-I153 HydrophobicContact CD1-CB 4.11Å; L151-I153 HydrophobicContact CD1-CD1 4.08Å; L151-I153 HydrophobicContact CD1-CG1 4.04Å; L151-I153 HydrophobicContact CD2-CB 4.4Å; L151-I153 HydrophobicContact CG-CB 3.95Å; L151-I153 HydrophobicContact CG-CG1 4.4Å; L151-I153 PolarHBondContact O-N 2.82Å; I153-L178 HydrophobicContact CG2-CD1 4.27Å
154Y88.7Confident85.1Confident154 Ų15462 Ų6260%0.60432%0.322SS*.  trans-148.5163177.362.8-86.8000110.1P147P147-Y154 HydrophobicContact CG-CD2 4.16Å; P147-Y154 HydrophobicContact CG-CG 4.08Å
155G84.6Confident85.2Confident14 Ų1459.8 Ų59.814%0.14431%0.313CS..EExtended strand (participates in β ladder)trans111-161.317900000114.4F144 L145F144-G155 CarbonylContact C-O 3.56Å; F144-G155 WeakPolarHBondContact CA-O 3.22Å; L145-G155 PolarHBondContact N-O 2.96Å; L145-G155 PolarHBondContact O-N 2.95Å
156E83.6Confident85.3Confident126 Ų12659.8 Ų59.859%0.58931%0.313SS*.EExtended strand (participates in β ladder)trans-69.2135.3-176.3-65.9-176.3169.200112F144 I171F144-E156 HydrophobicContact CD2-CG 3.73Å; F144-E156 HydrophobicContact CE2-CG 4.28Å; E156-I171 HydrophobicContact CB-CD1 3.76Å; E156-I171 HydrophobicContact CB-CG2 4.27Å; E156-I171 WeakPolarHBondContact OE2-CD1 3.36Å
157G84.5Confident85.4Confident1 Ų159.6 Ų59.61%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-156170.3178.600000112.3V143 W169V143-G157 WeakPolarHBondContact CG2-O 3.15Å; V143-G157 PolarHBondContact N-O 3.41Å; V143-G157 PolarHBondContact O-N 3.16Å; V143-G157 VanDerWaalsContact O-O 3.05Å; G157-W169 WeakPolarHBondContact CA-O 3.25Å
158M86.8Confident85.6Confident38 Ų3855.3 Ų55.319%0.18728%0.282CS..EExtended strand (participates in β ladder)trans-110.3111.4179.3-68.5-65.6-74.300109.3R140 F141 N142 W169R140-M158 HydrophobicContact CB-CB 4.1Å; R140-M158 HydrophobicContact CB-CE 3.46Å; R140-M158 VanDerWaalsContact CB-CE 3.46Å; F141-M158 CarbonylContact O-C 3.48Å; F141-M158 WeakPolarHBondContact O-CA 3.49Å; N142-M158 HydrophobicContact CB-SD 4.36Å; N142-M158 VanDerWaalsContact CG-SD 3.56Å; N142-M158 PolarHBondContact OD1-SD 2.92Å; M158-W169 HydrophobicContact CB-CB 4.11Å; M158-W169 PolarHBondContact N-O 3.35Å; M158-W169 PolarHBondContact O-N 3.36Å
159M91.3Very high85.7Confident0 Ų055.8 Ų55.80%028%0.28CS..EExtended strand (participates in β ladder)trans-88.2130.1179.7-179.4176-80.600111.1R140 F141 V143 I161 I166 Y167 F196 F198 F213 I221R140-M159 CarbonylContact C-O 3.59Å; R140-M159 VanDerWaalsContact CA-O 3.23Å; R140-M159 WeakPolarHBondContact CA-O 3.1Å; F141-M159 HydrophobicContact CB-CB 4.49Å; F141-M159 PolarHBondContact N-O 3.48Å; F141-M159 PolarHBondContact O-N 3Å; V143-M159 HydrophobicContact CG1-CB 3.82Å; V143-M159 HydrophobicContact CG1-SD 4.5Å; V143-M159 HydrophobicContact CG2-CB 3.8Å; M159-I161 HydrophobicContact CG-CD1 3.99Å; M159-I161 HydrophobicContact SD-CD1 4.24Å; M159-I166 HydrophobicContact CE-CG2 4.17Å; M159-I166 HydrophobicContact CG-CG2 4.03Å; M159-I166 HydrophobicContact SD-CG2 4.21Å; M159-Y167 CarbonylContact C-O 3.53Å; M159-Y167 WeakPolarHBondContact CA-O 3.12Å; M159-F196 HydrophobicContact CE-CD1 4.26Å; M159-F196 HydrophobicContact CE-CE1 4.37Å; M159-F196 HydrophobicContact SD-CD1 4.11Å; M159-F196 HydrophobicContact SD-CE1 4.15Å; M159-F198 HydrophobicContact CE-CE1 4.18Å; M159-F213 HydrophobicContact CE-CD1 3.57Å; M159-F213 HydrophobicContact CE-CD2 3.56Å; M159-F213 HydrophobicContact CE-CE1 3.46Å; M159-F213 VanDerWaalsContact CE-CE1 3.46Å; M159-F213 HydrophobicContact CE-CE2 3.51Å; M159-F213 HydrophobicContact CE-CG 3.6Å; M159-F213 HydrophobicContact CE-CZ 3.43Å; M159-F213 VanDerWaalsContact CE-CZ 3.43Å; M159-I221 HydrophobicContact SD-CD1 4.47Å; M159-I221 HydrophobicContact SD-CG2 3.81Å
160Q88.2Confident85.7Confident24 Ų2451.6 Ų51.611%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-122.5131176.1-169.1-179.1-12.200109.7L137 R140 T162 I166 Y167 W169L137-Q160 VanDerWaalsContact O-CD 3.31Å; L137-Q160 VanDerWaalsContact O-CG 3.3Å; L137-Q160 WeakPolarHBondContact O-CG 3.09Å; L137-Q160 PolarHBondContact O-NE2 2.9Å; R140-Q160 HydrophobicContact CG-CB 4.04Å; R140-Q160 HydrophobicContact CG-CG 4.23Å; Q160-T162 HydrophobicContact CG-CG2 4.44Å; Q160-I166 CarbonylContact O-C 3.52Å; Q160-I166 WeakPolarHBondContact O-CA 3.5Å; Q160-Y167 PolarHBondContact N-O 3.26Å; Q160-Y167 PolarHBondContact O-N 3.49Å; Q160-W169 VanDerWaalsContact OE1-CE2 3.31Å
161I87.3Confident85.7Confident5 Ų549.4 Ų49.43%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-110.7123.7177.3-57.893.6000108.2F141 M159 I166 I221 R224 V225F141-I161 HydrophobicContact CD2-CD1 3.65Å; F141-I161 HydrophobicContact CE2-CD1 3.55Å; M159-I161 HydrophobicContact CG-CD1 3.99Å; M159-I161 HydrophobicContact SD-CD1 4.24Å; I161-I166 HydrophobicContact CG1-CG1 4.44Å; I161-I221 HydrophobicContact CD1-CG1 4.47Å; I161-I221 HydrophobicContact CD1-CG2 4Å; I161-R224 HydrophobicContact CB-CB 4.27Å; I161-R224 HydrophobicContact CG2-CB 4.14Å; I161-V225 HydrophobicContact CG1-CG2 3.83Å; I161-V225 HydrophobicContact CG2-CG2 3.98Å
162T85.3Confident85.2Confident20 Ų2056.5 Ų56.512%0.12327%0.271CS..  trans-109.3-174176.867.50000111.2L137 Q160 E164 N165 Y167 L183 S228L137-T162 HydrophobicContact CD2-CG2 3.67Å; Q160-T162 HydrophobicContact CG-CG2 4.44Å; T162-E164 PolarHBondContact O-N 2.8Å; T162-N165 PolarHBondContact N-O 2.92Å; T162-N165 WeakPolarHBondContact OG1-CA 3.32Å; T162-N165 PolarHBondContact OG1-N 2.81Å; T162-N165 PolarHBondContact OG1-O 2.71Å; T162-Y167 HydrophobicContact CG2-CD2 3.82Å; T162-Y167 HydrophobicContact CG2-CE2 3.5Å; T162-Y167 VanDerWaalsContact CG2-CE2 3.5Å; T162-L183 WeakPolarHBondContact O-CD1 3.27Å; T162-S228 PolarHBondContact O-OG 2.97Å; T162-S228 VanDerWaalsContact O-OG 3.1Å
163H81.3Confident84.6Confident97 Ų9752.6 Ų52.645%0.44925%0.25SS..SBendtrans-70.6-21.5177-62.1-66.2000113.1T133 I232T133-H163 WeakPolarHBondContact CG2-NE2 3.36Å; H163-I232 VanDerWaalsContact O-CD1 3.31Å; H163-I232 WeakPolarHBondContact O-CD1 3.29Å; H163-I232 WeakPolarHBondContact O-CG1 3.5Å
164E84.6Confident83.8Confident135 Ų13553.1 Ų53.163%0.63126%0.257SS*.SBendtrans-124.3-26.1-174.3-66.1177.1-179.200112.9T162 L183T162-E164 PolarHBondContact O-N 2.8Å; E164-L183 WeakPolarHBondContact O-CB 3.42Å; E164-L183 PolarHBondContact O-N 3.2Å
165N90.6Very high82.9Confident27 Ų2756.6 Ų56.614%0.14427%0.269CS..EExtended strand (participates in β ladder)trans-140.2149.7-167.8-63.2-70.5000112.9T162 Y167 T180 W181 P182T162-N165 PolarHBondContact N-O 2.92Å; T162-N165 WeakPolarHBondContact OG1-CA 3.32Å; T162-N165 PolarHBondContact OG1-N 2.81Å; T162-N165 PolarHBondContact OG1-O 2.71Å; N165-Y167 HydrophobicContact CB-CD2 4.48Å; N165-Y167 HydrophobicContact CB-CE1 3.82Å; N165-Y167 HydrophobicContact CB-CE2 3.79Å; N165-Y167 VanDerWaalsContact CB-CZ 3.41Å; N165-Y167 WeakPolarHBondContact CB-OH 3.39Å; N165-Y167 PolarHBondContact ND2-OH 3.03Å; N165-Y167 VanDerWaalsContact ND2-OH 3.14Å; N165-T180 HydrophobicContact CB-CG2 4Å; N165-W181 CarbonylContact C-O 3.01Å; N165-W181 WeakPolarHBondContact CA-O 3.45Å; N165-P182 WeakPolarHBondContact OD1-CA 3.33Å
166I92.3Very high82.6Confident0 Ų058.6 Ų58.60%028%0.279CS..EExtended strand (participates in β ladder)trans-97.9131.7161.4-56.1179.2000107.8M159 Q160 I161 T180 W181 L183 L186 F198 V225M159-I166 HydrophobicContact CE-CG2 4.17Å; M159-I166 HydrophobicContact CG-CG2 4.03Å; M159-I166 HydrophobicContact SD-CG2 4.21Å; Q160-I166 CarbonylContact O-C 3.52Å; Q160-I166 WeakPolarHBondContact O-CA 3.5Å; I161-I166 HydrophobicContact CG1-CG1 4.44Å; I166-T180 CarbonylContact O-C 3.49Å; I166-T180 WeakPolarHBondContact O-CA 3.38Å; I166-W181 HydrophobicContact CB-CB 4.36Å; I166-W181 HydrophobicContact CB-CE3 4.3Å; I166-W181 HydrophobicContact CG2-CE3 4.01Å; I166-W181 HydrophobicContact CG2-CZ3 4.46Å; I166-W181 PolarHBondContact N-O 2.97Å; I166-W181 PolarHBondContact O-N 3.02Å; I166-L183 HydrophobicContact CD1-CD2 3.84Å; I166-L183 HydrophobicContact CG1-CD2 3.58Å; I166-L183 HydrophobicContact CG1-CG 4.33Å; I166-L186 HydrophobicContact CD1-CD1 3.79Å; I166-F198 HydrophobicContact CD1-CD1 4.42Å; I166-F198 HydrophobicContact CD1-CE1 4.3Å; I166-V225 HydrophobicContact CD1-CG1 4.38Å; I166-V225 HydrophobicContact CD1-CG2 3.83Å; I166-V225 HydrophobicContact CG1-CG2 4.4Å
167Y90.8Very high82.7Confident37 Ų3757 Ų5715%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-118.6139.3175.9-57.7-67.9000110.6M159 Q160 T162 N165 W169 K177 T180M159-Y167 CarbonylContact C-O 3.53Å; M159-Y167 WeakPolarHBondContact CA-O 3.12Å; Q160-Y167 PolarHBondContact N-O 3.26Å; Q160-Y167 PolarHBondContact O-N 3.49Å; T162-Y167 HydrophobicContact CG2-CD2 3.82Å; T162-Y167 HydrophobicContact CG2-CE2 3.5Å; T162-Y167 VanDerWaalsContact CG2-CE2 3.5Å; N165-Y167 HydrophobicContact CB-CD2 4.48Å; N165-Y167 HydrophobicContact CB-CE1 3.82Å; N165-Y167 HydrophobicContact CB-CE2 3.79Å; N165-Y167 VanDerWaalsContact CB-CZ 3.41Å; N165-Y167 WeakPolarHBondContact CB-OH 3.39Å; N165-Y167 PolarHBondContact ND2-OH 3.03Å; N165-Y167 VanDerWaalsContact ND2-OH 3.14Å; Y167-W169 HydrophobicContact CG-CZ2 4.5Å; Y167-K177 HydrophobicContact CD1-CD 3.62Å; Y167-K177 HydrophobicContact CD1-CG 4.32Å; Y167-K177 HydrophobicContact CE1-CD 4.05Å; Y167-K177 HydrophobicContact CG-CD 4.48Å; Y167-T180 HydrophobicContact CD1-CG2 3.64Å; Y167-T180 WeakPolarHBondContact CD1-OG1 3.31Å; Y167-T180 HydrophobicContact CE1-CG2 3.31Å; Y167-T180 WeakPolarHBondContact CE1-OG1 3.01Å
168L90.5Very high82.9Confident4 Ų459.5 Ų59.52%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-104.9126.5162.9-16965.7000109V143 L145 L178 I179 W181 F213V143-L168 HydrophobicContact CG2-CD1 3.76Å; L145-L168 HydrophobicContact CB-CD2 4.49Å; L145-L168 HydrophobicContact CD2-CD2 3.78Å; L168-L178 HydrophobicContact CB-CB 4.49Å; L168-L178 HydrophobicContact CD2-CD1 4.24Å; L168-L178 HydrophobicContact CG-CD1 4.2Å; L168-L178 WeakPolarHBondContact O-CB 3.15Å; L168-L178 PolarHBondContact O-N 3.49Å; L168-I179 HydrophobicContact CB-CG2 3.61Å; L168-I179 HydrophobicContact CD2-CG2 4.02Å; L168-I179 HydrophobicContact CG-CG2 4.45Å; L168-I179 PolarHBondContact N-O 3.36Å; L168-I179 PolarHBondContact O-N 3Å; L168-W181 HydrophobicContact CB-CH2 4.18Å; L168-W181 HydrophobicContact CB-CZ3 3.88Å; L168-W181 HydrophobicContact CD2-CH2 4.35Å; L168-F213 HydrophobicContact CD1-CE1 4.1Å; L168-F213 HydrophobicContact CD2-CE1 4.39Å
169W87.4Confident83Confident32 Ų3258.5 Ų58.512%0.12128%0.278CS..EExtended strand (participates in β ladder)trans-110.2151.2177.9-58.286.5000110.8R140 G157 M158 Q160 Y167 R175 T176 K177R140-W169 VanDerWaalsContact NH2-CD2 3.31Å; G157-W169 WeakPolarHBondContact CA-O 3.25Å; M158-W169 HydrophobicContact CB-CB 4.11Å; M158-W169 PolarHBondContact N-O 3.35Å; M158-W169 PolarHBondContact O-N 3.36Å; Q160-W169 VanDerWaalsContact OE1-CE2 3.31Å; Y167-W169 HydrophobicContact CG-CZ2 4.5Å; W169-R175 WeakPolarHBondContact CZ3-O 3.25Å; W169-T176 WeakPolarHBondContact CA-O 3.25Å; W169-K177 HydrophobicContact CD2-CB 4.48Å; W169-K177 HydrophobicContact CE3-CB 3.94Å; W169-K177 HydrophobicContact CH2-CB 4.17Å; W169-K177 HydrophobicContact CZ3-CB 3.76Å
170D78.9Confident83Confident41 Ų4159.7 Ų59.722%0.21929%0.285CS..EExtended strand (participates in β ladder)trans-66.7135.6174.7-170.3-61.9000110.4H172 N173 T176 L178D170-H172 VanDerWaalsContact OD1-CA 3.31Å; D170-H172 WeakPolarHBondContact OD1-CA 3.3Å; D170-H172 VanDerWaalsContact OD1-CB 3.31Å; D170-H172 WeakPolarHBondContact OD1-CB 3.46Å; D170-H172 IonicContact OD1-CD2 3.32Å; D170-H172 IonicContact OD1-CG 2.62Å; D170-H172 PolarHBondContact OD1-N 3.24Å; D170-N173 CarbonylContact O-C 3.57Å; D170-N173 PolarHBondContact OD1-N 3.01Å; D170-T176 HydrophobicContact CB-CG2 4.39Å; D170-T176 PolarHBondContact N-O 3.18Å; D170-L178 HydrophobicContact CB-CD1 4.35Å; D170-L178 HydrophobicContact CB-CD2 4Å; D170-L178 HydrophobicContact CB-CG 4.12Å
171I75.6Confident83.3Confident42 Ų4258.5 Ų58.522%0.21528%0.28CS..SBendtrans-73.1-31.8-180-171.1166.7000112.8E156E156-I171 HydrophobicContact CB-CD1 3.76Å; E156-I171 HydrophobicContact CB-CG2 4.27Å; E156-I171 WeakPolarHBondContact OE2-CD1 3.36Å
172H71Confident83.5Confident171 Ų17159.8 Ų59.879%0.79229%0.288SS*.SBendtrans-83-34178.3-57.2-56.2000111.6D170D170-H172 VanDerWaalsContact OD1-CA 3.31Å; D170-H172 WeakPolarHBondContact OD1-CA 3.3Å; D170-H172 VanDerWaalsContact OD1-CB 3.31Å; D170-H172 WeakPolarHBondContact OD1-CB 3.46Å; D170-H172 IonicContact OD1-CD2 3.32Å; D170-H172 IonicContact OD1-CG 2.62Å; D170-H172 PolarHBondContact OD1-N 3.24Å
173N70.9Confident83.8Confident75 Ų7558.9 Ų58.940%0.40128%0.283SS..  trans-122.995.8175.5-167.3-18.5000112.1D170 R175 T176D170-N173 CarbonylContact O-C 3.57Å; D170-N173 PolarHBondContact OD1-N 3.01Å; N173-R175 PolarHBondContact O-N 2.65Å; N173-R175 PolarHBondContact OD1-N 3.15Å; N173-R175 VanDerWaalsContact OD1-N 3.16Å; N173-T176 PolarHBondContact ND2-OG1 3.23Å; N173-T176 VanDerWaalsContact ND2-OG1 3.15Å; N173-T176 PolarHBondContact O-N 2.82Å
174P65.5Low84.2Confident72 Ų7258.7 Ų58.747%0.46829%0.291SS..THydrogen-bonded Turntrans-68.1-2.5-17628-35.3000114.3R140R140-P174 PolarHBondContact NH1-O 2.81Å; R140-P174 PolarHBondContact NH2-O 2.78Å
175R70.4Confident84.5Confident227 Ų22753.4 Ų53.486%0.85727%0.269SS*.THydrogen-bonded Turntrans-99-10.2172.5-63.7-177.3-178.9166.60.2112.8W169 N173W169-R175 WeakPolarHBondContact CZ3-O 3.25Å; N173-R175 PolarHBondContact O-N 2.65Å; N173-R175 PolarHBondContact OD1-N 3.15Å; N173-R175 VanDerWaalsContact OD1-N 3.16Å
176T78.1Confident84.6Confident56 Ų5653.1 Ų53.134%0.34427%0.268SS..  trans-91.1117.2179.4-58.60000110W169 D170 N173W169-T176 WeakPolarHBondContact CA-O 3.25Å; D170-T176 HydrophobicContact CB-CG2 4.39Å; D170-T176 PolarHBondContact N-O 3.18Å; N173-T176 PolarHBondContact ND2-OG1 3.23Å; N173-T176 VanDerWaalsContact ND2-OG1 3.15Å; N173-T176 PolarHBondContact O-N 2.82Å
177K86.1Confident84.6Confident93 Ų9358.7 Ų58.740%0.40429%0.289SS..EExtended strand (participates in β ladder)trans-85.3124.8173.2-171.2-176.3-64.1-1740108.5Y167 W169 T180Y167-K177 HydrophobicContact CD1-CD 3.62Å; Y167-K177 HydrophobicContact CD1-CG 4.32Å; Y167-K177 HydrophobicContact CE1-CD 4.05Å; Y167-K177 HydrophobicContact CG-CD 4.48Å; W169-K177 HydrophobicContact CD2-CB 4.48Å; W169-K177 HydrophobicContact CE3-CB 3.94Å; W169-K177 HydrophobicContact CH2-CB 4.17Å; W169-K177 HydrophobicContact CZ3-CB 3.76Å; K177-T180 WeakPolarHBondContact CD-OG1 3.48Å
178L87.3Confident84.7Confident54 Ų5463.7 Ų63.728%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-83.3-50.5178.2-62.9177000110.5I153 L168 D170I153-L178 HydrophobicContact CG2-CD1 4.27Å; L168-L178 HydrophobicContact CB-CB 4.49Å; L168-L178 HydrophobicContact CD2-CD1 4.24Å; L168-L178 HydrophobicContact CG-CD1 4.2Å; L168-L178 WeakPolarHBondContact O-CB 3.15Å; L168-L178 PolarHBondContact O-N 3.49Å; D170-L178 HydrophobicContact CB-CD1 4.35Å; D170-L178 HydrophobicContact CB-CD2 4Å; D170-L178 HydrophobicContact CB-CG 4.12Å
179I89.8Confident85Confident16 Ų1666.1 Ų66.18%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-157.1155.6-175.2-168.8161.4000111.8L151 L168 W181L151-I179 HydrophobicContact CD1-CD1 3.62Å; L151-I179 HydrophobicContact CD2-CD1 3.72Å; L151-I179 HydrophobicContact CG-CD1 4.32Å; L168-I179 HydrophobicContact CB-CG2 3.61Å; L168-I179 HydrophobicContact CD2-CG2 4.02Å; L168-I179 HydrophobicContact CG-CG2 4.45Å; L168-I179 PolarHBondContact N-O 3.36Å; L168-I179 PolarHBondContact O-N 3Å; I179-W181 HydrophobicContact CB-CH2 4.35Å; I179-W181 HydrophobicContact CB-CZ2 4.37Å; I179-W181 HydrophobicContact CD1-CZ2 3.8Å; I179-W181 HydrophobicContact CG1-CH2 4.43Å; I179-W181 HydrophobicContact CG1-CZ2 3.99Å; I179-W181 HydrophobicContact CG2-CE3 4.3Å; I179-W181 HydrophobicContact CG2-CH2 3.13Å; I179-W181 HydrophobicContact CG2-CZ2 3.51Å; I179-W181 HydrophobicContact CG2-CZ3 3.58Å
180T91.9Very high85.3Confident25 Ų2566 Ų6615%0.15333%0.325CS..EExtended strand (participates in β ladder)trans-126.7138180-53.70000110.3N165 I166 Y167 K177N165-T180 HydrophobicContact CB-CG2 4Å; I166-T180 CarbonylContact O-C 3.49Å; I166-T180 WeakPolarHBondContact O-CA 3.38Å; Y167-T180 HydrophobicContact CD1-CG2 3.64Å; Y167-T180 WeakPolarHBondContact CD1-OG1 3.31Å; Y167-T180 HydrophobicContact CE1-CG2 3.31Å; Y167-T180 WeakPolarHBondContact CE1-OG1 3.01Å; K177-T180 WeakPolarHBondContact CD-OG1 3.48Å
181W93.1Very high85.9Confident0 Ų070.2 Ų70.20%034%0.338CS..EExtended strand (participates in β ladder)trans-124.9115.5168.4-58.9-83.4000110.1L151 N165 I166 L168 I179 L183 L186 F198 S206 Y211 F213L151-W181 HydrophobicContact CD2-CZ2 4.37Å; N165-W181 CarbonylContact C-O 3.01Å; N165-W181 WeakPolarHBondContact CA-O 3.45Å; I166-W181 HydrophobicContact CB-CB 4.36Å; I166-W181 HydrophobicContact CB-CE3 4.3Å; I166-W181 HydrophobicContact CG2-CE3 4.01Å; I166-W181 HydrophobicContact CG2-CZ3 4.46Å; I166-W181 PolarHBondContact N-O 2.97Å; I166-W181 PolarHBondContact O-N 3.02Å; L168-W181 HydrophobicContact CB-CH2 4.18Å; L168-W181 HydrophobicContact CB-CZ3 3.88Å; L168-W181 HydrophobicContact CD2-CH2 4.35Å; I179-W181 HydrophobicContact CB-CH2 4.35Å; I179-W181 HydrophobicContact CB-CZ2 4.37Å; I179-W181 HydrophobicContact CD1-CZ2 3.8Å; I179-W181 HydrophobicContact CG1-CH2 4.43Å; I179-W181 HydrophobicContact CG1-CZ2 3.99Å; I179-W181 HydrophobicContact CG2-CE3 4.3Å; I179-W181 HydrophobicContact CG2-CH2 3.13Å; I179-W181 HydrophobicContact CG2-CZ2 3.51Å; I179-W181 HydrophobicContact CG2-CZ3 3.58Å; W181-L183 PolarHBondContact O-N 3.48Å; W181-L186 HydrophobicContact CB-CD2 4.43Å; W181-F198 HydrophobicContact CB-CE2 4.23Å; W181-F198 HydrophobicContact CB-CZ 4.41Å; W181-F198 AromaticContact CD1-CE2 3.84Å; W181-F198 AromaticContact CD2-CE2 3.83Å; W181-F198 HydrophobicContact CD2-CE2 3.83Å; W181-F198 AromaticContact CD2-CZ 3.47Å; W181-F198 HydrophobicContact CD2-CZ 3.47Å; W181-F198 VanDerWaalsContact CD2-CZ 3.47Å; W181-F198 AromaticContact CE2-CE2 3.98Å; W181-F198 AromaticContact CE2-CZ 3.74Å; W181-F198 HydrophobicContact CE3-CE1 4.48Å; W181-F198 HydrophobicContact CE3-CE2 4.43Å; W181-F198 AromaticContact CE3-CZ 3.64Å; W181-F198 HydrophobicContact CE3-CZ 3.64Å; W181-F198 AromaticContact CG-CE2 3.71Å; W181-F198 HydrophobicContact CG-CE2 3.71Å; W181-F198 AromaticContact CG-CZ 3.83Å; W181-F198 HydrophobicContact CG-CZ 3.83Å; W181-F198 HydrophobicContact CH2-CZ 4.22Å; W181-F198 HydrophobicContact CZ2-CZ 4.12Å; W181-F198 AromaticContact CZ3-CZ 3.99Å; W181-F198 HydrophobicContact CZ3-CZ 3.99Å; W181-F198 AromaticContact NE1-CE2 3.99Å; W181-S206 VanDerWaalsContact CD1-OG 3.29Å; W181-S206 VanDerWaalsContact NE1-CB 3.34Å; W181-S206 PolarHBondContact NE1-OG 3.41Å; W181-Y211 AromaticContact CZ2-CD1 3.79Å; W181-Y211 HydrophobicContact CZ2-CD1 3.79Å; W181-Y211 HydrophobicContact CZ2-CD2 4.47Å; W181-Y211 AromaticContact CZ2-CE1 3.99Å; W181-Y211 HydrophobicContact CZ2-CE1 3.99Å; W181-Y211 HydrophobicContact CZ2-CG 4.06Å; W181-Y211 AromaticContact NE1-CD2 3.88Å; W181-Y211 AromaticContact NE1-CE2 3.55Å; W181-Y211 AromaticContact NE1-CZ 3.71Å; W181-F213 HydrophobicContact CH2-CE1 4.44Å; W181-F213 AromaticContact CH2-CZ 3.75Å; W181-F213 HydrophobicContact CH2-CZ 3.75Å; W181-F213 HydrophobicContact CZ3-CZ 4.05Å
182P92.4Very high86.5Confident31 Ų3171.6 Ų71.620%0.20135%0.346CS..EExtended strand (participates in β ladder)trans-60.8132.7170.5-22.133.2000110.9N165 C184 S185N165-P182 WeakPolarHBondContact OD1-CA 3.33Å; P182-C184 PolarHBondContact O-N 3.24Å; P182-S185 WeakPolarHBondContact O-CB 3.5Å; P182-S185 PolarHBondContact O-N 2.95Å
183L90.6Very high87Confident1 Ų167.7 Ų67.71%0.00534%0.343CS..G310 helixtrans-62.6-30.2179.7-75173.5000112.3T162 E164 I166 W181 S185 L186 V225 S228 I232T162-L183 WeakPolarHBondContact O-CD1 3.27Å; E164-L183 WeakPolarHBondContact O-CB 3.42Å; E164-L183 PolarHBondContact O-N 3.2Å; I166-L183 HydrophobicContact CD1-CD2 3.84Å; I166-L183 HydrophobicContact CG1-CD2 3.58Å; I166-L183 HydrophobicContact CG1-CG 4.33Å; W181-L183 PolarHBondContact O-N 3.48Å; L183-S185 VanDerWaalsContact C-N 3.27Å; L183-S185 PolarHBondContact O-N 3.47Å; L183-L186 HydrophobicContact CD2-CD1 3.83Å; L183-L186 PolarHBondContact O-N 3.35Å; L183-V225 HydrophobicContact CD2-CG1 3.93Å; L183-S228 VanDerWaalsContact CD1-CB 3.4Å; L183-I232 HydrophobicContact CB-CD1 3.63Å; L183-I232 HydrophobicContact CD1-CD1 4.07Å
184C91.2Very high87.6Confident93 Ų9367.5 Ų67.563%0.62834%0.344SS*.G310 helixtrans-71.7-19.5175.457.70000113.6P182P182-C184 PolarHBondContact O-N 3.24Å
185S90.4Very high88.7Confident24 Ų2468.4 Ų68.417%0.16834%0.339CS..G310 helixtrans-92.5-1.6179-62.90000112.8P182 L183 G201 C204P182-S185 WeakPolarHBondContact O-CB 3.5Å; P182-S185 PolarHBondContact O-N 2.95Å; L183-S185 VanDerWaalsContact C-N 3.27Å; L183-S185 PolarHBondContact O-N 3.47Å; S185-G201 PolarHBondContact O-N 2.68Å; S185-C204 WeakPolarHBondContact CB-SG 3.4Å
186L92.9Very high89.8Confident22 Ų2257.6 Ų57.612%0.11530%0.298CS..EExtended strand (participates in β ladder)trans-74.8130.9174.1-58.2-175.7000109.8I166 W181 L183 Y189 F198 V225I166-L186 HydrophobicContact CD1-CD1 3.79Å; W181-L186 HydrophobicContact CB-CD2 4.43Å; L183-L186 HydrophobicContact CD2-CD1 3.83Å; L183-L186 PolarHBondContact O-N 3.35Å; L186-Y189 HydrophobicContact CD1-CD1 4.22Å; L186-F198 HydrophobicContact CD2-CB 4.43Å; L186-F198 HydrophobicContact CD2-CD2 3.49Å; L186-F198 VanDerWaalsContact CD2-CD2 3.49Å; L186-F198 HydrophobicContact CD2-CE2 3.97Å; L186-F198 HydrophobicContact CD2-CG 4.12Å; L186-V225 HydrophobicContact CD1-CG1 4.01Å
187R92.3Very high90.6Very high116 Ų11656.5 Ų56.544%0.43829%0.291SS..EExtended strand (participates in β ladder)trans-86-45.7174.2-67.9174.4176.1171.83.5111.1E199 E208R187-E199 HydrophobicContact CB-CB 4.5Å; R187-E199 WeakPolarHBondContact CD-OE1 3.42Å; R187-E199 IonicContact CZ-OE1 3.2Å; R187-E199 PolarHBondContact N-O 2.94Å; R187-E199 IonicContact NE-OE1 3.36Å; R187-E199 IonicContact NH1-OE1 3.56Å; R187-E199 PolarHBondContact NH1-OE1 3.09Å; R187-E208 IonicContact CZ-OE1 3.75Å; R187-E208 VanDerWaalsContact CZ-OE1 3.24Å; R187-E208 IonicContact NH1-OE1 3.24Å; R187-E208 PolarHBondContact NH1-OE1 2.76Å; R187-E208 IonicContact NH2-OE1 2.8Å; R187-E208 PolarHBondContact NH2-OE1 3.2Å; R187-E208 IonicContact NH2-OE2 3.9Å; R187-E208 PolarHBondContact NH2-OE2 2.75Å
188R93.1Very high91.1Very high142 Ų14252.1 Ų52.154%0.53627%0.272SS..EExtended strand (participates in β ladder)trans-150.7151.8-177.3-60.1178.973-173.6-1.9109.5F198 E199 A304R188-F198 CarbonylContact O-C 3.6Å; R188-F198 WeakPolarHBondContact O-CA 3.48Å; R188-E199 PolarHBondContact O-N 2.93Å; R188-A304 PolarHBondContact NH1-O 3.03Å; R188-A304 PolarHBondContact NH2-O 3.04Å
189Y96.1Very high91.4Very high56 Ų5652.1 Ų52.122%0.2227%0.271CS..EExtended strand (participates in β ladder)trans-146.9151.6172.850-94.8000109.9L186 T197 Y222 V225 H226 T229L186-Y189 HydrophobicContact CD1-CD1 4.22Å; Y189-T197 CarbonylContact C-O 3.58Å; Y189-T197 VanDerWaalsContact CA-O 3.31Å; Y189-T197 WeakPolarHBondContact CA-O 3.3Å; Y189-Y222 AromaticContact CD2-CD2 3.91Å; Y189-Y222 HydrophobicContact CD2-CD2 3.91Å; Y189-Y222 AromaticContact CD2-CE2 3.63Å; Y189-Y222 HydrophobicContact CD2-CE2 3.63Å; Y189-Y222 HydrophobicContact CE2-CD2 4.38Å; Y189-Y222 AromaticContact CE2-CE2 3.84Å; Y189-Y222 HydrophobicContact CE2-CE2 3.84Å; Y189-V225 HydrophobicContact CD1-CG1 3.95Å; Y189-V225 HydrophobicContact CD2-CG1 4.07Å; Y189-V225 HydrophobicContact CE1-CG1 4.18Å; Y189-V225 HydrophobicContact CE2-CG1 4.3Å; Y189-V225 HydrophobicContact CG-CG1 3.9Å; Y189-H226 HydrophobicContact CE2-CB 3.94Å; Y189-H226 AromaticContact CE2-ND1 3.8Å; Y189-H226 AromaticContact CZ-ND1 3.82Å; Y189-H226 PolarHBondContact OH-ND1 2.98Å; Y189-T229 HydrophobicContact CE1-CG2 4.26Å
190G92.8Very high91.6Very high28 Ų2851.4 Ų51.429%0.28927%0.267SS..EExtended strand (participates in β ladder)trans-159.8169.9-175.700000111.8F196 T197G190-F196 VanDerWaalsContact O-CD2 3.27Å; G190-F196 WeakPolarHBondContact O-CD2 3.29Å; G190-T197 PolarHBondContact N-O 2.8Å; G190-T197 PolarHBondContact O-N 3.44Å; G190-T197 VanDerWaalsContact O-O 3.11Å
191R92.8Very high91.4Very high131 Ų13150.6 Ų50.649%0.49426%0.263SS..EExtended strand (participates in β ladder)trans-142.4155.217866.983.2177.2155.5-6.7110.8R195 F196 E219 Y222R191-R195 CarbonylContact C-O 3.59Å; R191-R195 WeakPolarHBondContact CA-O 3.26Å; R191-F196 HydrophobicContact CB-CD2 4.31Å; R191-E219 IonicContact CZ-OE2 3.03Å; R191-E219 IonicContact NE-OE2 2.64Å; R191-E219 PolarHBondContact NE-OE2 2.69Å; R191-E219 IonicContact NH2-OE2 2.73Å; R191-E219 PolarHBondContact NH2-OE2 3.21Å; R191-Y222 HydrophobicContact CG-CD2 4.15Å; R191-Y222 HydrophobicContact CG-CG 3.9Å
192D88.6Confident91Very high71 Ų7159.8 Ų59.838%0.3830%0.298SS..  trans-125.4-169163.469.739.6000110T194 R195D192-T194 PolarHBondContact O-N 2.84Å; D192-T194 WeakPolarHBondContact OD1-CA 3.16Å; D192-T194 PolarHBondContact OD1-N 3.07Å; D192-T194 PolarHBondContact OD1-OG1 2.82Å; D192-R195 PolarHBondContact N-O 2.93Å; D192-R195 WeakPolarHBondContact OD1-CA 3.47Å; D192-R195 WeakPolarHBondContact OD1-CB 3.37Å; D192-R195 PolarHBondContact OD1-N 2.84Å; D192-R195 WeakPolarHBondContact OD2-CD 3.44Å
193A79.7Confident90.3Very high89 Ų8966 Ų6674%0.73633%0.326SS*.SBendtrans-65.8-19.3-178.200000114.3
194T84.8Confident89.8Confident70 Ų7066.2 Ų66.243%0.42933%0.328SS..SBendtrans-133.9-0.9-172.4620000113.9D192 Q214 T215D192-T194 PolarHBondContact O-N 2.84Å; D192-T194 WeakPolarHBondContact OD1-CA 3.16Å; D192-T194 PolarHBondContact OD1-N 3.07Å; D192-T194 PolarHBondContact OD1-OG1 2.82Å; T194-Q214 CarbonylContact O-C 3.58Å; T194-Q214 WeakPolarHBondContact O-CA 3.32Å; T194-T215 CarbonylContact C-O 3.53Å; T194-T215 WeakPolarHBondContact CA-O 3.28Å; T194-T215 PolarHBondContact O-N 3.39Å
195R87.8Confident89Confident92 Ų9268.9 Ų68.935%0.34734%0.336SS..EExtended strand (participates in β ladder)trans-144.2150.8-172-53177.4176.4-135.9-4.6111.9L146 R191 D192 T212 F213L146-R195 VanDerWaalsContact CD1-NH1 3.32Å; R191-R195 CarbonylContact C-O 3.59Å; R191-R195 WeakPolarHBondContact CA-O 3.26Å; D192-R195 PolarHBondContact N-O 2.93Å; D192-R195 WeakPolarHBondContact OD1-CA 3.47Å; D192-R195 WeakPolarHBondContact OD1-CB 3.37Å; D192-R195 PolarHBondContact OD1-N 2.84Å; D192-R195 WeakPolarHBondContact OD2-CD 3.44Å; R195-T212 HydrophobicContact CB-CG2 4.45Å; R195-F213 CarbonylContact C-O 3.57Å; R195-F213 WeakPolarHBondContact CA-O 3.31Å
196F94.1Very high88.4Confident0 Ų068.2 Ų68.20%033%0.331CS..EExtended strand (participates in β ladder)trans-123.5135.9165.2173.5-105.7000108.2M159 G190 R191 F198 F213 T215 I221 V225M159-F196 HydrophobicContact CE-CD1 4.26Å; M159-F196 HydrophobicContact CE-CE1 4.37Å; M159-F196 HydrophobicContact SD-CD1 4.11Å; M159-F196 HydrophobicContact SD-CE1 4.15Å; G190-F196 VanDerWaalsContact O-CD2 3.27Å; G190-F196 WeakPolarHBondContact O-CD2 3.29Å; R191-F196 HydrophobicContact CB-CD2 4.31Å; F196-F198 HydrophobicContact CD1-CD1 4.36Å; F196-F198 AromaticContact CE1-CD1 3.6Å; F196-F198 HydrophobicContact CE1-CD1 3.6Å; F196-F198 HydrophobicContact CE1-CE1 4.22Å; F196-F198 HydrophobicContact CZ-CD1 4.21Å; F196-F213 HydrophobicContact CD1-CD2 4.22Å; F196-F213 PolarHBondContact N-O 3.02Å; F196-F213 WeakPolarHBondContact O-CB 3.34Å; F196-F213 PolarHBondContact O-N 3.41Å; F196-T215 HydrophobicContact CB-CG2 4.13Å; F196-I221 HydrophobicContact CB-CG2 4.4Å; F196-I221 HydrophobicContact CD1-CG2 3.5Å; F196-I221 VanDerWaalsContact CD1-CG2 3.5Å; F196-I221 HydrophobicContact CD2-CB 4.36Å; F196-I221 HydrophobicContact CD2-CG2 3.78Å; F196-I221 HydrophobicContact CE1-CG2 3.56Å; F196-I221 HydrophobicContact CE2-CG2 3.88Å; F196-I221 HydrophobicContact CG-CB 4.29Å; F196-I221 HydrophobicContact CG-CG2 3.61Å; F196-I221 HydrophobicContact CZ-CG2 3.79Å; F196-V225 HydrophobicContact CE1-CG2 4.49Å; F196-V225 HydrophobicContact CZ-CB 4.36Å; F196-V225 HydrophobicContact CZ-CG2 3.83Å
197T94.4Very high87.8Confident33 Ų3368.5 Ų68.520%0.20234%0.34CS..EExtended strand (participates in β ladder)trans-137.8141.5-174.6-61.30000110.3Y189 G190 L210 Y211 T212Y189-T197 CarbonylContact C-O 3.58Å; Y189-T197 VanDerWaalsContact CA-O 3.31Å; Y189-T197 WeakPolarHBondContact CA-O 3.3Å; G190-T197 PolarHBondContact N-O 2.8Å; G190-T197 PolarHBondContact O-N 3.44Å; G190-T197 VanDerWaalsContact O-O 3.11Å; T197-L210 HydrophobicContact CG2-CD1 3.44Å; T197-L210 VanDerWaalsContact CG2-CD1 3.44Å; T197-L210 HydrophobicContact CG2-CD2 4.43Å; T197-L210 HydrophobicContact CG2-CG 3.91Å; T197-Y211 VanDerWaalsContact CA-O 3.29Å; T197-Y211 WeakPolarHBondContact CA-O 3.33Å; T197-Y211 WeakPolarHBondContact CG2-O 3.29Å; T197-T212 WeakPolarHBondContact OG1-CG2 3.45Å; T197-T212 PolarHBondContact OG1-OG1 3.38Å
198F96.1Very high87.6Confident1 Ų166 Ų660%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-142.8155.216965.4-97000112.2M159 I166 W181 L186 R188 F196 A200 Y211 F213M159-F198 HydrophobicContact CE-CE1 4.18Å; I166-F198 HydrophobicContact CD1-CD1 4.42Å; I166-F198 HydrophobicContact CD1-CE1 4.3Å; W181-F198 HydrophobicContact CB-CE2 4.23Å; W181-F198 HydrophobicContact CB-CZ 4.41Å; W181-F198 AromaticContact CD1-CE2 3.84Å; W181-F198 AromaticContact CD2-CE2 3.83Å; W181-F198 HydrophobicContact CD2-CE2 3.83Å; W181-F198 AromaticContact CD2-CZ 3.47Å; W181-F198 HydrophobicContact CD2-CZ 3.47Å; W181-F198 VanDerWaalsContact CD2-CZ 3.47Å; W181-F198 AromaticContact CE2-CE2 3.98Å; W181-F198 AromaticContact CE2-CZ 3.74Å; W181-F198 HydrophobicContact CE3-CE1 4.48Å; W181-F198 HydrophobicContact CE3-CE2 4.43Å; W181-F198 AromaticContact CE3-CZ 3.64Å; W181-F198 HydrophobicContact CE3-CZ 3.64Å; W181-F198 AromaticContact CG-CE2 3.71Å; W181-F198 HydrophobicContact CG-CE2 3.71Å; W181-F198 AromaticContact CG-CZ 3.83Å; W181-F198 HydrophobicContact CG-CZ 3.83Å; W181-F198 HydrophobicContact CH2-CZ 4.22Å; W181-F198 HydrophobicContact CZ2-CZ 4.12Å; W181-F198 AromaticContact CZ3-CZ 3.99Å; W181-F198 HydrophobicContact CZ3-CZ 3.99Å; W181-F198 AromaticContact NE1-CE2 3.99Å; L186-F198 HydrophobicContact CD2-CB 4.43Å; L186-F198 HydrophobicContact CD2-CD2 3.49Å; L186-F198 VanDerWaalsContact CD2-CD2 3.49Å; L186-F198 HydrophobicContact CD2-CE2 3.97Å; L186-F198 HydrophobicContact CD2-CG 4.12Å; R188-F198 CarbonylContact O-C 3.6Å; R188-F198 WeakPolarHBondContact O-CA 3.48Å; F196-F198 HydrophobicContact CD1-CD1 4.36Å; F196-F198 AromaticContact CE1-CD1 3.6Å; F196-F198 HydrophobicContact CE1-CD1 3.6Å; F196-F198 HydrophobicContact CE1-CE1 4.22Å; F196-F198 HydrophobicContact CZ-CD1 4.21Å; F198-A200 HydrophobicContact CD2-CB 4.47Å; F198-A200 HydrophobicContact CE2-CB 4.32Å; F198-Y211 HydrophobicContact CD2-CD2 4.02Å; F198-Y211 AromaticContact CE2-CD2 3.47Å; F198-Y211 HydrophobicContact CE2-CD2 3.47Å; F198-Y211 VanDerWaalsContact CE2-CD2 3.47Å; F198-Y211 HydrophobicContact CE2-CE2 4.35Å; F198-Y211 AromaticContact CE2-CG 3.97Å; F198-Y211 HydrophobicContact CE2-CG 3.97Å; F198-Y211 HydrophobicContact CZ-CD2 4.1Å; F198-Y211 HydrophobicContact CZ-CG 4.14Å; F198-Y211 PolarHBondContact N-O 2.96Å; F198-Y211 PolarHBondContact O-N 3.04Å; F198-F213 HydrophobicContact CD1-CD2 4.45Å; F198-F213 AromaticContact CD1-CE2 3.92Å; F198-F213 HydrophobicContact CD1-CE2 3.92Å; F198-F213 HydrophobicContact CE1-CD2 4.09Å; F198-F213 AromaticContact CE1-CE2 3.22Å; F198-F213 HydrophobicContact CE1-CE2 3.22Å; F198-F213 AromaticContact CE1-CZ 3.87Å; F198-F213 HydrophobicContact CE1-CZ 3.87Å; F198-F213 AromaticContact CZ-CE2 3.82Å; F198-F213 HydrophobicContact CZ-CE2 3.82Å; F198-F213 HydrophobicContact CZ-CZ 4.15Å
199E94.8Very high87.4Confident54 Ų5459.7 Ų59.725%0.25231%0.312SS..EExtended strand (participates in β ladder)trans-106.9118.8173.4-171.4-167151.600109.2R187 R188 G209 L210R187-E199 HydrophobicContact CB-CB 4.5Å; R187-E199 WeakPolarHBondContact CD-OE1 3.42Å; R187-E199 IonicContact CZ-OE1 3.2Å; R187-E199 PolarHBondContact N-O 2.94Å; R187-E199 IonicContact NE-OE1 3.36Å; R187-E199 IonicContact NH1-OE1 3.56Å; R187-E199 PolarHBondContact NH1-OE1 3.09Å; R188-E199 PolarHBondContact O-N 2.93Å; E199-G209 WeakPolarHBondContact CA-O 3.31Å; E199-L210 HydrophobicContact CB-CD1 4.25Å
200A92.9Very high87.2Confident0 Ų062 Ų620%033%0.328CS..EExtended strand (participates in β ladder)trans-93145.2175.700000111F198 C204 E208 G209 Y211F198-A200 HydrophobicContact CD2-CB 4.47Å; F198-A200 HydrophobicContact CE2-CB 4.32Å; A200-C204 HydrophobicContact CB-CB 4.29Å; A200-E208 VanDerWaalsContact O-CA 3.3Å; A200-E208 WeakPolarHBondContact O-CA 3.31Å; A200-G209 PolarHBondContact N-O 3.49Å; A200-G209 PolarHBondContact O-N 3.4Å; A200-G209 VanDerWaalsContact O-N 3.1Å; A200-Y211 HydrophobicContact CB-CD2 4.16Å; A200-Y211 HydrophobicContact CB-CE2 3.69Å
201G88.6Confident87.2Confident8 Ų860.7 Ų60.78%0.08231%0.314CS..  trans-82.2174172.100000113.8S185 M203 C204S185-G201 PolarHBondContact O-N 2.68Å; G201-M203 PolarHBondContact O-N 2.91Å; G201-M203 VanDerWaalsContact O-N 3.09Å; G201-C204 PolarHBondContact O-N 2.82Å
202R84.4Confident87.2Confident194 Ų19455.7 Ų55.773%0.73230%0.298SS*.THydrogen-bonded Turntrans-62.4-16.7-177.9-62.7-178.1-171.51753.4115.1C204 E208R202-C204 PolarHBondContact O-N 2.84Å; R202-E208 HydrophobicContact CB-CB 4.49Å; R202-E208 HydrophobicContact CG-CB 3.69Å; R202-E208 HydrophobicContact CG-CG 4.45Å; R202-E208 WeakPolarHBondContact CG-OE2 2.92Å; R202-E208 IonicContact CZ-OE2 3.96Å; R202-E208 IonicContact NE-OE2 3.99Å; R202-E208 PolarHBondContact NE-OE2 3.32Å; R202-E208 IonicContact NH2-OE2 2.97Å; R202-E208 PolarHBondContact NH2-OE2 2.96Å
203M76.9Confident87.5Confident160 Ų16052.3 Ų52.379%0.78828%0.28SS*.THydrogen-bonded Turntrans-80.7-3.3-179.1-61.3-60.4-64.900112.9G201G201-M203 PolarHBondContact O-N 2.91Å; G201-M203 VanDerWaalsContact O-N 3.09Å
204C81.4Confident87.8Confident7 Ų752.5 Ų52.55%0.04727%0.266CS..SBendtrans-85.1145.9174.5-64.30000110.9S185 A200 G201 R202 S206 G207S185-C204 WeakPolarHBondContact CB-SG 3.4Å; A200-C204 HydrophobicContact CB-CB 4.29Å; G201-C204 PolarHBondContact O-N 2.82Å; R202-C204 PolarHBondContact O-N 2.84Å; C204-S206 PolarHBondContact O-N 2.92Å; C204-S206 VanDerWaalsContact O-N 3.08Å; C204-G207 PolarHBondContact O-N 3.05Å
205D74Confident87.9Confident149 Ų14949.6 Ų49.680%0.79725%0.248SC*.THydrogen-bonded Turntrans-56.9-26.6175.1-61.1-28.6000112.6G207D205-G207 PolarHBondContact O-N 3.49Å
206S77.9Confident87.6Confident10 Ų1054.9 Ų54.97%0.0727%0.273CS..THydrogen-bonded Turntrans-74.1-9.5176.171.10000114.7W181 C204 Y211W181-S206 VanDerWaalsContact CD1-OG 3.29Å; W181-S206 VanDerWaalsContact NE1-CB 3.34Å; W181-S206 PolarHBondContact NE1-OG 3.41Å; C204-S206 PolarHBondContact O-N 2.92Å; C204-S206 VanDerWaalsContact O-N 3.08Å; S206-Y211 WeakPolarHBondContact CB-OH 3.39Å; S206-Y211 PolarHBondContact O-OH 2.86Å; S206-Y211 PolarHBondContact OG-OH 3.31Å
207G80.1Confident86.9Confident28 Ų2858 Ų5829%0.28929%0.288SS..  trans73.6176-164.300000113.5C204 D205 Y211C204-G207 PolarHBondContact O-N 3.05Å; D205-G207 PolarHBondContact O-N 3.49Å; G207-Y211 PolarHBondContact O-OH 2.84Å
208E88.1Confident86.4Confident62 Ų6256.6 Ų56.629%0.2928%0.28SS..SBendtrans-67.2133.9172.1171.3177.5-173.600109.9N150 R187 A200 R202N150-E208 PolarHBondContact ND2-O 3.44Å; R187-E208 IonicContact CZ-OE1 3.75Å; R187-E208 VanDerWaalsContact CZ-OE1 3.24Å; R187-E208 IonicContact NH1-OE1 3.24Å; R187-E208 PolarHBondContact NH1-OE1 2.76Å; R187-E208 IonicContact NH2-OE1 2.8Å; R187-E208 PolarHBondContact NH2-OE1 3.2Å; R187-E208 IonicContact NH2-OE2 3.9Å; R187-E208 PolarHBondContact NH2-OE2 2.75Å; A200-E208 VanDerWaalsContact O-CA 3.3Å; A200-E208 WeakPolarHBondContact O-CA 3.31Å; R202-E208 HydrophobicContact CB-CB 4.49Å; R202-E208 HydrophobicContact CG-CB 3.69Å; R202-E208 HydrophobicContact CG-CG 4.45Å; R202-E208 WeakPolarHBondContact CG-OE2 2.92Å; R202-E208 IonicContact CZ-OE2 3.96Å; R202-E208 IonicContact NE-OE2 3.99Å; R202-E208 PolarHBondContact NE-OE2 3.32Å; R202-E208 IonicContact NH2-OE2 2.97Å; R202-E208 PolarHBondContact NH2-OE2 2.96Å
209G89Confident85.8Confident10 Ų1060 Ų6010%0.10330%0.296CS..EExtended strand (participates in β ladder)trans174.7163.2-179.200000114.8E199 A200 Y211E199-G209 WeakPolarHBondContact CA-O 3.31Å; A200-G209 PolarHBondContact N-O 3.49Å; A200-G209 PolarHBondContact O-N 3.4Å; A200-G209 VanDerWaalsContact O-N 3.1Å; G209-Y211 WeakPolarHBondContact O-CD2 3.36Å; G209-Y211 WeakPolarHBondContact O-CE2 3.39Å
210L92.4Very high85.1Confident105 Ų10562.4 Ų62.455%0.5531%0.307SS..EExtended strand (participates in β ladder)trans-95.7120.2174.5-173.471.5000109.9T197 E199T197-L210 HydrophobicContact CG2-CD1 3.44Å; T197-L210 VanDerWaalsContact CG2-CD1 3.44Å; T197-L210 HydrophobicContact CG2-CD2 4.43Å; T197-L210 HydrophobicContact CG2-CG 3.91Å; E199-L210 HydrophobicContact CB-CD1 4.25Å
211Y93Very high84.8Confident1 Ų162.4 Ų62.40%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-111122179.4-58.1-83.8000109.7L151 W181 T197 F198 A200 S206 G207 G209L151-Y211 HydrophobicContact CB-CE1 4.2Å; L151-Y211 HydrophobicContact CD2-CD1 4.29Å; L151-Y211 HydrophobicContact CD2-CE1 3.9Å; W181-Y211 AromaticContact CZ2-CD1 3.79Å; W181-Y211 HydrophobicContact CZ2-CD1 3.79Å; W181-Y211 HydrophobicContact CZ2-CD2 4.47Å; W181-Y211 AromaticContact CZ2-CE1 3.99Å; W181-Y211 HydrophobicContact CZ2-CE1 3.99Å; W181-Y211 HydrophobicContact CZ2-CG 4.06Å; W181-Y211 AromaticContact NE1-CD2 3.88Å; W181-Y211 AromaticContact NE1-CE2 3.55Å; W181-Y211 AromaticContact NE1-CZ 3.71Å; T197-Y211 VanDerWaalsContact CA-O 3.29Å; T197-Y211 WeakPolarHBondContact CA-O 3.33Å; T197-Y211 WeakPolarHBondContact CG2-O 3.29Å; F198-Y211 HydrophobicContact CD2-CD2 4.02Å; F198-Y211 AromaticContact CE2-CD2 3.47Å; F198-Y211 HydrophobicContact CE2-CD2 3.47Å; F198-Y211 VanDerWaalsContact CE2-CD2 3.47Å; F198-Y211 HydrophobicContact CE2-CE2 4.35Å; F198-Y211 AromaticContact CE2-CG 3.97Å; F198-Y211 HydrophobicContact CE2-CG 3.97Å; F198-Y211 HydrophobicContact CZ-CD2 4.1Å; F198-Y211 HydrophobicContact CZ-CG 4.14Å; F198-Y211 PolarHBondContact N-O 2.96Å; F198-Y211 PolarHBondContact O-N 3.04Å; A200-Y211 HydrophobicContact CB-CD2 4.16Å; A200-Y211 HydrophobicContact CB-CE2 3.69Å; S206-Y211 WeakPolarHBondContact CB-OH 3.39Å; S206-Y211 PolarHBondContact O-OH 2.86Å; S206-Y211 PolarHBondContact OG-OH 3.31Å; G207-Y211 PolarHBondContact O-OH 2.84Å; G209-Y211 WeakPolarHBondContact O-CD2 3.36Å; G209-Y211 WeakPolarHBondContact O-CE2 3.39Å
212T92.9Very high84.9Confident25 Ų2565 Ų6515%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-116.5127.7-179.7-60.90000110.4L146 R195 T197L146-T212 HydrophobicContact CD1-CG2 3.58Å; L146-T212 HydrophobicContact CG-CG2 4.32Å; L146-T212 PolarHBondContact N-O 2.81Å; R195-T212 HydrophobicContact CB-CG2 4.45Å; T197-T212 WeakPolarHBondContact OG1-CG2 3.45Å; T197-T212 PolarHBondContact OG1-OG1 3.38Å
213F93.5Very high84.9Confident0 Ų059.5 Ų59.50%030%0.297CS..EExtended strand (participates in β ladder)trans-117122.3-178.1-61.8-90.6000109.3V143 F144 L145 M159 L168 W181 R195 F196 F198V143-F213 HydrophobicContact CB-CB 4.13Å; V143-F213 HydrophobicContact CB-CD1 3.98Å; V143-F213 HydrophobicContact CB-CG 4.47Å; V143-F213 HydrophobicContact CG1-CB 4.36Å; V143-F213 HydrophobicContact CG2-CD1 3.71Å; V143-F213 HydrophobicContact CG2-CE1 4.33Å; F144-F213 CarbonylContact O-C 3.54Å; F144-F213 WeakPolarHBondContact O-CA 3.47Å; L145-F213 HydrophobicContact CB-CD1 4.08Å; L145-F213 HydrophobicContact CB-CE1 3.95Å; L145-F213 HydrophobicContact CD1-CD1 4.15Å; L145-F213 HydrophobicContact CD1-CE1 3.69Å; L145-F213 HydrophobicContact CD1-CE2 4.31Å; L145-F213 HydrophobicContact CD1-CZ 3.78Å; L145-F213 HydrophobicContact CG-CE1 4.25Å; M159-F213 HydrophobicContact CE-CD1 3.57Å; M159-F213 HydrophobicContact CE-CD2 3.56Å; M159-F213 HydrophobicContact CE-CE1 3.46Å; M159-F213 VanDerWaalsContact CE-CE1 3.46Å; M159-F213 HydrophobicContact CE-CE2 3.51Å; M159-F213 HydrophobicContact CE-CG 3.6Å; M159-F213 HydrophobicContact CE-CZ 3.43Å; M159-F213 VanDerWaalsContact CE-CZ 3.43Å; L168-F213 HydrophobicContact CD1-CE1 4.1Å; L168-F213 HydrophobicContact CD2-CE1 4.39Å; W181-F213 HydrophobicContact CH2-CE1 4.44Å; W181-F213 AromaticContact CH2-CZ 3.75Å; W181-F213 HydrophobicContact CH2-CZ 3.75Å; W181-F213 HydrophobicContact CZ3-CZ 4.05Å; R195-F213 CarbonylContact C-O 3.57Å; R195-F213 WeakPolarHBondContact CA-O 3.31Å; F196-F213 HydrophobicContact CD1-CD2 4.22Å; F196-F213 PolarHBondContact N-O 3.02Å; F196-F213 WeakPolarHBondContact O-CB 3.34Å; F196-F213 PolarHBondContact O-N 3.41Å; F198-F213 HydrophobicContact CD1-CD2 4.45Å; F198-F213 AromaticContact CD1-CE2 3.92Å; F198-F213 HydrophobicContact CD1-CE2 3.92Å; F198-F213 HydrophobicContact CE1-CD2 4.09Å; F198-F213 AromaticContact CE1-CE2 3.22Å; F198-F213 HydrophobicContact CE1-CE2 3.22Å; F198-F213 AromaticContact CE1-CZ 3.87Å; F198-F213 HydrophobicContact CE1-CZ 3.87Å; F198-F213 AromaticContact CZ-CE2 3.82Å; F198-F213 HydrophobicContact CZ-CE2 3.82Å; F198-F213 HydrophobicContact CZ-CZ 4.15Å
214Q87.4Confident85.3Confident93 Ų9353.2 Ų53.244%0.43526%0.264SS..EExtended strand (participates in β ladder)trans-81.6122.8171.3-168.1175.427.800109.3F144 T194F144-Q214 HydrophobicContact CB-CB 4.19Å; F144-Q214 PolarHBondContact N-O 3.36Å; F144-Q214 PolarHBondContact O-N 3.07Å; T194-Q214 CarbonylContact O-C 3.58Å; T194-Q214 WeakPolarHBondContact O-CA 3.32Å
215T85.8Confident85.7Confident10 Ų1052.9 Ų52.96%0.06126%0.262CS..  trans-164.4146.1-177.2-179.50000111.1N142 V143 T194 F196 E217 I221N142-T215 PolarHBondContact O-OG1 2.91Å; V143-T215 HydrophobicContact CG1-CG2 4.26Å; T194-T215 CarbonylContact C-O 3.53Å; T194-T215 WeakPolarHBondContact CA-O 3.28Å; T194-T215 PolarHBondContact O-N 3.39Å; F196-T215 HydrophobicContact CB-CG2 4.13Å; T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact OG1-N 2.73Å; T215-E217 VanDerWaalsContact OG1-N 3.08Å; T215-I221 HydrophobicContact CG2-CD1 3.66Å
216K80.9Confident86.4Confident203 Ų20348.5 Ų48.588%0.88324%0.237SC*.THydrogen-bonded Turntrans-81.2-12172.2-63.7-177.6179.6179.40112.3G218K216-G218 VanDerWaalsContact C-N 3.31Å
217E79.9Confident86.7Confident66 Ų6651.7 Ų51.731%0.30826%0.26SS..THydrogen-bonded Turntrans-96.816.5-175.1-60.9163.6149.600111.4F141 N142 T215 E219 Q220 I221F141-E217 HydrophobicContact CD1-CB 3.71Å; F141-E217 HydrophobicContact CD1-CG 4.28Å; F141-E217 WeakPolarHBondContact CD1-OE2 3.29Å; F141-E217 HydrophobicContact CE1-CB 4.18Å; N142-E217 PolarHBondContact N-OE2 3.05Å; T215-E217 VanDerWaalsContact C-N 3.26Å; T215-E217 PolarHBondContact OG1-N 2.73Å; T215-E217 VanDerWaalsContact OG1-N 3.08Å; E217-E219 VanDerWaalsContact C-N 3.31Å; E217-E219 PolarHBondContact O-N 3.04Å; E217-Q220 PolarHBondContact O-N 3Å; E217-I221 HydrophobicContact CB-CD1 4.39Å; E217-I221 WeakPolarHBondContact O-CG1 3.43Å; E217-I221 PolarHBondContact O-N 2.7Å
218G83.5Confident87Confident2 Ų251.1 Ų51.12%0.02125%0.251CS..Hα-helixtrans-56.7-37.6-172.800000114.3K216 Y222K216-G218 VanDerWaalsContact C-N 3.31Å; G218-Y222 VanDerWaalsContact O-CB 3.27Å; G218-Y222 WeakPolarHBondContact O-CB 3.41Å; G218-Y222 PolarHBondContact O-N 2.98Å
219E83.9Confident87Confident73 Ų7349.7 Ų49.734%0.34125%0.246SC..Hα-helixtrans-62.8-44.9173.9177.459.1-150.800111.8R191 E217 Y222 Q223R191-E219 IonicContact CZ-OE2 3.03Å; R191-E219 IonicContact NE-OE2 2.64Å; R191-E219 PolarHBondContact NE-OE2 2.69Å; R191-E219 IonicContact NH2-OE2 2.73Å; R191-E219 PolarHBondContact NH2-OE2 3.21Å; E217-E219 VanDerWaalsContact C-N 3.31Å; E217-E219 PolarHBondContact O-N 3.04Å; E219-Y222 PolarHBondContact O-N 3.11Å; E219-Q223 VanDerWaalsContact O-CG 3.27Å; E219-Q223 WeakPolarHBondContact O-CG 3.5Å; E219-Q223 PolarHBondContact O-N 3.06Å; E219-Q223 WeakPolarHBondContact OE1-CG 3.31Å; E219-Q223 PolarHBondContact OE1-NE2 3.13Å
220Q80.1Confident86.9Confident105 Ų10553.1 Ų53.149%0.49126%0.262SS..Hα-helixtrans-67.5-40.7-178.7-62-177.342.200111.4F141 E217 Q223 R224F141-Q220 HydrophobicContact CE1-CB 3.79Å; F141-Q220 HydrophobicContact CZ-CB 4.06Å; E217-Q220 PolarHBondContact O-N 3Å; Q220-Q223 PolarHBondContact O-N 2.91Å; Q220-R224 WeakPolarHBondContact O-CG 3.26Å; Q220-R224 PolarHBondContact O-N 3.36Å; Q220-R224 VanDerWaalsContact O-N 3.13Å
221I87.3Confident86.5Confident0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-61.2-49.1175-66.5163.6000109.8F141 V143 M159 I161 F196 T215 E217 Q223 R224 V225F141-I221 HydrophobicContact CB-CD1 3.81Å; F141-I221 HydrophobicContact CB-CG1 4.01Å; F141-I221 HydrophobicContact CD1-CD1 4.24Å; F141-I221 HydrophobicContact CD1-CG1 3.78Å; F141-I221 HydrophobicContact CD2-CD1 4.28Å; F141-I221 HydrophobicContact CD2-CG1 3.54Å; F141-I221 HydrophobicContact CE1-CG1 3.99Å; F141-I221 HydrophobicContact CE2-CG1 3.76Å; F141-I221 HydrophobicContact CG-CD1 3.87Å; F141-I221 HydrophobicContact CG-CG1 3.49Å; F141-I221 VanDerWaalsContact CG-CG1 3.49Å; F141-I221 HydrophobicContact CZ-CG1 3.92Å; V143-I221 HydrophobicContact CG1-CD1 4.05Å; M159-I221 HydrophobicContact SD-CD1 4.47Å; M159-I221 HydrophobicContact SD-CG2 3.81Å; I161-I221 HydrophobicContact CD1-CG1 4.47Å; I161-I221 HydrophobicContact CD1-CG2 4Å; F196-I221 HydrophobicContact CB-CG2 4.4Å; F196-I221 HydrophobicContact CD1-CG2 3.5Å; F196-I221 VanDerWaalsContact CD1-CG2 3.5Å; F196-I221 HydrophobicContact CD2-CB 4.36Å; F196-I221 HydrophobicContact CD2-CG2 3.78Å; F196-I221 HydrophobicContact CE1-CG2 3.56Å; F196-I221 HydrophobicContact CE2-CG2 3.88Å; F196-I221 HydrophobicContact CG-CB 4.29Å; F196-I221 HydrophobicContact CG-CG2 3.61Å; F196-I221 HydrophobicContact CZ-CG2 3.79Å; T215-I221 HydrophobicContact CG2-CD1 3.66Å; E217-I221 HydrophobicContact CB-CD1 4.39Å; E217-I221 WeakPolarHBondContact O-CG1 3.43Å; E217-I221 PolarHBondContact O-N 2.7Å; I221-Q223 PolarHBondContact O-N 3.03Å; I221-R224 PolarHBondContact O-N 2.84Å; I221-R224 VanDerWaalsContact O-N 3.17Å; I221-V225 HydrophobicContact CG2-CG2 4.38Å; I221-V225 WeakPolarHBondContact O-CG2 3.47Å; I221-V225 PolarHBondContact O-N 3.49Å
222Y89.8Confident86.2Confident63 Ų6352 Ų5225%0.24726%0.263CS..Hα-helixtrans-55.9-49.3178.1176.2-92000111.8Y189 R191 G218 E219 R224 V225 H226Y189-Y222 AromaticContact CD2-CD2 3.91Å; Y189-Y222 HydrophobicContact CD2-CD2 3.91Å; Y189-Y222 AromaticContact CD2-CE2 3.63Å; Y189-Y222 HydrophobicContact CD2-CE2 3.63Å; Y189-Y222 HydrophobicContact CE2-CD2 4.38Å; Y189-Y222 AromaticContact CE2-CE2 3.84Å; Y189-Y222 HydrophobicContact CE2-CE2 3.84Å; R191-Y222 HydrophobicContact CG-CD2 4.15Å; R191-Y222 HydrophobicContact CG-CG 3.9Å; G218-Y222 VanDerWaalsContact O-CB 3.27Å; G218-Y222 WeakPolarHBondContact O-CB 3.41Å; G218-Y222 PolarHBondContact O-N 2.98Å; E219-Y222 PolarHBondContact O-N 3.11Å; Y222-R224 VanDerWaalsContact C-N 3.29Å; Y222-R224 PolarHBondContact O-N 2.88Å; Y222-V225 PolarHBondContact O-N 2.89Å; Y222-H226 HydrophobicContact CE1-CB 4.33Å; Y222-H226 WeakPolarHBondContact O-CB 3.4Å; Y222-H226 PolarHBondContact O-N 3.39Å
223Q84.3Confident86Confident77 Ų7753.5 Ų53.536%0.3628%0.278SS..Hα-helixtrans-59.5-38.8179.2-70.8-66.3-20.100112.3E219 Q220 I221 S227E219-Q223 VanDerWaalsContact O-CG 3.27Å; E219-Q223 WeakPolarHBondContact O-CG 3.5Å; E219-Q223 PolarHBondContact O-N 3.06Å; E219-Q223 WeakPolarHBondContact OE1-CG 3.31Å; E219-Q223 PolarHBondContact OE1-NE2 3.13Å; Q220-Q223 PolarHBondContact O-N 2.91Å; I221-Q223 PolarHBondContact O-N 3.03Å; Q223-S227 VanDerWaalsContact O-CB 3.22Å; Q223-S227 WeakPolarHBondContact O-CB 3.39Å; Q223-S227 PolarHBondContact O-N 3.04Å
224R84.9Confident85.7Confident28 Ų2859 Ų5911%0.10630%0.304CS..Hα-helixtrans-68.3-48.5176.6-72.2-167.5-159.2171.313.8112.3V136 E139 F141 I161 Q220 I221 Y222 H226 S227 S228V136-R224 PolarHBondContact O-NH1 3.21Å; E139-R224 VanDerWaalsContact CB-NH1 3.34Å; E139-R224 PolarHBondContact O-NH1 3.48Å; E139-R224 IonicContact OE2-CZ 2.65Å; E139-R224 IonicContact OE2-NH2 3.33Å; E139-R224 PolarHBondContact OE2-NH2 2.65Å; F141-R224 VanDerWaalsContact CE2-CZ 3.41Å; F141-R224 VanDerWaalsContact CE2-NH1 3.34Å; I161-R224 HydrophobicContact CB-CB 4.27Å; I161-R224 HydrophobicContact CG2-CB 4.14Å; Q220-R224 WeakPolarHBondContact O-CG 3.26Å; Q220-R224 PolarHBondContact O-N 3.36Å; Q220-R224 VanDerWaalsContact O-N 3.13Å; I221-R224 PolarHBondContact O-N 2.84Å; I221-R224 VanDerWaalsContact O-N 3.17Å; Y222-R224 VanDerWaalsContact C-N 3.29Å; Y222-R224 PolarHBondContact O-N 2.88Å; R224-H226 VanDerWaalsContact C-N 3.32Å; R224-H226 PolarHBondContact O-N 2.91Å; R224-S227 PolarHBondContact O-N 3.5Å; R224-S228 WeakPolarHBondContact O-CB 3.09Å; R224-S228 PolarHBondContact O-N 2.62Å; R224-S228 PolarHBondContact O-OG 3.32Å
225V90.3Very high85.4Confident0 Ų060.8 Ų60.80%031%0.313CS..Hα-helixtrans-58.8-48.8177.8172.70000109.7I161 I166 L183 L186 Y189 F196 I221 Y222 S227 S228 T229I161-V225 HydrophobicContact CG1-CG2 3.83Å; I161-V225 HydrophobicContact CG2-CG2 3.98Å; I166-V225 HydrophobicContact CD1-CG1 4.38Å; I166-V225 HydrophobicContact CD1-CG2 3.83Å; I166-V225 HydrophobicContact CG1-CG2 4.4Å; L183-V225 HydrophobicContact CD2-CG1 3.93Å; L186-V225 HydrophobicContact CD1-CG1 4.01Å; Y189-V225 HydrophobicContact CD1-CG1 3.95Å; Y189-V225 HydrophobicContact CD2-CG1 4.07Å; Y189-V225 HydrophobicContact CE1-CG1 4.18Å; Y189-V225 HydrophobicContact CE2-CG1 4.3Å; Y189-V225 HydrophobicContact CG-CG1 3.9Å; F196-V225 HydrophobicContact CE1-CG2 4.49Å; F196-V225 HydrophobicContact CZ-CB 4.36Å; F196-V225 HydrophobicContact CZ-CG2 3.83Å; I221-V225 HydrophobicContact CG2-CG2 4.38Å; I221-V225 WeakPolarHBondContact O-CG2 3.47Å; I221-V225 PolarHBondContact O-N 3.49Å; Y222-V225 PolarHBondContact O-N 2.89Å; V225-S227 PolarHBondContact O-N 3.43Å; V225-S228 PolarHBondContact O-N 3.04Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 PolarHBondContact O-N 2.93Å; V225-T229 PolarHBondContact O-OG1 2.96Å; V225-T229 VanDerWaalsContact O-OG1 3.04Å
226H90Very high85.4Confident57 Ų5766 Ų6626%0.26434%0.336SS..Hα-helixtrans-59.5-49.5-179.8-171.858.2000112.2Y189 Y222 R224 S228 T229 L230Y189-H226 HydrophobicContact CE2-CB 3.94Å; Y189-H226 AromaticContact CE2-ND1 3.8Å; Y189-H226 AromaticContact CZ-ND1 3.82Å; Y189-H226 PolarHBondContact OH-ND1 2.98Å; Y222-H226 HydrophobicContact CE1-CB 4.33Å; Y222-H226 WeakPolarHBondContact O-CB 3.4Å; Y222-H226 PolarHBondContact O-N 3.39Å; R224-H226 VanDerWaalsContact C-N 3.32Å; R224-H226 PolarHBondContact O-N 2.91Å; H226-S228 PolarHBondContact O-N 3.49Å; H226-T229 PolarHBondContact O-N 3.19Å; H226-L230 WeakPolarHBondContact NE2-CD1 3.37Å; H226-L230 WeakPolarHBondContact O-CB 3.3Å; H226-L230 WeakPolarHBondContact O-CG 3.42Å; H226-L230 PolarHBondContact O-N 3.08Å
227S82.8Confident85.7Confident78 Ų7863.1 Ų63.155%0.54532%0.323SS..Hα-helixtrans-61.3-43178.4-175.80000112.5Q223 R224 V225 A231Q223-S227 VanDerWaalsContact O-CB 3.22Å; Q223-S227 WeakPolarHBondContact O-CB 3.39Å; Q223-S227 PolarHBondContact O-N 3.04Å; R224-S227 PolarHBondContact O-N 3.5Å; V225-S227 PolarHBondContact O-N 3.43Å; S227-A231 PolarHBondContact O-N 2.89Å; S227-A231 VanDerWaalsContact O-N 3.12Å
228S86.4Confident86.1Confident15 Ų1566.5 Ų66.511%0.10534%0.337CS..Hα-helixtrans-66.9-44.7178.1-68.30000111.4T162 L183 R224 V225 H226 L230 A231 I232T162-S228 PolarHBondContact O-OG 2.97Å; T162-S228 VanDerWaalsContact O-OG 3.1Å; L183-S228 VanDerWaalsContact CD1-CB 3.4Å; R224-S228 WeakPolarHBondContact O-CB 3.09Å; R224-S228 PolarHBondContact O-N 2.62Å; R224-S228 PolarHBondContact O-OG 3.32Å; V225-S228 PolarHBondContact O-N 3.04Å; H226-S228 PolarHBondContact O-N 3.49Å; S228-L230 PolarHBondContact O-N 2.81Å; S228-A231 PolarHBondContact O-N 2.91Å; S228-I232 WeakPolarHBondContact O-CG1 3.27Å; S228-I232 PolarHBondContact O-N 3.04Å
229T89.2Confident86.3Confident32 Ų3270 Ų7020%0.19636%0.357CS..Hα-helixtrans-62-41.1178-61.50000112.1Y189 V225 H226 I232 A233Y189-T229 HydrophobicContact CE1-CG2 4.26Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 PolarHBondContact O-N 2.93Å; V225-T229 PolarHBondContact O-OG1 2.96Å; V225-T229 VanDerWaalsContact O-OG1 3.04Å; H226-T229 PolarHBondContact O-N 3.19Å; T229-I232 PolarHBondContact O-N 2.79Å; T229-A233 PolarHBondContact O-N 2.74Å
230L86.8Confident86.4Confident83 Ų8371.6 Ų71.644%0.43537%0.368SS..Hα-helixtrans-61.7-44.1174.8-75178000111.8H226 S228 I232 A233 E234H226-L230 WeakPolarHBondContact NE2-CD1 3.37Å; H226-L230 WeakPolarHBondContact O-CB 3.3Å; H226-L230 WeakPolarHBondContact O-CG 3.42Å; H226-L230 PolarHBondContact O-N 3.08Å; S228-L230 PolarHBondContact O-N 2.81Å; L230-I232 VanDerWaalsContact C-N 3.34Å; L230-I232 PolarHBondContact O-N 3.07Å; L230-A233 PolarHBondContact O-N 3.13Å; L230-E234 WeakPolarHBondContact O-CG 3.44Å; L230-E234 PolarHBondContact O-N 2.83Å
231A84.5Confident86.8Confident51 Ų5171 Ų7142%0.42137%0.368SS..Hα-helixtrans-60.9-42.3177.900000112.2S227 S228 A233 E234 Q235S227-A231 PolarHBondContact O-N 2.89Å; S227-A231 VanDerWaalsContact O-N 3.12Å; S228-A231 PolarHBondContact O-N 2.91Å; A231-A233 PolarHBondContact O-N 3.36Å; A231-E234 PolarHBondContact O-N 2.83Å; A231-Q235 WeakPolarHBondContact O-CB 3.34Å; A231-Q235 PolarHBondContact O-N 2.77Å
232I87.1Confident86.7Confident30 Ų3076.7 Ų76.715%0.15439%0.394CS..Hα-helixtrans-59.5-47.2174.6-63.9166.8000110.4H163 L183 S228 T229 L230 E234 Q235 H236H163-I232 VanDerWaalsContact O-CD1 3.31Å; H163-I232 WeakPolarHBondContact O-CD1 3.29Å; H163-I232 WeakPolarHBondContact O-CG1 3.5Å; L183-I232 HydrophobicContact CB-CD1 3.63Å; L183-I232 HydrophobicContact CD1-CD1 4.07Å; S228-I232 WeakPolarHBondContact O-CG1 3.27Å; S228-I232 PolarHBondContact O-N 3.04Å; T229-I232 PolarHBondContact O-N 2.79Å; L230-I232 VanDerWaalsContact C-N 3.34Å; L230-I232 PolarHBondContact O-N 3.07Å; I232-E234 PolarHBondContact O-N 3.33Å; I232-Q235 PolarHBondContact O-N 3.26Å; I232-H236 PolarHBondContact O-CD2 3.16Å; I232-H236 VanDerWaalsContact O-CD2 3.26Å; I232-H236 PolarHBondContact O-N 3.19Å
233A87Confident86.5Confident57 Ų5778.8 Ų78.847%0.47141%0.409SS..Hα-helixtrans-63.1-42.3-178.700000112.3T229 L230 A231 H236 K237T229-A233 PolarHBondContact O-N 2.74Å; L230-A233 PolarHBondContact O-N 3.13Å; A231-A233 PolarHBondContact O-N 3.36Å; A233-H236 PolarHBondContact O-N 2.67Å; A233-K237 PolarHBondContact O-N 3.48Å
234E87.4Confident86.6Confident116 Ų11679.4 Ų79.454%0.54241%0.412SS..Hα-helixtrans-63.1-41.6175.8-74.9-178.3-175.800112.4L230 A231 I232 K237 K238L230-E234 WeakPolarHBondContact O-CG 3.44Å; L230-E234 PolarHBondContact O-N 2.83Å; A231-E234 PolarHBondContact O-N 2.83Å; I232-E234 PolarHBondContact O-N 3.33Å; E234-K237 PolarHBondContact O-N 2.99Å; E234-K238 WeakPolarHBondContact O-CG 3.35Å; E234-K238 PolarHBondContact O-N 3.16Å
235Q82.3Confident86.6Confident131 Ų13184.6 Ų84.661%0.61244%0.436SS*.Hα-helixtrans-63.8-46.1177.2-175.7174.2-13.800111.3A231 I232 K237 K238 V239A231-Q235 WeakPolarHBondContact O-CB 3.34Å; A231-Q235 PolarHBondContact O-N 2.77Å; I232-Q235 PolarHBondContact O-N 3.26Å; Q235-K237 VanDerWaalsContact C-N 3.3Å; Q235-K237 PolarHBondContact O-N 2.89Å; Q235-K238 PolarHBondContact O-N 2.92Å; Q235-V239 WeakPolarHBondContact O-CG2 3.45Å; Q235-V239 PolarHBondContact O-N 2.85Å; Q235-V239 VanDerWaalsContact O-N 3.08Å
236H85.6Confident86.2Confident120 Ų12088.7 Ų88.756%0.55646%0.457SS*.Hα-helixtrans-58-42.2175.2-86.1-124.8000112.1I232 A233 V239 L240I232-H236 PolarHBondContact O-CD2 3.16Å; I232-H236 VanDerWaalsContact O-CD2 3.26Å; I232-H236 PolarHBondContact O-N 3.19Å; A233-H236 PolarHBondContact O-N 2.67Å; H236-V239 PolarHBondContact O-N 3.19Å; H236-L240 WeakPolarHBondContact O-CG 3.34Å; H236-L240 PolarHBondContact O-N 3.15Å; H236-L240 VanDerWaalsContact O-N 3.07Å
237K87.6Confident85.8Confident142 Ų14294.8 Ų94.862%0.61748%0.478SS*.Hα-helixtrans-63.7-42.7177.4-175177179.7175.70112.5A233 E234 Q235 L240 L241A233-K237 PolarHBondContact O-N 3.48Å; E234-K237 PolarHBondContact O-N 2.99Å; Q235-K237 VanDerWaalsContact C-N 3.3Å; Q235-K237 PolarHBondContact O-N 2.89Å; K237-L240 PolarHBondContact O-N 2.9Å; K237-L241 HydrophobicContact CG-CD1 4.28Å; K237-L241 WeakPolarHBondContact O-CG 3.31Å; K237-L241 PolarHBondContact O-N 3.01Å; K237-L241 VanDerWaalsContact O-N 3.08Å
238K86.8Confident85.6Confident137 Ų13798.8 Ų98.860%0.59648%0.481SS*.Hα-helixtrans-61.7-45.1177.8-73.7171.8-175.3169.10111.5E234 Q235 L240 L241 E242E234-K238 WeakPolarHBondContact O-CG 3.35Å; E234-K238 PolarHBondContact O-N 3.16Å; Q235-K238 PolarHBondContact O-N 2.92Å; K238-L240 VanDerWaalsContact C-N 3.35Å; K238-L240 PolarHBondContact O-N 3.19Å; K238-L241 PolarHBondContact O-N 2.85Å; K238-E242 WeakPolarHBondContact O-CB 3.47Å; K238-E242 PolarHBondContact O-N 3.11Å
239V87.4Confident84.8Confident74 Ų74102.7 Ų102.745%0.44850%0.499SS..Hα-helixtrans-61.1-43.6177.7172.90000111.2Q235 H236 L241 E242 L243Q235-V239 WeakPolarHBondContact O-CG2 3.45Å; Q235-V239 PolarHBondContact O-N 2.85Å; Q235-V239 VanDerWaalsContact O-N 3.08Å; H236-V239 PolarHBondContact O-N 3.19Å; V239-L241 PolarHBondContact O-N 2.92Å; V239-E242 PolarHBondContact O-N 3.41Å; V239-L243 HydrophobicContact CG1-CD1 4.02Å; V239-L243 HydrophobicContact CG1-CG 4.48Å; V239-L243 WeakPolarHBondContact O-CG 3.04Å; V239-L243 PolarHBondContact O-N 2.94Å
240L87Confident83.8Confident107 Ų107107.1 Ų107.156%0.5652%0.521SS*.Hα-helixtrans-60.9-44.2176.6-77.2167000112.5H236 K237 K238 E242 L243 E244H236-L240 WeakPolarHBondContact O-CG 3.34Å; H236-L240 PolarHBondContact O-N 3.15Å; H236-L240 VanDerWaalsContact O-N 3.07Å; K237-L240 PolarHBondContact O-N 2.9Å; K238-L240 VanDerWaalsContact C-N 3.35Å; K238-L240 PolarHBondContact O-N 3.19Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 3.37Å; L240-L243 PolarHBondContact O-N 2.89Å; L240-E244 WeakPolarHBondContact O-CG 3.44Å; L240-E244 PolarHBondContact O-N 3.24Å
241L88.3Confident82.4Confident94 Ų94106.3 Ų106.349%0.49252%0.522SS..Hα-helixtrans-65.8-36.9177.8-70.7170.8000112.4K237 K238 V239 E244 K245K237-L241 HydrophobicContact CG-CD1 4.28Å; K237-L241 WeakPolarHBondContact O-CG 3.31Å; K237-L241 PolarHBondContact O-N 3.01Å; K237-L241 VanDerWaalsContact O-N 3.08Å; K238-L241 PolarHBondContact O-N 2.85Å; V239-L241 PolarHBondContact O-N 2.92Å; L241-E244 PolarHBondContact O-N 2.93Å; L241-K245 WeakPolarHBondContact O-CB 3.37Å; L241-K245 PolarHBondContact O-N 2.9Å
242E85.7Confident81.1Confident118 Ų118110.7 Ų110.755%0.55153%0.532SS*.Hα-helixtrans-67.3-42.1175.9-169.2174.6-179.700111.6K238 V239 L240 E244 K245 N246K238-E242 WeakPolarHBondContact O-CB 3.47Å; K238-E242 PolarHBondContact O-N 3.11Å; V239-E242 PolarHBondContact O-N 3.41Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-E242 PolarHBondContact O-N 3.37Å; E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.49Å; E242-K245 PolarHBondContact O-N 2.83Å; E242-N246 WeakPolarHBondContact O-CB 3.17Å; E242-N246 VanDerWaalsContact O-CG 3.24Å; E242-N246 PolarHBondContact O-N 3.01Å
243L86.3Confident79.3Confident108 Ų108115.8 Ų115.857%0.56556%0.555SS**Hα-helixtrans-60.7-42.3173.2-73.4168.5000111.8V239 L240 N246 R247V239-L243 HydrophobicContact CG1-CD1 4.02Å; V239-L243 HydrophobicContact CG1-CG 4.48Å; V239-L243 WeakPolarHBondContact O-CG 3.04Å; V239-L243 PolarHBondContact O-N 2.94Å; L240-L243 PolarHBondContact O-N 2.89Å; L243-N246 PolarHBondContact O-N 3.04Å; L243-R247 WeakPolarHBondContact O-CB 3.25Å; L243-R247 PolarHBondContact O-N 3Å
244E86Confident77.6Confident89 Ų89117.6 Ų117.642%0.41656%0.564SS.*Hα-helixtrans-63.9-41.6175-75.5-178.7-175.800112.5L240 L241 E242 R247 R248L240-E244 WeakPolarHBondContact O-CG 3.44Å; L240-E244 PolarHBondContact O-N 3.24Å; L241-E244 PolarHBondContact O-N 2.93Å; E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.49Å; E244-R247 PolarHBondContact O-N 3.09Å; E244-R248 WeakPolarHBondContact O-CG 3.5Å; E244-R248 PolarHBondContact O-N 3.08Å
245K84.2Confident75.8Confident138 Ų138119.3 Ų119.360%0.657%0.572SS**Hα-helixtrans-64.3-46.7176.2-175.6-176.2176.1-172.70111L241 E242 R247 R248 M249L241-K245 WeakPolarHBondContact O-CB 3.37Å; L241-K245 PolarHBondContact O-N 2.9Å; E242-K245 PolarHBondContact O-N 2.83Å; K245-R247 VanDerWaalsContact C-N 3.3Å; K245-R247 PolarHBondContact O-N 2.87Å; K245-R248 PolarHBondContact O-N 3.18Å; K245-R248 VanDerWaalsContact O-N 3.13Å; K245-M249 WeakPolarHBondContact O-CG 3.28Å; K245-M249 PolarHBondContact O-N 3.31Å
246N82.3Confident74.1Confident85 Ų85119.4 Ų119.446%0.45558%0.581SS.*Hα-helixtrans-62.1-39.8177.7-71.4-10.1000111E242 L243 R248 M249 L250E242-N246 WeakPolarHBondContact O-CB 3.17Å; E242-N246 VanDerWaalsContact O-CG 3.24Å; E242-N246 PolarHBondContact O-N 3.01Å; L243-N246 PolarHBondContact O-N 3.04Å; N246-R248 PolarHBondContact O-N 2.91Å; N246-M249 PolarHBondContact O-N 2.87Å; N246-L250 WeakPolarHBondContact O-CB 3.48Å; N246-L250 PolarHBondContact O-N 2.86Å
247R81.4Confident72.3Confident185 Ų185116.8 Ų116.870%0.69859%0.587SS**Hα-helixtrans-61-41.8173-168.5178.472.1123.1-1.7112.4L243 E244 K245 S251L243-R247 WeakPolarHBondContact O-CB 3.25Å; L243-R247 PolarHBondContact O-N 3Å; E244-R247 PolarHBondContact O-N 3.09Å; K245-R247 VanDerWaalsContact C-N 3.3Å; K245-R247 PolarHBondContact O-N 2.87Å; R247-S251 PolarHBondContact O-N 2.96Å; R247-S251 VanDerWaalsContact O-N 3.13Å; R247-S251 PolarHBondContact O-OG 3.43Å
248R78.7Confident70.1Confident162 Ų162115 Ų11561%0.61159%0.592SS**Hα-helixtrans-69.4-31.3176.9-70.9176.3-168.3-173.46.6113.3E244 K245 N246 S251 K252E244-R248 WeakPolarHBondContact O-CG 3.5Å; E244-R248 PolarHBondContact O-N 3.08Å; K245-R248 PolarHBondContact O-N 3.18Å; K245-R248 VanDerWaalsContact O-N 3.13Å; N246-R248 PolarHBondContact O-N 2.91Å; R248-S251 WeakPolarHBondContact CA-OG 3.38Å; R248-S251 PolarHBondContact O-OG 2.86Å; R248-K252 PolarHBondContact O-N 3.02Å
249M70.4Confident68.2Low98 Ų98118.5 Ų118.548%0.48360%0.603SS.*Hα-helixtrans-72.4-43.9175.4-70.4-68-6700111K245 N246 S251 K252 E253K245-M249 WeakPolarHBondContact O-CG 3.28Å; K245-M249 PolarHBondContact O-N 3.31Å; N246-M249 PolarHBondContact O-N 2.87Å; M249-S251 VanDerWaalsContact C-N 3.29Å; M249-S251 PolarHBondContact O-N 3.5Å; M249-K252 WeakPolarHBondContact O-CA 3.43Å; M249-K252 WeakPolarHBondContact O-CB 3.4Å; M249-K252 PolarHBondContact O-N 3.16Å; M249-E253 PolarHBondContact O-N 3.31Å
250L66.6Low66.2Low124 Ų124121.1 Ų121.165%0.64962%0.621SS**Hα-helixtrans-63.4-35.1177.1-156.476.2000112.2N246 K252 S254N246-L250 WeakPolarHBondContact O-CB 3.48Å; N246-L250 PolarHBondContact O-N 2.86Å; L250-K252 VanDerWaalsContact C-N 3.32Å; L250-S254 PolarHBondContact O-N 3Å; L250-S254 PolarHBondContact O-OG 3.47Å
251S58.8Low63.6Low67 Ų67121.8 Ų121.847%0.46963%0.634SS.*Hα-helixtrans-71.6-22.8171.759.60000113.8R247 R248 M249 S254R247-S251 PolarHBondContact O-N 2.96Å; R247-S251 VanDerWaalsContact O-N 3.13Å; R247-S251 PolarHBondContact O-OG 3.43Å; R248-S251 WeakPolarHBondContact CA-OG 3.38Å; R248-S251 PolarHBondContact O-OG 2.86Å; M249-S251 VanDerWaalsContact C-N 3.29Å; M249-S251 PolarHBondContact O-N 3.5Å; S251-S254 WeakPolarHBondContact CA-OG 3.37Å; S251-S254 PolarHBondContact O-OG 3.29Å
252K56.3Low61.2Low143 Ų143123.2 Ų123.262%0.62265%0.646SS**Hα-helixtrans-84.4-34.7176.8-111179.2175.4-1770112.4R248 M249 L250 S254 E255 V256R248-K252 PolarHBondContact O-N 3.02Å; M249-K252 WeakPolarHBondContact O-CA 3.43Å; M249-K252 WeakPolarHBondContact O-CB 3.4Å; M249-K252 PolarHBondContact O-N 3.16Å; L250-K252 VanDerWaalsContact C-N 3.32Å; K252-S254 VanDerWaalsContact C-N 3.27Å; K252-S254 PolarHBondContact O-N 3.48Å; K252-E255 PolarHBondContact O-N 2.84Å; K252-V256 WeakPolarHBondContact O-CG2 3.44Å
253E49.6Very low59.3Low136 Ų136123.7 Ų123.764%0.63666%0.66SS**Hα-helixtrans-69.5-24.6175-81177.1158.900112.9M249 E255M249-E253 PolarHBondContact O-N 3.31Å; E253-E255 VanDerWaalsContact C-N 3.28Å; E253-E255 PolarHBondContact O-N 3.14Å
254S50.6Low56.9Low95 Ų95124.7 Ų124.766%0.66467%0.67SS**THydrogen-bonded Turntrans-76.2-11.8172.824.20000113.8L250 S251 K252L250-S254 PolarHBondContact O-N 3Å; L250-S254 PolarHBondContact O-OG 3.47Å; S251-S254 WeakPolarHBondContact CA-OG 3.37Å; S251-S254 PolarHBondContact O-OG 3.29Å; K252-S254 VanDerWaalsContact C-N 3.27Å; K252-S254 PolarHBondContact O-N 3.48Å
255E50.2Low54.5Low153 Ų153124.1 Ų124.172%0.71568%0.681SS**THydrogen-bonded Turntrans-95.6-12.8174.7-74-170.9158.200113.9K252 E253K252-E255 PolarHBondContact O-N 2.84Å; E253-E255 VanDerWaalsContact C-N 3.28Å; E253-E255 PolarHBondContact O-N 3.14Å
256V46.8Very low52.5Low132 Ų132125.5 Ų125.580%0.869%0.693SS**THydrogen-bonded Turntrans-91.33.3-176-177.10000112.9K252K252-V256 WeakPolarHBondContact O-CG2 3.44Å
257G47.4Very low50.4Low65 Ų65128.8 Ų128.867%0.6771%0.71SS**THydrogen-bonded Turntrans-10414.5177.400000116.3
258S42.2Very low48.4Very low104 Ų104125.4 Ų125.473%0.72771%0.712SS**  trans-108.7110.1178.6-175.20000111
259Y46.6Very low46.8Very low212 Ų212129.5 Ų129.583%0.83173%0.727SS**  trans-62.7142.4172-65-89.5000110.8C261Y259-C261 PolarHBondContact O-N 3.14Å
260P44.1Very low45.3Very low128 Ų128129.2 Ų129.283%0.83174%0.735SS**  trans-77.2113.2178.430-30.3000109.9
261C33.7Very low44.5Very low122 Ų122126.9 Ų126.982%0.82473%0.734SS**  trans-123.1109.1162.1-101.60000109.6Y259Y259-C261 PolarHBondContact O-N 3.14Å
262T37.6Very low44.1Very low123 Ų123132 Ų13276%0.75574%0.744SS**  trans18.9142.6157.547.20000121.8T264T262-T264 PolarHBondContact O-N 3.32Å
263P45.2Very low43.5Very low129 Ų129134.5 Ų134.584%0.83875%0.749SS**  trans-79.5113.1-178.533-30.6000111.3
264T35.4Very low43.4Very low128 Ų128135.7 Ų135.779%0.78576%0.755SS**  trans-142.3121.9163.4-50.40000112T262T262-T264 PolarHBondContact O-N 3.32Å
265A36.1Very low43.3Very low77 Ų77139.3 Ų139.364%0.63676%0.761SS**  trans59113.9154.400000119.4L267A265-L267 PolarHBondContact O-N 3.25Å; A265-L267 VanDerWaalsContact O-N 3.14Å
266I41.5Very low43.3Very low168 Ų168137.8 Ų137.886%0.86276%0.756SS**  trans-50.9113.7156.4-61.4163.4000108.1
267L39.4Very low43Very low154 Ų154137.5 Ų137.581%0.80676%0.755SS**PPolyproline II helixtrans-89.3127.9164.1-70.2176000108.9A265A265-L267 PolarHBondContact O-N 3.25Å; A265-L267 VanDerWaalsContact O-N 3.14Å
268P38.2Very low42.2Very low113 Ų113137.7 Ų137.773%0.73476%0.757SS**PPolyproline II helixtrans-67.4144.2-176.125.3-31.3000111.7S270P268-S270 PolarHBondContact O-N 3.27Å
269R45.3Very low41.7Very low249 Ų249140.6 Ų140.694%0.9476%0.764SS**PPolyproline II helixtrans-62.8130.4171.6-76179.2169.3165.5-3.1109.7A271R269-A271 PolarHBondContact O-N 3.4Å
270S39.7Very low41Very low91 Ų91139.9 Ų139.964%0.63677%0.769SS**PPolyproline II helixtrans-57.4129.7176.7172.40000112P268 Y272P268-S270 PolarHBondContact O-N 3.27Å; S270-Y272 PolarHBondContact O-N 3Å; S270-Y272 WeakPolarHBondContact OG-CB 3.3Å; S270-Y272 PolarHBondContact OG-N 2.76Å
271A49.6Very low40.3Very low76 Ų76140.5 Ų140.563%0.62877%0.77SS**G310 helixtrans-745.2175.900000114.1R269 W273R269-A271 PolarHBondContact O-N 3.4Å; A271-W273 VanDerWaalsContact C-N 3.34Å; A271-W273 PolarHBondContact O-N 3.48Å
272Y49.6Very low40.2Very low173 Ų173143.7 Ų143.768%0.67877%0.773SS**G310 helixtrans-75.9-13.5-171-171-107.3000115S270S270-Y272 PolarHBondContact O-N 3Å; S270-Y272 WeakPolarHBondContact OG-CB 3.3Å; S270-Y272 PolarHBondContact OG-N 2.76Å
273W44.7Very low39.9Very low196 Ų196147.2 Ų147.274%0.74278%0.783SS**G310 helixtrans-90.1-7.9-178-76.7104.7000115.3A271 H275A271-W273 VanDerWaalsContact C-N 3.34Å; A271-W273 PolarHBondContact O-N 3.48Å; W273-H275 VanDerWaalsContact C-N 3.33Å; W273-H275 PolarHBondContact O-N 2.93Å
274H48.3Very low39.3Very low161 Ų161148.2 Ų148.275%0.74578%0.782SS**G310 helixtrans-83.91.4-176.3-75.4-69.6000115
275H48.5Very low39.5Very low171 Ų171148.2 Ų148.279%0.79278%0.784SS**G310 helixtrans-107.3-1-176.9-70.4-70.2000115.6W273W273-H275 VanDerWaalsContact C-N 3.33Å; W273-H275 PolarHBondContact O-N 2.93Å
276I50.1Low39Very low121 Ų121147.3 Ų147.362%0.62178%0.782SS**SBendtrans-97.3-18.6-176.4-63.6-179.1000113.2
277T39.6Very low38.3Very low127 Ų127144.8 Ų144.878%0.77978%0.779SS**SBendtrans-152.2114.9174.849.30000112
278G31.5Very low37.8Very low69 Ų69144.3 Ų144.371%0.71178%0.777SS**  trans117.581.7156.800000115.3
279N30.2Very low37.3Very low164 Ų164143.3 Ų143.388%0.87777%0.773SS**  trans-161.695.3135-112.718.1000110.1
280Q32.5Very low36.7Very low198 Ų198138.3 Ų138.393%0.92576%0.764SS**  trans-159.9105.5139.6-108.3176.937.800107.7
281T30.5Very low36.1Very low140 Ų140142.1 Ų142.186%0.85977%0.769SS**  trans-135.3106.1157.7-23.60000104.6
282E31.6Very low35.1Very low189 Ų189145.5 Ų145.588%0.88378%0.776SS**  trans-178.9102.9144.3-105.1-178.1-170.600108.9
283M30.5Very low34Very low197 Ų197141.5 Ų141.597%0.9777%0.773SS**  trans171.6107.9138.8-96.8177.6147.900108.4
284D32.1Very low33.3Very low151 Ų151138.4 Ų138.481%0.80777%0.771SS**  trans-92.3154.6151.4-131.9-3.5000106.1
285P39.8Very low32.3Very low127 Ų127137.7 Ų137.783%0.82577%0.772SS**  cis-144.8161.246.636.8-16.1000116.5
286G26.2Very low31.4Very low58 Ų58134.5 Ų134.560%0.59877%0.768SS**  trans129.9129135.800000118.2
287S27.4Very low30.3Very low115 Ų115139.3 Ų139.380%0.80478%0.778SS**  trans86127.3151.670.20000120.4
288D28.5Very low29.7Very low144 Ų144139.6 Ų139.677%0.7778%0.775SS**  trans7797.1141.7-70.4-3.8000121
289S28.2Very low29.5Very low93 Ų93140.6 Ų140.665%0.6577%0.771SS**  52.8123.8118.762.70000119
290I30.9Very low29.5Very low143 Ų143137.9 Ų137.973%0.73377%0.765SS**  169.3114112.9-85.3157.8000109.6
291K28.8Very low29.3Very low172 Ų172137.1 Ų137.175%0.74876%0.759SS**  trans50.9133.7133.9-55.2179.4-177.9173.90120.9
292N28.4Very low29.2Very low146 Ų146136.8 Ų136.878%0.78175%0.751SS**  trans80.7140.1136.8-79.33.9000117.2
293C26.7Very low29.2Very low89 Ų89138.6 Ų138.660%0.60175%0.751SS**  cis-173.8146.7-18.4-141.60000105
294N29Very low29.4Very low132 Ų132135.8 Ų135.871%0.70676%0.758SS**  trans77.6114153.2-57.3-27.2000118.5
295N27.4Very low29.3Very low146 Ų146135 Ų13578%0.78176%0.756SS**  62.9128.972.2-93.4-2.9000111.5
296C29.1Very low28.7Very low104 Ų104135.4 Ų135.470%0.70375%0.752SS**  cis-147.1148.813.3-62.50000107.3
297R27.5Very low28.8Very low221 Ų221139.7 Ų139.783%0.83476%0.761SS**  42.1102.672.4-90.9-170.2179171.92112.4
298D27.1Very low28.9Very low133 Ų133141.2 Ų141.271%0.71176%0.758SS**  103.7143.982.7-112.4-23.1000110.7
299S27.4Very low28.9Very low90 Ų90141 Ų14163%0.62976%0.757SS**  trans75.3113.4150.4-51.60000117.6
300S29.9Very low29Very low108 Ų108144.2 Ų144.276%0.75577%0.765SS**  75.7155.377.1-60.60000114.8
301F28.4Very low28.9Very low181 Ų181144.3 Ų144.379%0.79477%0.767SS**  trans97.3106.5177.5-68.4-92.2000115.1
302L28.8Very low28.9Very low133 Ų133142.2 Ų142.270%0.69677%0.768SS**  86.1109.863.4-79.1170.9000113.7
303W30.6Very low28.9Very low228 Ų228141.8 Ų141.886%0.86477%0.767SS**  trans43.2119.3141.8-66.265.2000121.7
304A35.1Very low29.1Very low137 Ų137146.6 Ų146.6100%1.13278%0.782SS**  -145.10111.800000108.9R188R188-A304 PolarHBondContact NH1-O 3.03Å; R188-A304 PolarHBondContact NH2-O 3.04Å

Retrieved 304 of 304 residues in 109.5 ms (Link to these results)

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