A0A087YBL5_POEFO Loading...

Heterogeneous nuclear ribonucleoprotein H

AlphaFold DB , UniProt , Accession A0A087YBL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.2Very low58.1Low240 Ų24089.6 Ų89.6100%1.18251%0.508SS*.  0120.20-73.1173.6130.300106.9S3M1-S3 PolarHBondContact O-N 2.78Å
2S40.3Very low60.5Low113 Ų11382.2 Ų82.279%0.7947%0.466SS*.  trans-66.6106.1-178.446.50000110.5S4S2-S4 PolarHBondContact O-N 3.31Å
3S35.9Very low62.4Low113 Ų11385.4 Ų85.479%0.7947%0.466SS*.  trans-75.7104.5165.7-420000106.9M1 D5M1-S3 PolarHBondContact O-N 2.78Å; S3-D5 PolarHBondContact O-N 3.33Å
4S40.7Very low63.7Low102 Ų10279.7 Ų79.771%0.71344%0.437SS*.  trans-66.670.2170.6-59.50000110.2S2 D6S2-S4 PolarHBondContact O-N 3.31Å; S4-D6 PolarHBondContact O-N 3.35Å; S4-D6 VanDerWaalsContact O-N 3.07Å
5D47.1Very low65Low149 Ų14974.5 Ų74.580%0.79741%0.408SS*.  trans-81.845.3164.5-149.435.7000108.8S3 G7S3-D5 PolarHBondContact O-N 3.33Å; D5-G7 PolarHBondContact O-N 3.37Å
6D54.1Low65.8Low93 Ų9370.5 Ų70.550%0.49739%0.387SS..  trans-72.378.9169.9-86.1-26.9000106S4 Y8S4-D6 PolarHBondContact O-N 3.35Å; S4-D6 VanDerWaalsContact O-N 3.07Å; D6-Y8 PolarHBondContact O-N 2.91Å
7G61.5Low66.3Low21 Ų2178 Ų7822%0.21641%0.409CS..  trans-47.3138.5167.600000109.1D5 V9D5-G7 PolarHBondContact O-N 3.37Å; G7-V9 PolarHBondContact O-N 3.29Å
8Y76.9Confident66.8Low97 Ų9780.7 Ų80.738%0.3842%0.423SS..EExtended strand (participates in β ladder)trans-72.579.7-176-64.1-79.6000109.9D6 L58 A61 Y64D6-Y8 PolarHBondContact O-N 2.91Å; Y8-L58 WeakPolarHBondContact CB-O 3.41Å; Y8-L58 WeakPolarHBondContact O-CB 3.48Å; Y8-L58 PolarHBondContact O-N 3.3Å; Y8-A61 HydrophobicContact CD1-CB 4.47Å; Y8-A61 HydrophobicContact CE1-CB 3.65Å; Y8-A61 HydrophobicContact CE2-CB 4.27Å; Y8-A61 WeakPolarHBondContact OH-CB 3.46Å; Y8-Y64 HydrophobicContact CD1-CD1 4.43Å; Y8-Y64 HydrophobicContact CD1-CD2 4.2Å; Y8-Y64 AromaticContact CD1-CG 3.94Å; Y8-Y64 HydrophobicContact CD1-CG 3.94Å; Y8-Y64 HydrophobicContact CG-CD2 4.47Å; Y8-Y64 HydrophobicContact CG-CG 4.49Å
9V80.6Confident67.1Low0 Ų077.2 Ų77.20%041%0.406CS..EExtended strand (participates in β ladder)trans-94.2129.8-176.3-1760000111.2G7 F55 I56 E57 Y64 S85 H87 M90G7-V9 PolarHBondContact O-N 3.29Å; V9-F55 HydrophobicContact CG1-CB 4.39Å; V9-F55 HydrophobicContact CG1-CD1 4.08Å; V9-I56 CarbonylContact C-O 3.27Å; V9-I56 WeakPolarHBondContact CA-O 3.42Å; V9-E57 HydrophobicContact CG2-CG 4.39Å; V9-Y64 WeakPolarHBondContact O-CE2 3.46Å; V9-S85 CarbonylContact O-C 3.58Å; V9-S85 PolarHBondContact O-N 3.46Å; V9-H87 HydrophobicContact CG2-CB 4.21Å; V9-M90 HydrophobicContact CG1-CB 3.99Å; V9-M90 HydrophobicContact CG1-CG 4.29Å; V9-M90 HydrophobicContact CG1-SD 3.98Å; V9-M90 HydrophobicContact CG2-SD 4.02Å
10V85.9Confident67.7Low1 Ų175.5 Ų75.51%0.00640%0.401CS..EExtended strand (participates in β ladder)trans-115.7127.9178.1-179.20000108.4I12 F55 I56 L58 Y64 A67 V82V10-I12 HydrophobicContact CG1-CD1 4.43Å; V10-I12 HydrophobicContact CG1-CG1 4.17Å; V10-F55 CarbonylContact O-C 3.5Å; V10-F55 WeakPolarHBondContact O-CA 3.49Å; V10-I56 PolarHBondContact N-O 3.23Å; V10-I56 PolarHBondContact O-N 3.12Å; V10-L58 HydrophobicContact CG2-CD1 3.61Å; V10-L58 HydrophobicContact CG2-CG 4.44Å; V10-Y64 HydrophobicContact CG2-CD2 3.45Å; V10-Y64 VanDerWaalsContact CG2-CD2 3.45Å; V10-Y64 HydrophobicContact CG2-CE2 3.48Å; V10-Y64 VanDerWaalsContact CG2-CE2 3.48Å; V10-A67 HydrophobicContact CG2-CB 4.2Å; V10-V82 HydrophobicContact CG1-CG1 3.11Å
11R85.9Confident68.2Low57 Ų5774.7 Ų74.722%0.21539%0.393CS..EExtended strand (participates in β ladder)trans-95.5125.9173-178.817967.681.44.2108.8A54 F55 F83 S85R11-A54 CarbonylContact C-O 3.56Å; R11-A54 WeakPolarHBondContact CA-O 3.02Å; R11-F55 HydrophobicContact CB-CD1 3.88Å; R11-F55 HydrophobicContact CB-CE1 3.64Å; R11-F55 HydrophobicContact CB-CZ 4.28Å; R11-F55 HydrophobicContact CG-CD1 4.12Å; R11-F55 HydrophobicContact CG-CE1 3.6Å; R11-F55 HydrophobicContact CG-CE2 4.32Å; R11-F55 HydrophobicContact CG-CZ 3.71Å; R11-F83 HydrophobicContact CB-CB 4.32Å; R11-F83 PolarHBondContact N-O 2.67Å; R11-F83 WeakPolarHBondContact O-CA 3.47Å; R11-F83 WeakPolarHBondContact O-CB 3.38Å; R11-F83 PolarHBondContact O-N 2.92Å; R11-S85 VanDerWaalsContact CB-OG 3.29Å; R11-S85 WeakPolarHBondContact CB-OG 3.44Å
12I87.3Confident70.6Confident0 Ų067.6 Ų67.60%036%0.359CS..EExtended strand (participates in β ladder)trans-111.9140.6179.5-66139.5000109.3V10 L15 F28 E53 A54 I56 V80 E81 V82V10-I12 HydrophobicContact CG1-CD1 4.43Å; V10-I12 HydrophobicContact CG1-CG1 4.17Å; I12-L15 HydrophobicContact CG2-CD1 4.46Å; I12-L15 HydrophobicContact CG2-CD2 3.87Å; I12-L15 HydrophobicContact CG2-CG 4.08Å; I12-F28 HydrophobicContact CD1-CD2 4.25Å; I12-F28 HydrophobicContact CD1-CE1 4.49Å; I12-F28 HydrophobicContact CD1-CE2 3.3Å; I12-F28 HydrophobicContact CD1-CZ 3.46Å; I12-F28 VanDerWaalsContact CD1-CZ 3.46Å; I12-F28 HydrophobicContact CG1-CE2 4.06Å; I12-F28 HydrophobicContact CG1-CZ 3.83Å; I12-E53 CarbonylContact O-C 3.54Å; I12-E53 VanDerWaalsContact O-CA 3.24Å; I12-E53 WeakPolarHBondContact O-CA 2.99Å; I12-A54 PolarHBondContact N-O 3.39Å; I12-A54 PolarHBondContact O-N 3.06Å; I12-I56 HydrophobicContact CD1-CB 4.19Å; I12-I56 HydrophobicContact CD1-CD1 3.12Å; I12-I56 HydrophobicContact CD1-CG1 3.47Å; I12-I56 VanDerWaalsContact CD1-CG1 3.47Å; I12-V80 HydrophobicContact CG2-CG1 3.25Å; I12-E81 CarbonylContact C-O 3.53Å; I12-E81 VanDerWaalsContact CA-O 3.3Å; I12-E81 WeakPolarHBondContact CA-O 3.1Å; I12-V82 HydrophobicContact CG1-CG1 4.26Å; I12-V82 HydrophobicContact CG1-CG2 4.29Å
13R85.6Confident72.6Confident124 Ų12466.4 Ų66.447%0.46834%0.341SS..EExtended strand (participates in β ladder)trans-132.1158.8176.8-174172.5-171.6179.74.5110.1G52 E53 V80 E81 F83R13-G52 CarbonylContact C-O 3.54Å; R13-G52 WeakPolarHBondContact CA-O 3.2Å; R13-E53 HydrophobicContact CB-CG 4.24Å; R13-E53 HydrophobicContact CG-CG 3.89Å; R13-E53 IonicContact CZ-OE1 2.67Å; R13-E53 IonicContact NE-OE1 2.91Å; R13-V80 CarbonylContact O-C 3.46Å; R13-V80 WeakPolarHBondContact O-CA 3.4Å; R13-E81 HydrophobicContact CB-CB 4.38Å; R13-E81 PolarHBondContact N-O 3.15Å; R13-E81 PolarHBondContact O-N 2.91Å; R13-F83 HydrophobicContact CB-CE2 4.12Å
14G79.9Confident74.7Confident6 Ų661 Ų616%0.06230%0.304CS..  trans89.310.6176.300000113.2G52 R78G14-G52 PolarHBondContact N-O 3.03Å; G14-R78 WeakPolarHBondContact O-CB 3.37Å; G14-R78 PolarHBondContact O-NE 3.03Å
15L82.6Confident76.6Confident1 Ų157.4 Ų57.41%0.00528%0.28CS..  trans-60.3139.3172.6-59.8177.5000110I12 C19 V24 L42 G52 A54 M75 R78 V80I12-L15 HydrophobicContact CG2-CD1 4.46Å; I12-L15 HydrophobicContact CG2-CD2 3.87Å; I12-L15 HydrophobicContact CG2-CG 4.08Å; L15-C19 HydrophobicContact CB-CB 4.05Å; L15-V24 HydrophobicContact CD1-CG2 3.83Å; L15-V24 HydrophobicContact CD2-CG2 4.18Å; L15-L42 HydrophobicContact CD1-CD2 3.86Å; L15-G52 PolarHBondContact N-O 3.09Å; L15-G52 WeakPolarHBondContact O-CA 3.49Å; L15-A54 HydrophobicContact CD1-CB 3.48Å; L15-A54 VanDerWaalsContact CD1-CB 3.48Å; L15-M75 HydrophobicContact CD2-CE 3.2Å; L15-M75 HydrophobicContact CD2-SD 4.23Å; L15-R78 PolarHBondContact O-NH1 3.4Å; L15-R78 VanDerWaalsContact O-NH1 3.09Å; L15-V80 HydrophobicContact CD2-CG1 4.28Å; L15-V80 HydrophobicContact CD2-CG2 4.46Å
16P78.8Confident78.2Confident11 Ų1154.3 Ų54.37%0.07127%0.27CS..  trans-62.3152.1171.826.4-30.8000110.6N18 C19P16-N18 WeakPolarHBondContact CB-OD1 3.34Å; P16-N18 PolarHBondContact O-N 3.17Å; P16-N18 VanDerWaalsContact O-N 3.17Å; P16-C19 HydrophobicContact CG-CB 3.94Å; P16-C19 WeakPolarHBondContact O-CB 3.36Å; P16-C19 PolarHBondContact O-N 3.04Å
17W74.7Confident79.5Confident198 Ų19851.5 Ų51.575%0.7525%0.253SS*.THydrogen-bonded Turntrans-68.2-14.9-173.2-62.1-39000114.1S50W17-S50 WeakPolarHBondContact CA-OG 3.42Å; W17-S50 WeakPolarHBondContact CB-OG 2.86Å; W17-S50 PolarHBondContact O-OG 2.83Å; W17-S50 VanDerWaalsContact O-OG 3.07Å
18N74.4Confident80.3Confident126 Ų12650.6 Ų50.667%0.67424%0.243SC*.THydrogen-bonded Turntrans-95.66.8173.363.3-10.7000112.9P16 S20P16-N18 WeakPolarHBondContact CB-OD1 3.34Å; P16-N18 PolarHBondContact O-N 3.17Å; P16-N18 VanDerWaalsContact O-N 3.17Å; N18-S20 PolarHBondContact O-N 3.16Å
19C72.7Confident80.3Confident15 Ų1550 Ų5010%0.10125%0.254CS..  trans-69.2124.2-173.9-1640000111.1L15 P16 E23 V24L15-C19 HydrophobicContact CB-CB 4.05Å; P16-C19 HydrophobicContact CG-CB 3.94Å; P16-C19 WeakPolarHBondContact O-CB 3.36Å; P16-C19 PolarHBondContact O-N 3.04Å; C19-E23 WeakPolarHBondContact CA-OE2 3.4Å; C19-V24 VanDerWaalsContact SG-CG2 3.55Å
20S78.3Confident80.2Confident43 Ų4354.9 Ų54.930%0.30128%0.28SS..  trans-92.4158.3175.867.30000111.5N18 D22 E23 V24N18-S20 PolarHBondContact O-N 3.16Å; S20-D22 PolarHBondContact O-N 2.93Å; S20-E23 PolarHBondContact N-OE2 3.12Å; S20-E23 PolarHBondContact O-N 2.95Å; S20-E23 VanDerWaalsContact O-N 3.12Å; S20-E23 WeakPolarHBondContact OG-CG 3.48Å; S20-E23 PolarHBondContact OG-N 3.49Å; S20-V24 WeakPolarHBondContact O-CG2 3.1Å; S20-V24 PolarHBondContact O-N 3.38Å
21R79.4Confident79.7Confident59 Ų5955.2 Ų55.222%0.22328%0.282CS..Hα-helixtrans-55.7-32.9173.955.2-172.9-73.3160.9-5.7112.7A25 V37 S38 V40 L42 D102R21-A25 PolarHBondContact O-N 3.3Å; R21-V37 HydrophobicContact CB-CG1 3.8Å; R21-V37 HydrophobicContact CG-CG1 3.48Å; R21-V37 VanDerWaalsContact CG-CG1 3.48Å; R21-V37 PolarHBondContact NE-O 3.31Å; R21-V37 PolarHBondContact NH2-O 2.79Å; R21-S38 VanDerWaalsContact NH2-CA 3.33Å; R21-S38 PolarHBondContact NH2-OG 3.26Å; R21-V40 HydrophobicContact CB-CB 4.41Å; R21-V40 HydrophobicContact CB-CG1 4.3Å; R21-L42 HydrophobicContact CB-CD1 4.21Å; R21-D102 WeakPolarHBondContact CD-OD2 3.44Å; R21-D102 IonicContact NH1-OD2 3.41Å; R21-D102 PolarHBondContact NH1-OD2 2.84Å; R21-D102 VanDerWaalsContact NH1-OD2 3.09Å
22D80.2Confident79.2Confident90 Ų9057.8 Ų57.848%0.48130%0.3SS..Hα-helixtrans-71.3-37.9176.7-58.2-83.8000112.7S20 A25 S26S20-D22 PolarHBondContact O-N 2.93Å; D22-A25 PolarHBondContact O-N 3.31Å; D22-S26 WeakPolarHBondContact O-CB 3.48Å; D22-S26 PolarHBondContact O-N 3.31Å; D22-S26 PolarHBondContact O-OG 2.87Å
23E81.7Confident78.8Confident89 Ų8959 Ų5942%0.41631%0.306SS..Hα-helixtrans-66.7-40.5173.8-75.5175.2-174.600111.7C19 S20 A25 S26 F27C19-E23 WeakPolarHBondContact CA-OE2 3.4Å; S20-E23 PolarHBondContact N-OE2 3.12Å; S20-E23 PolarHBondContact O-N 2.95Å; S20-E23 VanDerWaalsContact O-N 3.12Å; S20-E23 WeakPolarHBondContact OG-CG 3.48Å; S20-E23 PolarHBondContact OG-N 3.49Å; E23-A25 VanDerWaalsContact C-N 3.35Å; E23-S26 WeakPolarHBondContact O-CB 3.49Å; E23-S26 PolarHBondContact O-N 2.85Å; E23-F27 PolarHBondContact O-N 3.07Å
24V81.2Confident77.9Confident0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-61.7-45.6173.8177.50000110.2L15 C19 S20 S26 F27 F28 V40 L42 I56L15-V24 HydrophobicContact CD1-CG2 3.83Å; L15-V24 HydrophobicContact CD2-CG2 4.18Å; C19-V24 VanDerWaalsContact SG-CG2 3.55Å; S20-V24 WeakPolarHBondContact O-CG2 3.1Å; S20-V24 PolarHBondContact O-N 3.38Å; V24-S26 VanDerWaalsContact C-N 3.28Å; V24-S26 PolarHBondContact O-N 2.86Å; V24-F27 PolarHBondContact O-N 2.79Å; V24-F28 HydrophobicContact CG1-CD2 4.1Å; V24-F28 HydrophobicContact CG1-CE2 4.29Å; V24-F28 VanDerWaalsContact O-CD2 3.31Å; V24-F28 WeakPolarHBondContact O-CD2 3.4Å; V24-F28 PolarHBondContact O-N 3.24Å; V24-F28 VanDerWaalsContact O-N 3.17Å; V24-V40 HydrophobicContact CB-CG1 3.93Å; V24-V40 HydrophobicContact CG1-CG1 3.69Å; V24-V40 HydrophobicContact CG1-CG2 4.28Å; V24-V40 HydrophobicContact CG2-CG1 4.44Å; V24-L42 HydrophobicContact CG2-CD2 4.47Å; V24-I56 HydrophobicContact CG1-CD1 3.49Å; V24-I56 VanDerWaalsContact CG1-CD1 3.49Å; V24-I56 HydrophobicContact CG1-CG1 4.17Å
25A80.8Confident77.1Confident25 Ų2558.1 Ų58.121%0.20733%0.325CS..Hα-helixtrans-60.2-38.8175.500000112.1R21 D22 E23 F28 S29 I33R21-A25 PolarHBondContact O-N 3.3Å; D22-A25 PolarHBondContact O-N 3.31Å; E23-A25 VanDerWaalsContact C-N 3.35Å; A25-F28 CarbonylContact O-C 3.57Å; A25-F28 VanDerWaalsContact O-C 3.27Å; A25-F28 PolarHBondContact O-N 3.26Å; A25-S29 PolarHBondContact O-N 3.24Å; A25-S29 VanDerWaalsContact O-N 3.15Å; A25-I33 HydrophobicContact CB-CD1 4.39Å
26S80.9Confident76.6Confident84 Ų8459.7 Ų59.759%0.58734%0.341SS*.Hα-helixtrans-66.5-37.5177.3-58.60000112.6D22 E23 V24 F28 S29D22-S26 WeakPolarHBondContact O-CB 3.48Å; D22-S26 PolarHBondContact O-N 3.31Å; D22-S26 PolarHBondContact O-OG 2.87Å; E23-S26 WeakPolarHBondContact O-CB 3.49Å; E23-S26 PolarHBondContact O-N 2.85Å; V24-S26 VanDerWaalsContact C-N 3.28Å; V24-S26 PolarHBondContact O-N 2.86Å; S26-F28 VanDerWaalsContact C-N 3.27Å; S26-F28 PolarHBondContact O-N 3.21Å; S26-S29 WeakPolarHBondContact O-CB 3.31Å; S26-S29 PolarHBondContact O-N 3.4Å; S26-S29 PolarHBondContact O-OG 3.24Å
27F80.4Confident75.8Confident34 Ų3461.5 Ų61.515%0.14935%0.352CS..Hα-helixtrans-66.5-31.6175.8-177.3-94.7000112.7E23 V24 K70 K73 M75 V80E23-F27 PolarHBondContact O-N 3.07Å; V24-F27 PolarHBondContact O-N 2.79Å; F27-K70 PolarHBondContact O-NZ 3.41Å; F27-K73 HydrophobicContact CE2-CB 3.78Å; F27-K73 HydrophobicContact CZ-CB 3.48Å; F27-K73 VanDerWaalsContact CZ-CB 3.48Å; F27-K73 HydrophobicContact CZ-CD 4.45Å; F27-M75 HydrophobicContact CB-CE 3.83Å; F27-M75 HydrophobicContact CB-CG 4.48Å; F27-M75 HydrophobicContact CB-SD 3.81Å; F27-M75 HydrophobicContact CD1-CE 3.69Å; F27-M75 HydrophobicContact CD2-CE 3.78Å; F27-M75 HydrophobicContact CD2-CG 3.31Å; F27-M75 HydrophobicContact CD2-SD 3.75Å; F27-M75 HydrophobicContact CE1-CE 4.01Å; F27-M75 HydrophobicContact CE2-CE 4.1Å; F27-M75 HydrophobicContact CE2-CG 3.51Å; F27-M75 HydrophobicContact CE2-SD 4.36Å; F27-M75 HydrophobicContact CG-CE 3.5Å; F27-M75 HydrophobicContact CG-CG 4.03Å; F27-M75 HydrophobicContact CG-SD 3.83Å; F27-M75 HydrophobicContact CZ-CE 4.15Å; F27-M75 HydrophobicContact CZ-CG 4.35Å; F27-V80 HydrophobicContact CE1-CB 4.36Å; F27-V80 HydrophobicContact CE1-CG1 4.13Å; F27-V80 HydrophobicContact CE2-CG2 4.29Å; F27-V80 HydrophobicContact CZ-CB 3.94Å; F27-V80 HydrophobicContact CZ-CG1 4.21Å; F27-V80 HydrophobicContact CZ-CG2 3.97Å
28F78.8Confident75.1Confident2 Ų256.6 Ų56.61%0.00935%0.348CS..THydrogen-bonded Turntrans-98.228.2174.8-68.3-78000112.9I12 V24 A25 S26 D30 C31 I33 I56 A67 K70 V82I12-F28 HydrophobicContact CD1-CD2 4.25Å; I12-F28 HydrophobicContact CD1-CE1 4.49Å; I12-F28 HydrophobicContact CD1-CE2 3.3Å; I12-F28 HydrophobicContact CD1-CZ 3.46Å; I12-F28 VanDerWaalsContact CD1-CZ 3.46Å; I12-F28 HydrophobicContact CG1-CE2 4.06Å; I12-F28 HydrophobicContact CG1-CZ 3.83Å; V24-F28 HydrophobicContact CG1-CD2 4.1Å; V24-F28 HydrophobicContact CG1-CE2 4.29Å; V24-F28 VanDerWaalsContact O-CD2 3.31Å; V24-F28 WeakPolarHBondContact O-CD2 3.4Å; V24-F28 PolarHBondContact O-N 3.24Å; V24-F28 VanDerWaalsContact O-N 3.17Å; A25-F28 CarbonylContact O-C 3.57Å; A25-F28 VanDerWaalsContact O-C 3.27Å; A25-F28 PolarHBondContact O-N 3.26Å; S26-F28 VanDerWaalsContact C-N 3.27Å; S26-F28 PolarHBondContact O-N 3.21Å; F28-D30 PolarHBondContact O-N 2.84Å; F28-C31 HydrophobicContact CB-CB 4.38Å; F28-C31 PolarHBondContact O-N 2.95Å; F28-C31 VanDerWaalsContact O-O 3.11Å; F28-I33 HydrophobicContact CB-CD1 4.09Å; F28-I56 HydrophobicContact CD2-CD1 3.23Å; F28-I56 HydrophobicContact CE2-CD1 3.45Å; F28-I56 VanDerWaalsContact CE2-CD1 3.45Å; F28-I56 HydrophobicContact CG-CD1 3.91Å; F28-I56 HydrophobicContact CZ-CD1 4.25Å; F28-A67 HydrophobicContact CD1-CB 4.2Å; F28-A67 HydrophobicContact CE1-CB 3.92Å; F28-K70 HydrophobicContact CD1-CD 4.39Å; F28-K70 HydrophobicContact CE1-CD 4.48Å; F28-V82 HydrophobicContact CZ-CG2 4.15Å
29S76.3Confident74.7Confident86 Ų8650.8 Ų50.860%0.60132%0.317SS*.THydrogen-bonded Turntrans-51.9-30.2176.758.40000114.3A25 S26 C31A25-S29 PolarHBondContact O-N 3.24Å; A25-S29 VanDerWaalsContact O-N 3.15Å; S26-S29 WeakPolarHBondContact O-CB 3.31Å; S26-S29 PolarHBondContact O-N 3.4Å; S26-S29 PolarHBondContact O-OG 3.24Å; S29-C31 PolarHBondContact O-N 3.43Å
30D77.8Confident74.8Confident102 Ų10250.4 Ų50.455%0.54532%0.315SS..THydrogen-bonded Turntrans-85.18.2-178.4-41.6-33.3000112.8F28 K70F28-D30 PolarHBondContact O-N 2.84Å; D30-K70 VanDerWaalsContact CG-NZ 3.3Å; D30-K70 WeakPolarHBondContact OD2-CE 3.46Å; D30-K70 IonicContact OD2-NZ 3.75Å; D30-K70 PolarHBondContact OD2-NZ 3.38Å
31C76.1Confident74.5Confident7 Ų749.2 Ų49.25%0.04731%0.306CS..SBendtrans-131.8130.9-176.7-58.90000110.3F28 S29 I33 L58 D63F28-C31 HydrophobicContact CB-CB 4.38Å; F28-C31 PolarHBondContact O-N 2.95Å; F28-C31 VanDerWaalsContact O-O 3.11Å; S29-C31 PolarHBondContact O-N 3.43Å; C31-I33 PolarHBondContact O-N 2.92Å; C31-I33 VanDerWaalsContact O-N 3.16Å; C31-L58 HydrophobicContact CB-CD2 3.98Å; C31-D63 WeakPolarHBondContact CA-OD1 3.25Å; C31-D63 HydrophobicContact CB-CB 4Å
32D75.9Confident74.5Confident111 Ų11147.5 Ų47.559%0.59430%0.301SS*.  trans-77.7103.5175.3-83.2-31.1000111.6K59 D63D32-K59 PolarHBondContact O-N 3Å; D32-D63 WeakPolarHBondContact CB-OD2 3.45Å; D32-D63 PolarHBondContact N-OD1 3.02Å; D32-D63 PolarHBondContact N-OD2 3.27Å
33I77.5Confident74.3Confident25 Ų2543.3 Ų43.313%0.12828%0.279CS..BIsolated β-bridgetrans-81.8129.5175.6-54172.5000109.8A25 F28 C31 G35 G36 V40 I56 E57 L58A25-I33 HydrophobicContact CB-CD1 4.39Å; F28-I33 HydrophobicContact CB-CD1 4.09Å; C31-I33 PolarHBondContact O-N 2.92Å; C31-I33 VanDerWaalsContact O-N 3.16Å; I33-G35 PolarHBondContact O-N 3.28Å; I33-G36 VanDerWaalsContact CG2-O 3.24Å; I33-G36 WeakPolarHBondContact CG2-O 3.4Å; I33-G36 PolarHBondContact O-N 3.37Å; I33-G36 VanDerWaalsContact O-N 3.09Å; I33-V40 HydrophobicContact CD1-CG2 4.17Å; I33-V40 HydrophobicContact CG2-CG2 4.49Å; I33-I56 HydrophobicContact CB-CG2 4.39Å; I33-I56 HydrophobicContact CD1-CG2 4.05Å; I33-I56 HydrophobicContact CG1-CG2 3.82Å; I33-I56 HydrophobicContact CG2-CG2 3.82Å; I33-E57 WeakPolarHBondContact CA-O 3.4Å; I33-E57 WeakPolarHBondContact CG2-O 3.24Å; I33-L58 HydrophobicContact CG1-CD2 3.96Å
34V68.6Low73.7Confident56 Ų5641.5 Ų41.534%0.33927%0.269SS..THydrogen-bonded Turntrans-64.3117.1175.3-179.50000109G36 G39 E57 K59V34-G36 VanDerWaalsContact C-N 3.26Å; V34-G36 PolarHBondContact O-N 3.22Å; V34-G39 WeakPolarHBondContact O-CA 3.35Å; V34-G39 PolarHBondContact O-N 3.17Å; V34-E57 HydrophobicContact CB-CB 4.46Å; V34-E57 HydrophobicContact CB-CG 4.11Å; V34-E57 HydrophobicContact CG2-CG 4.2Å; V34-E57 PolarHBondContact N-O 2.89Å; V34-K59 HydrophobicContact CG2-CB 3.63Å; V34-K59 HydrophobicContact CG2-CG 4.14Å
35G62.7Low72.9Confident57 Ų5743.6 Ų43.659%0.58828%0.281SS*.THydrogen-bonded Turntrans74.413.3-178.300000114.6I33 V37 S38I33-G35 PolarHBondContact O-N 3.28Å; G35-V37 PolarHBondContact O-N 3.08Å; G35-V37 VanDerWaalsContact O-N 3.16Å; G35-S38 WeakPolarHBondContact O-CB 3.42Å; G35-S38 PolarHBondContact O-N 3.1Å
36G71.6Confident71.5Confident34 Ų3450.6 Ų50.635%0.35131%0.307SS..G310 helixtrans55.2-117.7175.600000111.7I33 V34 S38 G39I33-G36 VanDerWaalsContact CG2-O 3.24Å; I33-G36 WeakPolarHBondContact CG2-O 3.4Å; I33-G36 PolarHBondContact O-N 3.37Å; I33-G36 VanDerWaalsContact O-N 3.09Å; V34-G36 VanDerWaalsContact C-N 3.26Å; V34-G36 PolarHBondContact O-N 3.22Å; G36-S38 PolarHBondContact O-N 3.44Å; G36-S38 VanDerWaalsContact O-N 3.16Å; G36-G39 PolarHBondContact O-N 3.2Å; G36-G39 VanDerWaalsContact O-N 3.15Å
37V62.2Low70.3Confident48 Ų4853 Ų5329%0.29131%0.309SS..G310 helixtrans-61-26.5178.9-145.90000112.3R21 G35 V40R21-V37 HydrophobicContact CB-CG1 3.8Å; R21-V37 HydrophobicContact CG-CG1 3.48Å; R21-V37 VanDerWaalsContact CG-CG1 3.48Å; R21-V37 PolarHBondContact NE-O 3.31Å; R21-V37 PolarHBondContact NH2-O 2.79Å; G35-V37 PolarHBondContact O-N 3.08Å; G35-V37 VanDerWaalsContact O-N 3.16Å; V37-V40 PolarHBondContact O-N 3.25Å
38S59.8Low69.2Low96 Ų9653.3 Ų53.367%0.67132%0.321SS*.G310 helixtrans-80.3-19.2-179.6-62.10000114R21 G35 G36R21-S38 VanDerWaalsContact NH2-CA 3.33Å; R21-S38 PolarHBondContact NH2-OG 3.26Å; G35-S38 WeakPolarHBondContact O-CB 3.42Å; G35-S38 PolarHBondContact O-N 3.1Å; G36-S38 PolarHBondContact O-N 3.44Å; G36-S38 VanDerWaalsContact O-N 3.16Å
39G65.3Low68.6Low3 Ų361.2 Ų61.23%0.03135%0.351CS..G310 helixtrans-78.5-9.6170.800000113.4V34 G36 I56 E57V34-G39 WeakPolarHBondContact O-CA 3.35Å; V34-G39 PolarHBondContact O-N 3.17Å; G36-G39 PolarHBondContact O-N 3.2Å; G36-G39 VanDerWaalsContact O-N 3.15Å; G39-I56 WeakPolarHBondContact O-CA 3.48Å; G39-E57 PolarHBondContact O-N 2.77Å; G39-E57 VanDerWaalsContact O-N 3.15Å
40V75.4Confident68.3Low8 Ų858.8 Ų58.85%0.04833%0.334CS..EExtended strand (participates in β ladder)trans-91.3110.9175.5-175.10000109.4R21 V24 I33 V37 I56R21-V40 HydrophobicContact CB-CB 4.41Å; R21-V40 HydrophobicContact CB-CG1 4.3Å; V24-V40 HydrophobicContact CB-CG1 3.93Å; V24-V40 HydrophobicContact CG1-CG1 3.69Å; V24-V40 HydrophobicContact CG1-CG2 4.28Å; V24-V40 HydrophobicContact CG2-CG1 4.44Å; I33-V40 HydrophobicContact CD1-CG2 4.17Å; I33-V40 HydrophobicContact CG2-CG2 4.49Å; V37-V40 PolarHBondContact O-N 3.25Å; V40-I56 HydrophobicContact CG1-CG1 4.48Å; V40-I56 HydrophobicContact CG2-CG1 4.28Å
41C72.9Confident67.9Low17 Ų1756.2 Ų56.212%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-106.3102.4174.7173.10000110.5A54 F55 M90 L94C41-A54 CarbonylContact O-C 3.59Å; C41-A54 VanDerWaalsContact O-CA 3.27Å; C41-A54 WeakPolarHBondContact O-CA 3.37Å; C41-F55 HydrophobicContact CB-CB 4.28Å; C41-F55 PolarHBondContact N-O 3.38Å; C41-F55 PolarHBondContact O-N 3.29Å; C41-M90 HydrophobicContact CB-CE 4Å; C41-L94 WeakPolarHBondContact SG-CD2 3.49Å
42L78.3Confident67.9Low23 Ų2356 Ų5612%0.1232%0.322CS..EExtended strand (participates in β ladder)trans-73.2133.8169.8-70.4161.6000110.1L15 R21 V24 Y44 A54L15-L42 HydrophobicContact CD1-CD2 3.86Å; R21-L42 HydrophobicContact CB-CD1 4.21Å; V24-L42 HydrophobicContact CG2-CD2 4.47Å; L42-Y44 HydrophobicContact CB-CE2 3.72Å; L42-Y44 WeakPolarHBondContact O-CD2 3.35Å; L42-Y44 WeakPolarHBondContact O-CE2 3.5Å; L42-A54 HydrophobicContact CD2-CB 3.9Å
43T75.9Confident68.2Low3 Ų353 Ų532%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-90.9140.3171.767.70000110.8T51 E53 F55 V93T43-T51 PolarHBondContact O-N 2.9Å; T43-T51 PolarHBondContact O-OG1 3.16Å; T43-T51 PolarHBondContact OG1-OG1 2.76Å; T43-E53 PolarHBondContact N-O 3.3Å; T43-E53 VanDerWaalsContact OG1-CB 3.28Å; T43-E53 WeakPolarHBondContact OG1-CB 3.4Å; T43-E53 PolarHBondContact OG1-O 3.29Å; T43-F55 HydrophobicContact CG2-CD2 3.7Å; T43-F55 HydrophobicContact CG2-CE2 3.54Å; T43-V93 HydrophobicContact CG2-CG1 3.65Å
44Y70.2Confident68.6Low51 Ų5151.8 Ų51.820%0.230%0.298CS..EExtended strand (participates in β ladder)trans-118.4148.8176.1-58.9-88.3000108.3L42 R49 S97 P101L42-Y44 HydrophobicContact CB-CE2 3.72Å; L42-Y44 WeakPolarHBondContact O-CD2 3.35Å; L42-Y44 WeakPolarHBondContact O-CE2 3.5Å; Y44-R49 WeakPolarHBondContact CA-O 3.13Å; Y44-S97 WeakPolarHBondContact O-CB 3.45Å; Y44-S97 PolarHBondContact O-OG 3.45Å; Y44-P101 HydrophobicContact CD2-CG 4.18Å; Y44-P101 HydrophobicContact CE1-CG 4.49Å; Y44-P101 HydrophobicContact CE2-CG 3.66Å
45T63.6Low69.4Low43 Ų4349.3 Ų49.326%0.26428%0.282SS..  trans-66.4163.9167.261.80000109.3E47 G48 R49 T51T45-E47 PolarHBondContact O-N 2.83Å; T45-E47 PolarHBondContact OG1-N 3.48Å; T45-G48 PolarHBondContact O-N 3.16Å; T45-R49 PolarHBondContact N-O 3.17Å; T45-R49 PolarHBondContact OG1-N 3.15Å; T45-R49 VanDerWaalsContact OG1-N 3.17Å; T45-R49 PolarHBondContact OG1-O 3.44Å; T45-T51 HydrophobicContact CG2-CG2 3.37Å
46K52.6Low70.4Confident172 Ų17246.7 Ų46.775%0.74826%0.255SS*.THydrogen-bonded Turntrans-55.3-17.5170.3-64.8-178.8179.1179.60113.3
47E54.1Low70.9Confident136 Ų13647.5 Ų47.564%0.63625%0.25SC*.THydrogen-bonded Turntrans-93.42.3178.3-60.5161.2-16700112.8T45 R49T45-E47 PolarHBondContact O-N 2.83Å; T45-E47 PolarHBondContact OG1-N 3.48Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 3.24Å; E47-R49 IonicContact OE2-CZ 3.97Å; E47-R49 IonicContact OE2-NH1 3.53Å; E47-R49 PolarHBondContact OE2-NH1 3.15Å
48G57.1Low71.9Confident39 Ų3945.4 Ų45.440%0.40224%0.237SC..SBendtrans75.77.9-179.700000114.7T45T45-G48 PolarHBondContact O-N 3.16Å
49R66.4Low72.9Confident169 Ų16948.3 Ų48.364%0.63824%0.237SC*.  trans-79.4137.5172.6-65.9-173.2-173.8130.7-8.8109.9Y44 T45 E47 T51Y44-R49 WeakPolarHBondContact CA-O 3.13Å; T45-R49 PolarHBondContact N-O 3.17Å; T45-R49 PolarHBondContact OG1-N 3.15Å; T45-R49 VanDerWaalsContact OG1-N 3.17Å; T45-R49 PolarHBondContact OG1-O 3.44Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 3.24Å; E47-R49 IonicContact OE2-CZ 3.97Å; E47-R49 IonicContact OE2-NH1 3.53Å; E47-R49 PolarHBondContact OE2-NH1 3.15Å; R49-T51 PolarHBondContact O-N 3.18Å
50S70.1Confident73.7Confident34 Ų3450.7 Ų50.724%0.23825%0.251CS..EExtended strand (participates in β ladder)trans-60.3117.1168.354.80000109.3W17 G52W17-S50 WeakPolarHBondContact CA-OG 3.42Å; W17-S50 WeakPolarHBondContact CB-OG 2.86Å; W17-S50 PolarHBondContact O-OG 2.83Å; W17-S50 VanDerWaalsContact O-OG 3.07Å; S50-G52 PolarHBondContact O-N 2.8Å
51T70.5Confident74Confident48 Ų4851.8 Ų51.829%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-69.4-12.1174.448.40000112.2T43 T45 R49 E53T43-T51 PolarHBondContact O-N 2.9Å; T43-T51 PolarHBondContact O-OG1 3.16Å; T43-T51 PolarHBondContact OG1-OG1 2.76Å; T45-T51 HydrophobicContact CG2-CG2 3.37Å; R49-T51 PolarHBondContact O-N 3.18Å; T51-E53 PolarHBondContact OG1-N 3.35Å
52G74.8Confident74.5Confident4 Ų455.2 Ų55.24%0.04128%0.278CS..EExtended strand (participates in β ladder)trans72.321.6-169.400000112R13 G14 L15 S50R13-G52 CarbonylContact C-O 3.54Å; R13-G52 WeakPolarHBondContact CA-O 3.2Å; G14-G52 PolarHBondContact N-O 3.03Å; L15-G52 PolarHBondContact N-O 3.09Å; L15-G52 WeakPolarHBondContact O-CA 3.49Å; S50-G52 PolarHBondContact O-N 2.8Å
53E83.7Confident74.7Confident47 Ų4755 Ų5522%0.2228%0.277CS..EExtended strand (participates in β ladder)trans-115.5141.6175.3-67.6174.5175.600110.1I12 R13 T43 T51I12-E53 CarbonylContact O-C 3.54Å; I12-E53 VanDerWaalsContact O-CA 3.24Å; I12-E53 WeakPolarHBondContact O-CA 2.99Å; R13-E53 HydrophobicContact CB-CG 4.24Å; R13-E53 HydrophobicContact CG-CG 3.89Å; R13-E53 IonicContact CZ-OE1 2.67Å; R13-E53 IonicContact NE-OE1 2.91Å; T43-E53 PolarHBondContact N-O 3.3Å; T43-E53 VanDerWaalsContact OG1-CB 3.28Å; T43-E53 WeakPolarHBondContact OG1-CB 3.4Å; T43-E53 PolarHBondContact OG1-O 3.29Å; T51-E53 PolarHBondContact OG1-N 3.35Å
54A84.8Confident75Confident0 Ų055.8 Ų55.80%028%0.28CS..EExtended strand (participates in β ladder)trans-140.9158.9175.900000110.6R11 I12 L15 C41 L42R11-A54 CarbonylContact C-O 3.56Å; R11-A54 WeakPolarHBondContact CA-O 3.02Å; I12-A54 PolarHBondContact N-O 3.39Å; I12-A54 PolarHBondContact O-N 3.06Å; L15-A54 HydrophobicContact CD1-CB 3.48Å; L15-A54 VanDerWaalsContact CD1-CB 3.48Å; C41-A54 CarbonylContact O-C 3.59Å; C41-A54 VanDerWaalsContact O-CA 3.27Å; C41-A54 WeakPolarHBondContact O-CA 3.37Å; L42-A54 HydrophobicContact CD2-CB 3.9Å
55F85.3Confident75.7Confident3 Ų359.2 Ų59.21%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-118138.6168.6-67.4-94.9000108.5V9 V10 R11 C41 T43 M90 V93V9-F55 HydrophobicContact CG1-CB 4.39Å; V9-F55 HydrophobicContact CG1-CD1 4.08Å; V10-F55 CarbonylContact O-C 3.5Å; V10-F55 WeakPolarHBondContact O-CA 3.49Å; R11-F55 HydrophobicContact CB-CD1 3.88Å; R11-F55 HydrophobicContact CB-CE1 3.64Å; R11-F55 HydrophobicContact CB-CZ 4.28Å; R11-F55 HydrophobicContact CG-CD1 4.12Å; R11-F55 HydrophobicContact CG-CE1 3.6Å; R11-F55 HydrophobicContact CG-CE2 4.32Å; R11-F55 HydrophobicContact CG-CZ 3.71Å; C41-F55 HydrophobicContact CB-CB 4.28Å; C41-F55 PolarHBondContact N-O 3.38Å; C41-F55 PolarHBondContact O-N 3.29Å; T43-F55 HydrophobicContact CG2-CD2 3.7Å; T43-F55 HydrophobicContact CG2-CE2 3.54Å; F55-M90 HydrophobicContact CB-CB 4.5Å; F55-M90 HydrophobicContact CB-CE 4.2Å; F55-M90 HydrophobicContact CB-CG 3.83Å; F55-M90 HydrophobicContact CD1-CB 3.93Å; F55-M90 HydrophobicContact CD1-CG 4.17Å; F55-M90 HydrophobicContact CE1-CB 4.44Å; F55-M90 HydrophobicContact CG-CB 4.27Å; F55-M90 HydrophobicContact CG-CG 4.02Å; F55-V93 HydrophobicContact CE2-CB 3.96Å; F55-V93 HydrophobicContact CE2-CG1 3.66Å; F55-V93 HydrophobicContact CE2-CG2 4.36Å; F55-V93 HydrophobicContact CZ-CB 3.98Å; F55-V93 HydrophobicContact CZ-CG1 4.08Å; F55-V93 HydrophobicContact CZ-CG2 3.93Å
56I84Confident76.7Confident2 Ų261 Ų611%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-123.8131.6175.4-62.6-176.3000108.3V9 V10 I12 V24 F28 I33 G39 V40 L58V9-I56 CarbonylContact C-O 3.27Å; V9-I56 WeakPolarHBondContact CA-O 3.42Å; V10-I56 PolarHBondContact N-O 3.23Å; V10-I56 PolarHBondContact O-N 3.12Å; I12-I56 HydrophobicContact CD1-CB 4.19Å; I12-I56 HydrophobicContact CD1-CD1 3.12Å; I12-I56 HydrophobicContact CD1-CG1 3.47Å; I12-I56 VanDerWaalsContact CD1-CG1 3.47Å; V24-I56 HydrophobicContact CG1-CD1 3.49Å; V24-I56 VanDerWaalsContact CG1-CD1 3.49Å; V24-I56 HydrophobicContact CG1-CG1 4.17Å; F28-I56 HydrophobicContact CD2-CD1 3.23Å; F28-I56 HydrophobicContact CE2-CD1 3.45Å; F28-I56 VanDerWaalsContact CE2-CD1 3.45Å; F28-I56 HydrophobicContact CG-CD1 3.91Å; F28-I56 HydrophobicContact CZ-CD1 4.25Å; I33-I56 HydrophobicContact CB-CG2 4.39Å; I33-I56 HydrophobicContact CD1-CG2 4.05Å; I33-I56 HydrophobicContact CG1-CG2 3.82Å; I33-I56 HydrophobicContact CG2-CG2 3.82Å; G39-I56 WeakPolarHBondContact O-CA 3.48Å; V40-I56 HydrophobicContact CG1-CG1 4.48Å; V40-I56 HydrophobicContact CG2-CG1 4.28Å; I56-L58 HydrophobicContact CG2-CD2 3.78Å; I56-L58 HydrophobicContact CG2-CG 4.17Å
57E82.6Confident78.1Confident52 Ų5252.8 Ų52.824%0.24327%0.268CS..EExtended strand (participates in β ladder)trans-97.4118.3172.1-171.1171.5-166.700110.5V9 I33 V34 G39V9-E57 HydrophobicContact CG2-CG 4.39Å; I33-E57 WeakPolarHBondContact CA-O 3.4Å; I33-E57 WeakPolarHBondContact CG2-O 3.24Å; V34-E57 HydrophobicContact CB-CB 4.46Å; V34-E57 HydrophobicContact CB-CG 4.11Å; V34-E57 HydrophobicContact CG2-CG 4.2Å; V34-E57 PolarHBondContact N-O 2.89Å; G39-E57 PolarHBondContact O-N 2.77Å; G39-E57 VanDerWaalsContact O-N 3.15Å
58L83.1Confident79.6Confident4 Ų449.2 Ų49.22%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-102.7148.9-178.8-60.7172.5000111Y8 V10 C31 I33 I56 D63 Y64 A67Y8-L58 WeakPolarHBondContact CB-O 3.41Å; Y8-L58 WeakPolarHBondContact O-CB 3.48Å; Y8-L58 PolarHBondContact O-N 3.3Å; V10-L58 HydrophobicContact CG2-CD1 3.61Å; V10-L58 HydrophobicContact CG2-CG 4.44Å; C31-L58 HydrophobicContact CB-CD2 3.98Å; I33-L58 HydrophobicContact CG1-CD2 3.96Å; I56-L58 HydrophobicContact CG2-CD2 3.78Å; I56-L58 HydrophobicContact CG2-CG 4.17Å; L58-D63 HydrophobicContact CB-CB 4.38Å; L58-D63 HydrophobicContact CD1-CB 4.33Å; L58-D63 HydrophobicContact CD2-CB 4.42Å; L58-Y64 HydrophobicContact CD1-CD2 4.28Å; L58-A67 HydrophobicContact CD1-CB 3.8Å
59K80.2Confident80.9Confident156 Ų15651.2 Ų51.268%0.67827%0.266SS*.SBendtrans-86.2-38.1-177.3-165177.6177.9-175.80111.9D32 V34D32-K59 PolarHBondContact O-N 3Å; V34-K59 HydrophobicContact CG2-CB 3.63Å; V34-K59 HydrophobicContact CG2-CG 4.14Å
60T82.3Confident81.5Confident53 Ų5343.8 Ų43.833%0.32524%0.238SC..SBendtrans-110.2144.8-171.2-34.80000111.5D62 D63 Y64T60-D62 HydrophobicContact CG2-CB 4.38Å; T60-D62 PolarHBondContact O-N 2.87Å; T60-D63 WeakPolarHBondContact CB-OD2 3.44Å; T60-D63 PolarHBondContact O-N 3.48Å; T60-D63 PolarHBondContact OG1-OD2 3.11Å; T60-Y64 PolarHBondContact O-N 3.44Å
61A81.8Confident82.2Confident32 Ų3245.2 Ų45.226%0.26424%0.243SC..Hα-helixtrans-62.8-2617300000113.4Y8 Y64 K65Y8-A61 HydrophobicContact CD1-CB 4.47Å; Y8-A61 HydrophobicContact CE1-CB 3.65Å; Y8-A61 HydrophobicContact CE2-CB 4.27Å; Y8-A61 WeakPolarHBondContact OH-CB 3.46Å; A61-Y64 WeakPolarHBondContact O-CB 3.31Å; A61-K65 PolarHBondContact O-N 3.3Å
62D82.9Confident82.6Confident88 Ų8851.3 Ų51.347%0.47126%0.261SS..Hα-helixtrans-80.6-37.5179.5-64.5-42.4000111.7T60 Y64 K65 N66T60-D62 HydrophobicContact CG2-CB 4.38Å; T60-D62 PolarHBondContact O-N 2.87Å; D62-Y64 PolarHBondContact O-N 3.38Å; D62-K65 PolarHBondContact O-N 3.33Å; D62-K65 VanDerWaalsContact O-N 3.12Å; D62-K65 IonicContact OD1-NZ 2.92Å; D62-K65 PolarHBondContact OD1-NZ 3.33Å; D62-N66 VanDerWaalsContact O-CG 3.23Å; D62-N66 PolarHBondContact O-N 2.75Å; D62-N66 PolarHBondContact O-ND2 3.27Å
63D83Confident83Confident18 Ų1855.9 Ų55.910%0.09628%0.28CS..Hα-helixtrans-58.4-37.6169.3-63.4-42.9000111.4C31 D32 L58 T60 K65 N66 A67C31-D63 WeakPolarHBondContact CA-OD1 3.25Å; C31-D63 HydrophobicContact CB-CB 4Å; D32-D63 WeakPolarHBondContact CB-OD2 3.45Å; D32-D63 PolarHBondContact N-OD1 3.02Å; D32-D63 PolarHBondContact N-OD2 3.27Å; L58-D63 HydrophobicContact CB-CB 4.38Å; L58-D63 HydrophobicContact CD1-CB 4.33Å; L58-D63 HydrophobicContact CD2-CB 4.42Å; T60-D63 WeakPolarHBondContact CB-OD2 3.44Å; T60-D63 PolarHBondContact O-N 3.48Å; T60-D63 PolarHBondContact OG1-OD2 3.11Å; D63-K65 PolarHBondContact O-N 3.09Å; D63-N66 PolarHBondContact O-N 2.98Å; D63-A67 WeakPolarHBondContact O-CB 3.23Å; D63-A67 PolarHBondContact O-N 3.39Å
64Y82.6Confident82.7Confident21 Ų2161.6 Ų61.68%0.08230%0.3CS..Hα-helixtrans-61.3-42.8175.8-174.1-99.5000113.2Y8 V9 V10 L58 T60 A61 D62 L68 K84Y8-Y64 HydrophobicContact CD1-CD1 4.43Å; Y8-Y64 HydrophobicContact CD1-CD2 4.2Å; Y8-Y64 AromaticContact CD1-CG 3.94Å; Y8-Y64 HydrophobicContact CD1-CG 3.94Å; Y8-Y64 HydrophobicContact CG-CD2 4.47Å; Y8-Y64 HydrophobicContact CG-CG 4.49Å; V9-Y64 WeakPolarHBondContact O-CE2 3.46Å; V10-Y64 HydrophobicContact CG2-CD2 3.45Å; V10-Y64 VanDerWaalsContact CG2-CD2 3.45Å; V10-Y64 HydrophobicContact CG2-CE2 3.48Å; V10-Y64 VanDerWaalsContact CG2-CE2 3.48Å; L58-Y64 HydrophobicContact CD1-CD2 4.28Å; T60-Y64 PolarHBondContact O-N 3.44Å; A61-Y64 WeakPolarHBondContact O-CB 3.31Å; D62-Y64 PolarHBondContact O-N 3.38Å; Y64-L68 HydrophobicContact CD1-CD1 3.82Å; Y64-L68 HydrophobicContact CE1-CD1 3.49Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.49Å; Y64-L68 WeakPolarHBondContact O-CD1 3.41Å; Y64-L68 WeakPolarHBondContact O-CG 3.48Å; Y64-L68 PolarHBondContact O-N 2.77Å; Y64-L68 VanDerWaalsContact O-N 3.17Å; Y64-K84 HydrophobicContact CE1-CD 4.24Å; Y64-K84 WeakPolarHBondContact OH-CA 3.43Å; Y64-K84 WeakPolarHBondContact OH-CB 3.5Å; Y64-K84 WeakPolarHBondContact OH-CD 3.3Å; Y64-K84 WeakPolarHBondContact OH-CE 3.44Å; Y64-K84 WeakPolarHBondContact OH-CG 3.48Å
65K84.6Confident82.3Confident123 Ų12362.6 Ų62.654%0.53531%0.305SS..Hα-helixtrans-68.2-40.1174.6-64.9171.9-161.3149.40111.1A61 D62 D63 A67 L68 A69A61-K65 PolarHBondContact O-N 3.3Å; D62-K65 PolarHBondContact O-N 3.33Å; D62-K65 VanDerWaalsContact O-N 3.12Å; D62-K65 IonicContact OD1-NZ 2.92Å; D62-K65 PolarHBondContact OD1-NZ 3.33Å; D63-K65 PolarHBondContact O-N 3.09Å; K65-A67 VanDerWaalsContact C-N 3.35Å; K65-L68 PolarHBondContact O-N 2.74Å; K65-A69 PolarHBondContact O-N 2.74Å
66N83.5Confident81.7Confident79 Ų7966.1 Ų66.142%0.42234%0.342SS..Hα-helixtrans-63.9-40.7177.8-67.8-21.9000111.5D62 D63 A69 K70D62-N66 VanDerWaalsContact O-CG 3.23Å; D62-N66 PolarHBondContact O-N 2.75Å; D62-N66 PolarHBondContact O-ND2 3.27Å; D63-N66 PolarHBondContact O-N 2.98Å; N66-A69 PolarHBondContact O-N 3.3Å; N66-K70 WeakPolarHBondContact O-CG 3.29Å; N66-K70 PolarHBondContact O-N 2.82Å
67A82.9Confident81.3Confident1 Ų173.6 Ų73.61%0.00838%0.377CS..Hα-helixtrans-62.6-44175.300000111.5V10 F28 L58 D63 K65 A69 K70 V82V10-A67 HydrophobicContact CG2-CB 4.2Å; F28-A67 HydrophobicContact CD1-CB 4.2Å; F28-A67 HydrophobicContact CE1-CB 3.92Å; L58-A67 HydrophobicContact CD1-CB 3.8Å; D63-A67 WeakPolarHBondContact O-CB 3.23Å; D63-A67 PolarHBondContact O-N 3.39Å; K65-A67 VanDerWaalsContact C-N 3.35Å; A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 3.26Å; A67-K70 WeakPolarHBondContact O-CB 3.39Å; A67-K70 PolarHBondContact O-N 2.77Å; A67-K70 VanDerWaalsContact O-N 3.08Å; A67-V82 WeakPolarHBondContact O-CG1 3.43Å
68L84.7Confident81.2Confident61 Ų6174.8 Ų74.832%0.31938%0.379SS..Hα-helixtrans-63-36.3174.8-74.9162000112.5Y64 K65 K70 D71 K84Y64-L68 HydrophobicContact CD1-CD1 3.82Å; Y64-L68 HydrophobicContact CE1-CD1 3.49Å; Y64-L68 VanDerWaalsContact CE1-CD1 3.49Å; Y64-L68 WeakPolarHBondContact O-CD1 3.41Å; Y64-L68 WeakPolarHBondContact O-CG 3.48Å; Y64-L68 PolarHBondContact O-N 2.77Å; Y64-L68 VanDerWaalsContact O-N 3.17Å; K65-L68 PolarHBondContact O-N 2.74Å; L68-K70 PolarHBondContact O-N 2.82Å; L68-D71 WeakPolarHBondContact O-CB 3.22Å; L68-D71 PolarHBondContact O-N 3.04Å; L68-K84 HydrophobicContact CD2-CB 4.3Å
69A85.4Confident81.3Confident81 Ų8180.2 Ų80.267%0.66940%0.4SS*.Hα-helixtrans-69.1-16.2175.400000113.3K65 N66 A67 D71K65-A69 PolarHBondContact O-N 2.74Å; N66-A69 PolarHBondContact O-N 3.3Å; A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 3.26Å; A69-D71 VanDerWaalsContact C-N 3.29Å
70K78.6Confident81.6Confident13 Ų1372.8 Ų72.86%0.05737%0.368CS..THydrogen-bonded Turntrans-86.79.4175.2-71.4-173.8176-177.40113.8F27 F28 D30 N66 A67 L68 K73F27-K70 PolarHBondContact O-NZ 3.41Å; F28-K70 HydrophobicContact CD1-CD 4.39Å; F28-K70 HydrophobicContact CE1-CD 4.48Å; D30-K70 VanDerWaalsContact CG-NZ 3.3Å; D30-K70 WeakPolarHBondContact OD2-CE 3.46Å; D30-K70 IonicContact OD2-NZ 3.75Å; D30-K70 PolarHBondContact OD2-NZ 3.38Å; N66-K70 WeakPolarHBondContact O-CG 3.29Å; N66-K70 PolarHBondContact O-N 2.82Å; A67-K70 WeakPolarHBondContact O-CB 3.39Å; A67-K70 PolarHBondContact O-N 2.77Å; A67-K70 VanDerWaalsContact O-N 3.08Å; L68-K70 PolarHBondContact O-N 2.82Å; K70-K73 HydrophobicContact CB-CD 4Å; K70-K73 HydrophobicContact CD-CD 4.46Å; K70-K73 HydrophobicContact CG-CD 3.97Å; K70-K73 WeakPolarHBondContact O-CB 3.43Å; K70-K73 PolarHBondContact O-N 3.17Å
71D84.2Confident81.8Confident63 Ų6372.6 Ų72.634%0.33736%0.363SS..THydrogen-bonded Turntrans-55.4139173-173.750.3000111.9L68 A69 K73 E81 V82L68-D71 WeakPolarHBondContact O-CB 3.22Å; L68-D71 PolarHBondContact O-N 3.04Å; A69-D71 VanDerWaalsContact C-N 3.29Å; D71-K73 VanDerWaalsContact C-N 3.26Å; D71-K73 PolarHBondContact O-N 3.14Å; D71-E81 VanDerWaalsContact OD1-CA 3.25Å; D71-E81 WeakPolarHBondContact OD1-CA 3.37Å; D71-V82 HydrophobicContact CB-CB 4.4Å; D71-V82 PolarHBondContact OD1-N 3.04Å
72R80.2Confident82.1Confident177 Ų17771.4 Ų71.467%0.66835%0.353SS*.THydrogen-bonded Turntrans64.815.5-178.6-57.2174.8-178.8-165.9-4.7116.5V80R72-V80 VanDerWaalsContact CA-O 3.23Å; R72-V80 WeakPolarHBondContact CA-O 3.46Å; R72-V80 PolarHBondContact N-O 3.08Å
73K82Confident82.3Confident99 Ų9970.7 Ų70.743%0.4335%0.346SS..EExtended strand (participates in β ladder)trans-68.8146.9166.8-77.5-172.6-179.4-171.30110.4F27 K70 D71 Y79 V80F27-K73 HydrophobicContact CE2-CB 3.78Å; F27-K73 HydrophobicContact CZ-CB 3.48Å; F27-K73 VanDerWaalsContact CZ-CB 3.48Å; F27-K73 HydrophobicContact CZ-CD 4.45Å; K70-K73 HydrophobicContact CB-CD 4Å; K70-K73 HydrophobicContact CD-CD 4.46Å; K70-K73 HydrophobicContact CG-CD 3.97Å; K70-K73 WeakPolarHBondContact O-CB 3.43Å; K70-K73 PolarHBondContact O-N 3.17Å; D71-K73 VanDerWaalsContact C-N 3.26Å; D71-K73 PolarHBondContact O-N 3.14Å; K73-Y79 WeakPolarHBondContact O-CA 3.29Å; K73-V80 WeakPolarHBondContact O-CB 3.46Å; K73-V80 WeakPolarHBondContact O-CG2 3.48Å; K73-V80 PolarHBondContact O-N 2.98Å
74Y78.9Confident82.3Confident167 Ų16776.9 Ų76.966%0.65537%0.372SS*.EExtended strand (participates in β ladder)trans-87.3131.4-178-72.5-97.1000111.1R78 Y79Y74-R78 CarbonylContact C-O 3.56Å; Y74-R78 WeakPolarHBondContact CA-O 3.44Å; Y74-Y79 HydrophobicContact CE1-CD1 4.46Å
75M74.8Confident82.2Confident21 Ų2176.2 Ų76.210%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-111.2105.2162.5-85.1-160.2-103.900108.9L15 F27 H77 R78 V80L15-M75 HydrophobicContact CD2-CE 3.2Å; L15-M75 HydrophobicContact CD2-SD 4.23Å; F27-M75 HydrophobicContact CB-CE 3.83Å; F27-M75 HydrophobicContact CB-CG 4.48Å; F27-M75 HydrophobicContact CB-SD 3.81Å; F27-M75 HydrophobicContact CD1-CE 3.69Å; F27-M75 HydrophobicContact CD2-CE 3.78Å; F27-M75 HydrophobicContact CD2-CG 3.31Å; F27-M75 HydrophobicContact CD2-SD 3.75Å; F27-M75 HydrophobicContact CE1-CE 4.01Å; F27-M75 HydrophobicContact CE2-CE 4.1Å; F27-M75 HydrophobicContact CE2-CG 3.51Å; F27-M75 HydrophobicContact CE2-SD 4.36Å; F27-M75 HydrophobicContact CG-CE 3.5Å; F27-M75 HydrophobicContact CG-CG 4.03Å; F27-M75 HydrophobicContact CG-SD 3.83Å; F27-M75 HydrophobicContact CZ-CE 4.15Å; F27-M75 HydrophobicContact CZ-CG 4.35Å; M75-H77 PolarHBondContact O-N 3.28Å; M75-R78 PolarHBondContact N-O 2.78Å; M75-R78 PolarHBondContact O-N 3.25Å; M75-V80 HydrophobicContact CB-CG2 3.7Å; M75-V80 HydrophobicContact CE-CB 4.28Å; M75-V80 HydrophobicContact CE-CG1 3.93Å; M75-V80 HydrophobicContact CE-CG2 3.41Å; M75-V80 VanDerWaalsContact CE-CG2 3.41Å; M75-V80 HydrophobicContact CG-CG2 3.69Å; M75-V80 HydrophobicContact SD-CG2 4.31Å
76G73.1Confident82Confident77 Ų7776 Ų7679%0.79437%0.37SS*.THydrogen-bonded Turntrans62.2-118.2-172.800000111
77H75.8Confident81.4Confident160 Ų16075.6 Ų75.674%0.74137%0.365SS*.THydrogen-bonded Turntrans-974.1-179.369.8-83.9000113.9M75M75-H77 PolarHBondContact O-N 3.28Å
78R80.8Confident81Confident77 Ų7779.5 Ų79.529%0.29139%0.392SS..EExtended strand (participates in β ladder)trans-119.9142.6-178.7-62-170.267.6176.5-1.1110.6G14 L15 Y74 M75G14-R78 WeakPolarHBondContact O-CB 3.37Å; G14-R78 PolarHBondContact O-NE 3.03Å; L15-R78 PolarHBondContact O-NH1 3.4Å; L15-R78 VanDerWaalsContact O-NH1 3.09Å; Y74-R78 CarbonylContact C-O 3.56Å; Y74-R78 WeakPolarHBondContact CA-O 3.44Å; M75-R78 PolarHBondContact N-O 2.78Å; M75-R78 PolarHBondContact O-N 3.25Å
79Y84.6Confident80.4Confident118 Ų11881 Ų8146%0.46340%0.398SS..EExtended strand (participates in β ladder)trans-83.4147.2167.661.6-92.7000110K73 Y74 E81K73-Y79 WeakPolarHBondContact O-CA 3.29Å; Y74-Y79 HydrophobicContact CE1-CD1 4.46Å; Y79-E81 HydrophobicContact CD2-CG 3.97Å; Y79-E81 HydrophobicContact CE2-CG 3.82Å; Y79-E81 WeakPolarHBondContact CE2-OE1 3.22Å
80V87.3Confident79.8Confident0 Ų077.9 Ų77.90%037%0.369CS..EExtended strand (participates in β ladder)trans-104.8124.6-176.3-177.50000107.6I12 R13 L15 F27 R72 K73 M75 V82I12-V80 HydrophobicContact CG2-CG1 3.25Å; R13-V80 CarbonylContact O-C 3.46Å; R13-V80 WeakPolarHBondContact O-CA 3.4Å; L15-V80 HydrophobicContact CD2-CG1 4.28Å; L15-V80 HydrophobicContact CD2-CG2 4.46Å; F27-V80 HydrophobicContact CE1-CB 4.36Å; F27-V80 HydrophobicContact CE1-CG1 4.13Å; F27-V80 HydrophobicContact CE2-CG2 4.29Å; F27-V80 HydrophobicContact CZ-CB 3.94Å; F27-V80 HydrophobicContact CZ-CG1 4.21Å; F27-V80 HydrophobicContact CZ-CG2 3.97Å; R72-V80 VanDerWaalsContact CA-O 3.23Å; R72-V80 WeakPolarHBondContact CA-O 3.46Å; R72-V80 PolarHBondContact N-O 3.08Å; K73-V80 WeakPolarHBondContact O-CB 3.46Å; K73-V80 WeakPolarHBondContact O-CG2 3.48Å; K73-V80 PolarHBondContact O-N 2.98Å; M75-V80 HydrophobicContact CB-CG2 3.7Å; M75-V80 HydrophobicContact CE-CB 4.28Å; M75-V80 HydrophobicContact CE-CG1 3.93Å; M75-V80 HydrophobicContact CE-CG2 3.41Å; M75-V80 VanDerWaalsContact CE-CG2 3.41Å; M75-V80 HydrophobicContact CG-CG2 3.69Å; M75-V80 HydrophobicContact SD-CG2 4.31Å; V80-V82 HydrophobicContact CG1-CG2 4.39Å
81E86.4Confident79.4Confident48 Ų4882.2 Ų82.222%0.22439%0.39CS..EExtended strand (participates in β ladder)trans-98.7131.8175.8-63.4-179.9159.100109.6I12 R13 D71 Y79 F83I12-E81 CarbonylContact C-O 3.53Å; I12-E81 VanDerWaalsContact CA-O 3.3Å; I12-E81 WeakPolarHBondContact CA-O 3.1Å; R13-E81 HydrophobicContact CB-CB 4.38Å; R13-E81 PolarHBondContact N-O 3.15Å; R13-E81 PolarHBondContact O-N 2.91Å; D71-E81 VanDerWaalsContact OD1-CA 3.25Å; D71-E81 WeakPolarHBondContact OD1-CA 3.37Å; Y79-E81 HydrophobicContact CD2-CG 3.97Å; Y79-E81 HydrophobicContact CE2-CG 3.82Å; Y79-E81 WeakPolarHBondContact CE2-OE1 3.22Å; E81-F83 HydrophobicContact CB-CD2 4.32Å; E81-F83 HydrophobicContact CB-CE2 3.55Å; E81-F83 HydrophobicContact CB-CZ 4.06Å
82V88.5Confident78.7Confident8 Ų885 Ų855%0.04840%0.395CS..EExtended strand (participates in β ladder)trans-116.2117.9-176.6-171.10000109.6V10 I12 F28 A67 D71 V80V10-V82 HydrophobicContact CG1-CG1 3.11Å; I12-V82 HydrophobicContact CG1-CG1 4.26Å; I12-V82 HydrophobicContact CG1-CG2 4.29Å; F28-V82 HydrophobicContact CZ-CG2 4.15Å; A67-V82 WeakPolarHBondContact O-CG1 3.43Å; D71-V82 HydrophobicContact CB-CB 4.4Å; D71-V82 PolarHBondContact OD1-N 3.04Å; V80-V82 HydrophobicContact CG1-CG2 4.39Å
83F85.9Confident78.2Confident73 Ų7378 Ų7832%0.3237%0.373SS..EExtended strand (participates in β ladder)trans-114.5141.1-178.2-62.2-85.8000111.3R11 R13 E81 S85R11-F83 HydrophobicContact CB-CB 4.32Å; R11-F83 PolarHBondContact N-O 2.67Å; R11-F83 WeakPolarHBondContact O-CA 3.47Å; R11-F83 WeakPolarHBondContact O-CB 3.38Å; R11-F83 PolarHBondContact O-N 2.92Å; R13-F83 HydrophobicContact CB-CE2 4.12Å; E81-F83 HydrophobicContact CB-CD2 4.32Å; E81-F83 HydrophobicContact CB-CE2 3.55Å; E81-F83 HydrophobicContact CB-CZ 4.06Å; F83-S85 PolarHBondContact O-N 3.28Å
84K84.4Confident77.5Confident147 Ų14775.8 Ų75.864%0.63937%0.365SS*.EExtended strand (participates in β ladder)trans-64.9124.2163.9159.7150.4-155177.70109.4Y64 L68Y64-K84 HydrophobicContact CE1-CD 4.24Å; Y64-K84 WeakPolarHBondContact OH-CA 3.43Å; Y64-K84 WeakPolarHBondContact OH-CB 3.5Å; Y64-K84 WeakPolarHBondContact OH-CD 3.3Å; Y64-K84 WeakPolarHBondContact OH-CE 3.44Å; Y64-K84 WeakPolarHBondContact OH-CG 3.48Å; L68-K84 HydrophobicContact CD2-CB 4.3Å
85S80Confident76.8Confident8 Ų876.3 Ų76.36%0.05637%0.366CS..  trans-130.5168.1172-93.10000111.4V9 R11 F83 E89V9-S85 CarbonylContact O-C 3.58Å; V9-S85 PolarHBondContact O-N 3.46Å; R11-S85 VanDerWaalsContact CB-OG 3.29Å; R11-S85 WeakPolarHBondContact CB-OG 3.44Å; F83-S85 PolarHBondContact O-N 3.28Å; S85-E89 VanDerWaalsContact CA-OE2 3.32Å; S85-E89 WeakPolarHBondContact CA-OE2 3.32Å; S85-E89 VanDerWaalsContact CB-OE2 3.22Å; S85-E89 WeakPolarHBondContact CB-OE2 3.36Å; S85-E89 PolarHBondContact OG-OE2 3.23Å
86K79.4Confident76Confident119 Ų11982.7 Ų82.752%0.51739%0.389SS..  trans-105156.6175-63.8-174.1179.1-172.70111.1S88 E89 M90K86-S88 VanDerWaalsContact C-N 3.25Å; K86-S88 PolarHBondContact O-N 3.33Å; K86-E89 HydrophobicContact CB-CG 4.36Å; K86-E89 PolarHBondContact N-OE2 3.47Å; K86-E89 WeakPolarHBondContact O-CB 3.41Å; K86-E89 PolarHBondContact O-N 2.78Å; K86-M90 PolarHBondContact O-N 3.22Å; K86-M90 VanDerWaalsContact O-N 3.14Å
87H72.6Confident75.2Confident70 Ų7080.1 Ų80.132%0.32436%0.359SS..Hα-helixtrans-55.1-40.8174.4-170.187.8000112.3V9 E89 M90 E91V9-H87 HydrophobicContact CG2-CB 4.21Å; H87-E89 VanDerWaalsContact C-N 3.27Å; H87-E89 PolarHBondContact O-N 3.19Å; H87-M90 WeakPolarHBondContact O-CB 3.18Å; H87-M90 PolarHBondContact O-N 3.16Å; H87-E91 PolarHBondContact O-N 2.97Å
88S74.4Confident74Confident82 Ų8273.6 Ų73.657%0.57334%0.335SS*.Hα-helixtrans-62.8-30.4176-50.60000113.8K86 W92K86-S88 VanDerWaalsContact C-N 3.25Å; K86-S88 PolarHBondContact O-N 3.33Å; S88-W92 WeakPolarHBondContact O-CB 3.43Å; S88-W92 PolarHBondContact O-N 3.06Å
89E71.7Confident72.5Confident94 Ų9474.7 Ų74.744%0.43935%0.352SS..Hα-helixtrans-72.6-42.5175.1-65.1-17815200110.8S85 K86 H87 W92 V93S85-E89 VanDerWaalsContact CA-OE2 3.32Å; S85-E89 WeakPolarHBondContact CA-OE2 3.32Å; S85-E89 VanDerWaalsContact CB-OE2 3.22Å; S85-E89 WeakPolarHBondContact CB-OE2 3.36Å; S85-E89 PolarHBondContact OG-OE2 3.23Å; K86-E89 HydrophobicContact CB-CG 4.36Å; K86-E89 PolarHBondContact N-OE2 3.47Å; K86-E89 WeakPolarHBondContact O-CB 3.41Å; K86-E89 PolarHBondContact O-N 2.78Å; H87-E89 VanDerWaalsContact C-N 3.27Å; H87-E89 PolarHBondContact O-N 3.19Å; E89-W92 PolarHBondContact O-N 3.4Å; E89-V93 WeakPolarHBondContact O-CB 3.09Å; E89-V93 VanDerWaalsContact O-CG2 3.24Å; E89-V93 WeakPolarHBondContact O-CG2 3.48Å; E89-V93 PolarHBondContact O-N 3.08Å
90M71.6Confident70.8Confident14 Ų1471 Ų717%0.06934%0.343CS..Hα-helixtrans-57-50.1173.9-179.5-165.1-165.500110.8V9 C41 F55 K86 H87 W92 V93 L94V9-M90 HydrophobicContact CG1-CB 3.99Å; V9-M90 HydrophobicContact CG1-CG 4.29Å; V9-M90 HydrophobicContact CG1-SD 3.98Å; V9-M90 HydrophobicContact CG2-SD 4.02Å; C41-M90 HydrophobicContact CB-CE 4Å; F55-M90 HydrophobicContact CB-CB 4.5Å; F55-M90 HydrophobicContact CB-CE 4.2Å; F55-M90 HydrophobicContact CB-CG 3.83Å; F55-M90 HydrophobicContact CD1-CB 3.93Å; F55-M90 HydrophobicContact CD1-CG 4.17Å; F55-M90 HydrophobicContact CE1-CB 4.44Å; F55-M90 HydrophobicContact CG-CB 4.27Å; F55-M90 HydrophobicContact CG-CG 4.02Å; K86-M90 PolarHBondContact O-N 3.22Å; K86-M90 VanDerWaalsContact O-N 3.14Å; H87-M90 WeakPolarHBondContact O-CB 3.18Å; H87-M90 PolarHBondContact O-N 3.16Å; M90-W92 PolarHBondContact O-N 3.36Å; M90-V93 PolarHBondContact O-N 3.08Å; M90-L94 HydrophobicContact CE-CD1 4.48Å; M90-L94 HydrophobicContact CG-CD1 3.84Å; M90-L94 VanDerWaalsContact O-CB 3.25Å; M90-L94 WeakPolarHBondContact O-CB 3.46Å; M90-L94 WeakPolarHBondContact O-CD1 3.39Å; M90-L94 WeakPolarHBondContact O-CG 3.43Å; M90-L94 PolarHBondContact O-N 2.95Å
91E70.5Confident69.1Low105 Ų10572.6 Ų72.649%0.49135%0.353SS..Hα-helixtrans-63-43.3179.2-168.1-169.1172.200112.1H87 L94 R95H87-E91 PolarHBondContact O-N 2.97Å; E91-L94 WeakPolarHBondContact O-CB 3.34Å; E91-L94 PolarHBondContact O-N 3.01Å; E91-R95 WeakPolarHBondContact O-CB 3.27Å; E91-R95 PolarHBondContact O-N 3.05Å
92W70.8Confident67.3Low120 Ų12073.4 Ų73.446%0.45536%0.359SS..Hα-helixtrans-66.9-38.1179.1-174.299.6000112.4S88 E89 M90 R96S88-W92 WeakPolarHBondContact O-CB 3.43Å; S88-W92 PolarHBondContact O-N 3.06Å; E89-W92 PolarHBondContact O-N 3.4Å; M90-W92 PolarHBondContact O-N 3.36Å; W92-R96 VanDerWaalsContact CZ2-CZ 3.41Å; W92-R96 PolarHBondContact O-N 3.39Å
93V69.4Low65.4Low32 Ų3278.2 Ų78.219%0.19439%0.393CS..Hα-helixtrans-70.7-43.7175.5175.20000110.6T43 F55 E89 M90 R95 R96 S97T43-V93 HydrophobicContact CG2-CG1 3.65Å; F55-V93 HydrophobicContact CE2-CB 3.96Å; F55-V93 HydrophobicContact CE2-CG1 3.66Å; F55-V93 HydrophobicContact CE2-CG2 4.36Å; F55-V93 HydrophobicContact CZ-CB 3.98Å; F55-V93 HydrophobicContact CZ-CG1 4.08Å; F55-V93 HydrophobicContact CZ-CG2 3.93Å; E89-V93 WeakPolarHBondContact O-CB 3.09Å; E89-V93 VanDerWaalsContact O-CG2 3.24Å; E89-V93 WeakPolarHBondContact O-CG2 3.48Å; E89-V93 PolarHBondContact O-N 3.08Å; M90-V93 PolarHBondContact O-N 3.08Å; V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 2.91Å; V93-R96 CarbonylContact O-C 3.59Å; V93-R96 PolarHBondContact O-N 2.79Å; V93-S97 WeakPolarHBondContact O-CB 3.47Å; V93-S97 PolarHBondContact O-N 3.04Å
94L66.1Low63.3Low52 Ų5276.5 Ų76.527%0.27239%0.389SS..Hα-helixtrans-53.1-46.9171.7-90.5159.1000112C41 M90 E91 R96 S97 G98C41-L94 WeakPolarHBondContact SG-CD2 3.49Å; M90-L94 HydrophobicContact CE-CD1 4.48Å; M90-L94 HydrophobicContact CG-CD1 3.84Å; M90-L94 VanDerWaalsContact O-CB 3.25Å; M90-L94 WeakPolarHBondContact O-CB 3.46Å; M90-L94 WeakPolarHBondContact O-CD1 3.39Å; M90-L94 WeakPolarHBondContact O-CG 3.43Å; M90-L94 PolarHBondContact O-N 2.95Å; E91-L94 WeakPolarHBondContact O-CB 3.34Å; E91-L94 PolarHBondContact O-N 3.01Å; L94-R96 PolarHBondContact O-N 3.25Å; L94-S97 PolarHBondContact O-N 3.04Å; L94-G98 PolarHBondContact O-N 3.03Å
95R64.6Low61.7Low178 Ų17873.1 Ų73.167%0.67238%0.378SS*.Hα-helixtrans-63.5-25.3178.9-165170.271.9-135.36.2112.8E91 V93E91-R95 WeakPolarHBondContact O-CB 3.27Å; E91-R95 PolarHBondContact O-N 3.05Å; V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 2.91Å
96R59.2Low60.3Low154 Ų15474 Ų7458%0.58139%0.389SS*.Hα-helixtrans-97.2-31.8-178.2-162.3-165.5-88-165.7-17.3113.4W92 V93 L94 G98W92-R96 VanDerWaalsContact CZ2-CZ 3.41Å; W92-R96 PolarHBondContact O-N 3.39Å; V93-R96 CarbonylContact O-C 3.59Å; V93-R96 PolarHBondContact O-N 2.79Å; L94-R96 PolarHBondContact O-N 3.25Å; R96-G98 PolarHBondContact O-N 2.84Å
97S55.1Low59.4Low23 Ų2369.8 Ų69.816%0.16137%0.374CS..Hα-helixtrans-74.2-5.8175.9-92.70000113.1Y44 V93 L94Y44-S97 WeakPolarHBondContact O-CB 3.45Å; Y44-S97 PolarHBondContact O-OG 3.45Å; V93-S97 WeakPolarHBondContact O-CB 3.47Å; V93-S97 PolarHBondContact O-N 3.04Å; L94-S97 PolarHBondContact O-N 3.04Å
98G50.7Low59.5Low24 Ų2466.7 Ų66.725%0.24736%0.36CS..  trans77.5159.9-173.900000110.6L94 R96L94-G98 PolarHBondContact O-N 3.03Å; R96-G98 PolarHBondContact O-N 2.84Å
99P50Low59.9Low100 Ų10063 Ų6365%0.64933%0.333SS*.SBendtrans-57139.4-178.623-31.5000109.8
100P49.1Very low60.6Low41 Ų4159.5 Ų59.527%0.26632%0.317SS..  trans-54.6139.9176.922.6-32.2000108.7D102P100-D102 PolarHBondContact O-N 3.19Å
101P49.8Very low61.4Low33 Ų3358.9 Ų58.921%0.21431%0.314CS..G310 helixtrans-58.1-25.2-179.727.2-35.1000110.7Y44 S103 C104 N105Y44-P101 HydrophobicContact CD2-CG 4.18Å; Y44-P101 HydrophobicContact CE1-CG 4.49Å; Y44-P101 HydrophobicContact CE2-CG 3.66Å; P101-S103 PolarHBondContact O-N 3.45Å; P101-C104 PolarHBondContact O-N 3.01Å; P101-N105 WeakPolarHBondContact CB-ND2 3.36Å; P101-N105 VanDerWaalsContact O-CB 3.32Å; P101-N105 WeakPolarHBondContact O-CB 3.32Å; P101-N105 PolarHBondContact O-N 3.02Å; P101-N105 PolarHBondContact O-ND2 3.43Å; P101-N105 PolarHBondContact O-OD1 3.1Å
102D50.4Low62.2Low64 Ų6459.8 Ų59.834%0.34231%0.312SS..G310 helixtrans-77.3-17.4-169.3-60.5-20.2000116.4R21 P100 C104 N105R21-D102 WeakPolarHBondContact CD-OD2 3.44Å; R21-D102 IonicContact NH1-OD2 3.41Å; R21-D102 PolarHBondContact NH1-OD2 2.84Å; R21-D102 VanDerWaalsContact NH1-OD2 3.09Å; P100-D102 PolarHBondContact O-N 3.19Å; D102-C104 PolarHBondContact O-N 2.93Å; D102-N105 PolarHBondContact OD1-ND2 3.39Å
103S46.8Very low62.9Low109 Ų10954.5 Ų54.576%0.76230%0.295SS*.G310 helixtrans-79.40.1178-65.60000113.6P101P101-S103 PolarHBondContact O-N 3.45Å
104C43.4Very low63.7Low37 Ų3753.1 Ų53.125%0.2529%0.287CS..THydrogen-bonded Turntrans-146.45.5175.958.70000115.3P101 D102 G106 R184P101-C104 PolarHBondContact O-N 3.01Å; D102-C104 PolarHBondContact O-N 2.93Å; C104-G106 PolarHBondContact O-N 2.85Å; C104-R184 HydrophobicContact CB-CB 4.42Å; C104-R184 VanDerWaalsContact SG-CB 3.52Å
105N49.2Very low64.6Low77 Ų7751.5 Ų51.541%0.41228%0.28SS..THydrogen-bonded Turntrans-67-1.9-172.7-95-14000116.7P101 D102P101-N105 WeakPolarHBondContact CB-ND2 3.36Å; P101-N105 VanDerWaalsContact O-CB 3.32Å; P101-N105 WeakPolarHBondContact O-CB 3.32Å; P101-N105 PolarHBondContact O-N 3.02Å; P101-N105 PolarHBondContact O-ND2 3.43Å; P101-N105 PolarHBondContact O-OD1 3.1Å; D102-N105 PolarHBondContact OD1-ND2 3.39Å
106G51.5Low65.3Low27 Ų2749.7 Ų49.728%0.27828%0.277SS..THydrogen-bonded Turntrans-122.7-13.4-174.800000116.3C104 K158 A161C104-G106 PolarHBondContact O-N 2.85Å; G106-K158 WeakPolarHBondContact O-CG 3.41Å; G106-A161 WeakPolarHBondContact O-CB 3.19Å
107C61Low66.2Low29 Ų2945.6 Ų45.620%0.19628%0.282CS..SBendtrans-106.88.3-166.3-54.30000113.6F155 S157 K158C107-F155 VanDerWaalsContact CB-O 3.29Å; C107-F155 WeakPolarHBondContact CB-O 3.27Å; C107-F155 WeakPolarHBondContact O-CA 3.24Å; C107-F155 WeakPolarHBondContact O-CB 3.28Å; C107-F155 PolarHBondContact O-N 3.42Å; C107-S157 VanDerWaalsContact SG-C 3.52Å; C107-K158 PolarHBondContact SG-N 2.74Å
108M73.6Confident67.5Low6 Ų644.9 Ų44.93%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-123.8136-170.5-157.8179.692.700112.1F152 V153 Q154 S182 S183 R184 I187M108-F152 HydrophobicContact CE-CD1 4.09Å; M108-V153 WeakPolarHBondContact CA-O 3.1Å; M108-V153 WeakPolarHBondContact CG-O 3.17Å; M108-Q154 HydrophobicContact CG-CB 4.37Å; M108-S182 CarbonylContact C-O 3.47Å; M108-S182 WeakPolarHBondContact CB-O 3.44Å; M108-S182 PolarHBondContact O-N 2.9Å; M108-S183 WeakPolarHBondContact CE-O 3.09Å; M108-R184 HydrophobicContact SD-CB 4.2Å; M108-I187 HydrophobicContact CE-CB 4.49Å; M108-I187 HydrophobicContact CE-CD1 3.27Å; M108-I187 HydrophobicContact CE-CG1 3.48Å; M108-I187 VanDerWaalsContact CE-CG1 3.48Å; M108-I187 HydrophobicContact CG-CD1 4.39Å; M108-I187 HydrophobicContact SD-CD1 3.19Å; M108-I187 WeakPolarHBondContact SD-CD1 3.41Å; M108-I187 HydrophobicContact SD-CG1 4.1Å
109L84.4Confident69.1Low3 Ų345.8 Ų45.82%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-124140.5-179.5-58.7179.5000109.9F152 V153 F155 A161 A164 I179 F180 K181L109-F152 CarbonylContact O-C 3.56Å; L109-F152 WeakPolarHBondContact O-CA 3.44Å; L109-V153 PolarHBondContact N-O 3.48Å; L109-V153 PolarHBondContact O-N 2.81Å; L109-F155 HydrophobicContact CB-CE2 4.07Å; L109-F155 HydrophobicContact CD1-CD2 4.13Å; L109-F155 HydrophobicContact CD1-CE2 3.41Å; L109-F155 VanDerWaalsContact CD1-CE2 3.41Å; L109-F155 HydrophobicContact CD1-CZ 4.07Å; L109-F155 HydrophobicContact CG-CD2 4.14Å; L109-F155 HydrophobicContact CG-CE2 3.71Å; L109-A161 HydrophobicContact CD1-CB 4.43Å; L109-A161 WeakPolarHBondContact CD1-O 3.36Å; L109-A161 HydrophobicContact CD2-CB 4.31Å; L109-A161 HydrophobicContact CG-CB 4.27Å; L109-A164 HydrophobicContact CD1-CB 3.55Å; L109-I179 HydrophobicContact CB-CG2 3.97Å; L109-I179 HydrophobicContact CD1-CG2 3.7Å; L109-I179 HydrophobicContact CD2-CG2 4.36Å; L109-I179 HydrophobicContact CG-CG2 4.23Å; L109-F180 CarbonylContact C-O 3.55Å; L109-F180 WeakPolarHBondContact CA-O 3.09Å; L109-K181 HydrophobicContact CD2-CG 4.28Å
110K86.3Confident70.7Confident22 Ų2244.9 Ų44.910%0.09627%0.266CS..EExtended strand (participates in β ladder)trans-95.6129.4168.1174.6172.9177.8161.20108.8E150 A151 F152 I179 F180 S182 E186K110-E150 IonicContact NZ-OE1 3.15Å; K110-E150 IonicContact NZ-OE2 3.09Å; K110-A151 CarbonylContact C-O 3.57Å; K110-A151 WeakPolarHBondContact CA-O 3.29Å; K110-F152 HydrophobicContact CB-CD1 3.83Å; K110-F152 HydrophobicContact CB-CE1 3.87Å; K110-F152 HydrophobicContact CD-CD1 4.48Å; K110-F152 HydrophobicContact CD-CE1 3.71Å; K110-F152 HydrophobicContact CD-CZ 4.11Å; K110-F152 HydrophobicContact CG-CD1 4.12Å; K110-F152 HydrophobicContact CG-CE1 3.83Å; K110-F152 HydrophobicContact CG-CZ 4.38Å; K110-I179 CarbonylContact O-C 3.48Å; K110-I179 WeakPolarHBondContact O-CA 3.36Å; K110-F180 HydrophobicContact CB-CB 4.36Å; K110-F180 PolarHBondContact N-O 3.19Å; K110-F180 PolarHBondContact O-N 2.93Å; K110-S182 WeakPolarHBondContact CB-OG 3.39Å; K110-E186 VanDerWaalsContact CD-OE1 3.22Å; K110-E186 WeakPolarHBondContact CD-OE1 3.39Å; K110-E186 IonicContact NZ-OE1 3.08Å; K110-E186 PolarHBondContact NZ-OE1 3.35Å
111L88.5Confident72.4Confident0 Ų048.8 Ų48.80%028%0.281CS..EExtended strand (participates in β ladder)trans-101.7134.8172.2-48.3179.8000108L114 I123 F127 E150 A151 V153 I177 E178 I179L111-L114 HydrophobicContact CB-CD1 4.08Å; L111-L114 HydrophobicContact CB-CG 4.34Å; L111-L114 HydrophobicContact CD1-CD1 4.34Å; L111-L114 HydrophobicContact CD1-CD2 4.44Å; L111-I123 HydrophobicContact CD1-CG2 3.77Å; L111-F127 HydrophobicContact CD1-CE2 3.71Å; L111-F127 HydrophobicContact CD1-CZ 4.36Å; L111-F127 HydrophobicContact CD2-CE2 3.79Å; L111-F127 HydrophobicContact CD2-CZ 3.58Å; L111-F127 HydrophobicContact CG-CE2 4.35Å; L111-E150 CarbonylContact O-C 3.54Å; L111-E150 VanDerWaalsContact O-CA 3.25Å; L111-E150 WeakPolarHBondContact O-CA 3.33Å; L111-A151 HydrophobicContact CB-CB 4.38Å; L111-A151 HydrophobicContact CD1-CB 4.32Å; L111-A151 PolarHBondContact N-O 3.21Å; L111-A151 PolarHBondContact O-N 3.33Å; L111-V153 HydrophobicContact CD1-CG2 3.75Å; L111-V153 HydrophobicContact CG-CG2 4.21Å; L111-I177 HydrophobicContact CB-CG2 4.06Å; L111-I177 HydrophobicContact CD2-CG2 4.38Å; L111-E178 CarbonylContact C-O 3.51Å; L111-E178 WeakPolarHBondContact CA-O 3.49Å; L111-I179 HydrophobicContact CD2-CB 4.39Å; L111-I179 HydrophobicContact CD2-CD1 4.46Å; L111-I179 HydrophobicContact CD2-CG1 3.84Å; L111-I179 HydrophobicContact CD2-CG2 4.15Å
112R87.3Confident74.1Confident124 Ų12451 Ų5147%0.46829%0.288SS..EExtended strand (participates in β ladder)trans-128.3146.8174-178.3-178.9173.3107.2-8.9109.5E150 E178 F180R112-E150 IonicContact NH1-OE1 3.06Å; R112-E150 PolarHBondContact NH1-OE1 3.32Å; R112-E150 VanDerWaalsContact NH1-OE1 3.14Å; R112-E178 HydrophobicContact CB-CB 4.31Å; R112-E178 PolarHBondContact N-O 2.92Å; R112-E178 IonicContact NE-OE2 3.88Å; R112-E178 PolarHBondContact O-N 3.14Å; R112-F180 HydrophobicContact CB-CD2 4.43Å; R112-F180 HydrophobicContact CB-CE2 4.03Å
113G84.3Confident75.8Confident9 Ų948 Ų489%0.09327%0.272CS..  trans8917.9177.500000113.9G149 R175 I177G113-G149 PolarHBondContact N-O 2.75Å; G113-R175 WeakPolarHBondContact O-CB 3.31Å; G113-R175 WeakPolarHBondContact O-CD 3.15Å; G113-R175 PolarHBondContact O-NE 2.95Å; G113-I177 VanDerWaalsContact O-CD1 3.29Å; G113-I177 WeakPolarHBondContact O-CD1 3.32Å
114L86.3Confident77.6Confident3 Ų346 Ų462%0.01626%0.255CS..  trans-62.9140174.4-66.8166.8000110.5L111 C118 I123 G149 A151 I172 I177L111-L114 HydrophobicContact CB-CD1 4.08Å; L111-L114 HydrophobicContact CB-CG 4.34Å; L111-L114 HydrophobicContact CD1-CD1 4.34Å; L111-L114 HydrophobicContact CD1-CD2 4.44Å; L114-C118 HydrophobicContact CB-CB 4.21Å; L114-I123 HydrophobicContact CD1-CD1 3.98Å; L114-I123 HydrophobicContact CD2-CG1 4.36Å; L114-G149 PolarHBondContact N-O 3.27Å; L114-G149 WeakPolarHBondContact O-CA 3.41Å; L114-A151 HydrophobicContact CD1-CB 3.29Å; L114-I172 HydrophobicContact CD2-CD1 3.78Å; L114-I177 HydrophobicContact CD2-CD1 3.74Å; L114-I177 HydrophobicContact CD2-CG1 4.22Å; L114-I177 HydrophobicContact CD2-CG2 4.31Å; L114-I177 HydrophobicContact CG-CD1 4.27Å
115P84.6Confident79.5Confident19 Ų1951.2 Ų51.212%0.12328%0.276CS..  trans-61.6149171.520.9-24.7000110.7G117 C118 I172P115-G117 PolarHBondContact O-N 3.49Å; P115-C118 HydrophobicContact CG-CB 3.95Å; P115-C118 WeakPolarHBondContact O-CB 3.36Å; P115-C118 PolarHBondContact O-N 3.03Å; P115-I172 HydrophobicContact CG-CG2 4.19Å
116F79.8Confident81.2Confident139 Ų13948.5 Ų48.561%0.6126%0.26SS*.THydrogen-bonded Turntrans-64.2-25.1-173.8-62.2-60.5000113.9C118 S147F116-C118 VanDerWaalsContact C-N 3.33Å; F116-S147 VanDerWaalsContact CD1-O 3.27Å; F116-S147 WeakPolarHBondContact CD1-O 3.42Å; F116-S147 WeakPolarHBondContact O-CB 3.5Å; F116-S147 PolarHBondContact O-OG 3.23Å
117G79.1Confident82.7Confident68 Ų6847.2 Ų47.270%0.70125%0.247SC*.THydrogen-bonded Turntrans-87.46.8173.100000114.7P115 S119P115-G117 PolarHBondContact O-N 3.49Å; G117-S119 PolarHBondContact O-N 2.89Å
118C81.9Confident83.5Confident9 Ų949.5 Ų49.56%0.06126%0.264CS..  trans-69.4120.4-176-165.20000111L114 P115 F116 E122L114-C118 HydrophobicContact CB-CB 4.21Å; P115-C118 HydrophobicContact CG-CB 3.95Å; P115-C118 WeakPolarHBondContact O-CB 3.36Å; P115-C118 PolarHBondContact O-N 3.03Å; F116-C118 VanDerWaalsContact C-N 3.33Å; C118-E122 VanDerWaalsContact CA-OE2 3.3Å; C118-E122 WeakPolarHBondContact CA-OE2 3.4Å; C118-E122 PolarHBondContact SG-OE2 2.84Å
119S83.4Confident83.5Confident43 Ų4353.3 Ų53.330%0.30130%0.304SS..  trans-93.5165.8178.181.70000111.5G117 E121 E122 I123G117-S119 PolarHBondContact O-N 2.89Å; S119-E121 WeakPolarHBondContact CB-OE2 3.45Å; S119-E121 PolarHBondContact O-N 3.49Å; S119-E121 PolarHBondContact OG-N 2.8Å; S119-E121 PolarHBondContact OG-OE2 3.47Å; S119-E122 PolarHBondContact O-N 3.2Å; S119-I123 PolarHBondContact O-N 3.45Å
120K83.8Confident83.3Confident81 Ų8155.3 Ų55.335%0.35231%0.313SS..Hα-helixtrans-55.6-36.5175172.5-176.9170.2-172.10111.2I123 V124 I137 L139K120-I123 PolarHBondContact O-N 3.37Å; K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 2.87Å; K120-I137 HydrophobicContact CG-CB 4.23Å; K120-I137 HydrophobicContact CG-CD1 3.93Å; K120-I137 HydrophobicContact CG-CG2 4.27Å; K120-L139 HydrophobicContact CB-CD1 4.27Å
121E85.3Confident82.8Confident123 Ų12363.9 Ų63.958%0.57534%0.344SS*.Hα-helixtrans-65.1-41.3-178.5-59.869-142.800111.4S119 I123 V124 Q125S119-E121 WeakPolarHBondContact CB-OE2 3.45Å; S119-E121 PolarHBondContact O-N 3.49Å; S119-E121 PolarHBondContact OG-N 2.8Å; S119-E121 PolarHBondContact OG-OE2 3.47Å; E121-I123 VanDerWaalsContact C-N 3.32Å; E121-I123 PolarHBondContact O-N 3.49Å; E121-V124 WeakPolarHBondContact O-CB 3.39Å; E121-V124 PolarHBondContact O-N 3.39Å; E121-Q125 PolarHBondContact O-N 3.37Å
122E85.9Confident82.3Confident80 Ų8065.4 Ų65.437%0.37435%0.352SS..Hα-helixtrans-63.8-38.5176-68.3-176.1175.900112C118 S119 V124 Q125 F126C118-E122 VanDerWaalsContact CA-OE2 3.3Å; C118-E122 WeakPolarHBondContact CA-OE2 3.4Å; C118-E122 PolarHBondContact SG-OE2 2.84Å; S119-E122 PolarHBondContact O-N 3.2Å; E122-V124 VanDerWaalsContact C-N 3.34Å; E122-Q125 PolarHBondContact O-N 3.25Å; E122-F126 WeakPolarHBondContact O-CB 3.25Å; E122-F126 PolarHBondContact O-N 3.45Å
123I84.7Confident81.8Confident0 Ų061.8 Ų61.80%034%0.344CS..Hα-helixtrans-64.9-40.9175.3-61.5170.3000110.4L111 L114 S119 K120 E121 Q125 F126 F127 I137 L139 A151 V153L111-I123 HydrophobicContact CD1-CG2 3.77Å; L114-I123 HydrophobicContact CD1-CD1 3.98Å; L114-I123 HydrophobicContact CD2-CG1 4.36Å; S119-I123 PolarHBondContact O-N 3.45Å; K120-I123 PolarHBondContact O-N 3.37Å; E121-I123 VanDerWaalsContact C-N 3.32Å; E121-I123 PolarHBondContact O-N 3.49Å; I123-Q125 VanDerWaalsContact C-N 3.31Å; I123-Q125 PolarHBondContact O-N 2.83Å; I123-F126 PolarHBondContact O-N 2.91Å; I123-F127 HydrophobicContact CG2-CD2 3.98Å; I123-F127 HydrophobicContact CG2-CE2 4.13Å; I123-F127 VanDerWaalsContact O-CD2 3.29Å; I123-F127 WeakPolarHBondContact O-CD2 3.24Å; I123-F127 PolarHBondContact O-N 3.29Å; I123-F127 VanDerWaalsContact O-N 3.1Å; I123-I137 HydrophobicContact CD1-CG2 4.13Å; I123-I137 HydrophobicContact CG2-CD1 4.19Å; I123-I137 HydrophobicContact CG2-CG2 4.38Å; I123-L139 HydrophobicContact CD1-CD1 4.17Å; I123-L139 HydrophobicContact CD1-CD2 3.84Å; I123-L139 HydrophobicContact CD1-CG 4.08Å; I123-A151 HydrophobicContact CD1-CB 3.83Å; I123-V153 HydrophobicContact CG2-CG2 3.69Å
124V85.2Confident80.7Confident68 Ų6866.7 Ų66.741%0.41237%0.374SS..Hα-helixtrans-62.6-40.5174.21740000110.9K120 E121 E122 F127 S128 I137K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 2.87Å; E121-V124 WeakPolarHBondContact O-CB 3.39Å; E121-V124 PolarHBondContact O-N 3.39Å; E122-V124 VanDerWaalsContact C-N 3.34Å; V124-F127 CarbonylContact O-C 3.54Å; V124-F127 VanDerWaalsContact O-C 3.24Å; V124-F127 PolarHBondContact O-N 3.01Å; V124-S128 PolarHBondContact O-N 2.87Å; V124-I137 HydrophobicContact CG2-CD1 3.39Å
125Q84.2Confident79.6Confident146 Ų14672.9 Ų72.968%0.68241%0.407SS*.Hα-helixtrans-68.9-38.8178.6-171.4177.2-27.100112.4E121 E122 I123 F127 S128E121-Q125 PolarHBondContact O-N 3.37Å; E122-Q125 PolarHBondContact O-N 3.25Å; I123-Q125 VanDerWaalsContact C-N 3.31Å; I123-Q125 PolarHBondContact O-N 2.83Å; Q125-F127 VanDerWaalsContact C-N 3.29Å; Q125-F127 PolarHBondContact O-N 3.17Å; Q125-S128 WeakPolarHBondContact O-CB 3.49Å; Q125-S128 PolarHBondContact O-N 3.39Å; Q125-S128 PolarHBondContact O-OG 2.94Å
126F83.7Confident79Confident19 Ų1972 Ų728%0.08340%0.401CS..Hα-helixtrans-60.8-40.1174178.2-100.3000111.9E122 I123 S128 K167 E170 I172 I177 I179E122-F126 WeakPolarHBondContact O-CB 3.25Å; E122-F126 PolarHBondContact O-N 3.45Å; I123-F126 PolarHBondContact O-N 2.91Å; F126-S128 VanDerWaalsContact C-N 3.28Å; F126-S128 PolarHBondContact O-N 3.05Å; F126-K167 HydrophobicContact CZ-CB 4.43Å; F126-K167 PolarHBondContact O-NZ 3.11Å; F126-E170 HydrophobicContact CE2-CB 3.46Å; F126-E170 VanDerWaalsContact CE2-CB 3.46Å; F126-E170 HydrophobicContact CZ-CB 3.68Å; F126-I172 HydrophobicContact CB-CD1 3.68Å; F126-I172 HydrophobicContact CB-CG1 4.12Å; F126-I172 HydrophobicContact CD1-CD1 4.08Å; F126-I172 HydrophobicContact CD2-CD1 3.59Å; F126-I172 HydrophobicContact CD2-CG1 3.28Å; F126-I172 HydrophobicContact CE2-CD1 4.16Å; F126-I172 HydrophobicContact CE2-CG1 3.73Å; F126-I172 HydrophobicContact CG-CD1 3.51Å; F126-I172 HydrophobicContact CG-CG1 3.79Å; F126-I177 HydrophobicContact CZ-CB 4.38Å; F126-I179 HydrophobicContact CE1-CD1 4.02Å; F126-I179 HydrophobicContact CZ-CD1 4.4Å
127F83.1Confident79.1Confident1 Ų166.2 Ų66.20%0.00438%0.377CS..THydrogen-bonded Turntrans-91.323.8172-67.8-64.5000113.7L111 I123 V124 Q125 G129 F130 I132 V153 F155 A164 I179L111-F127 HydrophobicContact CD1-CE2 3.71Å; L111-F127 HydrophobicContact CD1-CZ 4.36Å; L111-F127 HydrophobicContact CD2-CE2 3.79Å; L111-F127 HydrophobicContact CD2-CZ 3.58Å; L111-F127 HydrophobicContact CG-CE2 4.35Å; I123-F127 HydrophobicContact CG2-CD2 3.98Å; I123-F127 HydrophobicContact CG2-CE2 4.13Å; I123-F127 VanDerWaalsContact O-CD2 3.29Å; I123-F127 WeakPolarHBondContact O-CD2 3.24Å; I123-F127 PolarHBondContact O-N 3.29Å; I123-F127 VanDerWaalsContact O-N 3.1Å; V124-F127 CarbonylContact O-C 3.54Å; V124-F127 VanDerWaalsContact O-C 3.24Å; V124-F127 PolarHBondContact O-N 3.01Å; Q125-F127 VanDerWaalsContact C-N 3.29Å; Q125-F127 PolarHBondContact O-N 3.17Å; F127-G129 PolarHBondContact O-N 3.13Å; F127-F130 HydrophobicContact CB-CD2 4.01Å; F127-F130 AromaticContact CD1-CD2 3.84Å; F127-F130 HydrophobicContact CD1-CD2 3.84Å; F127-F130 HydrophobicContact CD1-CE2 4.18Å; F127-F130 HydrophobicContact CG-CD2 4.43Å; F127-F130 WeakPolarHBondContact O-CB 3.38Å; F127-F130 WeakPolarHBondContact O-CD2 3.42Å; F127-F130 PolarHBondContact O-N 3.07Å; F127-I132 HydrophobicContact CB-CD1 3.48Å; F127-I132 VanDerWaalsContact CB-CD1 3.48Å; F127-I132 HydrophobicContact CB-CG1 4.39Å; F127-I132 HydrophobicContact CD2-CD1 4.34Å; F127-I132 HydrophobicContact CG-CD1 4.23Å; F127-V153 HydrophobicContact CE2-CG2 4.22Å; F127-F155 HydrophobicContact CB-CE1 4.45Å; F127-F155 HydrophobicContact CD1-CE1 4.2Å; F127-F155 AromaticContact CD1-CZ 3.85Å; F127-F155 HydrophobicContact CD1-CZ 3.85Å; F127-F155 HydrophobicContact CD2-CZ 4.28Å; F127-F155 HydrophobicContact CE1-CZ 4.02Å; F127-F155 HydrophobicContact CE2-CZ 4.43Å; F127-F155 HydrophobicContact CG-CE1 4.24Å; F127-F155 HydrophobicContact CG-CZ 4.01Å; F127-F155 HydrophobicContact CZ-CZ 4.31Å; F127-A164 HydrophobicContact CD1-CB 3.99Å; F127-A164 HydrophobicContact CE1-CB 3.76Å; F127-I179 HydrophobicContact CE1-CD1 4.03Å; F127-I179 HydrophobicContact CZ-CD1 3.94Å
128S77.6Confident79.2Confident77 Ų7763.8 Ų63.854%0.53835%0.348SS..THydrogen-bonded Turntrans-55132.1174.354.30000110.4V124 Q125 F126V124-S128 PolarHBondContact O-N 2.87Å; Q125-S128 WeakPolarHBondContact O-CB 3.49Å; Q125-S128 PolarHBondContact O-N 3.39Å; Q125-S128 PolarHBondContact O-OG 2.94Å; F126-S128 VanDerWaalsContact C-N 3.28Å; F126-S128 PolarHBondContact O-N 3.05Å
129G74.4Confident79.3Confident85 Ų8565.9 Ų65.988%0.87636%0.359SS*.THydrogen-bonded Turntrans94.6-8.9-173.200000115.1F127F127-G129 PolarHBondContact O-N 3.13Å
130F80.6Confident79Confident45 Ų4564.5 Ų64.520%0.19735%0.349CS..SBendtrans-104.4137173.8-59.9-61.3000111.8F127 I132 F155 I160 K163 A164 K167F127-F130 HydrophobicContact CB-CD2 4.01Å; F127-F130 AromaticContact CD1-CD2 3.84Å; F127-F130 HydrophobicContact CD1-CD2 3.84Å; F127-F130 HydrophobicContact CD1-CE2 4.18Å; F127-F130 HydrophobicContact CG-CD2 4.43Å; F127-F130 WeakPolarHBondContact O-CB 3.38Å; F127-F130 WeakPolarHBondContact O-CD2 3.42Å; F127-F130 PolarHBondContact O-N 3.07Å; F130-I132 PolarHBondContact O-N 3.09Å; F130-F155 HydrophobicContact CB-CD1 4.25Å; F130-F155 HydrophobicContact CB-CE1 3.94Å; F130-I160 HydrophobicContact CB-CG2 3.6Å; F130-I160 HydrophobicContact CD1-CG2 3.7Å; F130-I160 HydrophobicContact CG-CG2 3.96Å; F130-K163 HydrophobicContact CE1-CB 3.62Å; F130-K163 HydrophobicContact CZ-CB 4.17Å; F130-A164 HydrophobicContact CD2-CB 4.46Å; F130-A164 HydrophobicContact CE2-CB 4.34Å; F130-K167 HydrophobicContact CE2-CD 3.9Å; F130-K167 HydrophobicContact CE2-CG 4.48Å
131R74.4Confident78.8Confident202 Ų20264.8 Ų64.876%0.76236%0.357SS*.  trans-76.794.6174.1-67.9-168179.9-158.81.7110.1A156 I160R131-A156 HydrophobicContact CB-CB 4.33Å; R131-A156 WeakPolarHBondContact O-CB 3.36Å; R131-A156 PolarHBondContact O-N 2.83Å; R131-A156 VanDerWaalsContact O-N 3.08Å; R131-I160 HydrophobicContact CB-CD1 3.9Å
132I79.4Confident78.2Confident32 Ų3262 Ų6216%0.16435%0.346CS..EExtended strand (participates in β ladder)trans-84.3142.3171.3-60.1164.3000109.1F127 F130 I137 V153 Q154 F155F127-I132 HydrophobicContact CB-CD1 3.48Å; F127-I132 VanDerWaalsContact CB-CD1 3.48Å; F127-I132 HydrophobicContact CB-CG1 4.39Å; F127-I132 HydrophobicContact CD2-CD1 4.34Å; F127-I132 HydrophobicContact CG-CD1 4.23Å; F130-I132 PolarHBondContact O-N 3.09Å; I132-I137 HydrophobicContact CG2-CD1 4.26Å; I132-I137 HydrophobicContact CG2-CG1 4.01Å; I132-V153 HydrophobicContact CD1-CG1 4.2Å; I132-V153 HydrophobicContact CG1-CG1 4.12Å; I132-V153 HydrophobicContact CG2-CG1 3.82Å; I132-Q154 WeakPolarHBondContact CG2-O 3.47Å; I132-F155 HydrophobicContact CD1-CE1 4.29Å; I132-F155 HydrophobicContact CG1-CD1 3.81Å; I132-F155 HydrophobicContact CG1-CE1 3.6Å; I132-F155 HydrophobicContact CG1-CZ 4.45Å
133V76.1Confident77.4Confident49 Ų4968.2 Ų68.230%0.29737%0.367SS..EExtended strand (participates in β ladder)trans-67.9131.6175.8178.80000109.1N135 G136 Q154 A156V133-N135 PolarHBondContact O-N 3.43Å; V133-G136 WeakPolarHBondContact O-CA 3.19Å; V133-G136 PolarHBondContact O-N 2.59Å; V133-Q154 HydrophobicContact CG2-CG 4.29Å; V133-Q154 PolarHBondContact N-O 2.79Å; V133-A156 HydrophobicContact CG2-CB 4.22Å
134P60.4Low76.9Confident112 Ų11274.6 Ų74.673%0.72740%0.397SS*.EExtended strand (participates in β ladder)trans-59.4126.8172.224.1-32000109.4G136P134-G136 VanDerWaalsContact C-N 3.26Å; P134-G136 PolarHBondContact O-N 2.84Å
135N64.6Low76.2Confident133 Ų13373.9 Ų73.971%0.71140%0.404SS*.EExtended strand (participates in β ladder)trans68.914-169.9-52.8-33.4000115.8V133 I137V133-N135 PolarHBondContact O-N 3.43Å; N135-I137 VanDerWaalsContact C-N 3.26Å; N135-I137 PolarHBondContact O-N 2.95Å
136G71Confident75.8Confident0 Ų074 Ų740%040%0.398CS..EExtended strand (participates in β ladder)trans-78.8-4.5171.800000114.6V133 P134 V153 Q154V133-G136 WeakPolarHBondContact O-CA 3.19Å; V133-G136 PolarHBondContact O-N 2.59Å; P134-G136 VanDerWaalsContact C-N 3.26Å; P134-G136 PolarHBondContact O-N 2.84Å; G136-V153 CarbonylContact O-C 3.57Å; G136-Q154 WeakPolarHBondContact O-CB 3.33Å; G136-Q154 PolarHBondContact O-N 3.35Å
137I81.6Confident75.6Confident18 Ų1875.3 Ų75.39%0.09241%0.409CS..EExtended strand (participates in β ladder)trans-98.4125.8-180-56.4173.4000109K120 I123 V124 I132 N135 L139 F152 V153K120-I137 HydrophobicContact CG-CB 4.23Å; K120-I137 HydrophobicContact CG-CD1 3.93Å; K120-I137 HydrophobicContact CG-CG2 4.27Å; I123-I137 HydrophobicContact CD1-CG2 4.13Å; I123-I137 HydrophobicContact CG2-CD1 4.19Å; I123-I137 HydrophobicContact CG2-CG2 4.38Å; V124-I137 HydrophobicContact CG2-CD1 3.39Å; I132-I137 HydrophobicContact CG2-CD1 4.26Å; I132-I137 HydrophobicContact CG2-CG1 4.01Å; N135-I137 VanDerWaalsContact C-N 3.26Å; N135-I137 PolarHBondContact O-N 2.95Å; I137-L139 HydrophobicContact CG2-CD1 3.72Å; I137-F152 CarbonylContact C-O 3.59Å; I137-F152 WeakPolarHBondContact CA-O 3.48Å; I137-V153 HydrophobicContact CG1-CG1 4.22Å; I137-V153 HydrophobicContact CG1-CG2 4.3Å; I137-V153 HydrophobicContact CG2-CG2 4.46Å
138T80.9Confident75.3Confident16 Ų1678.1 Ų78.110%0.09843%0.427CS..EExtended strand (participates in β ladder)trans-126.3114.5-177.4-58.90000108.5P140 A151 F152 I187 Y191T138-P140 VanDerWaalsContact O-CD 3.31Å; T138-P140 WeakPolarHBondContact O-CD 3.27Å; T138-A151 CarbonylContact O-C 3.54Å; T138-A151 WeakPolarHBondContact O-CA 3.23Å; T138-F152 PolarHBondContact N-O 3.03Å; T138-F152 PolarHBondContact O-N 3.2Å; T138-I187 HydrophobicContact CG2-CG2 4Å; T138-Y191 HydrophobicContact CG2-CD2 4.49Å; T138-Y191 HydrophobicContact CG2-CE2 3.31Å; T138-Y191 WeakPolarHBondContact CG2-OH 3.37Å
139L83.9Confident75.5Confident54 Ų5474.8 Ų74.828%0.28340%0.404SS..  trans-103.899.3172.6-65.894.4000108.1K120 I123 I137 V141 A151K120-L139 HydrophobicContact CB-CD1 4.27Å; I123-L139 HydrophobicContact CD1-CD1 4.17Å; I123-L139 HydrophobicContact CD1-CD2 3.84Å; I123-L139 HydrophobicContact CD1-CG 4.08Å; I137-L139 HydrophobicContact CG2-CD1 3.72Å; L139-V141 PolarHBondContact O-N 3.49Å; L139-A151 HydrophobicContact CG-CB 4.03Å
140P77.6Confident76.1Confident14 Ų1472 Ų729%0.09137%0.369CS..  trans-58.8130.317025.8-35.5000109.7T138 T148 E150 F152T138-P140 VanDerWaalsContact O-CD 3.31Å; T138-P140 WeakPolarHBondContact O-CD 3.27Å; P140-T148 PolarHBondContact O-OG1 2.94Å; P140-T148 VanDerWaalsContact O-OG1 3.1Å; P140-E150 WeakPolarHBondContact CD-O 3.46Å; P140-E150 HydrophobicContact CG-CB 4.37Å; P140-F152 HydrophobicContact CG-CD2 4.3Å; P140-F152 HydrophobicContact CG-CE2 3.96Å
141V80.7Confident76.4Confident86 Ų8669.9 Ų69.952%0.52136%0.36SS..BIsolated β-bridgetrans-107.7146.6170.4-64.90000108.6L139 R146L139-V141 PolarHBondContact O-N 3.49Å; V141-R146 CarbonylContact C-O 3.45Å; V141-R146 WeakPolarHBondContact CA-O 3.5Å
142D72.7Confident76.9Confident64 Ų6460.3 Ų60.334%0.34232%0.323SS..  trans-62.6166.1172.8-17013.3000110.6Q144 G145 R146 T148D142-Q144 PolarHBondContact O-N 3.31Å; D142-G145 WeakPolarHBondContact O-CA 3.36Å; D142-G145 PolarHBondContact O-N 3.27Å; D142-R146 HydrophobicContact CB-CB 4.45Å; D142-R146 PolarHBondContact N-O 3.2Å; D142-R146 IonicContact OD2-CZ 2.77Å; D142-R146 IonicContact OD2-NE 3.14Å; D142-R146 IonicContact OD2-NH2 3.96Å; D142-R146 PolarHBondContact OD2-NH2 2.85Å; D142-R146 VanDerWaalsContact OD2-NH2 3.08Å; D142-T148 HydrophobicContact CB-CG2 4.18Å
143Y67.6Low77.2Confident212 Ų21258.8 Ų58.883%0.83132%0.316SS*.THydrogen-bonded Turntrans-56.3-25.1177.3-178.2-101.5000112.9G145Y143-G145 VanDerWaalsContact C-N 3.31Å
144Q74.3Confident77.6Confident133 Ų13358.4 Ų58.462%0.62131%0.31SS*.THydrogen-bonded Turntrans-87.47.1175.4-64.2-180-32.900113.8D142 R146D142-Q144 PolarHBondContact O-N 3.31Å; Q144-R146 VanDerWaalsContact C-N 3.29Å; Q144-R146 HydrophobicContact CB-CG 4.43Å; Q144-R146 PolarHBondContact O-N 2.78Å
145G70.9Confident78.7Confident54 Ų5453.1 Ų53.156%0.55728%0.276SS*.SBendtrans75.212.7-179.300000114.7D142 Y143D142-G145 WeakPolarHBondContact O-CA 3.36Å; D142-G145 PolarHBondContact O-N 3.27Å; Y143-G145 VanDerWaalsContact C-N 3.31Å
146R76.6Confident79.4Confident148 Ų14849.9 Ų49.956%0.55827%0.267SS*.  trans-87.1139.3179.4-61.7-179.5-60.8174.94.6110.8V141 D142 Q144 T148V141-R146 CarbonylContact C-O 3.45Å; V141-R146 WeakPolarHBondContact CA-O 3.5Å; D142-R146 HydrophobicContact CB-CB 4.45Å; D142-R146 PolarHBondContact N-O 3.2Å; D142-R146 IonicContact OD2-CZ 2.77Å; D142-R146 IonicContact OD2-NE 3.14Å; D142-R146 IonicContact OD2-NH2 3.96Å; D142-R146 PolarHBondContact OD2-NH2 2.85Å; D142-R146 VanDerWaalsContact OD2-NH2 3.08Å; Q144-R146 VanDerWaalsContact C-N 3.29Å; Q144-R146 HydrophobicContact CB-CG 4.43Å; Q144-R146 PolarHBondContact O-N 2.78Å; R146-T148 PolarHBondContact O-N 2.88Å
147S78.6Confident79.7Confident46 Ų4651.9 Ų51.932%0.32228%0.281SS..BIsolated β-bridgetrans-61.7124.2174.3-24.10000109.7F116 G149F116-S147 VanDerWaalsContact CD1-O 3.27Å; F116-S147 WeakPolarHBondContact CD1-O 3.42Å; F116-S147 WeakPolarHBondContact O-CB 3.5Å; F116-S147 PolarHBondContact O-OG 3.23Å; S147-G149 PolarHBondContact O-N 2.94Å
148T77.8Confident79.6Confident60 Ų6056.7 Ų56.737%0.36830%0.302SS..  trans-77.4-3.6-179.856.60000113.1P140 D142 R146 E150P140-T148 PolarHBondContact O-OG1 2.94Å; P140-T148 VanDerWaalsContact O-OG1 3.1Å; D142-T148 HydrophobicContact CB-CG2 4.18Å; R146-T148 PolarHBondContact O-N 2.88Å; T148-E150 PolarHBondContact O-N 3.45Å
149G81.9Confident79.6Confident7 Ų762.1 Ų62.17%0.07233%0.326CS..SBendtrans72.512.4-173.100000113G113 L114 S147G113-G149 PolarHBondContact N-O 2.75Å; L114-G149 PolarHBondContact N-O 3.27Å; L114-G149 WeakPolarHBondContact O-CA 3.41Å; S147-G149 PolarHBondContact O-N 2.94Å
150E85.9Confident79.4Confident28 Ų2861 Ų6113%0.13132%0.32CS..EExtended strand (participates in β ladder)trans-114.1142.7173.4-57.1-170.5151.200109.3K110 L111 R112 P140 T148 H190K110-E150 IonicContact NZ-OE1 3.15Å; K110-E150 IonicContact NZ-OE2 3.09Å; L111-E150 CarbonylContact O-C 3.54Å; L111-E150 VanDerWaalsContact O-CA 3.25Å; L111-E150 WeakPolarHBondContact O-CA 3.33Å; R112-E150 IonicContact NH1-OE1 3.06Å; R112-E150 PolarHBondContact NH1-OE1 3.32Å; R112-E150 VanDerWaalsContact NH1-OE1 3.14Å; P140-E150 WeakPolarHBondContact CD-O 3.46Å; P140-E150 HydrophobicContact CG-CB 4.37Å; T148-E150 PolarHBondContact O-N 3.45Å; E150-H190 IonicContact OE2-CE1 4Å; E150-H190 PolarHBondContact OE2-CE1 2.83Å; E150-H190 IonicContact OE2-NE2 3.81Å
151A86.6Confident79.6Confident0 Ų060.5 Ų60.50%032%0.317CS..EExtended strand (participates in β ladder)trans-142.9159171.200000110.3K110 L111 L114 I123 T138 L139K110-A151 CarbonylContact C-O 3.57Å; K110-A151 WeakPolarHBondContact CA-O 3.29Å; L111-A151 HydrophobicContact CB-CB 4.38Å; L111-A151 HydrophobicContact CD1-CB 4.32Å; L111-A151 PolarHBondContact N-O 3.21Å; L111-A151 PolarHBondContact O-N 3.33Å; L114-A151 HydrophobicContact CD1-CB 3.29Å; I123-A151 HydrophobicContact CD1-CB 3.83Å; T138-A151 CarbonylContact O-C 3.54Å; T138-A151 WeakPolarHBondContact O-CA 3.23Å; L139-A151 HydrophobicContact CG-CB 4.03Å
152F86.4Confident79.7Confident1 Ų161 Ų610%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-122.3137.2174-56.6-96.9000109.6M108 L109 K110 I137 T138 P140 E186 I187 H190M108-F152 HydrophobicContact CE-CD1 4.09Å; L109-F152 CarbonylContact O-C 3.56Å; L109-F152 WeakPolarHBondContact O-CA 3.44Å; K110-F152 HydrophobicContact CB-CD1 3.83Å; K110-F152 HydrophobicContact CB-CE1 3.87Å; K110-F152 HydrophobicContact CD-CD1 4.48Å; K110-F152 HydrophobicContact CD-CE1 3.71Å; K110-F152 HydrophobicContact CD-CZ 4.11Å; K110-F152 HydrophobicContact CG-CD1 4.12Å; K110-F152 HydrophobicContact CG-CE1 3.83Å; K110-F152 HydrophobicContact CG-CZ 4.38Å; I137-F152 CarbonylContact C-O 3.59Å; I137-F152 WeakPolarHBondContact CA-O 3.48Å; T138-F152 PolarHBondContact N-O 3.03Å; T138-F152 PolarHBondContact O-N 3.2Å; P140-F152 HydrophobicContact CG-CD2 4.3Å; P140-F152 HydrophobicContact CG-CE2 3.96Å; F152-E186 HydrophobicContact CE1-CB 4.22Å; F152-E186 HydrophobicContact CE1-CG 4.12Å; F152-E186 HydrophobicContact CZ-CG 4.37Å; F152-I187 HydrophobicContact CB-CD1 3.42Å; F152-I187 VanDerWaalsContact CB-CD1 3.42Å; F152-I187 HydrophobicContact CB-CG1 3.5Å; F152-I187 HydrophobicContact CD1-CD1 4.21Å; F152-I187 HydrophobicContact CD1-CG1 3.46Å; F152-I187 VanDerWaalsContact CD1-CG1 3.46Å; F152-I187 HydrophobicContact CD2-CD1 4.45Å; F152-I187 HydrophobicContact CD2-CG1 3.65Å; F152-I187 HydrophobicContact CE1-CG1 3.95Å; F152-I187 HydrophobicContact CE2-CG1 4.13Å; F152-I187 HydrophobicContact CG-CD1 3.84Å; F152-I187 HydrophobicContact CG-CG1 3.27Å; F152-I187 HydrophobicContact CZ-CG1 4.27Å; F152-H190 AromaticContact CZ-CD2 3.87Å
153V86.1Confident80.2Confident0 Ų064.6 Ų64.60%033%0.326CS..EExtended strand (participates in β ladder)trans-126124.2-177.7-177.40000109.1M108 L109 L111 I123 F127 I132 G136 I137 F155M108-V153 WeakPolarHBondContact CA-O 3.1Å; M108-V153 WeakPolarHBondContact CG-O 3.17Å; L109-V153 PolarHBondContact N-O 3.48Å; L109-V153 PolarHBondContact O-N 2.81Å; L111-V153 HydrophobicContact CD1-CG2 3.75Å; L111-V153 HydrophobicContact CG-CG2 4.21Å; I123-V153 HydrophobicContact CG2-CG2 3.69Å; F127-V153 HydrophobicContact CE2-CG2 4.22Å; I132-V153 HydrophobicContact CD1-CG1 4.2Å; I132-V153 HydrophobicContact CG1-CG1 4.12Å; I132-V153 HydrophobicContact CG2-CG1 3.82Å; G136-V153 CarbonylContact O-C 3.57Å; I137-V153 HydrophobicContact CG1-CG1 4.22Å; I137-V153 HydrophobicContact CG1-CG2 4.3Å; I137-V153 HydrophobicContact CG2-CG2 4.46Å; V153-F155 HydrophobicContact CB-CE2 4.01Å; V153-F155 HydrophobicContact CB-CZ 4.32Å; V153-F155 HydrophobicContact CG1-CD2 4.23Å; V153-F155 HydrophobicContact CG1-CE1 4.19Å; V153-F155 HydrophobicContact CG1-CE2 3.65Å; V153-F155 HydrophobicContact CG1-CZ 3.65Å
154Q83.6Confident80.9Confident40 Ų4054.5 Ų54.519%0.18729%0.287CS..EExtended strand (participates in β ladder)trans-98.5116.5173.3-173.5174.315.900110.3M108 I132 V133 G136M108-Q154 HydrophobicContact CG-CB 4.37Å; I132-Q154 WeakPolarHBondContact CG2-O 3.47Å; V133-Q154 HydrophobicContact CG2-CG 4.29Å; V133-Q154 PolarHBondContact N-O 2.79Å; G136-Q154 WeakPolarHBondContact O-CB 3.33Å; G136-Q154 PolarHBondContact O-N 3.35Å
155F83.2Confident81.4Confident2 Ų250.6 Ų50.61%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-87.7157.6174.1-64-85.1000111.2C107 L109 F127 F130 I132 V153 S157 I160 A161 A164C107-F155 VanDerWaalsContact CB-O 3.29Å; C107-F155 WeakPolarHBondContact CB-O 3.27Å; C107-F155 WeakPolarHBondContact O-CA 3.24Å; C107-F155 WeakPolarHBondContact O-CB 3.28Å; C107-F155 PolarHBondContact O-N 3.42Å; L109-F155 HydrophobicContact CB-CE2 4.07Å; L109-F155 HydrophobicContact CD1-CD2 4.13Å; L109-F155 HydrophobicContact CD1-CE2 3.41Å; L109-F155 VanDerWaalsContact CD1-CE2 3.41Å; L109-F155 HydrophobicContact CD1-CZ 4.07Å; L109-F155 HydrophobicContact CG-CD2 4.14Å; L109-F155 HydrophobicContact CG-CE2 3.71Å; F127-F155 HydrophobicContact CB-CE1 4.45Å; F127-F155 HydrophobicContact CD1-CE1 4.2Å; F127-F155 AromaticContact CD1-CZ 3.85Å; F127-F155 HydrophobicContact CD1-CZ 3.85Å; F127-F155 HydrophobicContact CD2-CZ 4.28Å; F127-F155 HydrophobicContact CE1-CZ 4.02Å; F127-F155 HydrophobicContact CE2-CZ 4.43Å; F127-F155 HydrophobicContact CG-CE1 4.24Å; F127-F155 HydrophobicContact CG-CZ 4.01Å; F127-F155 HydrophobicContact CZ-CZ 4.31Å; F130-F155 HydrophobicContact CB-CD1 4.25Å; F130-F155 HydrophobicContact CB-CE1 3.94Å; I132-F155 HydrophobicContact CD1-CE1 4.29Å; I132-F155 HydrophobicContact CG1-CD1 3.81Å; I132-F155 HydrophobicContact CG1-CE1 3.6Å; I132-F155 HydrophobicContact CG1-CZ 4.45Å; V153-F155 HydrophobicContact CB-CE2 4.01Å; V153-F155 HydrophobicContact CB-CZ 4.32Å; V153-F155 HydrophobicContact CG1-CD2 4.23Å; V153-F155 HydrophobicContact CG1-CE1 4.19Å; V153-F155 HydrophobicContact CG1-CE2 3.65Å; V153-F155 HydrophobicContact CG1-CZ 3.65Å; F155-S157 VanDerWaalsContact C-N 3.32Å; F155-I160 HydrophobicContact CB-CB 4.42Å; F155-I160 HydrophobicContact CB-CG2 4.21Å; F155-I160 HydrophobicContact CD1-CG2 3.5Å; F155-I160 VanDerWaalsContact CD1-CG2 3.5Å; F155-I160 HydrophobicContact CE1-CG2 4.21Å; F155-I160 HydrophobicContact CG-CG2 4.11Å; F155-A161 HydrophobicContact CB-CB 4.46Å; F155-A161 HydrophobicContact CD2-CB 4.06Å; F155-A161 HydrophobicContact CG-CB 4.44Å; F155-A164 HydrophobicContact CE1-CB 4.09Å; F155-A164 HydrophobicContact CE2-CB 4.18Å; F155-A164 HydrophobicContact CZ-CB 3.71Å
156A79.4Confident81.9Confident64 Ų6451.3 Ų51.353%0.52928%0.277SS..SBendtrans-73.4-25.6178.800000112.8R131 V133R131-A156 HydrophobicContact CB-CB 4.33Å; R131-A156 WeakPolarHBondContact O-CB 3.36Å; R131-A156 PolarHBondContact O-N 2.83Å; R131-A156 VanDerWaalsContact O-N 3.08Å; V133-A156 HydrophobicContact CG2-CB 4.22Å
157S77.9Confident82.1Confident42 Ų4246.3 Ų46.329%0.29426%0.259SS..  trans-139.8150-178.4174.50000111.3C107 F155 E159 I160 A161C107-S157 VanDerWaalsContact SG-C 3.52Å; F155-S157 VanDerWaalsContact C-N 3.32Å; S157-E159 VanDerWaalsContact C-N 3.32Å; S157-E159 PolarHBondContact OG-N 3.01Å; S157-I160 WeakPolarHBondContact O-CB 3.38Å; S157-I160 PolarHBondContact O-N 3.41Å; S157-A161 PolarHBondContact O-N 3.25Å
158K80Confident82.3Confident119 Ų11947.2 Ų47.252%0.51726%0.258SS..Hα-helixtrans-63.1-38176.3178.7-180177.4-1720111.7G106 C107 I160 A161 E162G106-K158 WeakPolarHBondContact O-CG 3.41Å; C107-K158 PolarHBondContact SG-N 2.74Å; K158-I160 PolarHBondContact O-N 3.22Å; K158-A161 WeakPolarHBondContact O-CB 3.44Å; K158-A161 PolarHBondContact O-N 2.9Å; K158-A161 VanDerWaalsContact O-N 3.11Å; K158-E162 PolarHBondContact O-N 2.87Å
159E79.2Confident82.6Confident130 Ų13050.8 Ų50.861%0.60727%0.269SS*.Hα-helixtrans-62.1-36178.2-61.9178.7-176.300112S157 E162 K163S157-E159 VanDerWaalsContact C-N 3.32Å; S157-E159 PolarHBondContact OG-N 3.01Å; E159-E162 PolarHBondContact O-N 3.36Å; E159-K163 WeakPolarHBondContact O-CG 3.36Å; E159-K163 PolarHBondContact O-N 2.62Å; E159-K163 VanDerWaalsContact O-N 3.1Å
160I81.6Confident82.7Confident31 Ų3154.4 Ų54.416%0.15928%0.284CS..Hα-helixtrans-69.2-39.7177.2-62.2177.1000109.8F130 R131 F155 S157 K158 E162 K163 A164F130-I160 HydrophobicContact CB-CG2 3.6Å; F130-I160 HydrophobicContact CD1-CG2 3.7Å; F130-I160 HydrophobicContact CG-CG2 3.96Å; R131-I160 HydrophobicContact CB-CD1 3.9Å; F155-I160 HydrophobicContact CB-CB 4.42Å; F155-I160 HydrophobicContact CB-CG2 4.21Å; F155-I160 HydrophobicContact CD1-CG2 3.5Å; F155-I160 VanDerWaalsContact CD1-CG2 3.5Å; F155-I160 HydrophobicContact CE1-CG2 4.21Å; F155-I160 HydrophobicContact CG-CG2 4.11Å; S157-I160 WeakPolarHBondContact O-CB 3.38Å; S157-I160 PolarHBondContact O-N 3.41Å; K158-I160 PolarHBondContact O-N 3.22Å; I160-E162 VanDerWaalsContact C-N 3.33Å; I160-E162 PolarHBondContact O-N 2.82Å; I160-K163 PolarHBondContact O-N 3.37Å; I160-A164 VanDerWaalsContact O-CB 3.31Å; I160-A164 WeakPolarHBondContact O-CB 2.98Å; I160-A164 PolarHBondContact O-N 2.87Å
161A81.1Confident82.5Confident3 Ų362.3 Ų62.33%0.02531%0.312CS..Hα-helixtrans-64.1-37.117600000112.2G106 L109 F155 S157 K158 A164 L165G106-A161 WeakPolarHBondContact O-CB 3.19Å; L109-A161 HydrophobicContact CD1-CB 4.43Å; L109-A161 WeakPolarHBondContact CD1-O 3.36Å; L109-A161 HydrophobicContact CD2-CB 4.31Å; L109-A161 HydrophobicContact CG-CB 4.27Å; F155-A161 HydrophobicContact CB-CB 4.46Å; F155-A161 HydrophobicContact CD2-CB 4.06Å; F155-A161 HydrophobicContact CG-CB 4.44Å; S157-A161 PolarHBondContact O-N 3.25Å; K158-A161 WeakPolarHBondContact O-CB 3.44Å; K158-A161 PolarHBondContact O-N 2.9Å; K158-A161 VanDerWaalsContact O-N 3.11Å; A161-A164 PolarHBondContact O-N 3.17Å; A161-L165 PolarHBondContact O-N 2.96Å
162E82.5Confident82.4Confident98 Ų9863 Ų6346%0.45832%0.316SS..Hα-helixtrans-67.6-40.8175-70.6-178.8168.100112.3K158 E159 I160 A164 L165K158-E162 PolarHBondContact O-N 2.87Å; E159-E162 PolarHBondContact O-N 3.36Å; I160-E162 VanDerWaalsContact C-N 3.33Å; I160-E162 PolarHBondContact O-N 2.82Å; E162-A164 VanDerWaalsContact C-N 3.34Å; E162-L165 WeakPolarHBondContact O-CB 3.34Å; E162-L165 PolarHBondContact O-N 2.77Å
163K83.5Confident82.2Confident139 Ų13966.4 Ų66.460%0.60435%0.351SS*.Hα-helixtrans-64.4-39.1172.9-69.4174.9-178.5176.70112F130 E159 I160 L165 G166F130-K163 HydrophobicContact CE1-CB 3.62Å; F130-K163 HydrophobicContact CZ-CB 4.17Å; E159-K163 WeakPolarHBondContact O-CG 3.36Å; E159-K163 PolarHBondContact O-N 2.62Å; E159-K163 VanDerWaalsContact O-N 3.1Å; I160-K163 PolarHBondContact O-N 3.37Å; K163-L165 VanDerWaalsContact C-N 3.29Å; K163-L165 PolarHBondContact O-N 3.36Å; K163-G166 PolarHBondContact O-N 2.79Å; K163-G166 VanDerWaalsContact O-N 3.08Å
164A82.9Confident81.9Confident0 Ų074.1 Ų74.10%039%0.387CS..Hα-helixtrans-66.8-28.9177.100000112.6L109 F127 F130 F155 I160 A161 E162 G166 K167 I179L109-A164 HydrophobicContact CD1-CB 3.55Å; F127-A164 HydrophobicContact CD1-CB 3.99Å; F127-A164 HydrophobicContact CE1-CB 3.76Å; F130-A164 HydrophobicContact CD2-CB 4.46Å; F130-A164 HydrophobicContact CE2-CB 4.34Å; F155-A164 HydrophobicContact CE1-CB 4.09Å; F155-A164 HydrophobicContact CE2-CB 4.18Å; F155-A164 HydrophobicContact CZ-CB 3.71Å; I160-A164 VanDerWaalsContact O-CB 3.31Å; I160-A164 WeakPolarHBondContact O-CB 2.98Å; I160-A164 PolarHBondContact O-N 2.87Å; A161-A164 PolarHBondContact O-N 3.17Å; E162-A164 VanDerWaalsContact C-N 3.34Å; A164-G166 PolarHBondContact O-N 2.72Å; A164-K167 PolarHBondContact O-N 2.93Å; A164-K167 VanDerWaalsContact O-N 3.16Å; A164-I179 VanDerWaalsContact O-CD1 3.27Å; A164-I179 WeakPolarHBondContact O-CD1 3.07Å
165L83.6Confident82Confident51 Ų5176.4 Ų76.427%0.26739%0.394SS..Hα-helixtrans-64.8-27.1171.1-168.867.4000112.5A161 E162 K163 K167 H168 I179 K181A161-L165 PolarHBondContact O-N 2.96Å; E162-L165 WeakPolarHBondContact O-CB 3.34Å; E162-L165 PolarHBondContact O-N 2.77Å; K163-L165 VanDerWaalsContact C-N 3.29Å; K163-L165 PolarHBondContact O-N 3.36Å; L165-K167 PolarHBondContact O-N 3.44Å; L165-H168 WeakPolarHBondContact O-CB 3.29Å; L165-H168 PolarHBondContact O-N 3.48Å; L165-H168 VanDerWaalsContact O-N 3.08Å; L165-I179 HydrophobicContact CD1-CB 4.29Å; L165-I179 HydrophobicContact CD1-CG2 4.01Å; L165-I179 WeakPolarHBondContact CD1-O 3.37Å; L165-K181 HydrophobicContact CD2-CD 4.3Å; L165-K181 HydrophobicContact CD2-CG 4.11Å
166G81.6Confident82.3Confident68 Ų6882.9 Ų82.970%0.70142%0.419SS*.THydrogen-bonded Turntrans-61.4-22.4173.700000113.8K163 A164 H168K163-G166 PolarHBondContact O-N 2.79Å; K163-G166 VanDerWaalsContact O-N 3.08Å; A164-G166 PolarHBondContact O-N 2.72Å; G166-H168 PolarHBondContact O-N 3.02Å
167K80.1Confident82.8Confident43 Ų4379.9 Ų79.919%0.18739%0.394CS..THydrogen-bonded Turntrans-84.511.5174.9-63.6-162.5165.4-163.70114F126 F130 A164 L165 K169 E170 I179F126-K167 HydrophobicContact CZ-CB 4.43Å; F126-K167 PolarHBondContact O-NZ 3.11Å; F130-K167 HydrophobicContact CE2-CD 3.9Å; F130-K167 HydrophobicContact CE2-CG 4.48Å; A164-K167 PolarHBondContact O-N 2.93Å; A164-K167 VanDerWaalsContact O-N 3.16Å; L165-K167 PolarHBondContact O-N 3.44Å; K167-K169 PolarHBondContact O-N 3.38Å; K167-E170 HydrophobicContact CB-CG 4.19Å; K167-E170 WeakPolarHBondContact CD-OE2 3.25Å; K167-E170 WeakPolarHBondContact CG-OE1 3.35Å; K167-E170 IonicContact NZ-OE2 3.93Å; K167-E170 WeakPolarHBondContact O-CB 3.22Å; K167-E170 WeakPolarHBondContact O-CG 3.37Å; K167-E170 PolarHBondContact O-N 3.21Å; K167-E170 VanDerWaalsContact O-N 3.13Å; K167-I179 HydrophobicContact CB-CD1 4.11Å
168H84.6Confident83.2Confident66 Ų6680.3 Ų80.331%0.30639%0.391SS..THydrogen-bonded Turntrans-59132.3178.4178.390.9000110.7L165 G166 E170 I179L165-H168 WeakPolarHBondContact O-CB 3.29Å; L165-H168 PolarHBondContact O-N 3.48Å; L165-H168 VanDerWaalsContact O-N 3.08Å; G166-H168 PolarHBondContact O-N 3.02Å; H168-E170 VanDerWaalsContact C-N 3.34Å; H168-I179 HydrophobicContact CB-CB 4.37Å; H168-I179 PolarHBondContact ND1-N 3.18Å; H168-I179 PolarHBondContact ND1-O 2.85Å
169K83.3Confident83.7Confident134 Ų13474.8 Ų74.858%0.58337%0.367SS*.THydrogen-bonded Turntrans73.410-173.9-62.5166179.7-173.90116.2K167 I177K167-K169 PolarHBondContact O-N 3.38Å; K169-I177 VanDerWaalsContact CA-O 3.27Å; K169-I177 WeakPolarHBondContact CA-O 3.44Å; K169-I177 PolarHBondContact N-O 2.95Å
170E83.9Confident83.9Confident83 Ų8372.8 Ų72.839%0.38836%0.357SS..  trans-65155.6164.3-72.7-173.5-170.200110.9F126 K167 H168 I177F126-E170 HydrophobicContact CE2-CB 3.46Å; F126-E170 VanDerWaalsContact CE2-CB 3.46Å; F126-E170 HydrophobicContact CZ-CB 3.68Å; K167-E170 HydrophobicContact CB-CG 4.19Å; K167-E170 WeakPolarHBondContact CD-OE2 3.25Å; K167-E170 WeakPolarHBondContact CG-OE1 3.35Å; K167-E170 IonicContact NZ-OE2 3.93Å; K167-E170 WeakPolarHBondContact O-CB 3.22Å; K167-E170 WeakPolarHBondContact O-CG 3.37Å; K167-E170 PolarHBondContact O-N 3.21Å; K167-E170 VanDerWaalsContact O-N 3.13Å; H168-E170 VanDerWaalsContact C-N 3.34Å; E170-I177 PolarHBondContact O-N 3.22Å
171R81.9Confident83.9Confident195 Ų19577.9 Ų77.974%0.73638%0.378SS*.EExtended strand (participates in β ladder)trans-100.2131.4-173.9-64.5-179.1179-174.4-1111.3R175R171-R175 CarbonylContact C-O 3.58Å; R171-R175 VanDerWaalsContact CA-O 3.23Å; R171-R175 WeakPolarHBondContact CA-O 3.3Å
172I84.4Confident83.2Confident15 Ų1578.2 Ų78.28%0.07738%0.38CS..EExtended strand (participates in β ladder)trans-107.2112.9164.1-61.9-179.7000107L114 P115 F126 H174 R175 I177L114-I172 HydrophobicContact CD2-CD1 3.78Å; P115-I172 HydrophobicContact CG-CG2 4.19Å; F126-I172 HydrophobicContact CB-CD1 3.68Å; F126-I172 HydrophobicContact CB-CG1 4.12Å; F126-I172 HydrophobicContact CD1-CD1 4.08Å; F126-I172 HydrophobicContact CD2-CD1 3.59Å; F126-I172 HydrophobicContact CD2-CG1 3.28Å; F126-I172 HydrophobicContact CE2-CD1 4.16Å; F126-I172 HydrophobicContact CE2-CG1 3.73Å; F126-I172 HydrophobicContact CG-CD1 3.51Å; F126-I172 HydrophobicContact CG-CG1 3.79Å; I172-H174 PolarHBondContact O-N 3.29Å; I172-R175 PolarHBondContact N-O 2.93Å; I172-R175 PolarHBondContact O-N 2.99Å; I172-I177 HydrophobicContact CB-CD1 4.07Å; I172-I177 HydrophobicContact CB-CG1 3.89Å; I172-I177 HydrophobicContact CD1-CD1 4.26Å; I172-I177 HydrophobicContact CD1-CG1 3.66Å; I172-I177 HydrophobicContact CG1-CD1 4.25Å; I172-I177 HydrophobicContact CG1-CG1 3.56Å
173G81.7Confident82.5Confident72 Ų7275.6 Ų75.674%0.74237%0.373SS*.THydrogen-bonded Turntrans60.3-120.9-171.200000111.5
174H80.9Confident81.3Confident162 Ų16273.8 Ų73.875%0.7536%0.362SS*.THydrogen-bonded Turntrans-971-178.968.5-85.4000114.1I172I172-H174 PolarHBondContact O-N 3.29Å
175R85.3Confident80Confident87 Ų8778.8 Ų78.833%0.32838%0.381SS..EExtended strand (participates in β ladder)trans-113.9140.7-177.7-64.7-169.862.2151.53.7111G113 R171 I172G113-R175 WeakPolarHBondContact O-CB 3.31Å; G113-R175 WeakPolarHBondContact O-CD 3.15Å; G113-R175 PolarHBondContact O-NE 2.95Å; R171-R175 CarbonylContact C-O 3.58Å; R171-R175 VanDerWaalsContact CA-O 3.23Å; R171-R175 WeakPolarHBondContact CA-O 3.3Å; I172-R175 PolarHBondContact N-O 2.93Å; I172-R175 PolarHBondContact O-N 2.99Å
176Y89.1Confident78.8Confident139 Ų13979.5 Ų79.555%0.54538%0.383SS..EExtended strand (participates in β ladder)trans-80142.5167.658-92.8000109.7E178Y176-E178 HydrophobicContact CD2-CG 4.18Å; Y176-E178 HydrophobicContact CE2-CG 4.2Å
177I89.8Confident77.8Confident0 Ų076.7 Ų76.70%035%0.352CS..  trans-105.8126.4-177.8-52.4-50.8000109.3L111 G113 L114 F126 K169 E170 I172 I179L111-I177 HydrophobicContact CB-CG2 4.06Å; L111-I177 HydrophobicContact CD2-CG2 4.38Å; G113-I177 VanDerWaalsContact O-CD1 3.29Å; G113-I177 WeakPolarHBondContact O-CD1 3.32Å; L114-I177 HydrophobicContact CD2-CD1 3.74Å; L114-I177 HydrophobicContact CD2-CG1 4.22Å; L114-I177 HydrophobicContact CD2-CG2 4.31Å; L114-I177 HydrophobicContact CG-CD1 4.27Å; F126-I177 HydrophobicContact CZ-CB 4.38Å; K169-I177 VanDerWaalsContact CA-O 3.27Å; K169-I177 WeakPolarHBondContact CA-O 3.44Å; K169-I177 PolarHBondContact N-O 2.95Å; E170-I177 PolarHBondContact O-N 3.22Å; I172-I177 HydrophobicContact CB-CD1 4.07Å; I172-I177 HydrophobicContact CB-CG1 3.89Å; I172-I177 HydrophobicContact CD1-CD1 4.26Å; I172-I177 HydrophobicContact CD1-CG1 3.66Å; I172-I177 HydrophobicContact CG1-CD1 4.25Å; I172-I177 HydrophobicContact CG1-CG1 3.56Å; I177-I179 HydrophobicContact CG2-CG1 4.49Å
178E86.9Confident76.6Confident51 Ų5180.6 Ų80.624%0.23837%0.369CS..EExtended strand (participates in β ladder)trans-94.6122.6174.4-61.1179.8139.600108.7L111 R112 Y176 F180L111-E178 CarbonylContact C-O 3.51Å; L111-E178 WeakPolarHBondContact CA-O 3.49Å; R112-E178 HydrophobicContact CB-CB 4.31Å; R112-E178 PolarHBondContact N-O 2.92Å; R112-E178 IonicContact NE-OE2 3.88Å; R112-E178 PolarHBondContact O-N 3.14Å; Y176-E178 HydrophobicContact CD2-CG 4.18Å; Y176-E178 HydrophobicContact CE2-CG 4.2Å; E178-F180 HydrophobicContact CB-CD2 4.35Å; E178-F180 HydrophobicContact CB-CE2 3.51Å; E178-F180 HydrophobicContact CB-CZ 3.95Å
179I88.9Confident75Confident3 Ų380.5 Ų80.52%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-104.2124.6178.7-51.5178.1000108.3L109 K110 L111 F126 F127 A164 L165 K167 H168 I177L109-I179 HydrophobicContact CB-CG2 3.97Å; L109-I179 HydrophobicContact CD1-CG2 3.7Å; L109-I179 HydrophobicContact CD2-CG2 4.36Å; L109-I179 HydrophobicContact CG-CG2 4.23Å; K110-I179 CarbonylContact O-C 3.48Å; K110-I179 WeakPolarHBondContact O-CA 3.36Å; L111-I179 HydrophobicContact CD2-CB 4.39Å; L111-I179 HydrophobicContact CD2-CD1 4.46Å; L111-I179 HydrophobicContact CD2-CG1 3.84Å; L111-I179 HydrophobicContact CD2-CG2 4.15Å; F126-I179 HydrophobicContact CE1-CD1 4.02Å; F126-I179 HydrophobicContact CZ-CD1 4.4Å; F127-I179 HydrophobicContact CE1-CD1 4.03Å; F127-I179 HydrophobicContact CZ-CD1 3.94Å; A164-I179 VanDerWaalsContact O-CD1 3.27Å; A164-I179 WeakPolarHBondContact O-CD1 3.07Å; L165-I179 HydrophobicContact CD1-CB 4.29Å; L165-I179 HydrophobicContact CD1-CG2 4.01Å; L165-I179 WeakPolarHBondContact CD1-O 3.37Å; K167-I179 HydrophobicContact CB-CD1 4.11Å; H168-I179 HydrophobicContact CB-CB 4.37Å; H168-I179 PolarHBondContact ND1-N 3.18Å; H168-I179 PolarHBondContact ND1-O 2.85Å; I177-I179 HydrophobicContact CG2-CG1 4.49Å
180F85Confident73.6Confident89 Ų8977.9 Ų77.939%0.3937%0.369SS..EExtended strand (participates in β ladder)trans-118.3145.3176.5-61-84.4000109.8L109 K110 R112 E178 S182L109-F180 CarbonylContact C-O 3.55Å; L109-F180 WeakPolarHBondContact CA-O 3.09Å; K110-F180 HydrophobicContact CB-CB 4.36Å; K110-F180 PolarHBondContact N-O 3.19Å; K110-F180 PolarHBondContact O-N 2.93Å; R112-F180 HydrophobicContact CB-CD2 4.43Å; R112-F180 HydrophobicContact CB-CE2 4.03Å; E178-F180 HydrophobicContact CB-CD2 4.35Å; E178-F180 HydrophobicContact CB-CE2 3.51Å; E178-F180 HydrophobicContact CB-CZ 3.95Å; F180-S182 PolarHBondContact O-N 3.27Å
181K80.3Confident72.1Confident137 Ų13780.7 Ų80.760%0.59638%0.377SS*.EExtended strand (participates in β ladder)trans-71.8123.4167.5-65.3-174.2-178.8-173.20107.7L109 L165L109-K181 HydrophobicContact CD2-CG 4.28Å; L165-K181 HydrophobicContact CD2-CD 4.3Å; L165-K181 HydrophobicContact CD2-CG 4.11Å
182S67.6Low70.6Confident11 Ų1176.5 Ų76.58%0.07737%0.37CS..  trans-134.9150.1-179.8-76.20000110.9M108 K110 F180 E186M108-S182 CarbonylContact C-O 3.47Å; M108-S182 WeakPolarHBondContact CB-O 3.44Å; M108-S182 PolarHBondContact O-N 2.9Å; K110-S182 WeakPolarHBondContact CB-OG 3.39Å; F180-S182 PolarHBondContact O-N 3.27Å; S182-E186 WeakPolarHBondContact CB-OE2 3.43Å; S182-E186 PolarHBondContact OG-OE2 3.4Å
183S66.4Low68.7Low43 Ų4381 Ų8130%0.30139%0.393SS..  trans-93.9154.4176.967.40000110.8M108 W185 E186M108-S183 WeakPolarHBondContact CE-O 3.09Å; S183-W185 PolarHBondContact O-N 3.41Å; S183-E186 PolarHBondContact O-N 3.1Å
184R59.7Low66.8Low101 Ų10183.2 Ų83.238%0.38139%0.394SS..Hα-helixtrans-50.1-21.8176.3-171.759.9153-176.2-9.2113.5C104 M108C104-R184 HydrophobicContact CB-CB 4.42Å; C104-R184 VanDerWaalsContact SG-CB 3.52Å; M108-R184 HydrophobicContact SD-CB 4.2Å
185W54.4Low64.7Low105 Ų10587 Ų8740%0.39840%0.402SS..Hα-helixtrans-70.2-34.9177.7-140.4-93.9000113.8S183 I187 K188 A189S183-W185 PolarHBondContact O-N 3.41Å; W185-I187 VanDerWaalsContact C-N 3.32Å; W185-I187 PolarHBondContact O-N 2.81Å; W185-K188 PolarHBondContact O-N 3.42Å; W185-A189 PolarHBondContact O-N 3.2Å
186E59.4Low62.7Low65 Ų6594.6 Ų94.630%0.30443%0.431SS..Hα-helixtrans-67-34.8-179.6-163.6178.616700111.7K110 F152 S182 S183 H190K110-E186 VanDerWaalsContact CD-OE1 3.22Å; K110-E186 WeakPolarHBondContact CD-OE1 3.39Å; K110-E186 IonicContact NZ-OE1 3.08Å; K110-E186 PolarHBondContact NZ-OE1 3.35Å; F152-E186 HydrophobicContact CE1-CB 4.22Å; F152-E186 HydrophobicContact CE1-CG 4.12Å; F152-E186 HydrophobicContact CZ-CG 4.37Å; S182-E186 WeakPolarHBondContact CB-OE2 3.43Å; S182-E186 PolarHBondContact OG-OE2 3.4Å; S183-E186 PolarHBondContact O-N 3.1Å; E186-H190 PolarHBondContact O-CD2 3.36Å; E186-H190 PolarHBondContact O-N 2.74Å; E186-H190 VanDerWaalsContact O-N 3.11Å
187I61.1Low60.3Low10 Ų1091.1 Ų91.15%0.05144%0.437CS..Hα-helixtrans-60.3-47.2171.8-69.5175000110.8M108 T138 F152 W185 H190 Y191M108-I187 HydrophobicContact CE-CB 4.49Å; M108-I187 HydrophobicContact CE-CD1 3.27Å; M108-I187 HydrophobicContact CE-CG1 3.48Å; M108-I187 VanDerWaalsContact CE-CG1 3.48Å; M108-I187 HydrophobicContact CG-CD1 4.39Å; M108-I187 HydrophobicContact SD-CD1 3.19Å; M108-I187 WeakPolarHBondContact SD-CD1 3.41Å; M108-I187 HydrophobicContact SD-CG1 4.1Å; T138-I187 HydrophobicContact CG2-CG2 4Å; F152-I187 HydrophobicContact CB-CD1 3.42Å; F152-I187 VanDerWaalsContact CB-CD1 3.42Å; F152-I187 HydrophobicContact CB-CG1 3.5Å; F152-I187 HydrophobicContact CD1-CD1 4.21Å; F152-I187 HydrophobicContact CD1-CG1 3.46Å; F152-I187 VanDerWaalsContact CD1-CG1 3.46Å; F152-I187 HydrophobicContact CD2-CD1 4.45Å; F152-I187 HydrophobicContact CD2-CG1 3.65Å; F152-I187 HydrophobicContact CE1-CG1 3.95Å; F152-I187 HydrophobicContact CE2-CG1 4.13Å; F152-I187 HydrophobicContact CG-CD1 3.84Å; F152-I187 HydrophobicContact CG-CG1 3.27Å; F152-I187 HydrophobicContact CZ-CG1 4.27Å; W185-I187 VanDerWaalsContact C-N 3.32Å; W185-I187 PolarHBondContact O-N 2.81Å; I187-H190 PolarHBondContact O-N 3.18Å; I187-Y191 HydrophobicContact CG2-CD2 3.59Å; I187-Y191 HydrophobicContact CG2-CE2 3.63Å; I187-Y191 WeakPolarHBondContact O-CD2 3.29Å; I187-Y191 PolarHBondContact O-N 2.93Å
188K54.1Low58Low125 Ų12597.4 Ų97.454%0.54348%0.475SS..Hα-helixtrans-67.8-38.4-176-171.2170.7-178.51750111.4W185 H190 Y191 D192W185-K188 PolarHBondContact O-N 3.42Å; K188-H190 VanDerWaalsContact C-N 3.29Å; K188-H190 PolarHBondContact O-N 3.24Å; K188-Y191 PolarHBondContact O-N 2.89Å; K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 PolarHBondContact O-N 2.8Å
189A51.8Low56.1Low64 Ų64100 Ų10053%0.52950%0.499SS..Hα-helixtrans-62.3-34.7172.700000112.9W185W185-A189 PolarHBondContact O-N 3.2Å
190H53.6Low54.2Low79 Ų79106 Ų10637%0.36654%0.536SS..Hα-helixtrans-73.8-29.7173.2-94-86.1000113.6E150 F152 E186 I187 K188E150-H190 IonicContact OE2-CE1 4Å; E150-H190 PolarHBondContact OE2-CE1 2.83Å; E150-H190 IonicContact OE2-NE2 3.81Å; F152-H190 AromaticContact CZ-CD2 3.87Å; E186-H190 PolarHBondContact O-CD2 3.36Å; E186-H190 PolarHBondContact O-N 2.74Å; E186-H190 VanDerWaalsContact O-N 3.11Å; I187-H190 PolarHBondContact O-N 3.18Å; K188-H190 VanDerWaalsContact C-N 3.29Å; K188-H190 PolarHBondContact O-N 3.24Å
191Y52.7Low52.2Low142 Ų142109.3 Ų109.356%0.55755%0.553SS**Hα-helixtrans-76.9-35.8172.6-87.8-71.1000113.1T138 I187 K188 L193T138-Y191 HydrophobicContact CG2-CD2 4.49Å; T138-Y191 HydrophobicContact CG2-CE2 3.31Å; T138-Y191 WeakPolarHBondContact CG2-OH 3.37Å; I187-Y191 HydrophobicContact CG2-CD2 3.59Å; I187-Y191 HydrophobicContact CG2-CE2 3.63Å; I187-Y191 WeakPolarHBondContact O-CD2 3.29Å; I187-Y191 PolarHBondContact O-N 2.93Å; K188-Y191 PolarHBondContact O-N 2.89Å; Y191-L193 PolarHBondContact O-N 3.43Å
192D50.4Low50.6Low107 Ų107114 Ų11457%0.57257%0.566SS**  trans-78.555.4173.3-72.8-37.8000109.8K188K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 PolarHBondContact O-N 2.8Å
193L42.8Very low49.4Very low110 Ų110118.1 Ų118.158%0.57659%0.593SS**  trans-49.9136.5153.3-85.5163.5000107.3Y191 R195Y191-L193 PolarHBondContact O-N 3.43Å; L193-R195 PolarHBondContact O-N 3.04Å
194P41.7Very low48.4Very low117 Ų117117.8 Ų117.876%0.7660%0.597SS**  trans-57.4113.2-174.922.6-31000108R196P194-R196 PolarHBondContact O-N 3.33Å
195R38.6Very low47.7Very low241 Ų241119.5 Ų119.591%0.90962%0.621SS**  trans-50.3110.9160.7-97.3-173.1170-170.7-2.2106L193 G197L193-R195 PolarHBondContact O-N 3.04Å; R195-G197 PolarHBondContact O-N 3.35Å; R195-G197 VanDerWaalsContact O-N 3.11Å
196R41.9Very low47Very low248 Ų248125.1 Ų125.194%0.93664%0.644SS**  trans-38.7120.2166.4-157.6178.5-171.7-1762.3107.7P194P194-R196 PolarHBondContact O-N 3.33Å
197G40.1Very low46.6Very low65 Ų65126.7 Ų126.767%0.6765%0.654SS**  trans-54135.9-158.400000114.9R195 S199R195-G197 PolarHBondContact O-N 3.35Å; R195-G197 VanDerWaalsContact O-N 3.11Å; G197-S199 VanDerWaalsContact C-N 3.29Å; G197-S199 PolarHBondContact O-N 3.1Å
198T40.5Very low45.9Very low133 Ų133137 Ų13782%0.81669%0.692SS**  trans-72.799.9132.744.70000106.1T200T198-T200 PolarHBondContact O-N 2.88Å
199S47.5Very low45.1Very low105 Ų105136.3 Ų136.373%0.73470%0.701SS**  trans-54.883167.5520000110.6G197 Q201G197-S199 VanDerWaalsContact C-N 3.29Å; G197-S199 PolarHBondContact O-N 3.1Å; S199-Q201 PolarHBondContact O-N 2.78Å; S199-Q201 VanDerWaalsContact O-N 3.15Å
200T49.4Very low44.5Very low128 Ų128140.1 Ų140.179%0.78572%0.717SS**  trans-76.785.5145.742.10000105.5T198 R202T198-T200 PolarHBondContact O-N 2.88Å; T200-R202 PolarHBondContact O-N 3.18Å
201Q42.7Very low43.8Very low159 Ų159143 Ų14374%0.74373%0.734SS**PPolyproline II helixtrans-49.3116.2163.3-75.1-150.73.600107.2S199 P203S199-Q201 PolarHBondContact O-N 2.78Å; S199-Q201 VanDerWaalsContact O-N 3.15Å; Q201-P203 WeakPolarHBondContact O-CD 3.27Å
202R45.7Very low43.2Very low235 Ų235141.1 Ų141.189%0.88775%0.747SS**PPolyproline II helixtrans-67.6118.8158.4-77.1-175.5172-170.6-1.9105.2T200 G204T200-R202 PolarHBondContact O-N 3.18Å; R202-G204 PolarHBondContact O-N 3.18Å
203P42.7Very low42.4Very low99 Ų99139.9 Ų139.964%0.64375%0.752SS**PPolyproline II helixtrans-58130.4178.9-20.631.8000109.1Q201 D207Q201-P203 WeakPolarHBondContact O-CD 3.27Å; P203-D207 WeakPolarHBondContact CA-OD2 3.47Å; P203-D207 HydrophobicContact CB-CB 3.77Å; P203-D207 WeakPolarHBondContact CB-OD2 3.32Å
204G45.6Very low42.3Very low36 Ų36140.3 Ų140.337%0.37176%0.761SS.*PPolyproline II helixtrans-66.5156.6174.300000109.8R202 Y206 D207R202-G204 PolarHBondContact O-N 3.18Å; G204-Y206 PolarHBondContact O-N 3.3Å; G204-D207 PolarHBondContact N-OD2 2.83Å; G204-D207 PolarHBondContact O-N 2.86Å
205P45.6Very low42Very low136 Ų136146.7 Ų146.788%0.88377%0.77SS**THydrogen-bonded Turntrans-58.97.5178.8-25.335000117.1
206Y40.2Very low41.6Very low224 Ų224138.7 Ų138.788%0.87876%0.763SS**THydrogen-bonded Turntrans-123.27.1173.2-78.7-81.8000114.1G204 R208G204-Y206 PolarHBondContact O-N 3.3Å; Y206-R208 VanDerWaalsContact C-N 3.31Å; Y206-R208 PolarHBondContact O-N 3.08Å
207D49Very low41.2Very low98 Ų98132.2 Ų132.252%0.52476%0.755SS.*  trans-7588.9171.4-71.9-35.4000109.5P203 G204P203-D207 WeakPolarHBondContact CA-OD2 3.47Å; P203-D207 HydrophobicContact CB-CB 3.77Å; P203-D207 WeakPolarHBondContact CB-OD2 3.32Å; G204-D207 PolarHBondContact N-OD2 2.83Å; G204-D207 PolarHBondContact O-N 2.86Å
208R46.4Very low40.7Very low226 Ų226135.9 Ų135.985%0.85376%0.759SS**  trans-64.3124176.9-148176.8-156.4-174.85.1108.6Y206 V210Y206-R208 VanDerWaalsContact C-N 3.31Å; Y206-R208 PolarHBondContact O-N 3.08Å; R208-V210 PolarHBondContact O-N 3.11Å; R208-V210 VanDerWaalsContact O-N 3.11Å
209P38.8Very low40.5Very low111 Ų111139.6 Ų139.672%0.72176%0.759SS**  trans-64.1119.7173.825.9-30.5000107.8I211P209-I211 PolarHBondContact O-N 2.8Å
210V38.8Very low39.6Very low144 Ų144137.8 Ų137.887%0.87376%0.757SS**  trans-60.3108.8167.5176.20000106.2R208 A212R208-V210 PolarHBondContact O-N 3.11Å; R208-V210 VanDerWaalsContact O-N 3.11Å; V210-A212 PolarHBondContact O-N 2.74Å
211I38.7Very low39.2Very low139 Ų139138.1 Ų138.171%0.71376%0.762SS**  trans-55.2109.2173.3-69.2170.8000107P209 A213P209-I211 PolarHBondContact O-N 2.8Å; I211-A213 HydrophobicContact CG2-CB 4.17Å; I211-A213 PolarHBondContact O-N 2.97Å
212A40.1Very low38.5Very low102 Ų102133.9 Ų133.984%0.84376%0.761SS**  trans-56.9116.2154.300000107.3V210V210-A212 PolarHBondContact O-N 2.74Å
213A32.7Very low37.9Very low81 Ų81134.5 Ų134.567%0.66976%0.763SS**  trans-129155.1171.200000107.6I211I211-A213 HydrophobicContact CG2-CB 4.17Å; I211-A213 PolarHBondContact O-N 2.97Å
214P41.3Very low37.3Very low119 Ų119135 Ų13577%0.77377%0.769SS**  -119.7-178.8-113.834.3-18.9000113
215R35.5Very low36.6Very low252 Ų252141.3 Ų141.395%0.95179%0.793SS**  trans102.8120.1177.2-63.3-177.9165.3169.4-2.2111.2
216G30.2Very low35.8Very low73 Ų73138 Ų13875%0.75378%0.783SS**  cis134.7104.42500000105.5
217S33.3Very low35.4Very low111 Ų111134.8 Ų134.878%0.77678%0.781SS**  trans25.5126.8161.4-57.10000119.7
218L30.9Very low34.7Very low142 Ų142137.1 Ų137.174%0.74379%0.792SS**  176141.5106.4-121.355000113.5
219Y35.5Very low34.1Very low212 Ų212131.9 Ų131.983%0.83178%0.781SS**  trans71.2111.6160.1-69.4-75.3000120.7
220G28.3Very low34Very low67 Ų67134.5 Ų134.569%0.69179%0.789SS**  trans-78.1-168.1142.400000110.7
221P40.9Very low33.6Very low135 Ų135134.5 Ų134.588%0.87778%0.781SS**  cis-135.2167-0.838.9-20.9000115.3
222G27.5Very low33.3Very low70 Ų70139.3 Ų139.372%0.72279%0.791SS**  trans99.8148.6140.700000120.6
223R33.2Very low32.9Very low247 Ų247140.3 Ų140.393%0.93279%0.791SS**  trans78.1105.7159.8-53.8-173.5-179.4-119.70.5115.8
224S30.4Very low32.7Very low111 Ų111139.9 Ų139.978%0.77680%0.795SS**  76.3111.571.9-169.80000114
225L30.6Very low32.2Very low168 Ų168137.1 Ų137.188%0.8879%0.788SS**  trans81.8124.8138.7-15974.8000120.8
226G30.1Very low31.7Very low65 Ų65128 Ų12867%0.6777%0.772SS**  trans70.4165.5139.400000116
227L32Very low31.6Very low158 Ų158134.9 Ų134.983%0.82778%0.777SS**  cis171.7151.9-8.3-168.680.6000101.5
228L34.8Very low31.4Very low146 Ų146133.5 Ų133.576%0.76478%0.781SS**  trans78.3108.8164.9-104.171.5000119.2
229D33.8Very low31.2Very low117 Ų117131 Ų13163%0.62679%0.789SS**  34.3114.8108-146.1-83.8000116.9
230N35.1Very low30.8Very low165 Ų165124 Ų12488%0.88278%0.782SS**  trans-149.7116.3136.4-126.819.4000110.7
231M31.6Very low30.7Very low144 Ų144132.1 Ų132.171%0.70979%0.793SS**  trans-53.7167.2168.8-57179.8174.500113.7
232R31.1Very low30.3Very low241 Ų241131 Ų13191%0.90979%0.789SS**  trans91.1103.4151.2-66.4172.3172.5-158.9-3.7118.1
233S32.4Very low30.2Very low122 Ų122133.1 Ų133.185%0.85379%0.792SS**  161.6126.4116.3-1580000106.8
234G28.1Very low29.7Very low73 Ų73129.4 Ų129.475%0.75378%0.783SS**  cis92.1103.231.200000110
235G30.2Very low29.6Very low61 Ų61128.4 Ų128.463%0.62977%0.77SS**  trans113.4111173.100000112.3
236G26.5Very low29.4Very low60 Ų60125.8 Ų125.862%0.61977%0.765SS**  75.7136.176.500000108.4
237Y27.9Very low29.2Very low217 Ų217131.8 Ų131.885%0.85177%0.769SS**  cis-173.8150.847.6-33-84.8000108.6
238G28.6Very low29.1Very low83 Ų83130.8 Ų130.886%0.85676%0.764SS**  trans39.4128.7152.500000120.9
239G27.2Very low28.7Very low88 Ų88126.7 Ų126.791%0.90776%0.758SS**  cis106124.339.700000109.9
240G26.2Very low28.5Very low67 Ų67128.9 Ų128.969%0.69177%0.769SS**  trans138.2109.7154.900000119.3
241Y27Very low28.1Very low236 Ų236125.1 Ų125.193%0.92576%0.755SS**  trans72.1115138.2-68.2-85.5000123.1
242S31.2Very low27.8Very low112 Ų112124.3 Ų124.378%0.78375%0.753SS**  trans-80.7141.7152.851.20000112.4
243S25.8Very low27.8Very low114 Ų114123.5 Ų123.580%0.79775%0.752SS**  trans178120.8144.3-129.10000108.2
244F23.8Very low27.5Very low169 Ų169121.7 Ų121.774%0.74174%0.74SS**  105.1117.886.4170.9-86.5000110.2
245D27.8Very low27.5Very low91 Ų91129.1 Ų129.149%0.48775%0.746SS.*  trans77.7119.8147.1-69.6-132000122.7
246S26.9Very low27.4Very low112 Ų112130.8 Ų130.878%0.78375%0.748SS**  -173.1120.991.4-730000108.7
247Y25.7Very low27.4Very low191 Ų191135.9 Ų135.975%0.74976%0.762SS**  89.5123.577.5-137.9-92.6000113.5
248N29.8Very low27.4Very low137 Ų137128.9 Ų128.973%0.73376%0.755SS**  trans63.6132.1165.8-88.8-8.2000119.1
249G27.2Very low27.4Very low61 Ų61133.8 Ų133.863%0.62976%0.758SS**  cis114.3141.415.200000111
250L27.9Very low27.4Very low163 Ų163138.3 Ų138.385%0.85375%0.753SS**  trans79.7142.9169.3-62.8-16.7000116.4
251S28Very low27.7Very low86 Ų86140.7 Ų140.760%0.60175%0.75SS**  cis-178.2134.5-1.2-99.60000105.7
252D25.7Very low27.8Very low126 Ų126134.7 Ų134.767%0.67473%0.734SS**  92.6132.585.5-158.5-1.1000112.5S254D252-S254 PolarHBondContact OD1-N 2.84Å
253Y29.9Very low27.9Very low225 Ų225140.8 Ų140.888%0.88274%0.74SS**  trans-17291.4141.1-91.2-63.2000109.8
254S25.7Very low28.2Very low84 Ų84142.2 Ų142.259%0.58774%0.735SS**  49.3120.7123.6-35.30000121.3D252D252-S254 PolarHBondContact OD1-N 2.84Å
255Y29.6Very low28.7Very low229 Ų229145.1 Ų145.190%0.89874%0.741SS**  -168.9145.3107.3-121.4-95000113.1
256S26.9Very low28.8Very low96 Ų96144.5 Ų144.567%0.67176%0.757SS**  trans-54.4156.6-170-46.60000118.6
257D27.4Very low29Very low167 Ų167145.7 Ų145.789%0.89375%0.754SS**  177150.193.5-137.1-72.5000113.1
258G27.8Very low29.3Very low69 Ų69147.3 Ų147.371%0.71176%0.759SS**  trans106.986.5152.100000120.6
259M27.3Very low29.3Very low186 Ų186144.8 Ų144.892%0.91677%0.765SS**  trans-53153.4167.6-66.4-176.713400116.6
260F28.8Very low29.6Very low184 Ų184145.4 Ų145.481%0.80777%0.771SS**  171.9126.9102.6-160.5-116000113.7
261D31.3Very low29.7Very low116 Ų116150 Ų15062%0.6278%0.778SS**  trans59.898.9147.5-115-122.4000123.8
262D28.9Very low29.7Very low111 Ų111149.7 Ų149.759%0.59479%0.787SS**  31.9102.9105.3-121.6-73.8000119.2
263R33.7Very low30Very low240 Ų240152.3 Ų152.391%0.90680%0.8SS**  -141.5101.9128.5-73.1-164.2-179.4155.71.8109.8
264M33.3Very low30.1Very low143 Ų143145.2 Ų145.270%0.70480%0.795SS**  29.7140.2120.7-64.4-77.1174.600116.9
265R32.4Very low30.3Very low231 Ų231145 Ų14587%0.87281%0.806SS**  cis154129.910.5176.2-175.2-169.7177.53.1102.1
266G30.7Very low30.4Very low78 Ų78143.7 Ų143.780%0.80481%0.808SS**  trans168.383.2172.200000117.8
267D31.2Very low30.4Very low136 Ų136142.7 Ų142.773%0.72781%0.812SS**  trans-50.4160.8166.1-168.6-131.5000115.4
268R32.2Very low30.8Very low225 Ų225146 Ų14685%0.84981%0.814SS**  trans80.2104.8160.7-83.3161.7-165-156.6-2.8121
269G29.5Very low31.1Very low84 Ų84148 Ų14887%0.86682%0.817SS**  118.812294.800000117.7
270G32.5Very low31.3Very low74 Ų74142.7 Ų142.776%0.76381%0.81SS**  trans115.19313500000119
271R30.1Very low31.5Very low261 Ų261142.8 Ų142.899%0.98581%0.813SS**  trans40.7127.2135.5-61.7-175-174.7-167.71.8120.2
272G29.6Very low31.6Very low78 Ų78142.2 Ų142.280%0.80482%0.819SS**  trans169.980.7152.100000116.8
273I31.2Very low31.9Very low182 Ų182144.2 Ų144.293%0.93383%0.829SS**  trans0.6130.3154.9-63.9179.9000118.5
274G30.9Very low32.1Very low75 Ų75137.3 Ų137.377%0.77382%0.817SS**  trans158.1101.1143.800000118.1
275G31Very low32.1Very low81 Ų81134.7 Ų134.784%0.83583%0.827SS**  trans87.5113.5132.700000119.8
276H30.9Very low32.8Very low200 Ų200129 Ų12993%0.92682%0.823SS**  trans-54.2148.1168.7-66.7-81.8000115.3
277G28.3Very low33.3Very low75 Ų75129.9 Ų129.977%0.77382%0.817SS**  trans-179.5105.3159.400000113.3
278Y35.9Very low33.3Very low236 Ų236131.8 Ų131.893%0.92582%0.819SS**  trans-62.4126.2170-75.6-97.7000111.3
279S32.3Very low33.6Very low112 Ų112128.8 Ų128.878%0.78381%0.814SS**  trans-160.6135.1148.8-145.90000111.4
280G32.5Very low34.7Very low74 Ų74127.9 Ų127.976%0.76380%0.804SS**  trans-62.1136.1-170.800000114S282G280-S282 PolarHBondContact O-N 3.46Å
281Q33.8Very low36.1Very low186 Ų186124.9 Ų124.987%0.86977%0.774SS**  trans-87.799.7173.2-156.9141.635.200107.7
282S32.3Very low38.5Very low105 Ų105114.3 Ų114.373%0.73474%0.736SS**  trans-107.5106.2158.3540000106.8G280 S284G280-S282 PolarHBondContact O-N 3.46Å; S282-S284 PolarHBondContact O-N 2.96Å
283D35.6Very low41.1Very low153 Ų153113.7 Ų113.782%0.81871%0.711SS**  trans-53.8101.4171.2-76.3-52.9000110.5
284S37.9Very low43.8Very low94 Ų94105 Ų10566%0.65767%0.666SS**  trans-113.892.2156.8-66.30000105.9S282 S286S282-S284 PolarHBondContact O-N 2.96Å; S284-S286 PolarHBondContact O-N 3.49Å; S284-S286 PolarHBondContact O-OG 3Å
285G32.3Very low46.5Very low88 Ų88102.5 Ų102.591%0.90763%0.634SS**  trans-58.888.3174.600000110.5
286S47.1Very low49.4Very low111 Ų11198.6 Ų98.678%0.77660%0.595SS**  trans-117.267.7172.644.80000107.7S284S284-S286 PolarHBondContact O-N 3.49Å; S284-S286 PolarHBondContact O-OG 3Å
287S42.1Very low52.2Low98 Ų9894 Ų9469%0.68557%0.569SS**  trans-115.1110.9162.8-76.30000105.5
288F30.6Very low54.9Low175 Ų17591 Ų9177%0.76854%0.539SS*.SBendtrans153.389.7147-70.5-53000110.7
289H38.5Very low57.3Low163 Ų16380 Ų8076%0.75550%0.496SS*.  trans74.3133.7154.4-47.490.4000119.4G291H289-G291 VanDerWaalsContact C-N 3.28Å; H289-G291 PolarHBondContact O-N 3.14Å
290G52.2Low59.8Low64 Ų6475.1 Ų75.166%0.6646%0.461SS*.  trans-64.785.2167.600000111
291G63.5Low62.1Low12 Ų1278.7 Ų78.712%0.12446%0.456CS..  trans-86.8158.9179.900000113.1H289 F293H289-G291 VanDerWaalsContact C-N 3.28Å; H289-G291 PolarHBondContact O-N 3.14Å; G291-F293 VanDerWaalsContact O-CD2 3.29Å; G291-F293 WeakPolarHBondContact O-CD2 3.27Å
292H79.1Confident64.3Low38 Ų3881 Ų8118%0.17646%0.457CS..EExtended strand (participates in β ladder)trans-94.196.1175.2-56.3-67.6000108.6F338 S340 H341 A344 S366H292-F338 HydrophobicContact CB-CB 4.49Å; H292-F338 PolarHBondContact O-N 2.65Å; H292-S340 WeakPolarHBondContact CD2-CA 3.25Å; H292-H341 PolarHBondContact CD2-N 3.28Å; H292-H341 VanDerWaalsContact CE1-CB 3.47Å; H292-H341 WeakPolarHBondContact CE1-CB 3.37Å; H292-H341 PolarHBondContact CE1-N 2.75Å; H292-H341 WeakPolarHBondContact ND1-CA 3.44Å; H292-H341 WeakPolarHBondContact ND1-CB 3.23Å; H292-H341 PolarHBondContact ND1-N 2.92Å; H292-H341 PolarHBondContact NE2-N 2.81Å; H292-H341 VanDerWaalsContact NE2-N 3.19Å; H292-A344 HydrophobicContact CB-CB 3.98Å; H292-S366 PolarHBondContact ND1-OG 3.2Å
293F84.2Confident66.6Low65 Ų6576.7 Ų76.729%0.28543%0.428SS..EExtended strand (participates in β ladder)trans-98.8147.2-176-60.3-86.7000111.4G291 V336 E337 N365G291-F293 VanDerWaalsContact O-CD2 3.29Å; G291-F293 WeakPolarHBondContact O-CD2 3.27Å; F293-V336 CarbonylContact C-O 3.53Å; F293-V336 WeakPolarHBondContact CA-O 3.4Å; F293-E337 HydrophobicContact CD1-CB 3.76Å; F293-E337 HydrophobicContact CD1-CG 3.93Å; F293-E337 HydrophobicContact CE1-CB 3.6Å; F293-E337 HydrophobicContact CE1-CG 3.47Å; F293-E337 VanDerWaalsContact CE1-CG 3.47Å; F293-E337 HydrophobicContact CZ-CG 3.94Å; F293-N365 HydrophobicContact CB-CB 4.11Å; F293-N365 WeakPolarHBondContact CB-O 3.17Å; F293-N365 PolarHBondContact N-O 2.9Å; F293-N365 CarbonylContact O-C 3.58Å; F293-N365 VanDerWaalsContact O-CA 3.29Å; F293-N365 WeakPolarHBondContact O-CA 3.32Å; F293-N365 PolarHBondContact O-N 3.47Å
294V88.3Confident69Low0 Ų072.1 Ų72.10%041%0.408CS..EExtended strand (participates in β ladder)trans-123.4115.6167.4179.10000107V336 F338 A344 A347 M348 L362 F363 L364V294-V336 PolarHBondContact N-O 3Å; V294-V336 PolarHBondContact O-N 2.88Å; V294-F338 HydrophobicContact CB-CD2 4.32Å; V294-F338 HydrophobicContact CB-CE2 3.86Å; V294-F338 HydrophobicContact CG2-CD2 3.73Å; V294-F338 HydrophobicContact CG2-CE2 3.56Å; V294-A344 HydrophobicContact CG2-CB 3.86Å; V294-A347 HydrophobicContact CG2-CB 4.36Å; V294-M348 HydrophobicContact CG1-SD 4.13Å; V294-L362 HydrophobicContact CG1-CB 4.01Å; V294-L362 HydrophobicContact CG1-CD2 4.13Å; V294-L362 HydrophobicContact CG1-CG 4.48Å; V294-F363 CarbonylContact C-O 3.24Å; V294-F363 WeakPolarHBondContact CA-O 3.49Å; V294-L364 HydrophobicContact CG2-CD1 4.03Å
295H89.1Confident71.3Confident22 Ų2272.8 Ų72.810%0.10240%0.4CS..EExtended strand (participates in β ladder)trans-83.6131.7173.9-179.379.3000109.3R297 A334 D335 L362 F363H295-R297 WeakPolarHBondContact NE2-CG 3.44Å; H295-A334 CarbonylContact C-O 3.11Å; H295-D335 WeakPolarHBondContact CB-OD1 3.42Å; H295-D335 IonicContact CE1-OD1 3.86Å; H295-D335 IonicContact CG-OD1 3.41Å; H295-D335 IonicContact ND1-OD1 2.71Å; H295-D335 PolarHBondContact ND1-OD1 2.8Å; H295-L362 CarbonylContact O-C 3.52Å; H295-L362 WeakPolarHBondContact O-CA 3.46Å; H295-F363 HydrophobicContact CB-CB 4.2Å; H295-F363 AromaticContact CD2-CD2 3.92Å; H295-F363 PolarHBondContact N-O 3.47Å; H295-F363 PolarHBondContact O-N 2.85Å
296M90.4Very high73.8Confident0 Ų070.2 Ų70.20%037%0.374CS..EExtended strand (participates in β ladder)trans-112.5135.9-178.1-51.9-1797300109.7L299 V308 F311 F312 E333 A334 V336 M355 I360 E361 L362M296-L299 HydrophobicContact CB-CD1 4.38Å; M296-L299 HydrophobicContact CE-CD2 3.87Å; M296-V308 HydrophobicContact CE-CG1 4.04Å; M296-V308 HydrophobicContact SD-CG1 3.5Å; M296-V308 VanDerWaalsContact SD-CG1 3.5Å; M296-F311 HydrophobicContact CE-CD1 4.05Å; M296-F311 HydrophobicContact CE-CE1 4.23Å; M296-F312 HydrophobicContact CE-CE2 3.5Å; M296-F312 HydrophobicContact CE-CZ 3.59Å; M296-F312 HydrophobicContact CG-CE2 4.38Å; M296-F312 HydrophobicContact CG-CZ 4.13Å; M296-F312 HydrophobicContact SD-CE2 3.4Å; M296-F312 WeakPolarHBondContact SD-CE2 3.3Å; M296-F312 HydrophobicContact SD-CZ 3.7Å; M296-E333 CarbonylContact O-C 3.58Å; M296-E333 VanDerWaalsContact O-CA 3.27Å; M296-E333 WeakPolarHBondContact O-CA 3.06Å; M296-A334 WeakPolarHBondContact CA-O 3.34Å; M296-A334 HydrophobicContact CB-CB 4.39Å; M296-A334 WeakPolarHBondContact CB-O 3.18Å; M296-A334 PolarHBondContact N-O 2.93Å; M296-A334 PolarHBondContact O-N 3.27Å; M296-A334 HydrophobicContact SD-CB 4.46Å; M296-V336 HydrophobicContact CG-CG2 4.02Å; M296-V336 HydrophobicContact SD-CG2 3.44Å; M296-V336 WeakPolarHBondContact SD-CG2 3.42Å; M296-M355 HydrophobicContact CE-CE 4.29Å; M296-I360 HydrophobicContact CB-CG2 4.46Å; M296-I360 HydrophobicContact CE-CG2 3.71Å; M296-E361 CarbonylContact C-O 3.54Å; M296-E361 WeakPolarHBondContact CA-O 3.47Å; M296-L362 HydrophobicContact CB-CD2 4.11Å; M296-L362 HydrophobicContact CE-CD2 3.92Å; M296-L362 HydrophobicContact CG-CD2 3.61Å; M296-L362 HydrophobicContact SD-CD2 4.48Å
297R89.3Confident75.8Confident103 Ų10367 Ų6739%0.38935%0.349SS..EExtended strand (participates in β ladder)trans-127150.7171.1-59.3-176.6102.4122.8-1.9111.2H295 G332 E333 E361 F363H295-R297 WeakPolarHBondContact NE2-CG 3.44Å; R297-G332 CarbonylContact C-O 3.57Å; R297-E333 HydrophobicContact CG-CG 4.27Å; R297-E333 IonicContact CZ-OE1 3.8Å; R297-E333 IonicContact NE-OE1 3.71Å; R297-E333 PolarHBondContact NE-OE1 2.83Å; R297-E333 IonicContact NH2-OE1 2.65Å; R297-E333 PolarHBondContact NH2-OE1 2.88Å; R297-E333 IonicContact NH2-OE2 3.64Å; R297-E361 PolarHBondContact N-O 2.84Å; R297-E361 PolarHBondContact O-N 2.76Å; R297-F363 HydrophobicContact CB-CE2 4.15Å; R297-F363 HydrophobicContact CG-CD2 4.23Å; R297-F363 HydrophobicContact CG-CE2 3.76Å
298G85.3Confident77.9Confident13 Ų1362.4 Ų62.413%0.13432%0.316CS..  trans91.311.7174.700000114.6G332 R358 I360G298-G332 PolarHBondContact N-O 2.92Å; G298-R358 PolarHBondContact O-NE 2.99Å; G298-I360 WeakPolarHBondContact O-CD1 3.45Å
299L86.8Confident80.5Confident5 Ų555.8 Ų55.83%0.02629%0.294CS..  trans-54.4136.7176-71.6166.9000111M296 F301 A303 V308 G332 A334 M355 I360M296-L299 HydrophobicContact CB-CD1 4.38Å; M296-L299 HydrophobicContact CE-CD2 3.87Å; L299-F301 PolarHBondContact O-N 3.46Å; L299-A303 HydrophobicContact CB-CB 4.48Å; L299-V308 HydrophobicContact CD1-CG2 4.31Å; L299-V308 HydrophobicContact CD2-CG2 3.87Å; L299-G332 PolarHBondContact N-O 2.89Å; L299-A334 HydrophobicContact CD1-CB 3.32Å; L299-M355 HydrophobicContact CD2-CE 3.61Å; L299-M355 HydrophobicContact CD2-SD 3.59Å; L299-M355 VanDerWaalsContact CD2-SD 3.59Å; L299-I360 HydrophobicContact CD2-CD1 4.05Å; L299-I360 HydrophobicContact CG-CD1 4.44Å
300P84.4Confident82.8Confident9 Ų955.2 Ų55.26%0.05829%0.289CS..  trans-53.7139.4169.9-23.430.6000111R302 A303 M355 R358P300-R302 PolarHBondContact O-N 3.06Å; P300-A303 HydrophobicContact CB-CB 4.23Å; P300-A303 HydrophobicContact CG-CB 4.4Å; P300-A303 WeakPolarHBondContact O-CB 3.48Å; P300-A303 PolarHBondContact O-N 3.06Å; P300-M355 HydrophobicContact CG-CG 4.36Å; P300-M355 HydrophobicContact CG-SD 4.38Å; P300-R358 HydrophobicContact CG-CB 4.16Å; P300-R358 HydrophobicContact CG-CG 4.13Å
301F81.1Confident84.5Confident149 Ų14953.3 Ų53.365%0.65426%0.263SS*.THydrogen-bonded Turntrans-62.7-5.3179.4-60.4-62.6000115L299 P330L299-F301 PolarHBondContact O-N 3.46Å; F301-P330 HydrophobicContact CB-CG 4.19Å; F301-P330 HydrophobicContact CD1-CG 4.41Å; F301-P330 VanDerWaalsContact CD1-O 3.3Å; F301-P330 WeakPolarHBondContact CD1-O 3.3Å; F301-P330 WeakPolarHBondContact O-CG 3.24Å
302R80Confident85.6Confident233 Ų23352.8 Ų52.888%0.87926%0.257SS*.THydrogen-bonded Turntrans-112.34.7173.8-67.8-175.7173.4-178.6-2.4112.7P300 S304P300-R302 PolarHBondContact O-N 3.06Å; R302-S304 PolarHBondContact O-N 3.15Å
303A81.3Confident85.7Confident16 Ų1654.4 Ų54.413%0.13227%0.273CS..  trans-68.8129.9179.600000109.7L299 P300 M355L299-A303 HydrophobicContact CB-CB 4.48Å; P300-A303 HydrophobicContact CB-CB 4.23Å; P300-A303 HydrophobicContact CG-CB 4.4Å; P300-A303 WeakPolarHBondContact O-CB 3.48Å; P300-A303 PolarHBondContact O-N 3.06Å; A303-M355 HydrophobicContact CB-SD 4.12Å
304S86.5Confident85.7Confident57 Ų5756.5 Ų56.540%0.39929%0.293SS..  trans-95.9165.6173.8660000110.8R302 G306 D307 V308R302-S304 PolarHBondContact O-N 3.15Å; S304-G306 PolarHBondContact O-N 3.19Å; S304-D307 PolarHBondContact N-OD2 3.36Å; S304-D307 WeakPolarHBondContact O-CB 3.21Å; S304-D307 PolarHBondContact O-N 3.17Å; S304-D307 PolarHBondContact OG-N 3.33Å; S304-D307 PolarHBondContact OG-OD2 2.73Å; S304-V308 PolarHBondContact O-N 3.49Å
305E85.4Confident85.5Confident107 Ų10758 Ų5850%0.530%0.301SS..Hα-helixtrans-52.7-37.4170.8172168.8-158.700112D307 V308 A309 I320E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.43Å; E305-V308 WeakPolarHBondContact O-CB 3.26Å; E305-V308 PolarHBondContact O-N 3.06Å; E305-A309 PolarHBondContact O-N 3.42Å; E305-I320 HydrophobicContact CB-CG2 4.36Å; E305-I320 HydrophobicContact CG-CB 3.76Å; E305-I320 HydrophobicContact CG-CD1 3.67Å; E305-I320 HydrophobicContact CG-CG1 4.3Å; E305-I320 HydrophobicContact CG-CG2 4.03Å
306G85.6Confident85.1Confident35 Ų3563.7 Ų63.736%0.36133%0.332SS..Hα-helixtrans-65.2-31.1176.700000113.8S304 K310S304-G306 PolarHBondContact O-N 3.19Å; G306-K310 VanDerWaalsContact O-CG 3.3Å; G306-K310 WeakPolarHBondContact O-CG 3.46Å; G306-K310 PolarHBondContact O-N 3.42Å
307D87.7Confident84.8Confident44 Ų4465 Ų6524%0.23534%0.34CS..Hα-helixtrans-74.4-35.9175.9-59.3-50.1000111.3S304 E305 K310 F311S304-D307 PolarHBondContact N-OD2 3.36Å; S304-D307 WeakPolarHBondContact O-CB 3.21Å; S304-D307 PolarHBondContact O-N 3.17Å; S304-D307 PolarHBondContact OG-N 3.33Å; S304-D307 PolarHBondContact OG-OD2 2.73Å; E305-D307 VanDerWaalsContact C-N 3.31Å; E305-D307 PolarHBondContact O-N 3.43Å; D307-K310 PolarHBondContact O-N 3.14Å; D307-F311 WeakPolarHBondContact O-CB 3.43Å; D307-F311 PolarHBondContact O-N 2.9Å
308V86.6Confident84.5Confident0 Ų064.8 Ų64.80%035%0.347CS..Hα-helixtrans-63.9-45.1172.2177.40000110.7M296 L299 S304 E305 K310 F311 F312 I320 V336 M355M296-V308 HydrophobicContact CE-CG1 4.04Å; M296-V308 HydrophobicContact SD-CG1 3.5Å; M296-V308 VanDerWaalsContact SD-CG1 3.5Å; L299-V308 HydrophobicContact CD1-CG2 4.31Å; L299-V308 HydrophobicContact CD2-CG2 3.87Å; S304-V308 PolarHBondContact O-N 3.49Å; E305-V308 WeakPolarHBondContact O-CB 3.26Å; E305-V308 PolarHBondContact O-N 3.06Å; V308-K310 PolarHBondContact O-N 3.16Å; V308-F311 WeakPolarHBondContact O-CB 3.13Å; V308-F311 PolarHBondContact O-N 3.24Å; V308-F311 VanDerWaalsContact O-N 3.16Å; V308-F312 HydrophobicContact CG1-CD2 3.95Å; V308-F312 HydrophobicContact CG1-CE2 3.74Å; V308-F312 VanDerWaalsContact O-CD2 3.24Å; V308-F312 WeakPolarHBondContact O-CD2 3.42Å; V308-F312 PolarHBondContact O-N 3.17Å; V308-F312 VanDerWaalsContact O-N 3.14Å; V308-I320 HydrophobicContact CB-CD1 4.16Å; V308-I320 HydrophobicContact CB-CG2 4.11Å; V308-I320 HydrophobicContact CG1-CD1 3.96Å; V308-I320 HydrophobicContact CG1-CG1 4.17Å; V308-I320 HydrophobicContact CG1-CG2 3.86Å; V308-I320 HydrophobicContact CG2-CG2 4.44Å; V308-V336 HydrophobicContact CG1-CG2 3.85Å; V308-M355 HydrophobicContact CG2-CE 4.35Å
309A86.4Confident84.2Confident37 Ų3771.7 Ų71.731%0.30637%0.368SS..Hα-helixtrans-61.2-41.4175.700000112.4E305 F311 F312 S313 I320E305-A309 PolarHBondContact O-N 3.42Å; A309-F311 VanDerWaalsContact C-N 3.34Å; A309-F311 PolarHBondContact O-N 3.43Å; A309-F312 PolarHBondContact O-N 2.76Å; A309-S313 PolarHBondContact O-N 3.38Å; A309-I320 HydrophobicContact CB-CD1 4.01Å
310K86.6Confident84.2Confident151 Ų15172.2 Ų72.266%0.65737%0.371SS*.Hα-helixtrans-63.6-39174-74.6171-171.31680112.3G306 D307 V308 F312 S313G306-K310 VanDerWaalsContact O-CG 3.3Å; G306-K310 WeakPolarHBondContact O-CG 3.46Å; G306-K310 PolarHBondContact O-N 3.42Å; D307-K310 PolarHBondContact O-N 3.14Å; V308-K310 PolarHBondContact O-N 3.16Å; K310-F312 VanDerWaalsContact C-N 3.29Å; K310-F312 PolarHBondContact O-N 2.95Å; K310-S313 WeakPolarHBondContact O-CB 3.46Å; K310-S313 PolarHBondContact O-N 2.98Å
311F86.5Confident84.2Confident24 Ų2477 Ų7711%0.10539%0.393CS..Hα-helixtrans-61.8-38.9178.3177.6-94.9000111.7M296 D307 V308 A309 K350 H353 M355 I360 L362M296-F311 HydrophobicContact CE-CD1 4.05Å; M296-F311 HydrophobicContact CE-CE1 4.23Å; D307-F311 WeakPolarHBondContact O-CB 3.43Å; D307-F311 PolarHBondContact O-N 2.9Å; V308-F311 WeakPolarHBondContact O-CB 3.13Å; V308-F311 PolarHBondContact O-N 3.24Å; V308-F311 VanDerWaalsContact O-N 3.16Å; A309-F311 VanDerWaalsContact C-N 3.34Å; A309-F311 PolarHBondContact O-N 3.43Å; F311-K350 HydrophobicContact CE1-CB 3.98Å; F311-K350 HydrophobicContact CZ-CB 4.05Å; F311-K350 WeakPolarHBondContact O-CD 3.43Å; F311-K350 WeakPolarHBondContact O-CE 3.45Å; F311-K350 PolarHBondContact O-NZ 3.4Å; F311-H353 HydrophobicContact CE2-CB 3.77Å; F311-H353 HydrophobicContact CZ-CB 3.89Å; F311-M355 HydrophobicContact CB-CE 3.39Å; F311-M355 HydrophobicContact CD1-CE 4.18Å; F311-M355 HydrophobicContact CD2-CB 4.19Å; F311-M355 HydrophobicContact CD2-CE 3.86Å; F311-M355 HydrophobicContact CE2-CB 4.42Å; F311-M355 HydrophobicContact CG-CE 3.56Å; F311-I360 HydrophobicContact CE1-CG2 4.39Å; F311-I360 HydrophobicContact CE2-CB 4.44Å; F311-I360 HydrophobicContact CE2-CG1 4.22Å; F311-I360 HydrophobicContact CZ-CB 4Å; F311-I360 HydrophobicContact CZ-CG1 4.24Å; F311-I360 HydrophobicContact CZ-CG2 4.33Å; F311-L362 HydrophobicContact CE1-CD1 4.3Å; F311-L362 HydrophobicContact CE1-CD2 4.47Å
312F86.8Confident84.4Confident0 Ų071.2 Ų71.20%037%0.368CS..Hα-helixtrans-81.6-9176.4-69.9-66000115.2M296 V308 A309 K310 L315 V336 F338 A347 L362M296-F312 HydrophobicContact CE-CE2 3.5Å; M296-F312 HydrophobicContact CE-CZ 3.59Å; M296-F312 HydrophobicContact CG-CE2 4.38Å; M296-F312 HydrophobicContact CG-CZ 4.13Å; M296-F312 HydrophobicContact SD-CE2 3.4Å; M296-F312 WeakPolarHBondContact SD-CE2 3.3Å; M296-F312 HydrophobicContact SD-CZ 3.7Å; V308-F312 HydrophobicContact CG1-CD2 3.95Å; V308-F312 HydrophobicContact CG1-CE2 3.74Å; V308-F312 VanDerWaalsContact O-CD2 3.24Å; V308-F312 WeakPolarHBondContact O-CD2 3.42Å; V308-F312 PolarHBondContact O-N 3.17Å; V308-F312 VanDerWaalsContact O-N 3.14Å; A309-F312 PolarHBondContact O-N 2.76Å; K310-F312 VanDerWaalsContact C-N 3.29Å; K310-F312 PolarHBondContact O-N 2.95Å; F312-L315 HydrophobicContact CB-CB 4.38Å; F312-L315 WeakPolarHBondContact O-CA 3.47Å; F312-L315 VanDerWaalsContact O-CB 3.24Å; F312-L315 WeakPolarHBondContact O-CB 3.21Å; F312-L315 PolarHBondContact O-N 3.28Å; F312-V336 HydrophobicContact CD2-CG1 4.42Å; F312-V336 HydrophobicContact CE2-CB 4.38Å; F312-V336 HydrophobicContact CE2-CG1 4.23Å; F312-V336 HydrophobicContact CE2-CG2 3.97Å; F312-F338 AromaticContact CD1-CZ 3.98Å; F312-F338 HydrophobicContact CD1-CZ 3.98Å; F312-F338 HydrophobicContact CD2-CZ 4.34Å; F312-F338 HydrophobicContact CE1-CZ 4.26Å; F312-F338 HydrophobicContact CG-CZ 4.03Å; F312-A347 HydrophobicContact CD1-CB 3.81Å; F312-A347 HydrophobicContact CE1-CB 3.78Å; F312-L362 HydrophobicContact CE1-CD1 3.78Å; F312-L362 HydrophobicContact CE1-CD2 4.18Å; F312-L362 HydrophobicContact CZ-CD1 4.23Å; F312-L362 HydrophobicContact CZ-CD2 3.77Å
313S82.3Confident84.5Confident72 Ų7262.1 Ų62.150%0.50334%0.337SS..THydrogen-bonded Turntrans-49.8129.1176.6-171.90000111.8A309 K310 K350A309-S313 PolarHBondContact O-N 3.38Å; K310-S313 WeakPolarHBondContact O-CB 3.46Å; K310-S313 PolarHBondContact O-N 2.98Å; S313-K350 PolarHBondContact O-NZ 3.21Å
314P83.3Confident84.6Confident110 Ų11066.7 Ų66.771%0.71436%0.357SS*.THydrogen-bonded Turncis-86.41.213.435.4-37.5000116.5
315L85.4Confident84.2Confident32 Ų3265.1 Ų65.117%0.16835%0.348CS..SBendtrans-70.5139.1-179.7-54.8169.3000110.8F312 P317 F338 A346 A347F312-L315 HydrophobicContact CB-CB 4.38Å; F312-L315 WeakPolarHBondContact O-CA 3.47Å; F312-L315 VanDerWaalsContact O-CB 3.24Å; F312-L315 WeakPolarHBondContact O-CB 3.21Å; F312-L315 PolarHBondContact O-N 3.28Å; L315-P317 VanDerWaalsContact O-CD 3.27Å; L315-P317 WeakPolarHBondContact O-CD 3.24Å; L315-F338 HydrophobicContact CB-CE1 4.08Å; L315-A346 HydrophobicContact CD1-CB 4Å; L315-A346 HydrophobicContact CD2-CB 4.08Å; L315-A347 HydrophobicContact CD1-CB 3.78Å
316N79.6Confident83.7Confident140 Ų14067.2 Ų67.275%0.74937%0.37SS*.  trans-103.5101.9178.7-66.2123.2000110.7
317P84.8Confident83.4Confident28 Ų2870.7 Ų70.718%0.18238%0.381CS..  trans-68142.1172.528-32.8000110.8L315 I320 V336 E337 F338L315-P317 VanDerWaalsContact O-CD 3.27Å; L315-P317 WeakPolarHBondContact O-CD 3.24Å; P317-I320 HydrophobicContact CB-CD1 4.3Å; P317-I320 HydrophobicContact CB-CG1 4.04Å; P317-I320 HydrophobicContact CG-CD1 3.66Å; P317-I320 HydrophobicContact CG-CG1 3.97Å; P317-V336 HydrophobicContact CB-CG1 3.3Å; P317-V336 HydrophobicContact CG-CG1 4.24Å; P317-E337 CarbonylContact C-O 3.58Å; P317-F338 HydrophobicContact CB-CE1 4.17Å; P317-F338 HydrophobicContact CB-CZ 4.41Å
318L81.8Confident82.8Confident99 Ų9971.4 Ų71.452%0.51840%0.398SS..SBendtrans-77.5-39.3177.9-72.6178000112E337 R339L318-E337 PolarHBondContact N-O 3.12Å; L318-R339 VanDerWaalsContact CD1-CA 3.5Å; L318-R339 HydrophobicContact CD1-CB 3.81Å; L318-R339 HydrophobicContact CD2-CB 4.41Å; L318-R339 HydrophobicContact CG-CB 4.12Å
319R78.9Confident82.4Confident157 Ų15777.9 Ų77.959%0.59243%0.426SS*.EExtended strand (participates in β ladder)trans-148.7133.3-177.8-169.9-178.9-67.9143.3-9109.1V336 E337R319-V336 WeakPolarHBondContact O-CA 3.4Å; R319-E337 HydrophobicContact CB-CB 3.97Å; R319-E337 IonicContact CZ-OE2 3.47Å; R319-E337 IonicContact NE-OE2 3.84Å; R319-E337 IonicContact NH1-OE2 2.76Å; R319-E337 PolarHBondContact NH1-OE2 2.8Å; R319-E337 PolarHBondContact O-N 3.36Å
320I86.8Confident82.1Confident17 Ų1777.9 Ų77.99%0.08742%0.423CS..EExtended strand (participates in β ladder)trans-118.7120.5173.2-62.7160.3000106.8E305 V308 A309 P317 I322 V336E305-I320 HydrophobicContact CB-CG2 4.36Å; E305-I320 HydrophobicContact CG-CB 3.76Å; E305-I320 HydrophobicContact CG-CD1 3.67Å; E305-I320 HydrophobicContact CG-CG1 4.3Å; E305-I320 HydrophobicContact CG-CG2 4.03Å; V308-I320 HydrophobicContact CB-CD1 4.16Å; V308-I320 HydrophobicContact CB-CG2 4.11Å; V308-I320 HydrophobicContact CG1-CD1 3.96Å; V308-I320 HydrophobicContact CG1-CG1 4.17Å; V308-I320 HydrophobicContact CG1-CG2 3.86Å; V308-I320 HydrophobicContact CG2-CG2 4.44Å; A309-I320 HydrophobicContact CB-CD1 4.01Å; P317-I320 HydrophobicContact CB-CD1 4.3Å; P317-I320 HydrophobicContact CB-CG1 4.04Å; P317-I320 HydrophobicContact CG-CD1 3.66Å; P317-I320 HydrophobicContact CG-CG1 3.97Å; I320-I322 HydrophobicContact CG2-CG1 4.28Å; I320-V336 HydrophobicContact CG1-CG1 4.04Å; I320-V336 HydrophobicContact CG1-CG2 4.12Å; I320-V336 HydrophobicContact CG2-CG2 4.23Å
321H84.9Confident81.8Confident109 Ų10973.3 Ų73.351%0.50541%0.408SS..EExtended strand (participates in β ladder)trans-113113175.4-171.869.8000108.9D323 A334 D335H321-D323 IonicContact CD2-OD1 3.45Å; H321-D323 PolarHBondContact CD2-OD1 3.36Å; H321-D323 IonicContact NE2-OD1 3.79Å; H321-A334 CarbonylContact O-C 3.38Å; H321-A334 WeakPolarHBondContact O-CA 3.24Å; H321-A334 VanDerWaalsContact O-CB 3.25Å; H321-A334 WeakPolarHBondContact O-CB 3.47Å; H321-D335 PolarHBondContact N-O 3.05Å; H321-D335 PolarHBondContact O-N 3.37Å
322I86.4Confident81.6Confident28 Ų2872.4 Ų72.414%0.14441%0.405CS..EExtended strand (participates in β ladder)trans-91.6122.8174.7-59.1175.9000108.1I320 M324 A334I320-I322 HydrophobicContact CG2-CG1 4.28Å; I322-M324 HydrophobicContact CB-CE 4.42Å; I322-M324 HydrophobicContact CG2-CE 4.09Å; I322-M324 PolarHBondContact O-N 3.16Å; I322-A334 HydrophobicContact CB-CB 4.41Å; I322-A334 HydrophobicContact CG1-CB 4.05Å
323D81.9Confident81.7Confident41 Ų4175 Ų7522%0.21942%0.417CS..EExtended strand (participates in β ladder)trans-68.8124179.3-70.4-33.8000110H321 T331 E333H321-D323 IonicContact CD2-OD1 3.45Å; H321-D323 PolarHBondContact CD2-OD1 3.36Å; H321-D323 IonicContact NE2-OD1 3.79Å; D323-T331 VanDerWaalsContact CB-OG1 3.32Å; D323-T331 WeakPolarHBondContact CB-OG1 3.46Å; D323-T331 PolarHBondContact O-N 3.49Å; D323-T331 PolarHBondContact O-OG1 3.27Å; D323-E333 HydrophobicContact CB-CB 4.21Å; D323-E333 PolarHBondContact N-O 2.95Å
324M82.7Confident82Confident113 Ų11371.6 Ų71.656%0.55739%0.393SS*.EExtended strand (participates in β ladder)trans-108.9128.7176.6-63.4-70.2179.200108.4I322 P330I322-M324 HydrophobicContact CB-CE 4.42Å; I322-M324 HydrophobicContact CG2-CE 4.09Å; I322-M324 PolarHBondContact O-N 3.16Å; M324-P330 HydrophobicContact CE-CB 4.42Å; M324-P330 VanDerWaalsContact SD-CA 3.59Å; M324-P330 HydrophobicContact SD-CB 3.91Å
325A78.3Confident82.2Confident24 Ų2468.9 Ų68.920%0.19837%0.373CS..  trans-64157.5172.600000110.1N327 G328 K329 T331A325-N327 WeakPolarHBondContact CB-OD1 3.39Å; A325-N327 PolarHBondContact O-N 3.12Å; A325-G328 WeakPolarHBondContact O-CA 3.07Å; A325-G328 PolarHBondContact O-N 3.37Å; A325-K329 WeakPolarHBondContact CB-O 3.38Å; A325-K329 PolarHBondContact N-O 2.89Å; A325-T331 HydrophobicContact CB-CG2 3.83Å
326P74.1Confident82.4Confident151 Ų15167.4 Ų67.498%0.98137%0.365SS*.THydrogen-bonded Turntrans-58.2-14.6179.9-24.132.9000114.8G328P326-G328 VanDerWaalsContact C-N 3.31Å
327N79Confident82.7Confident108 Ų10861.9 Ų61.958%0.57834%0.335SS*.THydrogen-bonded Turntrans-89.39.4174.362.810.5000113.4A325 K329A325-N327 WeakPolarHBondContact CB-OD1 3.39Å; A325-N327 PolarHBondContact O-N 3.12Å; N327-K329 VanDerWaalsContact C-N 3.25Å; N327-K329 PolarHBondContact O-N 3.28Å; N327-K329 VanDerWaalsContact OD1-CB 3.24Å; N327-K329 WeakPolarHBondContact OD1-CB 3.33Å; N327-K329 WeakPolarHBondContact OD1-CG 3.19Å; N327-K329 PolarHBondContact OD1-N 3.39Å
328G76.1Confident82.8Confident58 Ų5860.7 Ų60.760%0.59833%0.327SS*.SBendtrans72.510-177.900000114.7A325 P326A325-G328 WeakPolarHBondContact O-CA 3.07Å; A325-G328 PolarHBondContact O-N 3.37Å; P326-G328 VanDerWaalsContact C-N 3.31Å
329K77.9Confident82.8Confident137 Ų13765.3 Ų65.360%0.59634%0.337SS*.  trans-91139.6177.8-63.2-174.5177.3-178.30110.8A325 N327 T331A325-K329 WeakPolarHBondContact CB-O 3.38Å; A325-K329 PolarHBondContact N-O 2.89Å; N327-K329 VanDerWaalsContact C-N 3.25Å; N327-K329 PolarHBondContact O-N 3.28Å; N327-K329 VanDerWaalsContact OD1-CB 3.24Å; N327-K329 WeakPolarHBondContact OD1-CB 3.33Å; N327-K329 WeakPolarHBondContact OD1-CG 3.19Å; N327-K329 PolarHBondContact OD1-N 3.39Å; K329-T331 PolarHBondContact O-N 2.82Å
330P80Confident83.1Confident36 Ų3659.4 Ų59.423%0.23432%0.32CS..EExtended strand (participates in β ladder)trans-64.2130.3173.223.8-29.1000109.6F301 M324 G332F301-P330 HydrophobicContact CB-CG 4.19Å; F301-P330 HydrophobicContact CD1-CG 4.41Å; F301-P330 VanDerWaalsContact CD1-O 3.3Å; F301-P330 WeakPolarHBondContact CD1-O 3.3Å; F301-P330 WeakPolarHBondContact O-CG 3.24Å; M324-P330 HydrophobicContact CE-CB 4.42Å; M324-P330 VanDerWaalsContact SD-CA 3.59Å; M324-P330 HydrophobicContact SD-CB 3.91Å; P330-G332 PolarHBondContact O-N 2.76Å
331T80.3Confident82.9Confident56 Ų5661.5 Ų61.534%0.34433%0.329SS..EExtended strand (participates in β ladder)trans-76.8-14.5178.857.80000112D323 A325 K329 E333D323-T331 VanDerWaalsContact CB-OG1 3.32Å; D323-T331 WeakPolarHBondContact CB-OG1 3.46Å; D323-T331 PolarHBondContact O-N 3.49Å; D323-T331 PolarHBondContact O-OG1 3.27Å; A325-T331 HydrophobicContact CB-CG2 3.83Å; K329-T331 PolarHBondContact O-N 2.82Å; T331-E333 VanDerWaalsContact C-N 3.29Å; T331-E333 PolarHBondContact OG1-N 2.7Å
332G82.6Confident82.9Confident4 Ų463.7 Ų63.74%0.04134%0.34CS..EExtended strand (participates in β ladder)trans79.716-171.100000112.5R297 G298 L299 P330R297-G332 CarbonylContact C-O 3.57Å; G298-G332 PolarHBondContact N-O 2.92Å; L299-G332 PolarHBondContact N-O 2.89Å; P330-G332 PolarHBondContact O-N 2.76Å
333E88.3Confident82.8Confident55 Ų5565 Ų6526%0.25735%0.347SS..EExtended strand (participates in β ladder)trans-115.4144.7175.9-54.7-176.1168.700108.9M296 R297 D323 T331M296-E333 CarbonylContact O-C 3.58Å; M296-E333 VanDerWaalsContact O-CA 3.27Å; M296-E333 WeakPolarHBondContact O-CA 3.06Å; R297-E333 HydrophobicContact CG-CG 4.27Å; R297-E333 IonicContact CZ-OE1 3.8Å; R297-E333 IonicContact NE-OE1 3.71Å; R297-E333 PolarHBondContact NE-OE1 2.83Å; R297-E333 IonicContact NH2-OE1 2.65Å; R297-E333 PolarHBondContact NH2-OE1 2.88Å; R297-E333 IonicContact NH2-OE2 3.64Å; D323-E333 HydrophobicContact CB-CB 4.21Å; D323-E333 PolarHBondContact N-O 2.95Å; T331-E333 VanDerWaalsContact C-N 3.29Å; T331-E333 PolarHBondContact OG1-N 2.7Å
334A88.8Confident83Confident0 Ų063 Ų630%034%0.337CS..EExtended strand (participates in β ladder)trans-152145.9175.600000111.4H295 M296 L299 H321 I322H295-A334 CarbonylContact C-O 3.11Å; M296-A334 WeakPolarHBondContact CA-O 3.34Å; M296-A334 HydrophobicContact CB-CB 4.39Å; M296-A334 WeakPolarHBondContact CB-O 3.18Å; M296-A334 PolarHBondContact N-O 2.93Å; M296-A334 PolarHBondContact O-N 3.27Å; M296-A334 HydrophobicContact SD-CB 4.46Å; L299-A334 HydrophobicContact CD1-CB 3.32Å; H321-A334 CarbonylContact O-C 3.38Å; H321-A334 WeakPolarHBondContact O-CA 3.24Å; H321-A334 VanDerWaalsContact O-CB 3.25Å; H321-A334 WeakPolarHBondContact O-CB 3.47Å; I322-A334 HydrophobicContact CB-CB 4.41Å; I322-A334 HydrophobicContact CG1-CB 4.05Å
335D88Confident83.1Confident54 Ų5460.7 Ų60.729%0.28933%0.329SS..EExtended strand (participates in β ladder)trans-103.3129.6170.8-71.8-40.5000110.3H295 H321H295-D335 WeakPolarHBondContact CB-OD1 3.42Å; H295-D335 IonicContact CE1-OD1 3.86Å; H295-D335 IonicContact CG-OD1 3.41Å; H295-D335 IonicContact ND1-OD1 2.71Å; H295-D335 PolarHBondContact ND1-OD1 2.8Å; H321-D335 PolarHBondContact N-O 3.05Å; H321-D335 PolarHBondContact O-N 3.37Å
336V89.5Confident83.5Confident0 Ų061.5 Ų61.50%034%0.336CS..EExtended strand (participates in β ladder)trans-119.4120.3-179.9-176.50000109.9F293 V294 M296 V308 F312 P317 R319 I320 F338F293-V336 CarbonylContact C-O 3.53Å; F293-V336 WeakPolarHBondContact CA-O 3.4Å; V294-V336 PolarHBondContact N-O 3Å; V294-V336 PolarHBondContact O-N 2.88Å; M296-V336 HydrophobicContact CG-CG2 4.02Å; M296-V336 HydrophobicContact SD-CG2 3.44Å; M296-V336 WeakPolarHBondContact SD-CG2 3.42Å; V308-V336 HydrophobicContact CG1-CG2 3.85Å; F312-V336 HydrophobicContact CD2-CG1 4.42Å; F312-V336 HydrophobicContact CE2-CB 4.38Å; F312-V336 HydrophobicContact CE2-CG1 4.23Å; F312-V336 HydrophobicContact CE2-CG2 3.97Å; P317-V336 HydrophobicContact CB-CG1 3.3Å; P317-V336 HydrophobicContact CG-CG1 4.24Å; R319-V336 WeakPolarHBondContact O-CA 3.4Å; I320-V336 HydrophobicContact CG1-CG1 4.04Å; I320-V336 HydrophobicContact CG1-CG2 4.12Å; I320-V336 HydrophobicContact CG2-CG2 4.23Å; V336-F338 HydrophobicContact CB-CE2 4.13Å; V336-F338 HydrophobicContact CG1-CD2 4.28Å; V336-F338 HydrophobicContact CG1-CE2 3.6Å; V336-F338 HydrophobicContact CG1-CZ 3.75Å
337E86.8Confident84.1Confident25 Ų2554.3 Ų54.312%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-92.5130.3179-169.1176.2171.700110.4F293 P317 L318 R319F293-E337 HydrophobicContact CD1-CB 3.76Å; F293-E337 HydrophobicContact CD1-CG 3.93Å; F293-E337 HydrophobicContact CE1-CB 3.6Å; F293-E337 HydrophobicContact CE1-CG 3.47Å; F293-E337 VanDerWaalsContact CE1-CG 3.47Å; F293-E337 HydrophobicContact CZ-CG 3.94Å; P317-E337 CarbonylContact C-O 3.58Å; L318-E337 PolarHBondContact N-O 3.12Å; R319-E337 HydrophobicContact CB-CB 3.97Å; R319-E337 IonicContact CZ-OE2 3.47Å; R319-E337 IonicContact NE-OE2 3.84Å; R319-E337 IonicContact NH1-OE2 2.76Å; R319-E337 PolarHBondContact NH1-OE2 2.8Å; R319-E337 PolarHBondContact O-N 3.36Å
338F86.3Confident84.4Confident3 Ų351.6 Ų51.61%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-111.6154174.9-69.2-86000111.2H292 V294 F312 L315 P317 V336 S340 D343 A344 A347H292-F338 HydrophobicContact CB-CB 4.49Å; H292-F338 PolarHBondContact O-N 2.65Å; V294-F338 HydrophobicContact CB-CD2 4.32Å; V294-F338 HydrophobicContact CB-CE2 3.86Å; V294-F338 HydrophobicContact CG2-CD2 3.73Å; V294-F338 HydrophobicContact CG2-CE2 3.56Å; F312-F338 AromaticContact CD1-CZ 3.98Å; F312-F338 HydrophobicContact CD1-CZ 3.98Å; F312-F338 HydrophobicContact CD2-CZ 4.34Å; F312-F338 HydrophobicContact CE1-CZ 4.26Å; F312-F338 HydrophobicContact CG-CZ 4.03Å; L315-F338 HydrophobicContact CB-CE1 4.08Å; P317-F338 HydrophobicContact CB-CE1 4.17Å; P317-F338 HydrophobicContact CB-CZ 4.41Å; V336-F338 HydrophobicContact CB-CE2 4.13Å; V336-F338 HydrophobicContact CG1-CD2 4.28Å; V336-F338 HydrophobicContact CG1-CE2 3.6Å; V336-F338 HydrophobicContact CG1-CZ 3.75Å; F338-S340 VanDerWaalsContact C-N 3.31Å; F338-S340 PolarHBondContact O-N 2.8Å; F338-D343 HydrophobicContact CB-CB 4.05Å; F338-D343 HydrophobicContact CD1-CB 3.98Å; F338-D343 HydrophobicContact CG-CB 4.3Å; F338-A344 HydrophobicContact CB-CB 4.19Å; F338-A344 HydrophobicContact CD2-CB 4.09Å; F338-A344 HydrophobicContact CG-CB 4.35Å; F338-A347 HydrophobicContact CE1-CB 4.21Å; F338-A347 HydrophobicContact CE2-CB 3.86Å; F338-A347 HydrophobicContact CZ-CB 3.59Å
339R82Confident84.9Confident195 Ų19553.4 Ų53.474%0.73628%0.277SS*.SBendtrans-67.3-31.7179.8179.7179.1-88.2-176-4.9112.7L318L318-R339 VanDerWaalsContact CD1-CA 3.5Å; L318-R339 HydrophobicContact CD1-CB 3.81Å; L318-R339 HydrophobicContact CD2-CB 4.41Å; L318-R339 HydrophobicContact CG-CB 4.12Å
340S83.9Confident85Confident33 Ų3349.5 Ų49.523%0.23126%0.26CS..SBendtrans-136.6155.7-17674.60000111.9H292 F338 E342 D343 A344H292-S340 WeakPolarHBondContact CD2-CA 3.25Å; F338-S340 VanDerWaalsContact C-N 3.31Å; F338-S340 PolarHBondContact O-N 2.8Å; S340-E342 PolarHBondContact O-N 3.37Å; S340-D343 PolarHBondContact O-N 2.86Å; S340-D343 WeakPolarHBondContact OG-CB 3.42Å; S340-D343 PolarHBondContact OG-N 3.02Å; S340-D343 PolarHBondContact OG-OD2 3.34Å; S340-A344 PolarHBondContact O-N 3.46Å; S340-A344 VanDerWaalsContact O-N 3.16Å
341H82.3Confident85.4Confident61 Ų6150.1 Ų50.128%0.28226%0.261SS..Hα-helixtrans-60-38172.6178.951.9000110.6H292 A344 V345 S366H292-H341 PolarHBondContact CD2-N 3.28Å; H292-H341 VanDerWaalsContact CE1-CB 3.47Å; H292-H341 WeakPolarHBondContact CE1-CB 3.37Å; H292-H341 PolarHBondContact CE1-N 2.75Å; H292-H341 WeakPolarHBondContact ND1-CA 3.44Å; H292-H341 WeakPolarHBondContact ND1-CB 3.23Å; H292-H341 PolarHBondContact ND1-N 2.92Å; H292-H341 PolarHBondContact NE2-N 2.81Å; H292-H341 VanDerWaalsContact NE2-N 3.19Å; H341-A344 PolarHBondContact O-N 3.16Å; H341-V345 VanDerWaalsContact CE1-CG2 3.45Å; H341-V345 WeakPolarHBondContact CE1-CG2 3.32Å; H341-V345 VanDerWaalsContact O-CG2 3.32Å; H341-V345 WeakPolarHBondContact O-CG2 3.27Å; H341-V345 PolarHBondContact O-N 3.22Å; H341-S366 WeakPolarHBondContact ND1-CB 3.46Å; H341-S366 PolarHBondContact ND1-OG 2.82Å
342E85.3Confident85.5Confident156 Ų15654 Ų5473%0.72927%0.273SS*.Hα-helixtrans-60.2-45.3179-174.6175.2-174.500111.3S340 A344 V345 A346S340-E342 PolarHBondContact O-N 3.37Å; E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 3.3Å; E342-V345 PolarHBondContact O-N 2.77Å; E342-A346 WeakPolarHBondContact O-CB 3.44Å; E342-A346 PolarHBondContact O-N 2.86Å
343D85.4Confident85.7Confident54 Ų5458.8 Ų58.829%0.28929%0.294SS..Hα-helixtrans-64.1-39.5175.8-65.1-40.4000111.8F338 S340 A346 A347F338-D343 HydrophobicContact CB-CB 4.05Å; F338-D343 HydrophobicContact CD1-CB 3.98Å; F338-D343 HydrophobicContact CG-CB 4.3Å; S340-D343 PolarHBondContact O-N 2.86Å; S340-D343 WeakPolarHBondContact OG-CB 3.42Å; S340-D343 PolarHBondContact OG-N 3.02Å; S340-D343 PolarHBondContact OG-OD2 3.34Å; D343-A346 PolarHBondContact O-N 2.71Å; D343-A347 WeakPolarHBondContact O-CB 3.49Å; D343-A347 PolarHBondContact O-N 3.45Å
344A85.7Confident85.4Confident0 Ų061.6 Ų61.60%031%0.311CS..Hα-helixtrans-66.3-38.717700000111.9H292 V294 F338 S340 H341 E342 A347 M348 L364H292-A344 HydrophobicContact CB-CB 3.98Å; V294-A344 HydrophobicContact CG2-CB 3.86Å; F338-A344 HydrophobicContact CB-CB 4.19Å; F338-A344 HydrophobicContact CD2-CB 4.09Å; F338-A344 HydrophobicContact CG-CB 4.35Å; S340-A344 PolarHBondContact O-N 3.46Å; S340-A344 VanDerWaalsContact O-N 3.16Å; H341-A344 PolarHBondContact O-N 3.16Å; E342-A344 VanDerWaalsContact C-N 3.34Å; E342-A344 PolarHBondContact O-N 3.3Å; A344-A347 WeakPolarHBondContact O-CB 3.16Å; A344-A347 PolarHBondContact O-N 3.33Å; A344-M348 WeakPolarHBondContact O-CG 3.49Å; A344-M348 PolarHBondContact O-N 2.89Å; A344-L364 HydrophobicContact CB-CD1 3.54Å
345V85.4Confident85Confident65 Ų6562.2 Ų62.239%0.39431%0.314SS..Hα-helixtrans-69.1-40.9173.8172.90000110.9H341 E342 A347 M348 L364H341-V345 VanDerWaalsContact CE1-CG2 3.45Å; H341-V345 WeakPolarHBondContact CE1-CG2 3.32Å; H341-V345 VanDerWaalsContact O-CG2 3.32Å; H341-V345 WeakPolarHBondContact O-CG2 3.27Å; H341-V345 PolarHBondContact O-N 3.22Å; E342-V345 PolarHBondContact O-N 2.77Å; V345-A347 PolarHBondContact O-N 2.79Å; V345-M348 WeakPolarHBondContact O-CB 3.08Å; V345-M348 PolarHBondContact O-N 2.78Å; V345-M348 VanDerWaalsContact O-N 3.12Å; V345-L364 HydrophobicContact CG2-CD2 3.77Å
346A86.1Confident84.6Confident41 Ų4165.4 Ų65.434%0.33933%0.327SS..Hα-helixtrans-60-39.2174.200000111L315 E342 D343 M348 S349L315-A346 HydrophobicContact CD1-CB 4Å; L315-A346 HydrophobicContact CD2-CB 4.08Å; E342-A346 WeakPolarHBondContact O-CB 3.44Å; E342-A346 PolarHBondContact O-N 2.86Å; D343-A346 PolarHBondContact O-N 2.71Å; A346-M348 VanDerWaalsContact C-N 3.28Å; A346-M348 PolarHBondContact O-N 2.77Å; A346-S349 VanDerWaalsContact O-CB 3.26Å; A346-S349 WeakPolarHBondContact O-CB 3.27Å; A346-S349 PolarHBondContact O-N 3.11Å; A346-S349 VanDerWaalsContact O-N 3.12Å; A346-S349 PolarHBondContact O-OG 2.95Å
347A86.6Confident84.2Confident0 Ų072.7 Ų72.70%036%0.361CS..Hα-helixtrans-61.3-34.2175.800000112.7V294 F312 L315 F338 D343 A344 V345 S349 K350 L362V294-A347 HydrophobicContact CG2-CB 4.36Å; F312-A347 HydrophobicContact CD1-CB 3.81Å; F312-A347 HydrophobicContact CE1-CB 3.78Å; L315-A347 HydrophobicContact CD1-CB 3.78Å; F338-A347 HydrophobicContact CE1-CB 4.21Å; F338-A347 HydrophobicContact CE2-CB 3.86Å; F338-A347 HydrophobicContact CZ-CB 3.59Å; D343-A347 WeakPolarHBondContact O-CB 3.49Å; D343-A347 PolarHBondContact O-N 3.45Å; A344-A347 WeakPolarHBondContact O-CB 3.16Å; A344-A347 PolarHBondContact O-N 3.33Å; V345-A347 PolarHBondContact O-N 2.79Å; A347-S349 PolarHBondContact O-N 3.01Å; A347-S349 VanDerWaalsContact O-N 3.16Å; A347-K350 WeakPolarHBondContact O-CB 3.37Å; A347-K350 PolarHBondContact O-N 3.2Å; A347-L362 WeakPolarHBondContact O-CD1 3.29Å
348M85.9Confident84Confident50 Ų5076.2 Ų76.225%0.24637%0.373CS..Hα-helixtrans-62.4-20.8176.1-64.1-60.5-65.300113.6V294 A344 V345 A346 K350 D351 L362 L364V294-M348 HydrophobicContact CG1-SD 4.13Å; A344-M348 WeakPolarHBondContact O-CG 3.49Å; A344-M348 PolarHBondContact O-N 2.89Å; V345-M348 WeakPolarHBondContact O-CB 3.08Å; V345-M348 PolarHBondContact O-N 2.78Å; V345-M348 VanDerWaalsContact O-N 3.12Å; A346-M348 VanDerWaalsContact C-N 3.28Å; A346-M348 PolarHBondContact O-N 2.77Å; M348-K350 PolarHBondContact O-N 2.73Å; M348-K350 VanDerWaalsContact O-N 3.14Å; M348-D351 WeakPolarHBondContact O-CB 3.39Å; M348-D351 PolarHBondContact O-N 3.19Å; M348-L362 HydrophobicContact CE-CB 4.21Å; M348-L362 VanDerWaalsContact CE-O 3.23Å; M348-L362 WeakPolarHBondContact CE-O 3.39Å; M348-L362 HydrophobicContact SD-CB 3.81Å; M348-L364 HydrophobicContact CE-CB 4.12Å; M348-L364 HydrophobicContact CG-CB 3.89Å; M348-L364 HydrophobicContact CG-CD1 4.18Å; M348-L364 HydrophobicContact CG-CD2 4.4Å; M348-L364 HydrophobicContact CG-CG 4.39Å; M348-L364 HydrophobicContact SD-CB 3.7Å; M348-L364 PolarHBondContact SD-N 2.91Å
349S85.1Confident84Confident96 Ų9682 Ų8267%0.67140%0.396SS*.THydrogen-bonded Turntrans-63.2-18.3173.7-57.20000112.5A346 A347A346-S349 VanDerWaalsContact O-CB 3.26Å; A346-S349 WeakPolarHBondContact O-CB 3.27Å; A346-S349 PolarHBondContact O-N 3.11Å; A346-S349 VanDerWaalsContact O-N 3.12Å; A346-S349 PolarHBondContact O-OG 2.95Å; A347-S349 PolarHBondContact O-N 3.01Å; A347-S349 VanDerWaalsContact O-N 3.16Å
350K81.7Confident84.3Confident56 Ų5672.7 Ų72.724%0.24336%0.361CS..THydrogen-bonded Turntrans-91.47.8174.3-58.9-161.6178.6-146.50113.6F311 S313 A347 M348 K352 H353 L362F311-K350 HydrophobicContact CE1-CB 3.98Å; F311-K350 HydrophobicContact CZ-CB 4.05Å; F311-K350 WeakPolarHBondContact O-CD 3.43Å; F311-K350 WeakPolarHBondContact O-CE 3.45Å; F311-K350 PolarHBondContact O-NZ 3.4Å; S313-K350 PolarHBondContact O-NZ 3.21Å; A347-K350 WeakPolarHBondContact O-CB 3.37Å; A347-K350 PolarHBondContact O-N 3.2Å; M348-K350 PolarHBondContact O-N 2.73Å; M348-K350 VanDerWaalsContact O-N 3.14Å; K350-K352 PolarHBondContact O-N 2.77Å; K350-H353 VanDerWaalsContact O-CB 3.32Å; K350-H353 WeakPolarHBondContact O-CB 3.32Å; K350-H353 PolarHBondContact O-N 3.46Å; K350-H353 PolarHBondContact O-ND1 2.82Å; K350-L362 HydrophobicContact CB-CD1 4.2Å
351D86.8Confident84.5Confident49 Ų4974.6 Ų74.626%0.26237%0.366SS..THydrogen-bonded Turntrans-55.6140.7173.3-177.547.6000110.5M348 H353 E361 L362M348-D351 WeakPolarHBondContact O-CB 3.39Å; M348-D351 PolarHBondContact O-N 3.19Å; D351-H353 PolarHBondContact O-N 3.42Å; D351-H353 VanDerWaalsContact O-N 3.1Å; D351-H353 PolarHBondContact O-ND1 2.82Å; D351-E361 WeakPolarHBondContact OD1-CA 3.45Å; D351-L362 HydrophobicContact CB-CB 4.31Å; D351-L362 PolarHBondContact OD1-N 3.38Å
352K84Confident84.9Confident138 Ų13871.9 Ų71.960%0.635%0.354SS*.THydrogen-bonded Turntrans60.114.7-177.7-61.1167.9-171.2178.80115.3K350 I360K350-K352 PolarHBondContact O-N 2.77Å; K352-I360 WeakPolarHBondContact CA-O 3.45Å; K352-I360 PolarHBondContact N-O 3.07Å
353H85.6Confident85Confident104 Ų10468.6 Ų68.648%0.48134%0.337SS..  trans-74.6150.6168.8-79.363.9000111.1F311 K350 D351 I360F311-H353 HydrophobicContact CE2-CB 3.77Å; F311-H353 HydrophobicContact CZ-CB 3.89Å; K350-H353 VanDerWaalsContact O-CB 3.32Å; K350-H353 WeakPolarHBondContact O-CB 3.32Å; K350-H353 PolarHBondContact O-N 3.46Å; K350-H353 PolarHBondContact O-ND1 2.82Å; D351-H353 PolarHBondContact O-N 3.42Å; D351-H353 VanDerWaalsContact O-N 3.1Å; D351-H353 PolarHBondContact O-ND1 2.82Å; H353-I360 PolarHBondContact O-N 3.2Å
354N83.2Confident84.9Confident114 Ų11469 Ų6961%0.6134%0.339SS*.EExtended strand (participates in β ladder)trans-83.7124179.8-66.2-16.3000110.6R358 Y359N354-R358 CarbonylContact C-O 3.59Å; N354-R358 VanDerWaalsContact CA-O 3.27Å; N354-R358 WeakPolarHBondContact CA-O 3.29Å; N354-Y359 WeakPolarHBondContact OD1-CA 3.38Å; N354-Y359 VanDerWaalsContact OD1-CB 3.29Å; N354-Y359 WeakPolarHBondContact OD1-CB 3.3Å
355M80.1Confident84.4Confident13 Ų1373.3 Ų73.36%0.06436%0.362CS..EExtended strand (participates in β ladder)trans-98.4107161-171-173.7-75.100107.5M296 L299 P300 A303 V308 F311 H357 R358 I360M296-M355 HydrophobicContact CE-CE 4.29Å; L299-M355 HydrophobicContact CD2-CE 3.61Å; L299-M355 HydrophobicContact CD2-SD 3.59Å; L299-M355 VanDerWaalsContact CD2-SD 3.59Å; P300-M355 HydrophobicContact CG-CG 4.36Å; P300-M355 HydrophobicContact CG-SD 4.38Å; A303-M355 HydrophobicContact CB-SD 4.12Å; V308-M355 HydrophobicContact CG2-CE 4.35Å; F311-M355 HydrophobicContact CB-CE 3.39Å; F311-M355 HydrophobicContact CD1-CE 4.18Å; F311-M355 HydrophobicContact CD2-CB 4.19Å; F311-M355 HydrophobicContact CD2-CE 3.86Å; F311-M355 HydrophobicContact CE2-CB 4.42Å; F311-M355 HydrophobicContact CG-CE 3.56Å; M355-H357 PolarHBondContact O-N 2.74Å; M355-R358 PolarHBondContact N-O 3.07Å; M355-R358 PolarHBondContact O-N 2.77Å; M355-I360 HydrophobicContact CB-CD1 3.78Å; M355-I360 HydrophobicContact CB-CG1 3.49Å; M355-I360 VanDerWaalsContact CB-CG1 3.49Å; M355-I360 HydrophobicContact CE-CG1 4.39Å; M355-I360 HydrophobicContact SD-CD1 4.46Å
356Q79.8Confident83.4Confident121 Ų12171.3 Ų71.357%0.56535%0.35SS*.THydrogen-bonded Turntrans59.1-116.6-170.6-52.8174.4-8.700111.5
357H80.1Confident82Confident153 Ų15373.1 Ų73.171%0.70836%0.357SS*.THydrogen-bonded Turntrans-100.810.3-178.563.6-81.5000112.9M355M355-H357 PolarHBondContact O-N 2.74Å
358R82.2Confident80.3Confident98 Ų9876.5 Ų76.537%0.3739%0.385SS..EExtended strand (participates in β ladder)trans-122.4131.3-176.2-67-75.6-63.6170.52.1109.5G298 P300 N354 M355G298-R358 PolarHBondContact O-NE 2.99Å; P300-R358 HydrophobicContact CG-CB 4.16Å; P300-R358 HydrophobicContact CG-CG 4.13Å; N354-R358 CarbonylContact C-O 3.59Å; N354-R358 VanDerWaalsContact CA-O 3.27Å; N354-R358 WeakPolarHBondContact CA-O 3.29Å; M355-R358 PolarHBondContact N-O 3.07Å; M355-R358 PolarHBondContact O-N 2.77Å
359Y86.4Confident78.3Confident125 Ų12580.3 Ų80.349%0.4941%0.407SS..EExtended strand (participates in β ladder)trans-75.8139.3166.861.4-92.3000109.1N354 E361N354-Y359 WeakPolarHBondContact OD1-CA 3.38Å; N354-Y359 VanDerWaalsContact OD1-CB 3.29Å; N354-Y359 WeakPolarHBondContact OD1-CB 3.3Å; Y359-E361 HydrophobicContact CD2-CG 4.14Å; Y359-E361 HydrophobicContact CE2-CG 4.14Å
360I89.4Confident76.4Confident0 Ų079.6 Ų79.60%042%0.415CS..PPolyproline II helixtrans-103.5129.7179.7-56-53.1000108.7M296 G298 L299 F311 K352 H353 M355 L362M296-I360 HydrophobicContact CB-CG2 4.46Å; M296-I360 HydrophobicContact CE-CG2 3.71Å; G298-I360 WeakPolarHBondContact O-CD1 3.45Å; L299-I360 HydrophobicContact CD2-CD1 4.05Å; L299-I360 HydrophobicContact CG-CD1 4.44Å; F311-I360 HydrophobicContact CE1-CG2 4.39Å; F311-I360 HydrophobicContact CE2-CB 4.44Å; F311-I360 HydrophobicContact CE2-CG1 4.22Å; F311-I360 HydrophobicContact CZ-CB 4Å; F311-I360 HydrophobicContact CZ-CG1 4.24Å; F311-I360 HydrophobicContact CZ-CG2 4.33Å; K352-I360 WeakPolarHBondContact CA-O 3.45Å; K352-I360 PolarHBondContact N-O 3.07Å; H353-I360 PolarHBondContact O-N 3.2Å; M355-I360 HydrophobicContact CB-CD1 3.78Å; M355-I360 HydrophobicContact CB-CG1 3.49Å; M355-I360 VanDerWaalsContact CB-CG1 3.49Å; M355-I360 HydrophobicContact CE-CG1 4.39Å; M355-I360 HydrophobicContact SD-CD1 4.46Å; I360-L362 HydrophobicContact CG2-CD2 3.83Å; I360-L362 HydrophobicContact CG2-CG 4.47Å
361E88.5Confident74.2Confident72 Ų7280.6 Ų80.634%0.33643%0.434SS..EExtended strand (participates in β ladder)trans-99.2129.6173-64.3-179.9111.600108.7M296 R297 D351 Y359 F363M296-E361 CarbonylContact C-O 3.54Å; M296-E361 WeakPolarHBondContact CA-O 3.47Å; R297-E361 PolarHBondContact N-O 2.84Å; R297-E361 PolarHBondContact O-N 2.76Å; D351-E361 WeakPolarHBondContact OD1-CA 3.45Å; Y359-E361 HydrophobicContact CD2-CG 4.14Å; Y359-E361 HydrophobicContact CE2-CG 4.14Å; E361-F363 HydrophobicContact CB-CE2 3.88Å; E361-F363 HydrophobicContact CB-CZ 4.2Å
362L89.4Confident72Confident5 Ų582.1 Ų82.13%0.02646%0.46CS..EExtended strand (participates in β ladder)trans-110.5139.8178.8-58.3-179.5000109.8V294 H295 M296 F311 F312 A347 M348 K350 D351 I360V294-L362 HydrophobicContact CG1-CB 4.01Å; V294-L362 HydrophobicContact CG1-CD2 4.13Å; V294-L362 HydrophobicContact CG1-CG 4.48Å; H295-L362 CarbonylContact O-C 3.52Å; H295-L362 WeakPolarHBondContact O-CA 3.46Å; M296-L362 HydrophobicContact CB-CD2 4.11Å; M296-L362 HydrophobicContact CE-CD2 3.92Å; M296-L362 HydrophobicContact CG-CD2 3.61Å; M296-L362 HydrophobicContact SD-CD2 4.48Å; F311-L362 HydrophobicContact CE1-CD1 4.3Å; F311-L362 HydrophobicContact CE1-CD2 4.47Å; F312-L362 HydrophobicContact CE1-CD1 3.78Å; F312-L362 HydrophobicContact CE1-CD2 4.18Å; F312-L362 HydrophobicContact CZ-CD1 4.23Å; F312-L362 HydrophobicContact CZ-CD2 3.77Å; A347-L362 WeakPolarHBondContact O-CD1 3.29Å; M348-L362 HydrophobicContact CE-CB 4.21Å; M348-L362 VanDerWaalsContact CE-O 3.23Å; M348-L362 WeakPolarHBondContact CE-O 3.39Å; M348-L362 HydrophobicContact SD-CB 3.81Å; K350-L362 HydrophobicContact CB-CD1 4.2Å; D351-L362 HydrophobicContact CB-CB 4.31Å; D351-L362 PolarHBondContact OD1-N 3.38Å; I360-L362 HydrophobicContact CG2-CD2 3.83Å; I360-L362 HydrophobicContact CG2-CG 4.47Å
363F86.9Confident69.7Low87 Ų8784.9 Ų84.938%0.38248%0.475SS..EExtended strand (participates in β ladder)trans-127.6119.1177.9-58.2-90.6000108.6V294 H295 R297 E361 N365V294-F363 CarbonylContact C-O 3.24Å; V294-F363 WeakPolarHBondContact CA-O 3.49Å; H295-F363 HydrophobicContact CB-CB 4.2Å; H295-F363 AromaticContact CD2-CD2 3.92Å; H295-F363 PolarHBondContact N-O 3.47Å; H295-F363 PolarHBondContact O-N 2.85Å; R297-F363 HydrophobicContact CB-CE2 4.15Å; R297-F363 HydrophobicContact CG-CD2 4.23Å; R297-F363 HydrophobicContact CG-CE2 3.76Å; E361-F363 HydrophobicContact CB-CE2 3.88Å; E361-F363 HydrophobicContact CB-CZ 4.2Å; F363-N365 PolarHBondContact O-N 3.19Å
364L84.1Confident67.5Low63 Ų6388.5 Ų88.533%0.3350%0.495SS..EExtended strand (participates in β ladder)trans-76.7111.3179.5-174.363.8000110V294 A344 V345 M348V294-L364 HydrophobicContact CG2-CD1 4.03Å; A344-L364 HydrophobicContact CB-CD1 3.54Å; V345-L364 HydrophobicContact CG2-CD2 3.77Å; M348-L364 HydrophobicContact CE-CB 4.12Å; M348-L364 HydrophobicContact CG-CB 3.89Å; M348-L364 HydrophobicContact CG-CD1 4.18Å; M348-L364 HydrophobicContact CG-CD2 4.4Å; M348-L364 HydrophobicContact CG-CG 4.39Å; M348-L364 HydrophobicContact SD-CB 3.7Å; M348-L364 PolarHBondContact SD-N 2.91Å
365N76.2Confident65.6Low90 Ų9088.5 Ų88.548%0.48150%0.503SS..EExtended strand (participates in β ladder)trans-109.362.3173-69.4-9.9000108.9F293 F363F293-N365 HydrophobicContact CB-CB 4.11Å; F293-N365 WeakPolarHBondContact CB-O 3.17Å; F293-N365 PolarHBondContact N-O 2.9Å; F293-N365 CarbonylContact O-C 3.58Å; F293-N365 VanDerWaalsContact O-CA 3.29Å; F293-N365 WeakPolarHBondContact O-CA 3.32Å; F293-N365 PolarHBondContact O-N 3.47Å; F363-N365 PolarHBondContact O-N 3.19Å
366S62.9Low63.6Low22 Ų2298.9 Ų98.915%0.15454%0.542CS..  trans-126.3125.9-179.4173.30000110.8H292 H341H292-S366 PolarHBondContact ND1-OG 3.2Å; H341-S366 WeakPolarHBondContact ND1-CB 3.46Å; H341-S366 PolarHBondContact ND1-OG 2.82Å
367T56.7Low61.3Low79 Ų7997 Ų9749%0.48556%0.555SS.*  trans-89.4121.9167.852.50000109.4N369T367-N369 PolarHBondContact O-N 3.46Å; T367-N369 PolarHBondContact OG1-O 2.77Å
368A51.2Low59.1Low71 Ų7193.8 Ų93.859%0.58756%0.563SS**SBendtrans-65.2-17.2179.900000113.4
369N44.5Very low56.6Low131 Ų13193.2 Ų93.270%0.70159%0.588SS**SBendtrans-125.1130.7173.3-81-11.8000109.3T367 A371T367-N369 PolarHBondContact O-N 3.46Å; T367-N369 PolarHBondContact OG1-O 2.77Å; N369-A371 VanDerWaalsContact C-N 3.26Å; N369-A371 PolarHBondContact O-N 2.99Å
370G45Very low53.8Low81 Ų8190 Ų9084%0.83559%0.593SS**SBendtrans-65.287.2165.800000110.1
371A35.1Very low51Low77 Ų77100 Ų10064%0.63663%0.632SS**  trans-156110.4165.900000107.9N369 E373N369-A371 VanDerWaalsContact C-N 3.26Å; N369-A371 PolarHBondContact O-N 2.99Å; A371-E373 PolarHBondContact O-N 2.98Å
372G41.7Very low48.3Very low80 Ų80107.2 Ų107.283%0.82566%0.658SS**  trans-60.3117.1176.300000110.5M374G372-M374 PolarHBondContact O-N 3.16Å
373E35.7Very low45.4Very low196 Ų196110.9 Ų110.992%0.91670%0.697SS**  trans-81.672.9170.5-152.9177.9172.800108.7A371 S375A371-E373 PolarHBondContact O-N 2.98Å; E373-S375 PolarHBondContact O-N 3.45Å
374M37.9Very low42.6Very low181 Ų181112.4 Ų112.489%0.89272%0.718SS**  trans-76.497161.6-73.6-175.7-178.900107.9G372 R376G372-M374 PolarHBondContact O-N 3.16Å; M374-R376 PolarHBondContact O-N 2.99Å
375S43.7Very low40.1Very low113 Ų113115 Ų11579%0.7974%0.741SS**  trans-60.199.9165.9-1730000110.2E373E373-S375 PolarHBondContact O-N 3.45Å
376R38.4Very low38Very low232 Ų232114.6 Ų114.688%0.87576%0.759SS**  trans-152.2101.8152-80.1-157.8172168.4-1.3112.1M374M374-R376 PolarHBondContact O-N 2.99Å
377G32.3Very low36.4Very low82 Ų82117.5 Ų117.585%0.84579%0.792SS**  82.3109.8125.600000120.4
378G32Very low35.2Very low85 Ų85117.7 Ų117.788%0.87681%0.81SS**  106.6119.2122.600000119.1
379G30.6Very low34.2Very low85 Ų85118.1 Ų118.188%0.87682%0.821SS**  trans93.1122.5160.800000113.5
380G28.4Very low33.5Very low58 Ų58115.2 Ų115.260%0.59882%0.822SS**  cis108.999.127.100000109.1
381Y29Very low32.8Very low211 Ų211116.1 Ų116.183%0.82782%0.816SS**  trans70.7133.4171.1-50.8-87.8000114.3
382Y32.7Very low32.6Very low223 Ų223123.3 Ų123.388%0.87583%0.827SS**  cis-159148.837.2-13.1-94.4000110.6
383G27.7Very low32.1Very low82 Ų82125.1 Ų125.185%0.84583%0.827SS**  trans98.883141.500000118.1
384S28.9Very low31.9Very low119 Ų119119.8 Ų119.883%0.83282%0.824SS**  trans-134.9109.7141.6-161.90000110
385S32.1Very low31.5Very low116 Ų116114.8 Ų114.881%0.81182%0.819SS**  trans-46.7139161.247.10000112.3
386G31.5Very low31.2Very low83 Ų83117.8 Ų117.886%0.85683%0.825SS**  trans145.436159.400000116.7
387G29.7Very low31.1Very low83 Ų83118.6 Ų118.686%0.85683%0.828SS**  trans-108.986.4171.400000111.4G389G387-G389 PolarHBondContact O-N 3.46Å
388G31.3Very low31.1Very low83 Ų83117.6 Ų117.686%0.85682%0.818SS**  trans-86.398.2170.800000110.9
389G30.8Very low31.5Very low79 Ų79119 Ų11981%0.81481%0.81SS**  trans-69.5138.4167.800000111.1G387G387-G389 PolarHBondContact O-N 3.46Å
390G29.1Very low31.9Very low71 Ų71128.7 Ų128.773%0.73282%0.822SS**  trans-87.1-174.9-163.900000116.8
391S30.6Very low32.1Very low100 Ų100132.2 Ų132.270%0.69983%0.833SS**  trans177.1123.1141.8-89.90000111.8
392R30.5Very low32.3Very low228 Ų228128.1 Ų128.186%0.8683%0.833SS**  trans89125.6137.5-60.1164.3-169-147.9-0.7120.2
393S31.2Very low32.3Very low118 Ų118122.8 Ų122.883%0.82583%0.831SS**  trans76.7107.1137.361.30000120.3
394G30.8Very low32.5Very low84 Ų84125.2 Ų125.287%0.86683%0.83SS**  98.6123105.800000117.6
395G31.1Very low32.8Very low76 Ų76125.6 Ų125.678%0.78483%0.83SS**  trans111.596.4141.500000117.8
396L36.9Very low32.8Very low176 Ų176126.2 Ų126.292%0.92183%0.831SS**  trans3.3124.3135-75.5144.6000119
397R35.6Very low32.9Very low248 Ų248129.3 Ų129.394%0.93683%0.829SS**  trans164.8130.1133.3-95.2179177.2-150.50.3106.1
398G33.8Very low33.1Very low62 Ų62132.8 Ų132.864%0.63983%0.827SS**  cis98.1126.94200000108.6
399V38.8Very low33.3Very low115 Ų115137 Ų13770%0.69783%0.825SS**  trans73131.7168.8-117.50000115.7
400Y40.5Very low33.5Very low287 Ų287142.3 Ų142.3100%1.12583%0.826SS**  cis-143.7020-64.6-96.8000110.1

Retrieved 400 of 400 residues in 130.2 ms (Link to these results)

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