A0A3Q0KL08_SCHMA Loading...

IRS-type PTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KL08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 342 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.8Very low65.7Low244 Ų244120 Ų120100%1.20262%0.616SS**  0119.30-73.7168.815300106.8
2R42.5Very low68.1Low250 Ų250111.6 Ų111.694%0.94358%0.578SS**  trans-104.6128.7172.6-141.4-178-171.4-177.33.4108.1G4R2-G4 PolarHBondContact O-N 2.68Å
3N42.6Very low70.3Confident146 Ų146105.7 Ų105.778%0.78155%0.552SS**  trans-66.5110.2172.4-61.9-23.1000107.4Q5N3-Q5 PolarHBondContact O-N 3.23Å; N3-Q5 VanDerWaalsContact O-N 3.14Å
4G49.6Very low72.1Confident55 Ų5598.1 Ų98.157%0.56751%0.513SS*.  trans-52.4122.6161.600000107.3R2 G6R2-G4 PolarHBondContact O-N 2.68Å; G4-G6 PolarHBondContact O-N 3.3Å
5Q51.5Low73.6Confident203 Ų20393.3 Ų93.395%0.94949%0.487SS*.SBendtrans-70.4-17.5-177.8-71.7-175.6-19.600111.6N3N3-Q5 PolarHBondContact O-N 3.23Å; N3-Q5 VanDerWaalsContact O-N 3.14Å
6G61.8Low74.8Confident22 Ų2287.6 Ų87.623%0.22746%0.457CS..SBendtrans-83.3137.2175.600000113.4G4 E8 T56G4-G6 PolarHBondContact O-N 3.3Å; G6-E8 PolarHBondContact O-N 2.97Å; G6-T56 WeakPolarHBondContact O-CG2 3.49Å
7K78.9Confident75.8Confident179 Ų17987.2 Ų87.278%0.77845%0.451SS*.PPolyproline II helixtrans-57.8125.3167.1-176178.8179.2-179.10109V9K7-V9 PolarHBondContact O-N 3.42Å
8E88.5Confident76.6Confident79 Ų7983.7 Ų83.737%0.36943%0.431SS..PPolyproline II helixtrans-59.7120.7173.9-172.1177.5133.200109.2G6 A10 S11 R52 H54G6-E8 PolarHBondContact O-N 2.97Å; E8-A10 WeakPolarHBondContact CG-O 3.4Å; E8-S11 WeakPolarHBondContact OE1-CB 3.3Å; E8-S11 PolarHBondContact OE1-OG 3.4Å; E8-R52 IonicContact OE1-NH2 3.26Å; E8-R52 PolarHBondContact OE1-NH2 3.29Å; E8-H54 IonicContact OE2-CE1 3.98Å; E8-H54 IonicContact OE2-CG 3.34Å; E8-H54 IonicContact OE2-ND1 3.44Å; E8-H54 PolarHBondContact OE2-ND1 2.91Å
9V90Very high77.4Confident70 Ų7080.5 Ų80.542%0.42441%0.414SS..  trans-87-38.9178.1-179.70000109.9K7 I55 N57 L130K7-V9 PolarHBondContact O-N 3.42Å; V9-I55 PolarHBondContact N-O 3.42Å; V9-N57 WeakPolarHBondContact CG2-OD1 3.28Å; V9-L130 HydrophobicContact CG1-CD2 4.49Å
10A92.4Very high78.1Confident24 Ų2476.5 Ų76.520%0.19839%0.393CS..EExtended strand (participates in β ladder)trans-157.2163.8176.600000110.6E8 I55 T126E8-A10 WeakPolarHBondContact CG-O 3.4Å; A10-I55 HydrophobicContact CB-CB 4.38Å; A10-I55 HydrophobicContact CB-CD1 4.23Å; A10-I55 PolarHBondContact N-O 2.87Å; A10-I55 WeakPolarHBondContact O-CB 3.4Å; A10-I55 PolarHBondContact O-N 2.72Å; A10-T126 HydrophobicContact CB-CG2 4.1Å
11S93.8Very high78.8Confident48 Ų4877.3 Ų77.334%0.33639%0.394SS..EExtended strand (participates in β ladder)trans-139.4154.3161.943.20000111.9E8 R52 L53E8-S11 WeakPolarHBondContact OE1-CB 3.3Å; E8-S11 PolarHBondContact OE1-OG 3.4Å; S11-R52 PolarHBondContact OG-NE 3.22Å; S11-R52 PolarHBondContact OG-NH2 2.91Å; S11-L53 CarbonylContact C-O 3.48Å; S11-L53 WeakPolarHBondContact CA-O 3.22Å; S11-L53 WeakPolarHBondContact CB-O 3.31Å
12A94.6Very high81.7Confident19 Ų1965.8 Ų65.816%0.15734%0.337CS..EExtended strand (participates in β ladder)trans-135.3147.2178.300000110.1V14 R52 L53A12-V14 HydrophobicContact CB-CG1 4.17Å; A12-R52 WeakPolarHBondContact O-CA 3.37Å; A12-L53 PolarHBondContact N-O 2.92Å; A12-L53 PolarHBondContact O-N 2.75Å
13S95.7Very high84Confident35 Ų3557.2 Ų57.225%0.24531%0.31CS..EExtended strand (participates in β ladder)trans-88.1122.8167.7-1730000108.6W50 C51S13-W50 WeakPolarHBondContact O-CZ3 3.38Å; S13-C51 WeakPolarHBondContact CA-O 3.3Å
14V96.5Very high86.1Confident0 Ų053.4 Ų53.40%029%0.293CS..EExtended strand (participates in β ladder)trans-130.8156.3-176.1-56.70000111.1A12 W50 C51 L53 L62 L112 C113 T114A12-V14 HydrophobicContact CB-CG1 4.17Å; V14-W50 WeakPolarHBondContact O-CA 3.42Å; V14-C51 PolarHBondContact N-O 2.9Å; V14-C51 PolarHBondContact O-N 3.49Å; V14-C51 PolarHBondContact O-SG 2.71Å; V14-L53 HydrophobicContact CG1-CB 4.15Å; V14-L53 HydrophobicContact CG1-CD2 4.3Å; V14-L53 HydrophobicContact CG2-CB 3.92Å; V14-L62 HydrophobicContact CG2-CD2 3.89Å; V14-L112 HydrophobicContact CB-CD1 4.28Å; V14-L112 HydrophobicContact CG1-CD1 4.04Å; V14-C113 CarbonylContact C-O 3.51Å; V14-C113 VanDerWaalsContact CA-O 3.25Å; V14-C113 WeakPolarHBondContact CA-O 3.5Å; V14-T114 HydrophobicContact CG1-CG2 4.38Å
15M94.7Very high88.1Confident26 Ų2658.1 Ų58.113%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-125.5120.1170.6174.3-178.6-68.300108.4K17 P47 S48 W50 L112 C113M15-K17 HydrophobicContact CG-CD 4.33Å; M15-K17 PolarHBondContact O-N 3.46Å; M15-K17 HydrophobicContact SD-CD 4.11Å; M15-K17 PolarHBondContact SD-NZ 3.24Å; M15-P47 HydrophobicContact SD-CB 4.22Å; M15-S48 VanDerWaalsContact CG-O 3.3Å; M15-S48 WeakPolarHBondContact CG-O 3.35Å; M15-W50 HydrophobicContact CB-CD2 4.15Å; M15-W50 HydrophobicContact CB-CE3 4.11Å; M15-W50 HydrophobicContact CB-CZ3 4.33Å; M15-W50 HydrophobicContact CE-CD2 4.15Å; M15-W50 HydrophobicContact CE-CG 4Å; M15-W50 HydrophobicContact CE-CZ2 4.48Å; M15-L112 CarbonylContact O-C 3.41Å; M15-L112 VanDerWaalsContact O-CA 3.32Å; M15-L112 WeakPolarHBondContact O-CA 3.43Å; M15-C113 HydrophobicContact CB-CB 4.37Å; M15-C113 PolarHBondContact N-O 3Å; M15-C113 PolarHBondContact O-N 3.43Å
16I92.8Very high90Very high1 Ų149.5 Ų49.51%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-73.5119.7173.7-56.1-178.6000108.1Y19 P47 S48 L62 A65 Y66 V110I16-Y19 HydrophobicContact CD1-CE1 4.26Å; I16-Y19 VanDerWaalsContact CD1-OH 3.31Å; I16-Y19 WeakPolarHBondContact CD1-OH 3.38Å; I16-Y19 HydrophobicContact CG2-CD1 4.46Å; I16-Y19 HydrophobicContact CG2-CE1 3.82Å; I16-Y19 HydrophobicContact CG2-CE2 4.1Å; I16-P47 CarbonylContact O-C 3.56Å; I16-P47 WeakPolarHBondContact O-CA 3.28Å; I16-S48 PolarHBondContact N-OG 3.29Å; I16-S48 PolarHBondContact O-N 2.96Å; I16-L62 HydrophobicContact CD1-CD1 3.81Å; I16-A65 HydrophobicContact CD1-CB 3.79Å; I16-A65 HydrophobicContact CG1-CB 4.42Å; I16-Y66 WeakPolarHBondContact CD1-O 3.46Å; I16-V110 HydrophobicContact CD1-CG1 4.33Å; I16-V110 HydrophobicContact CG1-CG1 4.37Å; I16-V110 HydrophobicContact CG2-CG1 3.93Å
17K90.7Very high91.5Very high81 Ų8155.2 Ų55.235%0.35229%0.286SS..EExtended strand (participates in β ladder)trans-89.8-43.7179-68.5-61.5-168.6179.60111.2M15 P47 L93 I111 C113M15-K17 HydrophobicContact CG-CD 4.33Å; M15-K17 PolarHBondContact O-N 3.46Å; M15-K17 HydrophobicContact SD-CD 4.11Å; M15-K17 PolarHBondContact SD-NZ 3.24Å; K17-P47 HydrophobicContact CD-CB 4.21Å; K17-P47 HydrophobicContact CD-CG 4.41Å; K17-L93 HydrophobicContact CG-CD1 4.27Å; K17-I111 HydrophobicContact CB-CG2 4.42Å; K17-I111 PolarHBondContact N-O 3.26Å; K17-C113 HydrophobicContact CG-CB 4.1Å
18K90.8Very high92.1Very high24 Ų2448.1 Ų48.110%0.10426%0.256CS..EExtended strand (participates in β ladder)trans-161.4149.5-172.8-169.2166.7179.3179.80111.7V20 H37 Q40 I111K18-V20 HydrophobicContact CG-CG2 4.4Å; K18-H37 PolarHBondContact NZ-NE2 2.9Å; K18-Q40 WeakPolarHBondContact CE-O 3.49Å; K18-Q40 PolarHBondContact NZ-O 3.04Å; K18-I111 HydrophobicContact CB-CB 4.36Å; K18-I111 HydrophobicContact CB-CD1 4.36Å; K18-I111 PolarHBondContact N-O 3.24Å; K18-I111 PolarHBondContact O-N 3.2Å
19Y91.8Very high92.1Very high24 Ų2445.5 Ų45.59%0.09424%0.244CC..EExtended strand (participates in β ladder)trans-104.7133164.6-52.8-80.2000108.3I16 H45 Y66 W67 P69 Y109 V110I16-Y19 HydrophobicContact CD1-CE1 4.26Å; I16-Y19 VanDerWaalsContact CD1-OH 3.31Å; I16-Y19 WeakPolarHBondContact CD1-OH 3.38Å; I16-Y19 HydrophobicContact CG2-CD1 4.46Å; I16-Y19 HydrophobicContact CG2-CE1 3.82Å; I16-Y19 HydrophobicContact CG2-CE2 4.1Å; Y19-H45 AromaticContact CD2-CD2 3.85Å; Y19-H45 AromaticContact CD2-CE1 3.9Å; Y19-H45 AromaticContact CD2-NE2 3.78Å; Y19-H45 AromaticContact CE2-CD2 3.76Å; Y19-H45 AromaticContact CE2-CE1 3.44Å; Y19-H45 VanDerWaalsContact CE2-CE1 3.44Å; Y19-H45 WeakPolarHBondContact CE2-CE1 2.97Å; Y19-H45 AromaticContact CE2-NE2 3.22Å; Y19-H45 WeakPolarHBondContact CE2-NE2 3.38Å; Y19-Y66 PolarHBondContact OH-O 3.11Å; Y19-W67 WeakPolarHBondContact CE1-O 3.5Å; Y19-P69 HydrophobicContact CD2-CG 3.74Å; Y19-P69 HydrophobicContact CE2-CG 4.36Å; Y19-P69 HydrophobicContact CG-CG 3.84Å; Y19-Y109 WeakPolarHBondContact CA-O 3.32Å; Y19-V110 HydrophobicContact CD1-CG1 4.2Å; Y19-V110 HydrophobicContact CD1-CG2 3.99Å; Y19-V110 HydrophobicContact CE1-CG1 4Å; Y19-V110 HydrophobicContact CE1-CG2 4.22Å
20V92Very high92.1Very high0 Ų042.1 Ų42.10%022%0.224CC..EExtended strand (participates in β ladder)trans-116.4101.1176.1-178.80000107.4K18 L33 R36 H37 Q108 Y109 I111K18-V20 HydrophobicContact CG-CG2 4.4Å; V20-L33 HydrophobicContact CB-CD1 4.33Å; V20-L33 HydrophobicContact CG1-CD1 4.35Å; V20-L33 HydrophobicContact CG2-CD1 4.23Å; V20-R36 HydrophobicContact CG1-CB 3.52Å; V20-H37 HydrophobicContact CG1-CB 4.37Å; V20-H37 HydrophobicContact CG2-CB 4.2Å; V20-Q108 CarbonylContact O-C 3.53Å; V20-Q108 WeakPolarHBondContact O-CA 3.46Å; V20-Q108 VanDerWaalsContact O-CB 3.23Å; V20-Q108 WeakPolarHBondContact O-CB 3.31Å; V20-Y109 PolarHBondContact N-O 2.71Å; V20-Y109 PolarHBondContact O-N 2.9Å; V20-I111 HydrophobicContact CG2-CD1 3.8Å; V20-I111 HydrophobicContact CG2-CG1 4.26Å
21K91.9Very high92Very high94 Ų9447 Ų4741%0.40924%0.242SC..EExtended strand (participates in β ladder)trans-65.8138.2179.9-170.9175.5-178.9-178.20109.7Q40K21-Q40 PolarHBondContact O-NE2 3.49Å
22L92.4Very high91.9Very high1 Ų145.6 Ų45.61%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-106.9152.9172.6-61.6-176.3000109.4D26 F28 T32 R36 K107 Y109L22-D26 HydrophobicContact CB-CB 3.96Å; L22-D26 HydrophobicContact CD2-CB 4.5Å; L22-F28 HydrophobicContact CD1-CD1 3.83Å; L22-F28 HydrophobicContact CD1-CE1 3.62Å; L22-F28 HydrophobicContact CD1-CZ 4.28Å; L22-T32 HydrophobicContact CD2-CG2 3.71Å; L22-R36 HydrophobicContact CD2-CB 4.17Å; L22-R36 HydrophobicContact CD2-CG 3.75Å; L22-K107 HydrophobicContact CB-CB 3.8Å; L22-K107 HydrophobicContact CD1-CB 4.27Å; L22-K107 PolarHBondContact N-O 3.42Å; L22-Y109 HydrophobicContact CD1-CD2 3.83Å; L22-Y109 HydrophobicContact CD1-CE2 3.67Å; L22-Y109 HydrophobicContact CD2-CD2 3.91Å; L22-Y109 HydrophobicContact CD2-CE2 4.06Å; L22-Y109 HydrophobicContact CG-CD2 4.1Å; L22-Y109 HydrophobicContact CG-CE2 4.32Å
23D90.5Very high91.8Very high71 Ų7144.7 Ų44.738%0.3822%0.224SC..  trans-77.3160.5169.8-71-9.7000110.2D25 D26 R36D23-D25 PolarHBondContact O-N 2.92Å; D23-D26 PolarHBondContact N-OD2 2.9Å; D23-D26 WeakPolarHBondContact O-CB 3.29Å; D23-D26 PolarHBondContact O-N 3.48Å; D23-R36 VanDerWaalsContact CG-CZ 3.42Å; D23-R36 VanDerWaalsContact CG-NH1 3.31Å; D23-R36 IonicContact OD1-CZ 3.72Å; D23-R36 IonicContact OD1-NH1 3.83Å; D23-R36 IonicContact OD1-NH2 3.63Å; D23-R36 IonicContact OD2-CZ 2.82Å; D23-R36 IonicContact OD2-NH1 3.11Å; D23-R36 PolarHBondContact OD2-NH1 3.09Å; D23-R36 IonicContact OD2-NH2 3.28Å; D23-R36 PolarHBondContact OD2-NH2 3.4Å
24P88.1Confident91.5Very high66 Ų6644.1 Ų44.143%0.42922%0.218SC..THydrogen-bonded Turntrans-57-34.9-179.5-27.336.6000113.8K107P24-K107 PolarHBondContact O-NZ 3.26Å
25D89.9Confident91.2Very high154 Ų15449.6 Ų49.682%0.82424%0.242SC*.THydrogen-bonded Turntrans-87-5.7-179.1-56.3-38.8000113.4D23 E27D23-D25 PolarHBondContact O-N 2.92Å; D25-E27 PolarHBondContact O-N 3.46Å
26D92.9Very high91.1Very high21 Ų2149.6 Ų49.611%0.11224%0.241CC..  trans-69.9132.6178.3-81.9-16.6000111L22 D23 T32 R36L22-D26 HydrophobicContact CB-CB 3.96Å; L22-D26 HydrophobicContact CD2-CB 4.5Å; D23-D26 PolarHBondContact N-OD2 2.9Å; D23-D26 WeakPolarHBondContact O-CB 3.29Å; D23-D26 PolarHBondContact O-N 3.48Å; D26-T32 HydrophobicContact CB-CG2 3.69Å; D26-R36 IonicContact OD1-CZ 3.88Å; D26-R36 IonicContact OD1-NE 2.79Å; D26-R36 IonicContact OD1-NH2 3.06Å; D26-R36 PolarHBondContact OD1-NH2 3.25Å; D26-R36 IonicContact OD2-CZ 3.42Å; D26-R36 IonicContact OD2-NE 3.9Å; D26-R36 PolarHBondContact OD2-NE 3.1Å; D26-R36 IonicContact OD2-NH2 2.69Å; D26-R36 PolarHBondContact OD2-NH2 2.86Å
27E91.7Very high90.9Very high142 Ų14250.4 Ų50.466%0.66424%0.244SC*.  trans-81147169.9-67-176.7173.500111.9D25 N29 T32D25-E27 PolarHBondContact O-N 3.46Å; E27-N29 VanDerWaalsContact C-N 3.3Å; E27-N29 PolarHBondContact O-N 3.33Å; E27-T32 VanDerWaalsContact O-CB 3.32Å; E27-T32 WeakPolarHBondContact O-CB 3.16Å; E27-T32 WeakPolarHBondContact O-CG2 3.4Å; E27-T32 PolarHBondContact O-OG1 3.19Å; E27-T32 VanDerWaalsContact O-OG1 3.07Å
28F91.6Very high90.8Very high30 Ų3048.2 Ų48.213%0.13225%0.245CC..SBendtrans-73.584.5170.9-71.9-76.3000111L22 N82 C83 I98 A99 K107 Y109L22-F28 HydrophobicContact CD1-CD1 3.83Å; L22-F28 HydrophobicContact CD1-CE1 3.62Å; L22-F28 HydrophobicContact CD1-CZ 4.28Å; F28-N82 HydrophobicContact CB-CB 4.18Å; F28-N82 HydrophobicContact CD1-CB 4.07Å; F28-N82 HydrophobicContact CD2-CB 3.32Å; F28-N82 HydrophobicContact CE1-CB 4.29Å; F28-N82 HydrophobicContact CE2-CB 3.59Å; F28-N82 HydrophobicContact CG-CB 3.58Å; F28-N82 HydrophobicContact CZ-CB 4.07Å; F28-C83 HydrophobicContact CB-CB 3.93Å; F28-I98 WeakPolarHBondContact CZ-O 3.38Å; F28-A99 HydrophobicContact CE2-CB 3.9Å; F28-A99 HydrophobicContact CZ-CB 3.82Å; F28-K107 HydrophobicContact CE2-CD 4.11Å; F28-K107 HydrophobicContact CE2-CG 4.28Å; F28-K107 HydrophobicContact CZ-CB 3.94Å; F28-K107 HydrophobicContact CZ-CD 4.24Å; F28-K107 HydrophobicContact CZ-CG 4Å; F28-Y109 WeakPolarHBondContact CA-OH 3.25Å; F28-Y109 HydrophobicContact CD1-CE1 4.41Å; F28-Y109 HydrophobicContact CD1-CE2 4.21Å; F28-Y109 AromaticContact CD1-CZ 3.96Å
29N90.4Very high90.7Very high24 Ų2452 Ų5213%0.12826%0.263CS..SBendtrans-140.5166.9168.768.959.1000113E27 Q31 T32 L33 Y109 E155E27-N29 VanDerWaalsContact C-N 3.3Å; E27-N29 PolarHBondContact O-N 3.33Å; N29-Q31 VanDerWaalsContact C-N 3.34Å; N29-Q31 PolarHBondContact O-N 3.37Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.11Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.42Å; N29-Q31 PolarHBondContact OD1-N 2.88Å; N29-T32 PolarHBondContact ND2-OG1 3.34Å; N29-T32 PolarHBondContact O-N 3.28Å; N29-T32 PolarHBondContact OD1-N 2.79Å; N29-T32 PolarHBondContact OD1-OG1 3.29Å; N29-T32 VanDerWaalsContact OD1-OG1 3.13Å; N29-L33 PolarHBondContact O-N 2.74Å; N29-Y109 PolarHBondContact N-OH 3.01Å; N29-Y109 PolarHBondContact O-OH 2.99Å; N29-Y109 VanDerWaalsContact O-OH 3.12Å; N29-E155 VanDerWaalsContact CA-OE1 3.25Å; N29-E155 WeakPolarHBondContact CA-OE1 3.46Å; N29-E155 WeakPolarHBondContact CB-OE1 3.24Å
30S88.1Confident90.5Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-63.8-31.2-17946.10000114.3I34 K140 F142 E155S30-I34 WeakPolarHBondContact O-CB 3.27Å; S30-I34 WeakPolarHBondContact O-CD1 3.13Å; S30-I34 WeakPolarHBondContact O-CG1 3.49Å; S30-I34 PolarHBondContact O-N 2.89Å; S30-K140 WeakPolarHBondContact OG-CD 2.89Å; S30-F142 WeakPolarHBondContact OG-CZ 3.26Å; S30-E155 VanDerWaalsContact CB-OE2 3.23Å; S30-E155 WeakPolarHBondContact CB-OE2 3.22Å; S30-E155 PolarHBondContact N-OE2 3.47Å; S30-E155 PolarHBondContact OG-OE2 3.46Å
31Q90.4Very high90Very high125 Ų12556.8 Ų56.858%0.58429%0.289SS*.Hα-helixtrans-67.2-46176.7-69.3171.1-6.900110.8N29 I34 K35 F142N29-Q31 VanDerWaalsContact C-N 3.34Å; N29-Q31 PolarHBondContact O-N 3.37Å; N29-Q31 WeakPolarHBondContact OD1-CA 3.11Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.42Å; N29-Q31 PolarHBondContact OD1-N 2.88Å; Q31-I34 PolarHBondContact O-N 3.32Å; Q31-K35 WeakPolarHBondContact O-CB 3.41Å; Q31-K35 PolarHBondContact O-N 2.95Å; Q31-F142 HydrophobicContact CG-CE1 3.85Å; Q31-F142 HydrophobicContact CG-CZ 4.11Å
32T92.5Very high89.3Confident19 Ų1961.5 Ų61.512%0.11731%0.309CS..Hα-helixtrans-59.4-47.7174.4-55.20000111.1L22 D26 E27 N29 I34 K35 R36L22-T32 HydrophobicContact CD2-CG2 3.71Å; D26-T32 HydrophobicContact CB-CG2 3.69Å; E27-T32 VanDerWaalsContact O-CB 3.32Å; E27-T32 WeakPolarHBondContact O-CB 3.16Å; E27-T32 WeakPolarHBondContact O-CG2 3.4Å; E27-T32 PolarHBondContact O-OG1 3.19Å; E27-T32 VanDerWaalsContact O-OG1 3.07Å; N29-T32 PolarHBondContact ND2-OG1 3.34Å; N29-T32 PolarHBondContact O-N 3.28Å; N29-T32 PolarHBondContact OD1-N 2.79Å; N29-T32 PolarHBondContact OD1-OG1 3.29Å; N29-T32 VanDerWaalsContact OD1-OG1 3.13Å; T32-I34 VanDerWaalsContact C-N 3.3Å; T32-I34 PolarHBondContact O-N 3.3Å; T32-K35 PolarHBondContact O-N 3.3Å; T32-R36 HydrophobicContact CG2-CG 4.2Å; T32-R36 WeakPolarHBondContact O-CB 3.44Å; T32-R36 WeakPolarHBondContact O-CG 3.32Å; T32-R36 PolarHBondContact O-N 2.78Å
33L92.1Very high88.5Confident0 Ų065.1 Ų65.10%033%0.329CS..Hα-helixtrans-54.2-48.4176.7169.857.6000111.2V20 N29 H37 V85 F87 A95 Y109V20-L33 HydrophobicContact CB-CD1 4.33Å; V20-L33 HydrophobicContact CG1-CD1 4.35Å; V20-L33 HydrophobicContact CG2-CD1 4.23Å; N29-L33 PolarHBondContact O-N 2.74Å; L33-H37 WeakPolarHBondContact O-CB 3.38Å; L33-H37 PolarHBondContact O-N 2.81Å; L33-V85 HydrophobicContact CD2-CB 4.15Å; L33-V85 HydrophobicContact CD2-CG1 3.99Å; L33-V85 HydrophobicContact CD2-CG2 4.13Å; L33-F87 HydrophobicContact CD2-CZ 4.11Å; L33-A95 HydrophobicContact CD2-CB 3.94Å; L33-Y109 HydrophobicContact CB-CD2 3.97Å; L33-Y109 HydrophobicContact CB-CE2 3.73Å; L33-Y109 HydrophobicContact CB-CG 4.46Å; L33-Y109 HydrophobicContact CD1-CD1 4.3Å; L33-Y109 HydrophobicContact CD1-CD2 3.75Å; L33-Y109 HydrophobicContact CD1-CE2 4.4Å; L33-Y109 HydrophobicContact CD1-CG 3.68Å; L33-Y109 HydrophobicContact CD2-CD1 4.27Å; L33-Y109 HydrophobicContact CD2-CE1 4.4Å; L33-Y109 HydrophobicContact CD2-CG 4.44Å; L33-Y109 HydrophobicContact CG-CD2 4.34Å; L33-Y109 HydrophobicContact CG-CG 4.41Å
34I89.3Confident87.4Confident23 Ų2371.6 Ų71.612%0.11835%0.353CS..Hα-helixtrans-61.8-49.8-179.8-75166.8000111.4S30 Q31 T32 H37 G38 F142 V144 I146 I153S30-I34 WeakPolarHBondContact O-CB 3.27Å; S30-I34 WeakPolarHBondContact O-CD1 3.13Å; S30-I34 WeakPolarHBondContact O-CG1 3.49Å; S30-I34 PolarHBondContact O-N 2.89Å; Q31-I34 PolarHBondContact O-N 3.32Å; T32-I34 VanDerWaalsContact C-N 3.3Å; T32-I34 PolarHBondContact O-N 3.3Å; I34-H37 PolarHBondContact O-N 2.73Å; I34-G38 PolarHBondContact O-N 3.04Å; I34-F142 HydrophobicContact CD1-CB 3.73Å; I34-F142 HydrophobicContact CD1-CD1 3.24Å; I34-F142 HydrophobicContact CD1-CD2 3.53Å; I34-F142 HydrophobicContact CD1-CE1 3.54Å; I34-F142 HydrophobicContact CD1-CE2 3.8Å; I34-F142 HydrophobicContact CD1-CG 3.21Å; I34-F142 HydrophobicContact CD1-CZ 3.8Å; I34-V144 HydrophobicContact CD1-CG2 3.8Å; I34-V144 HydrophobicContact CG1-CG2 3.93Å; I34-V144 HydrophobicContact CG2-CB 4.02Å; I34-V144 HydrophobicContact CG2-CG1 3.64Å; I34-V144 HydrophobicContact CG2-CG2 3.8Å; I34-I146 HydrophobicContact CD1-CD1 4.02Å; I34-I146 HydrophobicContact CG1-CD1 3.41Å; I34-I146 VanDerWaalsContact CG1-CD1 3.41Å; I34-I146 HydrophobicContact CG1-CG1 4.12Å; I34-I153 HydrophobicContact CD1-CD1 3.85Å; I34-I153 HydrophobicContact CG1-CD1 4.37Å
35K91.4Very high86.6Confident115 Ų11572.1 Ų72.150%0.535%0.35SS..Hα-helixtrans-56.4-55.8179.8179.1-172.4171.8-166.40110.6Q31 T32 H37 G38 E39Q31-K35 WeakPolarHBondContact O-CB 3.41Å; Q31-K35 PolarHBondContact O-N 2.95Å; T32-K35 PolarHBondContact O-N 3.3Å; K35-H37 PolarHBondContact O-N 3.09Å; K35-G38 PolarHBondContact O-N 2.78Å; K35-G38 VanDerWaalsContact O-N 3.16Å; K35-E39 WeakPolarHBondContact CE-OE1 3.37Å; K35-E39 WeakPolarHBondContact CG-OE1 3.4Å; K35-E39 WeakPolarHBondContact O-CG 3.44Å; K35-E39 PolarHBondContact O-N 2.97Å
36R91.6Very high86Confident27 Ų2773.3 Ų73.310%0.10235%0.348CS..Hα-helixtrans-65.5-37.2-178.4-64.4-59.7-178.8168.32.8112.6V20 L22 D23 D26 T32 G38 E39 Q40V20-R36 HydrophobicContact CG1-CB 3.52Å; L22-R36 HydrophobicContact CD2-CB 4.17Å; L22-R36 HydrophobicContact CD2-CG 3.75Å; D23-R36 VanDerWaalsContact CG-CZ 3.42Å; D23-R36 VanDerWaalsContact CG-NH1 3.31Å; D23-R36 IonicContact OD1-CZ 3.72Å; D23-R36 IonicContact OD1-NH1 3.83Å; D23-R36 IonicContact OD1-NH2 3.63Å; D23-R36 IonicContact OD2-CZ 2.82Å; D23-R36 IonicContact OD2-NH1 3.11Å; D23-R36 PolarHBondContact OD2-NH1 3.09Å; D23-R36 IonicContact OD2-NH2 3.28Å; D23-R36 PolarHBondContact OD2-NH2 3.4Å; D26-R36 IonicContact OD1-CZ 3.88Å; D26-R36 IonicContact OD1-NE 2.79Å; D26-R36 IonicContact OD1-NH2 3.06Å; D26-R36 PolarHBondContact OD1-NH2 3.25Å; D26-R36 IonicContact OD2-CZ 3.42Å; D26-R36 IonicContact OD2-NE 3.9Å; D26-R36 PolarHBondContact OD2-NE 3.1Å; D26-R36 IonicContact OD2-NH2 2.69Å; D26-R36 PolarHBondContact OD2-NH2 2.86Å; T32-R36 HydrophobicContact CG2-CG 4.2Å; T32-R36 WeakPolarHBondContact O-CB 3.44Å; T32-R36 WeakPolarHBondContact O-CG 3.32Å; T32-R36 PolarHBondContact O-N 2.78Å; R36-G38 VanDerWaalsContact C-N 3.31Å; R36-G38 PolarHBondContact O-N 2.81Å; R36-E39 WeakPolarHBondContact CD-OE2 3.31Å; R36-E39 IonicContact NE-OE2 2.7Å; R36-E39 IonicContact NH1-OE2 3.51Å; R36-E39 PolarHBondContact NH1-OE2 3Å; R36-E39 PolarHBondContact O-N 2.88Å; R36-Q40 VanDerWaalsContact O-CB 3.27Å; R36-Q40 WeakPolarHBondContact O-CB 3.44Å; R36-Q40 WeakPolarHBondContact O-CG 3.38Å; R36-Q40 PolarHBondContact O-N 2.81Å
37H89.8Confident85.5Confident17 Ų1775.3 Ų75.38%0.07936%0.362CS..Hα-helixtrans-60.9-42.7174.4179.1-94.8000111.7K18 V20 L33 I34 K35 Q40 L41K18-H37 PolarHBondContact NZ-NE2 2.9Å; V20-H37 HydrophobicContact CG1-CB 4.37Å; V20-H37 HydrophobicContact CG2-CB 4.2Å; L33-H37 WeakPolarHBondContact O-CB 3.38Å; L33-H37 PolarHBondContact O-N 2.81Å; I34-H37 PolarHBondContact O-N 2.73Å; K35-H37 PolarHBondContact O-N 3.09Å; H37-Q40 CarbonylContact O-C 3.55Å; H37-Q40 PolarHBondContact O-N 2.86Å; H37-L41 PolarHBondContact O-N 3.25Å
38G87.8Confident85.1Confident35 Ų3569.6 Ų69.636%0.36134%0.338SS..Hα-helixtrans-61.5-49.1175.700000112.9I34 K35 R36 Q40 L41I34-G38 PolarHBondContact O-N 3.04Å; K35-G38 PolarHBondContact O-N 2.78Å; K35-G38 VanDerWaalsContact O-N 3.16Å; R36-G38 VanDerWaalsContact C-N 3.31Å; R36-G38 PolarHBondContact O-N 2.81Å; G38-Q40 PolarHBondContact O-N 3.05Å; G38-L41 WeakPolarHBondContact O-CB 3.3Å; G38-L41 WeakPolarHBondContact O-CD1 3.5Å; G38-L41 VanDerWaalsContact O-CG 3.24Å; G38-L41 WeakPolarHBondContact O-CG 3.34Å; G38-L41 PolarHBondContact O-N 2.77Å
39E88.3Confident85Confident105 Ų10576.9 Ų76.949%0.49137%0.369SS..Hα-helixtrans-59.9-34.7176.1-69.2169.4-174.400112K35 R36K35-E39 WeakPolarHBondContact CE-OE1 3.37Å; K35-E39 WeakPolarHBondContact CG-OE1 3.4Å; K35-E39 WeakPolarHBondContact O-CG 3.44Å; K35-E39 PolarHBondContact O-N 2.97Å; R36-E39 WeakPolarHBondContact CD-OE2 3.31Å; R36-E39 IonicContact NE-OE2 2.7Å; R36-E39 IonicContact NH1-OE2 3.51Å; R36-E39 PolarHBondContact NH1-OE2 3Å; R36-E39 PolarHBondContact O-N 2.88Å
40Q87.6Confident85.2Confident24 Ų2481.4 Ų81.411%0.11239%0.385CS..THydrogen-bonded Turntrans-97.320.4-177.2-61.3171.740.400112.9K18 K21 R36 H37 G38 K42 N43K18-Q40 WeakPolarHBondContact CE-O 3.49Å; K18-Q40 PolarHBondContact NZ-O 3.04Å; K21-Q40 PolarHBondContact O-NE2 3.49Å; R36-Q40 VanDerWaalsContact O-CB 3.27Å; R36-Q40 WeakPolarHBondContact O-CB 3.44Å; R36-Q40 WeakPolarHBondContact O-CG 3.38Å; R36-Q40 PolarHBondContact O-N 2.81Å; H37-Q40 CarbonylContact O-C 3.55Å; H37-Q40 PolarHBondContact O-N 2.86Å; G38-Q40 PolarHBondContact O-N 3.05Å; Q40-K42 PolarHBondContact O-N 3.26Å; Q40-N43 HydrophobicContact CB-CB 4.42Å; Q40-N43 WeakPolarHBondContact O-CB 3.29Å; Q40-N43 PolarHBondContact O-N 2.87Å
41L80.8Confident85.4Confident100 Ų10081.8 Ų81.852%0.52439%0.387SS..THydrogen-bonded Turntrans-61-32.8176.3-77.9171.5000112.4H37 G38 N43H37-L41 PolarHBondContact O-N 3.25Å; G38-L41 WeakPolarHBondContact O-CB 3.3Å; G38-L41 WeakPolarHBondContact O-CD1 3.5Å; G38-L41 VanDerWaalsContact O-CG 3.24Å; G38-L41 WeakPolarHBondContact O-CG 3.34Å; G38-L41 PolarHBondContact O-N 2.77Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 3.46Å
42K77.7Confident85.5Confident193 Ų19381.6 Ų81.684%0.83938%0.381SS*.THydrogen-bonded Turntrans-73.8-18.4178.9-62.9-176.2-178.2-179.80113.2Q40 K44Q40-K42 PolarHBondContact O-N 3.26Å; K42-K44 PolarHBondContact O-N 3.27Å
43N76.3Confident85.7Confident77 Ų7780.7 Ų80.741%0.41238%0.375SS..  trans-73.691.8177.8-64.7-3.9000108.8Q40 L41 H45Q40-N43 HydrophobicContact CB-CB 4.42Å; Q40-N43 WeakPolarHBondContact O-CB 3.29Å; Q40-N43 PolarHBondContact O-N 2.87Å; L41-N43 VanDerWaalsContact C-N 3.28Å; L41-N43 PolarHBondContact O-N 3.46Å; N43-H45 VanDerWaalsContact C-N 3.32Å; N43-H45 PolarHBondContact O-N 3.37Å
44K67Low85.8Confident206 Ų20682.1 Ų82.190%0.89638%0.382SS*.  trans-72.886.9176.5-67.9-172.5-178.9-179.50109.5K42K42-K44 PolarHBondContact O-N 3.27Å
45H72.1Confident86Confident77 Ų7781.1 Ų81.136%0.35638%0.377SS..PPolyproline II helixtrans-78.3122.8163.5-170.559.1000108.9Y19 N43 P47Y19-H45 AromaticContact CD2-CD2 3.85Å; Y19-H45 AromaticContact CD2-CE1 3.9Å; Y19-H45 AromaticContact CD2-NE2 3.78Å; Y19-H45 AromaticContact CE2-CD2 3.76Å; Y19-H45 AromaticContact CE2-CE1 3.44Å; Y19-H45 VanDerWaalsContact CE2-CE1 3.44Å; Y19-H45 WeakPolarHBondContact CE2-CE1 2.97Å; Y19-H45 AromaticContact CE2-NE2 3.22Å; Y19-H45 WeakPolarHBondContact CE2-NE2 3.38Å; N43-H45 VanDerWaalsContact C-N 3.32Å; N43-H45 PolarHBondContact O-N 3.37Å; H45-P47 WeakPolarHBondContact O-CD 3.42Å
46K76.8Confident86Confident180 Ų18076.4 Ų76.478%0.78336%0.358SS*.PPolyproline II helixtrans-68.4122.1171.1-175.7176.9-179.21760107.4S48K46-S48 PolarHBondContact O-N 3.14Å
47P81.6Confident85.8Confident62 Ų6280.1 Ų80.140%0.40338%0.38SS..PPolyproline II helixtrans-52143.2176.2-27.235.2000111.2M15 I16 K17 H45M15-P47 HydrophobicContact SD-CB 4.22Å; I16-P47 CarbonylContact O-C 3.56Å; I16-P47 WeakPolarHBondContact O-CA 3.28Å; K17-P47 HydrophobicContact CD-CB 4.21Å; K17-P47 HydrophobicContact CD-CG 4.41Å; H45-P47 WeakPolarHBondContact O-CD 3.42Å
48S83.5Confident85.7Confident22 Ų2282.3 Ų82.315%0.15439%0.392CS..PPolyproline II helixtrans-63.6163.2175.177.80000110.4M15 I16 K46M15-S48 VanDerWaalsContact CG-O 3.3Å; M15-S48 WeakPolarHBondContact CG-O 3.35Å; I16-S48 PolarHBondContact N-OG 3.29Å; I16-S48 PolarHBondContact O-N 2.96Å; K46-S48 PolarHBondContact O-N 3.14Å
49K89.3Confident85.9Confident184 Ų18483.7 Ų83.780%0.839%0.389SS*.PPolyproline II helixtrans-64.6162.7158.2-66.3-179.5-179.7178.60108.7C51K49-C51 PolarHBondContact O-N 3.43Å
50W94.1Very high86Confident119 Ų11978.7 Ų78.745%0.45137%0.366SS..PPolyproline II helixtrans-55.7125.1165.9-73.5100000109.1S13 V14 M15 T114 K115S13-W50 WeakPolarHBondContact O-CZ3 3.38Å; V14-W50 WeakPolarHBondContact O-CA 3.42Å; M15-W50 HydrophobicContact CB-CD2 4.15Å; M15-W50 HydrophobicContact CB-CE3 4.11Å; M15-W50 HydrophobicContact CB-CZ3 4.33Å; M15-W50 HydrophobicContact CE-CD2 4.15Å; M15-W50 HydrophobicContact CE-CG 4Å; M15-W50 HydrophobicContact CE-CZ2 4.48Å; W50-T114 WeakPolarHBondContact CH2-O 3.09Å; W50-K115 HydrophobicContact CE3-CG 4.44Å; W50-K115 HydrophobicContact CH2-CB 4.47Å; W50-K115 HydrophobicContact CH2-CG 3.95Å; W50-K115 HydrophobicContact CZ3-CG 3.83Å
51C92.4Very high86.2Confident8 Ų882.5 Ų82.55%0.05438%0.379CS..EExtended strand (participates in β ladder)trans-123.2163.8-17956.80000108.6S13 V14 K49 S63 A65S13-C51 WeakPolarHBondContact CA-O 3.3Å; V14-C51 PolarHBondContact N-O 2.9Å; V14-C51 PolarHBondContact O-N 3.49Å; V14-C51 PolarHBondContact O-SG 2.71Å; K49-C51 PolarHBondContact O-N 3.43Å; C51-S63 WeakPolarHBondContact CB-O 3.04Å; C51-A65 HydrophobicContact CB-CB 3.81Å; C51-A65 WeakPolarHBondContact SG-CB 3.19Å
52R94.1Very high86.7Confident120 Ų12077.8 Ų77.845%0.45335%0.354SS..EExtended strand (participates in β ladder)trans-102.9123.2175.6-168.8178.3177.2-178.7-3.4109.1E8 S11 A12 H54 S63E8-R52 IonicContact OE1-NH2 3.26Å; E8-R52 PolarHBondContact OE1-NH2 3.29Å; S11-R52 PolarHBondContact OG-NE 3.22Å; S11-R52 PolarHBondContact OG-NH2 2.91Å; A12-R52 WeakPolarHBondContact O-CA 3.37Å; R52-H54 PolarHBondContact O-CD2 2.88Å; R52-S63 WeakPolarHBondContact CB-OG 3.11Å; R52-S63 PolarHBondContact N-O 2.78Å; R52-S63 PolarHBondContact N-OG 2.93Å; R52-S63 PolarHBondContact O-N 2.67Å; R52-S63 PolarHBondContact O-OG 2.99Å; R52-S63 VanDerWaalsContact O-OG 3.09Å
53L95.7Very high87.2Confident0 Ų070.3 Ų70.30%033%0.326CS..EExtended strand (participates in β ladder)trans-87.9118.6168.3176.462.5000107.9S11 A12 V14 I55 L60 W61 L62 W67 L123S11-L53 CarbonylContact C-O 3.48Å; S11-L53 WeakPolarHBondContact CA-O 3.22Å; S11-L53 WeakPolarHBondContact CB-O 3.31Å; A12-L53 PolarHBondContact N-O 2.92Å; A12-L53 PolarHBondContact O-N 2.75Å; V14-L53 HydrophobicContact CG1-CB 4.15Å; V14-L53 HydrophobicContact CG1-CD2 4.3Å; V14-L53 HydrophobicContact CG2-CB 3.92Å; L53-I55 HydrophobicContact CG-CG1 4.18Å; L53-L60 HydrophobicContact CD1-CB 4.08Å; L53-W61 CarbonylContact C-O 3.53Å; L53-W61 WeakPolarHBondContact CA-O 3.27Å; L53-L62 HydrophobicContact CB-CD2 4.07Å; L53-L62 HydrophobicContact CD1-CD2 3.89Å; L53-L62 HydrophobicContact CD1-CG 4.29Å; L53-W67 HydrophobicContact CD1-CH2 3.83Å; L53-W67 HydrophobicContact CD1-CZ2 3.53Å; L53-L123 HydrophobicContact CD2-CD1 3.84Å; L53-L123 HydrophobicContact CD2-CD2 4.14Å
54H94.3Very high87.6Confident31 Ų3170 Ų7014%0.14434%0.341CS..EExtended strand (participates in β ladder)trans-100.1135173.5-59.5-103.5000108.3E8 R52 L60 W61 S63E8-H54 IonicContact OE2-CE1 3.98Å; E8-H54 IonicContact OE2-CG 3.34Å; E8-H54 IonicContact OE2-ND1 3.44Å; E8-H54 PolarHBondContact OE2-ND1 2.91Å; R52-H54 PolarHBondContact O-CD2 2.88Å; H54-L60 WeakPolarHBondContact O-CA 3.47Å; H54-W61 HydrophobicContact CB-CB 4.33Å; H54-W61 HydrophobicContact CB-CE3 4.17Å; H54-W61 AromaticContact CD2-CE3 3.26Å; H54-W61 AromaticContact CD2-CZ3 3.5Å; H54-W61 AromaticContact CG-CE3 3.79Å; H54-W61 PolarHBondContact N-O 3.05Å; H54-W61 AromaticContact NE2-CE3 3.86Å; H54-W61 AromaticContact NE2-CZ3 3.58Å; H54-W61 PolarHBondContact O-N 2.8Å; H54-S63 PolarHBondContact NE2-OG 3.27Å
55I94.3Very high88.6Confident2 Ų260.4 Ų60.41%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-122114.4-175.4-50.4179.5000106.8V9 A10 L53 L60 L123 T126 L130V9-I55 PolarHBondContact N-O 3.42Å; A10-I55 HydrophobicContact CB-CB 4.38Å; A10-I55 HydrophobicContact CB-CD1 4.23Å; A10-I55 PolarHBondContact N-O 2.87Å; A10-I55 WeakPolarHBondContact O-CB 3.4Å; A10-I55 PolarHBondContact O-N 2.72Å; L53-I55 HydrophobicContact CG-CG1 4.18Å; I55-L60 HydrophobicContact CB-CD2 4.07Å; I55-L60 HydrophobicContact CG1-CD2 3.84Å; I55-L60 HydrophobicContact CG2-CD2 3.7Å; I55-L123 HydrophobicContact CD1-CD1 3.37Å; I55-T126 HydrophobicContact CD1-CG2 4.2Å; I55-T126 HydrophobicContact CG2-CG2 4.02Å; I55-L130 HydrophobicContact CG2-CD1 3.42Å; I55-L130 VanDerWaalsContact CG2-CD1 3.42Å
56T90.6Very high89.4Confident16 Ų1661.9 Ų61.910%0.09830%0.304CS..  trans-101-176.7170.964.90000109.6G6 D58 E59 L130G6-T56 WeakPolarHBondContact O-CG2 3.49Å; T56-D58 WeakPolarHBondContact CB-OD1 3.4Å; T56-D58 PolarHBondContact O-N 2.69Å; T56-D58 PolarHBondContact OG1-OD1 3.17Å; T56-E59 PolarHBondContact N-O 3.19Å; T56-E59 WeakPolarHBondContact OG1-CA 3.31Å; T56-E59 PolarHBondContact OG1-N 3.16Å; T56-E59 PolarHBondContact OG1-O 3.3Å; T56-E59 VanDerWaalsContact OG1-O 3.11Å; T56-L130 WeakPolarHBondContact O-CD1 3.3Å
57N88.5Confident89.9Confident104 Ų10453.4 Ų53.456%0.55627%0.267SS*.SBendtrans-68.3-14.9177.8-70.4-41.9000113.6V9 L78V9-N57 WeakPolarHBondContact CG2-OD1 3.28Å; N57-L78 VanDerWaalsContact O-CD1 3.26Å; N57-L78 WeakPolarHBondContact O-CD1 3.4Å
58D87.3Confident90.2Very high63 Ų6351.2 Ų51.234%0.33725%0.251SS..SBendtrans-134.9-23.5-167.756-22.7000113.4T56 H77 L78T56-D58 WeakPolarHBondContact CB-OD1 3.4Å; T56-D58 PolarHBondContact O-N 2.69Å; T56-D58 PolarHBondContact OG1-OD1 3.17Å; D58-H77 CarbonylContact O-C 3.55Å; D58-H77 WeakPolarHBondContact O-CA 3.45Å; D58-H77 PolarHBondContact O-CD2 3.23Å; D58-H77 PolarHBondContact O-NE2 3.5Å; D58-L78 WeakPolarHBondContact O-CG 3.47Å; D58-L78 PolarHBondContact O-N 3.03Å
59E90.6Very high89.9Confident64 Ų6452.7 Ų52.730%0.29926%0.26SS..EExtended strand (participates in β ladder)trans-137.5153.9-172.5-60.9-171148.200113.3T56 I76T56-E59 PolarHBondContact N-O 3.19Å; T56-E59 WeakPolarHBondContact OG1-CA 3.31Å; T56-E59 PolarHBondContact OG1-N 3.16Å; T56-E59 PolarHBondContact OG1-O 3.3Å; T56-E59 VanDerWaalsContact OG1-O 3.11Å; E59-I76 CarbonylContact C-O 3.5Å; E59-I76 VanDerWaalsContact CA-O 3.29Å; E59-I76 WeakPolarHBondContact CA-O 3.23Å
60L91.9Very high89.1Confident0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-111.3122.9166.7-61-173.2000109.8L53 H54 I55 W67 G75 I76 L78 I81 L127L53-L60 HydrophobicContact CD1-CB 4.08Å; H54-L60 WeakPolarHBondContact O-CA 3.47Å; I55-L60 HydrophobicContact CB-CD2 4.07Å; I55-L60 HydrophobicContact CG1-CD2 3.84Å; I55-L60 HydrophobicContact CG2-CD2 3.7Å; L60-W67 HydrophobicContact CB-CH2 4.3Å; L60-W67 HydrophobicContact CB-CZ2 3.63Å; L60-W67 HydrophobicContact CD1-CH2 4.07Å; L60-W67 HydrophobicContact CD1-CZ2 4.24Å; L60-W67 PolarHBondContact O-NE1 2.88Å; L60-G75 CarbonylContact O-C 3.53Å; L60-G75 VanDerWaalsContact O-CA 3.26Å; L60-G75 WeakPolarHBondContact O-CA 3.25Å; L60-I76 HydrophobicContact CB-CD1 4.47Å; L60-I76 HydrophobicContact CB-CG1 3.87Å; L60-I76 HydrophobicContact CD1-CD1 4.31Å; L60-I76 PolarHBondContact N-O 3.29Å; L60-I76 PolarHBondContact O-N 3.48Å; L60-L78 HydrophobicContact CD2-CD2 3.92Å; L60-L78 HydrophobicContact CG-CD2 3.92Å; L60-I81 HydrophobicContact CD1-CD1 3.41Å; L60-I81 VanDerWaalsContact CD1-CD1 3.41Å; L60-I81 HydrophobicContact CD1-CG1 4.35Å; L60-I81 HydrophobicContact CG-CD1 4.1Å; L60-L127 HydrophobicContact CD1-CD2 3.86Å; L60-L127 HydrophobicContact CD2-CD2 3.56Å; L60-L127 HydrophobicContact CG-CD2 4.25Å
61W91.1Very high88.2Confident104 Ų10444.3 Ų44.339%0.39423%0.233SC..EExtended strand (participates in β ladder)trans-122.8132.2-177.3-173.484.6000112.6L53 H54 S63 N74L53-W61 CarbonylContact C-O 3.53Å; L53-W61 WeakPolarHBondContact CA-O 3.27Å; H54-W61 HydrophobicContact CB-CB 4.33Å; H54-W61 HydrophobicContact CB-CE3 4.17Å; H54-W61 AromaticContact CD2-CE3 3.26Å; H54-W61 AromaticContact CD2-CZ3 3.5Å; H54-W61 AromaticContact CG-CE3 3.79Å; H54-W61 PolarHBondContact N-O 3.05Å; H54-W61 AromaticContact NE2-CE3 3.86Å; H54-W61 AromaticContact NE2-CZ3 3.58Å; H54-W61 PolarHBondContact O-N 2.8Å; W61-S63 VanDerWaalsContact CZ3-CB 3.47Å; W61-N74 CarbonylContact C-O 3.56Å; W61-N74 VanDerWaalsContact CA-O 3.27Å; W61-N74 WeakPolarHBondContact CA-O 3.28Å; W61-N74 HydrophobicContact CG-CB 4.44Å; W61-N74 HydrophobicContact CZ2-CB 4.46Å
62L91Very high87.3Confident1 Ų148.3 Ų48.31%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-102.9125.8177.8-71166.8000111.2V14 I16 L53 A65 W67 N74V14-L62 HydrophobicContact CG2-CD2 3.89Å; I16-L62 HydrophobicContact CD1-CD1 3.81Å; L53-L62 HydrophobicContact CB-CD2 4.07Å; L53-L62 HydrophobicContact CD1-CD2 3.89Å; L53-L62 HydrophobicContact CD1-CG 4.29Å; L62-A65 HydrophobicContact CB-CB 4.37Å; L62-A65 WeakPolarHBondContact CB-O 3.15Å; L62-A65 HydrophobicContact CD1-CB 4.32Å; L62-W67 HydrophobicContact CD1-CD2 3.61Å; L62-W67 VanDerWaalsContact CD1-CE2 3.44Å; L62-W67 HydrophobicContact CD1-CE3 4.07Å; L62-W67 HydrophobicContact CD1-CG 4Å; L62-W67 HydrophobicContact CD1-CH2 4.24Å; L62-W67 HydrophobicContact CD1-CZ2 3.78Å; L62-W67 HydrophobicContact CD1-CZ3 4.37Å; L62-W67 HydrophobicContact CD2-CZ2 4.28Å; L62-W67 HydrophobicContact CG-CD2 4.37Å; L62-W67 HydrophobicContact CG-CH2 4.36Å; L62-W67 HydrophobicContact CG-CZ2 3.68Å; L62-N74 PolarHBondContact N-O 2.82Å; L62-N74 WeakPolarHBondContact O-CB 3.5Å
63S88.9Confident86.3Confident36 Ų3644.3 Ų44.325%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-92.8115.9166.2540000111.1C51 R52 H54 W61C51-S63 WeakPolarHBondContact CB-O 3.04Å; R52-S63 WeakPolarHBondContact CB-OG 3.11Å; R52-S63 PolarHBondContact N-O 2.78Å; R52-S63 PolarHBondContact N-OG 2.93Å; R52-S63 PolarHBondContact O-N 2.67Å; R52-S63 PolarHBondContact O-OG 2.99Å; R52-S63 VanDerWaalsContact O-OG 3.09Å; H54-S63 PolarHBondContact NE2-OG 3.27Å; W61-S63 VanDerWaalsContact CZ3-CB 3.47Å
64G84.8Confident85.6Confident70 Ų7046.1 Ų46.172%0.72225%0.25SC*.SBendtrans84.810.7176.900000114.9
65A87.7Confident85.3Confident5 Ų545.7 Ų45.74%0.04125%0.254CS..  trans-147.4171.7170.100000110I16 C51 L62 N74I16-A65 HydrophobicContact CD1-CB 3.79Å; I16-A65 HydrophobicContact CG1-CB 4.42Å; C51-A65 HydrophobicContact CB-CB 3.81Å; C51-A65 WeakPolarHBondContact SG-CB 3.19Å; L62-A65 HydrophobicContact CB-CB 4.37Å; L62-A65 WeakPolarHBondContact CB-O 3.15Å; L62-A65 HydrophobicContact CD1-CB 4.32Å; A65-N74 PolarHBondContact O-OD1 2.94Å
66Y88.5Confident85Confident109 Ų10945.8 Ų45.843%0.42725%0.254SS..  trans-128.1154-173.9-55.8-76.7000109.8I16 Y19 S71 N74I16-Y66 WeakPolarHBondContact CD1-O 3.46Å; Y19-Y66 PolarHBondContact OH-O 3.11Å; Y66-S71 WeakPolarHBondContact CD1-O 3.3Å; Y66-S71 WeakPolarHBondContact CE1-O 3.29Å; Y66-N74 WeakPolarHBondContact CD1-OD1 3.43Å; Y66-N74 WeakPolarHBondContact CE1-OD1 3.27Å
67W87.6Confident84.9Confident1 Ų147.7 Ų47.70%0.00426%0.262CS..SBendtrans-78.3-25.5177.7-71.3104.7000113.2Y19 L53 L60 L62 L73 N74 I76 I96 I98 Q108 V110Y19-W67 WeakPolarHBondContact CE1-O 3.5Å; L53-W67 HydrophobicContact CD1-CH2 3.83Å; L53-W67 HydrophobicContact CD1-CZ2 3.53Å; L60-W67 HydrophobicContact CB-CH2 4.3Å; L60-W67 HydrophobicContact CB-CZ2 3.63Å; L60-W67 HydrophobicContact CD1-CH2 4.07Å; L60-W67 HydrophobicContact CD1-CZ2 4.24Å; L60-W67 PolarHBondContact O-NE1 2.88Å; L62-W67 HydrophobicContact CD1-CD2 3.61Å; L62-W67 VanDerWaalsContact CD1-CE2 3.44Å; L62-W67 HydrophobicContact CD1-CE3 4.07Å; L62-W67 HydrophobicContact CD1-CG 4Å; L62-W67 HydrophobicContact CD1-CH2 4.24Å; L62-W67 HydrophobicContact CD1-CZ2 3.78Å; L62-W67 HydrophobicContact CD1-CZ3 4.37Å; L62-W67 HydrophobicContact CD2-CZ2 4.28Å; L62-W67 HydrophobicContact CG-CD2 4.37Å; L62-W67 HydrophobicContact CG-CH2 4.36Å; L62-W67 HydrophobicContact CG-CZ2 3.68Å; W67-L73 PolarHBondContact N-O 3.22Å; W67-N74 VanDerWaalsContact CD1-C 3.47Å; W67-N74 PolarHBondContact NE1-O 3.34Å; W67-I76 HydrophobicContact CB-CG2 3.89Å; W67-I76 HydrophobicContact CD2-CD1 3.71Å; W67-I76 HydrophobicContact CD2-CG1 4Å; W67-I76 HydrophobicContact CD2-CG2 4.23Å; W67-I76 HydrophobicContact CE3-CD1 3.82Å; W67-I76 HydrophobicContact CG-CD1 4.25Å; W67-I76 HydrophobicContact CG-CG1 4.26Å; W67-I76 HydrophobicContact CG-CG2 3.63Å; W67-I76 HydrophobicContact CH2-CD1 4.18Å; W67-I76 HydrophobicContact CZ2-CD1 4.07Å; W67-I76 HydrophobicContact CZ2-CG1 4.14Å; W67-I76 HydrophobicContact CZ3-CD1 4.05Å; W67-I96 HydrophobicContact CH2-CD1 4.41Å; W67-I96 HydrophobicContact CZ3-CD1 4.32Å; W67-I98 HydrophobicContact CB-CD1 4.18Å; W67-I98 HydrophobicContact CE3-CD1 4.47Å; W67-Q108 PolarHBondContact O-NE2 3.24Å; W67-V110 HydrophobicContact CE3-CB 4.46Å; W67-V110 HydrophobicContact CE3-CG1 4.41Å; W67-V110 HydrophobicContact CE3-CG2 4.09Å; W67-V110 HydrophobicContact CZ3-CG1 4.45Å
68W86.9Confident84.9Confident16 Ų1643 Ų436%0.06124%0.237CC..SBendtrans-124.8147.9-178.6-54.987.9000110.7N70 S71 I98 E106 Q108W68-N70 PolarHBondContact O-N 3.42Å; W68-S71 WeakPolarHBondContact O-CB 3.26Å; W68-S71 PolarHBondContact O-N 2.87Å; W68-S71 VanDerWaalsContact O-N 3.16Å; W68-I98 HydrophobicContact CD2-CD1 4.38Å; W68-I98 HydrophobicContact CH2-CD1 4.16Å; W68-I98 HydrophobicContact CH2-CG1 3.99Å; W68-I98 HydrophobicContact CZ2-CD1 3.66Å; W68-I98 HydrophobicContact CZ2-CG1 3.85Å; W68-E106 HydrophobicContact CH2-CB 3.93Å; W68-E106 VanDerWaalsContact CH2-O 3.26Å; W68-E106 WeakPolarHBondContact CH2-O 3.3Å; W68-E106 HydrophobicContact CZ3-CB 3.91Å; W68-Q108 HydrophobicContact CD2-CG 4.5Å; W68-Q108 HydrophobicContact CE3-CG 3.73Å; W68-Q108 HydrophobicContact CH2-CB 4.49Å; W68-Q108 HydrophobicContact CH2-CG 3.75Å; W68-Q108 HydrophobicContact CZ3-CB 3.9Å; W68-Q108 HydrophobicContact CZ3-CG 3.3Å
69P78.8Confident84.9Confident54 Ų5442.5 Ų42.535%0.35124%0.238SC..THydrogen-bonded Turntrans-53131.1171.4-22.231.5000110.8Y19 S71Y19-P69 HydrophobicContact CD2-CG 3.74Å; Y19-P69 HydrophobicContact CE2-CG 4.36Å; Y19-P69 HydrophobicContact CG-CG 3.84Å; P69-S71 PolarHBondContact O-N 2.94Å; P69-S71 VanDerWaalsContact O-N 3.09Å
70N72.4Confident84.8Confident123 Ų12340.1 Ų40.166%0.65823%0.227SC*.THydrogen-bonded Turntrans56.924.7177.8-48.5-40.6000114.4W68 R295W68-N70 PolarHBondContact O-N 3.42Å; N70-R295 PolarHBondContact O-NH1 2.78Å
71S75.1Confident84.8Confident4 Ų440.5 Ų40.53%0.02823%0.229CC..  trans-95153.8173-172.40000111.8Y66 W68 P69 L73 R295Y66-S71 WeakPolarHBondContact CD1-O 3.3Å; Y66-S71 WeakPolarHBondContact CE1-O 3.29Å; W68-S71 WeakPolarHBondContact O-CB 3.26Å; W68-S71 PolarHBondContact O-N 2.87Å; W68-S71 VanDerWaalsContact O-N 3.16Å; P69-S71 PolarHBondContact O-N 2.94Å; P69-S71 VanDerWaalsContact O-N 3.09Å; S71-L73 VanDerWaalsContact OG-CB 3.31Å; S71-L73 WeakPolarHBondContact OG-CB 3.49Å; S71-L73 PolarHBondContact OG-N 2.59Å; S71-R295 VanDerWaalsContact CA-NH1 3.27Å
72I72.4Confident84.8Confident91 Ų9136.7 Ų36.747%0.46722%0.217SC..  trans-95.5-3.816860.4169.3000111.2N74 R295 M297I72-N74 PolarHBondContact O-N 2.62Å; I72-N74 VanDerWaalsContact O-N 3.16Å; I72-N74 PolarHBondContact O-OD1 3.14Å; I72-R295 WeakPolarHBondContact CD1-O 3.41Å; I72-M297 HydrophobicContact CD1-CG 4.33Å
73L74.3Confident84.9Confident37 Ų3736.7 Ų36.719%0.19422%0.216CC..  trans-73.8105.1176.4-71.6176.5000110.2W67 S71 M297W67-L73 PolarHBondContact N-O 3.22Å; S71-L73 VanDerWaalsContact OG-CB 3.31Å; S71-L73 WeakPolarHBondContact OG-CB 3.49Å; S71-L73 PolarHBondContact OG-N 2.59Å; L73-M297 HydrophobicContact CD1-CE 3.82Å; L73-M297 HydrophobicContact CD2-CE 3.49Å; L73-M297 VanDerWaalsContact CD2-CE 3.49Å; L73-M297 HydrophobicContact CD2-SD 3.42Å; L73-M297 WeakPolarHBondContact CD2-SD 3.36Å; L73-M297 HydrophobicContact CG-CE 3.56Å; L73-M297 HydrophobicContact CG-SD 4.13Å
74N80.7Confident85.1Confident38 Ų3835 Ų3520%0.20321%0.205CC..  trans-88.6-20.4171.8-66.11.2000111.8W61 L62 A65 Y66 W67 I72W61-N74 CarbonylContact C-O 3.56Å; W61-N74 VanDerWaalsContact CA-O 3.27Å; W61-N74 WeakPolarHBondContact CA-O 3.28Å; W61-N74 HydrophobicContact CG-CB 4.44Å; W61-N74 HydrophobicContact CZ2-CB 4.46Å; L62-N74 PolarHBondContact N-O 2.82Å; L62-N74 WeakPolarHBondContact O-CB 3.5Å; A65-N74 PolarHBondContact O-OD1 2.94Å; Y66-N74 WeakPolarHBondContact CD1-OD1 3.43Å; Y66-N74 WeakPolarHBondContact CE1-OD1 3.27Å; W67-N74 VanDerWaalsContact CD1-C 3.47Å; W67-N74 PolarHBondContact NE1-O 3.34Å; I72-N74 PolarHBondContact O-N 2.62Å; I72-N74 VanDerWaalsContact O-N 3.16Å; I72-N74 PolarHBondContact O-OD1 3.14Å
75G87Confident85.5Confident22 Ų2231.7 Ų31.723%0.22717%0.17CC..EExtended strand (participates in β ladder)trans-107.1141.1-178.600000111.9L60L60-G75 CarbonylContact O-C 3.53Å; L60-G75 VanDerWaalsContact O-CA 3.26Å; L60-G75 WeakPolarHBondContact O-CA 3.25Å
76I89.2Confident85.7Confident3 Ų332.5 Ų32.52%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-129.5147.2162.257.8175.2000108.7E59 L60 W67 I81 I98E59-I76 CarbonylContact C-O 3.5Å; E59-I76 VanDerWaalsContact CA-O 3.29Å; E59-I76 WeakPolarHBondContact CA-O 3.23Å; L60-I76 HydrophobicContact CB-CD1 4.47Å; L60-I76 HydrophobicContact CB-CG1 3.87Å; L60-I76 HydrophobicContact CD1-CD1 4.31Å; L60-I76 PolarHBondContact N-O 3.29Å; L60-I76 PolarHBondContact O-N 3.48Å; W67-I76 HydrophobicContact CB-CG2 3.89Å; W67-I76 HydrophobicContact CD2-CD1 3.71Å; W67-I76 HydrophobicContact CD2-CG1 4Å; W67-I76 HydrophobicContact CD2-CG2 4.23Å; W67-I76 HydrophobicContact CE3-CD1 3.82Å; W67-I76 HydrophobicContact CG-CD1 4.25Å; W67-I76 HydrophobicContact CG-CG1 4.26Å; W67-I76 HydrophobicContact CG-CG2 3.63Å; W67-I76 HydrophobicContact CH2-CD1 4.18Å; W67-I76 HydrophobicContact CZ2-CD1 4.07Å; W67-I76 HydrophobicContact CZ2-CG1 4.14Å; W67-I76 HydrophobicContact CZ3-CD1 4.05Å; I76-I81 HydrophobicContact CD1-CG1 4.42Å; I76-I98 HydrophobicContact CD1-CG2 3.68Å
77H89.1Confident85.6Confident56 Ų5627.3 Ų27.326%0.25915%0.153SC..EExtended strand (participates in β ladder)trans-76.3149.3173.9-168-98.6000110.4D58 S79 E80D58-H77 CarbonylContact O-C 3.55Å; D58-H77 WeakPolarHBondContact O-CA 3.45Å; D58-H77 PolarHBondContact O-CD2 3.23Å; D58-H77 PolarHBondContact O-NE2 3.5Å; H77-S79 VanDerWaalsContact ND1-CB 3.31Å; H77-S79 WeakPolarHBondContact ND1-CB 3.45Å; H77-S79 PolarHBondContact ND1-N 2.88Å; H77-S79 VanDerWaalsContact ND1-N 3.17Å; H77-S79 PolarHBondContact ND1-OG 3.42Å; H77-S79 PolarHBondContact O-N 2.84Å; H77-S79 VanDerWaalsContact O-N 3.16Å; H77-E80 HydrophobicContact CB-CG 4.3Å; H77-E80 PolarHBondContact N-OE1 3.05Å; H77-E80 VanDerWaalsContact O-CB 3.29Å; H77-E80 WeakPolarHBondContact O-CB 3.21Å; H77-E80 PolarHBondContact O-N 3.23Å
78L88.1Confident85.4Confident7 Ų732.2 Ų32.24%0.03717%0.172CC..G310 helixtrans-59.6-28.4178.4-71.8177.3000112.4N57 D58 L60 E80 I81 L127 L130N57-L78 VanDerWaalsContact O-CD1 3.26Å; N57-L78 WeakPolarHBondContact O-CD1 3.4Å; D58-L78 WeakPolarHBondContact O-CG 3.47Å; D58-L78 PolarHBondContact O-N 3.03Å; L60-L78 HydrophobicContact CD2-CD2 3.92Å; L60-L78 HydrophobicContact CG-CD2 3.92Å; L78-E80 PolarHBondContact O-N 3.11Å; L78-I81 HydrophobicContact CD2-CD1 3.73Å; L78-I81 WeakPolarHBondContact O-CB 3.26Å; L78-I81 PolarHBondContact O-N 2.59Å; L78-L127 HydrophobicContact CD2-CD2 4.23Å; L78-L130 HydrophobicContact CD1-CB 3.75Å; L78-L130 HydrophobicContact CD1-CD1 4.27Å
79S86.7Confident85.2Confident52 Ų5234.1 Ų34.136%0.36419%0.188SC..G310 helixtrans-68.4-14.8174.471.80000114.1H77 I81H77-S79 VanDerWaalsContact ND1-CB 3.31Å; H77-S79 WeakPolarHBondContact ND1-CB 3.45Å; H77-S79 PolarHBondContact ND1-N 2.88Å; H77-S79 VanDerWaalsContact ND1-N 3.17Å; H77-S79 PolarHBondContact ND1-OG 3.42Å; H77-S79 PolarHBondContact O-N 2.84Å; H77-S79 VanDerWaalsContact O-N 3.16Å; S79-I81 VanDerWaalsContact C-N 3.29Å
80E89.5Confident85.5Confident14 Ų1432.6 Ų32.67%0.06518%0.178CC..G310 helixtrans-81.8-14.1175.6-65.2-179.7-99.800111.5H77 L78 N82 I98 A99 S100 R101H77-E80 HydrophobicContact CB-CG 4.3Å; H77-E80 PolarHBondContact N-OE1 3.05Å; H77-E80 VanDerWaalsContact O-CB 3.29Å; H77-E80 WeakPolarHBondContact O-CB 3.21Å; H77-E80 PolarHBondContact O-N 3.23Å; L78-E80 PolarHBondContact O-N 3.11Å; E80-N82 PolarHBondContact O-N 2.92Å; E80-N82 PolarHBondContact O-ND2 3.07Å; E80-I98 VanDerWaalsContact O-CA 3.3Å; E80-I98 WeakPolarHBondContact O-CA 3.22Å; E80-A99 VanDerWaalsContact CB-O 3.26Å; E80-A99 WeakPolarHBondContact CB-O 3.5Å; E80-A99 WeakPolarHBondContact CG-O 3.39Å; E80-A99 PolarHBondContact O-N 3.43Å; E80-S100 WeakPolarHBondContact OE2-CA 3.39Å; E80-R101 HydrophobicContact CG-CB 3.91Å; E80-R101 HydrophobicContact CG-CG 4.23Å; E80-R101 IonicContact OE1-NE 3.14Å; E80-R101 PolarHBondContact OE2-N 3.2Å
81I91.3Very high86.3Confident7 Ų730 Ų304%0.03617%0.167CC..EExtended strand (participates in β ladder)trans-80.8118.9176.6-49.2175.2000108.9L60 I76 L78 S79 L84 I96 L127 L158L60-I81 HydrophobicContact CD1-CD1 3.41Å; L60-I81 VanDerWaalsContact CD1-CD1 3.41Å; L60-I81 HydrophobicContact CD1-CG1 4.35Å; L60-I81 HydrophobicContact CG-CD1 4.1Å; I76-I81 HydrophobicContact CD1-CG1 4.42Å; L78-I81 HydrophobicContact CD2-CD1 3.73Å; L78-I81 WeakPolarHBondContact O-CB 3.26Å; L78-I81 PolarHBondContact O-N 2.59Å; S79-I81 VanDerWaalsContact C-N 3.29Å; I81-L84 HydrophobicContact CG2-CD2 3.98Å; I81-I96 HydrophobicContact CG2-CG2 3.8Å; I81-L127 HydrophobicContact CD1-CD2 4.33Å; I81-L158 HydrophobicContact CB-CD1 4.01Å; I81-L158 HydrophobicContact CG2-CD1 3.51Å; I81-L158 WeakPolarHBondContact O-CD1 3.47Å
82N91.3Very high87.1Confident25 Ų2532.1 Ų32.113%0.13418%0.178CC..EExtended strand (participates in β ladder)trans-108.5-25.1-178.1-75.2-97.1000112.7F28 E80 G97 A99 L158F28-N82 HydrophobicContact CB-CB 4.18Å; F28-N82 HydrophobicContact CD1-CB 4.07Å; F28-N82 HydrophobicContact CD2-CB 3.32Å; F28-N82 HydrophobicContact CE1-CB 4.29Å; F28-N82 HydrophobicContact CE2-CB 3.59Å; F28-N82 HydrophobicContact CG-CB 3.58Å; F28-N82 HydrophobicContact CZ-CB 4.07Å; E80-N82 PolarHBondContact O-N 2.92Å; E80-N82 PolarHBondContact O-ND2 3.07Å; N82-G97 PolarHBondContact N-O 2.97Å; N82-A99 WeakPolarHBondContact ND2-CB 3.37Å; N82-L158 WeakPolarHBondContact O-CB 3.38Å; N82-L158 PolarHBondContact O-N 2.78Å
83C92.3Very high88.1Confident0 Ų028.3 Ų28.30%016%0.159CC..EExtended strand (participates in β ladder)trans-156.8146.2-177.5-176.60000111.9F28 G97 Y109 E155 I156F28-C83 HydrophobicContact CB-CB 3.93Å; C83-G97 PolarHBondContact N-O 3.09Å; C83-G97 PolarHBondContact O-N 2.82Å; C83-Y109 HydrophobicContact CB-CE1 4.24Å; C83-E155 VanDerWaalsContact SG-CG 3.59Å; C83-I156 CarbonylContact C-O 3.51Å; C83-I156 WeakPolarHBondContact CA-O 3.27Å
84L93.9Very high89.1Confident1 Ų126.6 Ų26.61%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-121128.9169.5-56.1175.2000109.2I81 L94 I96 L127 T128 I156I81-L84 HydrophobicContact CG2-CD2 3.98Å; L84-L94 HydrophobicContact CB-CD1 4.39Å; L84-I96 HydrophobicContact CD2-CB 4.33Å; L84-I96 HydrophobicContact CD2-CG1 3.95Å; L84-I96 HydrophobicContact CD2-CG2 3.97Å; L84-L127 HydrophobicContact CD1-CB 3.92Å; L84-L127 HydrophobicContact CD1-CD1 4.16Å; L84-L127 HydrophobicContact CD2-CD1 3.91Å; L84-T128 HydrophobicContact CD1-CG2 4.16Å; L84-I156 HydrophobicContact CB-CB 4.26Å; L84-I156 PolarHBondContact N-O 3.05Å; L84-I156 PolarHBondContact O-N 2.9Å
85V92.8Very high89.7Confident0 Ų024.8 Ų24.80%014%0.14CC..EExtended strand (participates in β ladder)trans-123.7115.7-176.4-174.20000110L33 F87 A95 Y109 I153 V154 E155L33-V85 HydrophobicContact CD2-CB 4.15Å; L33-V85 HydrophobicContact CD2-CG1 3.99Å; L33-V85 HydrophobicContact CD2-CG2 4.13Å; V85-F87 HydrophobicContact CG1-CE1 4.25Å; V85-F87 HydrophobicContact CG1-CZ 4.09Å; V85-A95 HydrophobicContact CB-CB 4.17Å; V85-A95 PolarHBondContact N-O 2.92Å; V85-A95 PolarHBondContact O-N 2.95Å; V85-Y109 HydrophobicContact CG2-CE1 3.93Å; V85-I153 HydrophobicContact CG1-CG2 3.23Å; V85-V154 CarbonylContact C-O 3.57Å; V85-V154 WeakPolarHBondContact CA-O 3.47Å; V85-E155 HydrophobicContact CG2-CG 4.34Å
86K91.1Very high90.1Very high23 Ų2323.7 Ų23.710%0.113%0.129CC..EExtended strand (participates in β ladder)trans-95.9145176.4-54.6-169.6-72.3-1780110.6L94 E121 V124 I153 V154K86-L94 HydrophobicContact CG-CD1 4.26Å; K86-E121 IonicContact NZ-OE1 3.3Å; K86-E121 PolarHBondContact NZ-OE1 2.9Å; K86-E121 IonicContact NZ-OE2 2.97Å; K86-E121 PolarHBondContact NZ-OE2 2.92Å; K86-V124 HydrophobicContact CD-CG1 4.27Å; K86-V124 HydrophobicContact CD-CG2 4.03Å; K86-V124 HydrophobicContact CG-CG2 4.22Å; K86-I153 VanDerWaalsContact O-CA 3.31Å; K86-I153 WeakPolarHBondContact O-CA 3.36Å; K86-V154 HydrophobicContact CB-CB 4.17Å; K86-V154 PolarHBondContact N-O 3.41Å; K86-V154 PolarHBondContact O-N 3.2Å
87F87.8Confident90.4Very high0 Ų023.6 Ų23.60%013%0.128CC..EExtended strand (participates in β ladder)trans-114.3119.8176.4-52.2-86.5000109.4L33 V85 T90 L93 A95 R120 I146 V151 I153L33-F87 HydrophobicContact CD2-CZ 4.11Å; V85-F87 HydrophobicContact CG1-CE1 4.25Å; V85-F87 HydrophobicContact CG1-CZ 4.09Å; F87-T90 CarbonylContact O-C 3.58Å; F87-T90 VanDerWaalsContact O-C 3.26Å; F87-T90 PolarHBondContact O-N 3.12Å; F87-L93 HydrophobicContact CD2-CB 3.81Å; F87-L93 HydrophobicContact CD2-CD2 3.62Å; F87-L93 HydrophobicContact CD2-CG 3.85Å; F87-L93 HydrophobicContact CE2-CB 4.49Å; F87-L93 HydrophobicContact CE2-CD2 3.77Å; F87-L93 HydrophobicContact CE2-CG 4.05Å; F87-L93 HydrophobicContact CG-CD2 4.18Å; F87-L93 HydrophobicContact CZ-CD2 4.45Å; F87-A95 HydrophobicContact CE2-CB 3.95Å; F87-A95 HydrophobicContact CZ-CB 3.99Å; F87-R120 PolarHBondContact O-NH1 2.95Å; F87-I146 HydrophobicContact CD1-CD1 4.36Å; F87-I146 HydrophobicContact CD1-CG2 4.39Å; F87-I146 HydrophobicContact CE1-CB 4.48Å; F87-I146 HydrophobicContact CE1-CD1 3.77Å; F87-I146 HydrophobicContact CE1-CG2 3.82Å; F87-I146 HydrophobicContact CZ-CG2 4.23Å; F87-V151 HydrophobicContact CB-CG1 4.28Å; F87-V151 HydrophobicContact CD1-CG1 3.65Å; F87-V151 HydrophobicContact CG-CG1 4.45Å; F87-I153 HydrophobicContact CD1-CD1 4.17Å; F87-I153 HydrophobicContact CD1-CG1 4.05Å; F87-I153 HydrophobicContact CE1-CD1 4.01Å; F87-I153 HydrophobicContact CE1-CG1 4.36Å
88Y82.9Confident90.6Very high103 Ų10321 Ų2140%0.40412%0.116SC..SBendtrans-73-36.4-179.7-77.8-76.9000112.7T90 E139 N152 V154Y88-T90 PolarHBondContact O-N 3.13Å; Y88-E139 HydrophobicContact CE2-CG 4.19Å; Y88-E139 WeakPolarHBondContact CE2-OE1 3.31Å; Y88-N152 HydrophobicContact CD2-CB 3.5Å; Y88-N152 VanDerWaalsContact CD2-CB 3.5Å; Y88-N152 HydrophobicContact CE2-CB 4.39Å; Y88-N152 HydrophobicContact CG-CB 4.11Å; Y88-N152 PolarHBondContact N-O 2.84Å; Y88-V154 HydrophobicContact CD2-CG2 4.04Å; Y88-V154 HydrophobicContact CE1-CG2 4.43Å; Y88-V154 HydrophobicContact CE2-CG2 3.11Å; Y88-V154 WeakPolarHBondContact OH-CG2 3.48Å
89S82.5Confident90.7Very high57 Ų5721.5 Ų21.540%0.39912%0.122SC..SBendtrans-66.9-16.8176.656.70000112.5
90T85.8Confident90.7Very high22 Ų2219.4 Ų19.414%0.13511%0.107CC..SBendtrans-137.282.7-179.4-48.50000109.2F87 Y88 N92 L93 V147F87-T90 CarbonylContact O-C 3.58Å; F87-T90 VanDerWaalsContact O-C 3.26Å; F87-T90 PolarHBondContact O-N 3.12Å; Y88-T90 PolarHBondContact O-N 3.13Å; T90-N92 VanDerWaalsContact CG2-OD1 3.28Å; T90-N92 WeakPolarHBondContact CG2-OD1 3.32Å; T90-N92 PolarHBondContact O-N 2.82Å; T90-L93 HydrophobicContact CG2-CB 3.79Å; T90-L93 PolarHBondContact O-N 2.9Å; T90-V147 HydrophobicContact CG2-CG1 4.24Å; T90-V147 VanDerWaalsContact OG1-CB 3.3Å; T90-V147 WeakPolarHBondContact OG1-CB 2.87Å; T90-V147 VanDerWaalsContact OG1-CG1 3.22Å; T90-V147 WeakPolarHBondContact OG1-CG1 3.42Å
91P87.9Confident90.2Very high67 Ų6725.9 Ų25.944%0.43513%0.131SC..THydrogen-bonded Turntrans-63.9-21.5-165.523.7-34.6000114G117 R120P91-G117 VanDerWaalsContact O-CA 3.27Å; P91-G117 WeakPolarHBondContact O-CA 3.39Å; P91-R120 WeakPolarHBondContact O-CD 3.22Å; P91-R120 PolarHBondContact O-NE 3.42Å; P91-R120 VanDerWaalsContact O-NE 3.09Å; P91-R120 PolarHBondContact O-NH1 2.82Å
92N92.7Very high89.6Confident49 Ų4928.3 Ų28.326%0.26214%0.144SC..THydrogen-bonded Turntrans-90.50.1177.561-26.2000114.2T90 C113 T114T90-N92 VanDerWaalsContact CG2-OD1 3.28Å; T90-N92 WeakPolarHBondContact CG2-OD1 3.32Å; T90-N92 PolarHBondContact O-N 2.82Å; N92-C113 PolarHBondContact ND2-SG 3.48Å; N92-C113 CarbonylContact O-C 3.5Å; N92-C113 VanDerWaalsContact O-CA 3.3Å; N92-C113 WeakPolarHBondContact O-CA 3.27Å; N92-T114 WeakPolarHBondContact CB-O 3.48Å; N92-T114 PolarHBondContact O-N 2.92Å; N92-T114 PolarHBondContact O-OG1 3.49Å; N92-T114 VanDerWaalsContact O-OG1 3.12Å
93L93Very high88.9Confident12 Ų1229.2 Ų29.26%0.06315%0.146CC..EExtended strand (participates in β ladder)trans-97.3139.4-179.8-157.676.4000111.6K17 F87 T90 I111 L112 C113 R120 V147K17-L93 HydrophobicContact CG-CD1 4.27Å; F87-L93 HydrophobicContact CD2-CB 3.81Å; F87-L93 HydrophobicContact CD2-CD2 3.62Å; F87-L93 HydrophobicContact CD2-CG 3.85Å; F87-L93 HydrophobicContact CE2-CB 4.49Å; F87-L93 HydrophobicContact CE2-CD2 3.77Å; F87-L93 HydrophobicContact CE2-CG 4.05Å; F87-L93 HydrophobicContact CG-CD2 4.18Å; F87-L93 HydrophobicContact CZ-CD2 4.45Å; T90-L93 HydrophobicContact CG2-CB 3.79Å; T90-L93 PolarHBondContact O-N 2.9Å; L93-I111 HydrophobicContact CD1-CG2 3.7Å; L93-I111 HydrophobicContact CD2-CG2 3.78Å; L93-I111 HydrophobicContact CG-CG2 3.78Å; L93-L112 WeakPolarHBondContact CD1-O 3.46Å; L93-C113 HydrophobicContact CD1-CB 4.34Å; L93-R120 WeakPolarHBondContact O-CD 3.44Å; L93-V147 HydrophobicContact CD2-CG2 3.62Å
94L94.6Very high88Confident0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-137.7135.8173.9-179.967.3000108.6L84 K86 I96 L112 R120 L123 V124L84-L94 HydrophobicContact CB-CD1 4.39Å; K86-L94 HydrophobicContact CG-CD1 4.26Å; L94-I96 HydrophobicContact CD2-CD1 4.16Å; L94-I96 HydrophobicContact CD2-CG1 4.01Å; L94-I96 HydrophobicContact CG-CG1 4.12Å; L94-L112 HydrophobicContact CB-CD1 3.91Å; L94-L112 HydrophobicContact CB-CG 4.34Å; L94-L112 HydrophobicContact CD2-CD1 4.32Å; L94-L112 PolarHBondContact N-O 2.84Å; L94-L112 PolarHBondContact O-N 2.78Å; L94-L112 VanDerWaalsContact O-O 3.09Å; L94-R120 HydrophobicContact CB-CG 4.2Å; L94-L123 HydrophobicContact CD2-CD2 3.72Å; L94-L123 HydrophobicContact CD2-CG 4.18Å; L94-V124 HydrophobicContact CD1-CG2 3.73Å; L94-V124 HydrophobicContact CD2-CG2 4.23Å
95A95.1Very high87.2Confident0 Ų041.2 Ų41.20%021%0.21CC..EExtended strand (participates in β ladder)trans-108.1133.6165.100000109.9L33 V85 F87 Y109 V110 I111L33-A95 HydrophobicContact CD2-CB 3.94Å; V85-A95 HydrophobicContact CB-CB 4.17Å; V85-A95 PolarHBondContact N-O 2.92Å; V85-A95 PolarHBondContact O-N 2.95Å; F87-A95 HydrophobicContact CE2-CB 3.95Å; F87-A95 HydrophobicContact CZ-CB 3.99Å; A95-Y109 HydrophobicContact CB-CD1 4.21Å; A95-V110 WeakPolarHBondContact CA-O 3.3Å; A95-I111 HydrophobicContact CB-CG1 4.08Å
96I95.3Very high86.8Confident0 Ų043.1 Ų43.10%022%0.219CC..EExtended strand (participates in β ladder)trans-112.7114.9179.1-54.4-175.8000107.7W67 I81 L84 L94 I98 Y109 V110 L112 L127W67-I96 HydrophobicContact CH2-CD1 4.41Å; W67-I96 HydrophobicContact CZ3-CD1 4.32Å; I81-I96 HydrophobicContact CG2-CG2 3.8Å; L84-I96 HydrophobicContact CD2-CB 4.33Å; L84-I96 HydrophobicContact CD2-CG1 3.95Å; L84-I96 HydrophobicContact CD2-CG2 3.97Å; L94-I96 HydrophobicContact CD2-CD1 4.16Å; L94-I96 HydrophobicContact CD2-CG1 4.01Å; L94-I96 HydrophobicContact CG-CG1 4.12Å; I96-I98 HydrophobicContact CG2-CG2 3.72Å; I96-Y109 CarbonylContact O-C 3.26Å; I96-Y109 VanDerWaalsContact O-CA 3.3Å; I96-Y109 WeakPolarHBondContact O-CA 3.3Å; I96-V110 PolarHBondContact N-O 3.14Å; I96-V110 PolarHBondContact O-N 2.88Å; I96-L112 HydrophobicContact CD1-CD2 3.64Å; I96-L112 HydrophobicContact CG1-CD2 4.27Å; I96-L127 HydrophobicContact CD1-CD1 4.4Å
97G95.1Very high86.8Confident0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-78.4117.3172.100000109.8N82 C83 Q108 Y109N82-G97 PolarHBondContact N-O 2.97Å; C83-G97 PolarHBondContact N-O 3.09Å; C83-G97 PolarHBondContact O-N 2.82Å; G97-Q108 WeakPolarHBondContact CA-O 3.49Å; G97-Y109 VanDerWaalsContact CA-CD1 3.42Å
98I92.8Very high87Confident1 Ų144.5 Ų44.51%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-121.6137.6-178.863.8173000110.4F28 W67 W68 I76 E80 I96 K107 Q108 V110F28-I98 WeakPolarHBondContact CZ-O 3.38Å; W67-I98 HydrophobicContact CB-CD1 4.18Å; W67-I98 HydrophobicContact CE3-CD1 4.47Å; W68-I98 HydrophobicContact CD2-CD1 4.38Å; W68-I98 HydrophobicContact CH2-CD1 4.16Å; W68-I98 HydrophobicContact CH2-CG1 3.99Å; W68-I98 HydrophobicContact CZ2-CD1 3.66Å; W68-I98 HydrophobicContact CZ2-CG1 3.85Å; I76-I98 HydrophobicContact CD1-CG2 3.68Å; E80-I98 VanDerWaalsContact O-CA 3.3Å; E80-I98 WeakPolarHBondContact O-CA 3.22Å; I96-I98 HydrophobicContact CG2-CG2 3.72Å; I98-K107 WeakPolarHBondContact O-CA 3.35Å; I98-Q108 HydrophobicContact CD1-CG 3.94Å; I98-Q108 HydrophobicContact CG1-CG 3.64Å; I98-Q108 PolarHBondContact N-O 3.1Å; I98-Q108 PolarHBondContact O-N 2.79Å; I98-V110 HydrophobicContact CD1-CG2 3.64Å; I98-V110 HydrophobicContact CG1-CG2 4.17Å
99A90.7Very high87.6Confident19 Ų1939.6 Ų39.616%0.15721%0.205CC..EExtended strand (participates in β ladder)trans-119.2127.6169.200000108.4F28 E80 N82 R101 K107F28-A99 HydrophobicContact CE2-CB 3.9Å; F28-A99 HydrophobicContact CZ-CB 3.82Å; E80-A99 VanDerWaalsContact CB-O 3.26Å; E80-A99 WeakPolarHBondContact CB-O 3.5Å; E80-A99 WeakPolarHBondContact CG-O 3.39Å; E80-A99 PolarHBondContact O-N 3.43Å; N82-A99 WeakPolarHBondContact ND2-CB 3.37Å; A99-R101 PolarHBondContact O-N 2.81Å; A99-K107 HydrophobicContact CB-CG 4.03Å
100S85.4Confident88.1Confident8 Ų836.9 Ų36.96%0.05619%0.186CC..  trans-64.2128.1178.8178.90000110.2E80 L102 Y103 E106E80-S100 WeakPolarHBondContact OE2-CA 3.39Å; S100-L102 PolarHBondContact O-N 2.86Å; S100-L102 PolarHBondContact OG-N 2.91Å; S100-Y103 WeakPolarHBondContact CB-O 3.45Å; S100-Y103 PolarHBondContact OG-N 2.74Å; S100-E106 PolarHBondContact N-O 2.79Å
101R80.7Confident88.5Confident150 Ų15036.1 Ų36.157%0.56618%0.181SC*.SBendtrans-68.9-20.4170.470-176.8-176.8179-4.1113E80 A99E80-R101 HydrophobicContact CG-CB 3.91Å; E80-R101 HydrophobicContact CG-CG 4.23Å; E80-R101 IonicContact OE1-NE 3.14Å; E80-R101 PolarHBondContact OE2-N 3.2Å; A99-R101 PolarHBondContact O-N 2.81Å
102L77.6Confident88.8Confident57 Ų5733 Ų3330%0.29816%0.161SC..SBendtrans-90.8-26.3-176.3-57.7178.7000111.7S100S100-L102 PolarHBondContact O-N 2.86Å; S100-L102 PolarHBondContact OG-N 2.91Å
103Y75.9Confident88.9Confident45 Ų4531 Ų3118%0.17615%0.151CC..  trans-138.999.9-174.4-54.9-71.5000109.5S100 S105 E106 A298S100-Y103 WeakPolarHBondContact CB-O 3.45Å; S100-Y103 PolarHBondContact OG-N 2.74Å; Y103-S105 PolarHBondContact O-N 3.37Å; Y103-E106 HydrophobicContact CG-CG 4.49Å; Y103-E106 PolarHBondContact O-N 3.09Å; Y103-A298 PolarHBondContact OH-O 3.33Å
104E73.8Confident89Confident182 Ų18230.5 Ų30.585%0.8515%0.148SC*.THydrogen-bonded Turntrans-58.6-24.4-175.7-64-177.6169.500113.7
105S77.8Confident89Confident71 Ų7137.4 Ų37.450%0.49718%0.178SC..THydrogen-bonded Turntrans-83.1-12.9176.758.60000114.3Y103 K107Y103-S105 PolarHBondContact O-N 3.37Å; S105-K107 PolarHBondContact O-N 2.86Å
106E83.6Confident89Confident40 Ų4039.5 Ų39.519%0.18719%0.193CC..  trans-91101.4178.8-69.1-165.9157.500110.6W68 S100 Y103W68-E106 HydrophobicContact CH2-CB 3.93Å; W68-E106 VanDerWaalsContact CH2-O 3.26Å; W68-E106 WeakPolarHBondContact CH2-O 3.3Å; W68-E106 HydrophobicContact CZ3-CB 3.91Å; S100-E106 PolarHBondContact N-O 2.79Å; Y103-E106 HydrophobicContact CG-CG 4.49Å; Y103-E106 PolarHBondContact O-N 3.09Å
107K90.9Very high88.9Confident46 Ų4640.6 Ų40.620%0.220%0.204CC..EExtended strand (participates in β ladder)trans-127141.3173.9-64.4176.9-177.7176.20109.6L22 P24 F28 I98 A99 S105L22-K107 HydrophobicContact CB-CB 3.8Å; L22-K107 HydrophobicContact CD1-CB 4.27Å; L22-K107 PolarHBondContact N-O 3.42Å; P24-K107 PolarHBondContact O-NZ 3.26Å; F28-K107 HydrophobicContact CE2-CD 4.11Å; F28-K107 HydrophobicContact CE2-CG 4.28Å; F28-K107 HydrophobicContact CZ-CB 3.94Å; F28-K107 HydrophobicContact CZ-CD 4.24Å; F28-K107 HydrophobicContact CZ-CG 4Å; I98-K107 WeakPolarHBondContact O-CA 3.35Å; A99-K107 HydrophobicContact CB-CG 4.03Å; S105-K107 PolarHBondContact O-N 2.86Å
108Q92.9Very high88.9Confident5 Ų545 Ų452%0.02324%0.235CC..EExtended strand (participates in β ladder)trans-159.9165.9173.369.1-178.623.300112.7V20 W67 W68 G97 I98 V110V20-Q108 CarbonylContact O-C 3.53Å; V20-Q108 WeakPolarHBondContact O-CA 3.46Å; V20-Q108 VanDerWaalsContact O-CB 3.23Å; V20-Q108 WeakPolarHBondContact O-CB 3.31Å; W67-Q108 PolarHBondContact O-NE2 3.24Å; W68-Q108 HydrophobicContact CD2-CG 4.5Å; W68-Q108 HydrophobicContact CE3-CG 3.73Å; W68-Q108 HydrophobicContact CH2-CB 4.49Å; W68-Q108 HydrophobicContact CH2-CG 3.75Å; W68-Q108 HydrophobicContact CZ3-CB 3.9Å; W68-Q108 HydrophobicContact CZ3-CG 3.3Å; G97-Q108 WeakPolarHBondContact CA-O 3.49Å; I98-Q108 HydrophobicContact CD1-CG 3.94Å; I98-Q108 HydrophobicContact CG1-CG 3.64Å; I98-Q108 PolarHBondContact N-O 3.1Å; I98-Q108 PolarHBondContact O-N 2.79Å; Q108-V110 HydrophobicContact CG-CG2 4.39Å
109Y94.6Very high89.1Confident0 Ų047.7 Ų47.70%025%0.249CC..EExtended strand (participates in β ladder)trans-100.5132.7160.2-73.4-88.7000111.1Y19 V20 L22 F28 N29 L33 C83 V85 A95 I96 G97Y19-Y109 WeakPolarHBondContact CA-O 3.32Å; V20-Y109 PolarHBondContact N-O 2.71Å; V20-Y109 PolarHBondContact O-N 2.9Å; L22-Y109 HydrophobicContact CD1-CD2 3.83Å; L22-Y109 HydrophobicContact CD1-CE2 3.67Å; L22-Y109 HydrophobicContact CD2-CD2 3.91Å; L22-Y109 HydrophobicContact CD2-CE2 4.06Å; L22-Y109 HydrophobicContact CG-CD2 4.1Å; L22-Y109 HydrophobicContact CG-CE2 4.32Å; F28-Y109 WeakPolarHBondContact CA-OH 3.25Å; F28-Y109 HydrophobicContact CD1-CE1 4.41Å; F28-Y109 HydrophobicContact CD1-CE2 4.21Å; F28-Y109 AromaticContact CD1-CZ 3.96Å; N29-Y109 PolarHBondContact N-OH 3.01Å; N29-Y109 PolarHBondContact O-OH 2.99Å; N29-Y109 VanDerWaalsContact O-OH 3.12Å; L33-Y109 HydrophobicContact CB-CD2 3.97Å; L33-Y109 HydrophobicContact CB-CE2 3.73Å; L33-Y109 HydrophobicContact CB-CG 4.46Å; L33-Y109 HydrophobicContact CD1-CD1 4.3Å; L33-Y109 HydrophobicContact CD1-CD2 3.75Å; L33-Y109 HydrophobicContact CD1-CE2 4.4Å; L33-Y109 HydrophobicContact CD1-CG 3.68Å; L33-Y109 HydrophobicContact CD2-CD1 4.27Å; L33-Y109 HydrophobicContact CD2-CE1 4.4Å; L33-Y109 HydrophobicContact CD2-CG 4.44Å; L33-Y109 HydrophobicContact CG-CD2 4.34Å; L33-Y109 HydrophobicContact CG-CG 4.41Å; C83-Y109 HydrophobicContact CB-CE1 4.24Å; V85-Y109 HydrophobicContact CG2-CE1 3.93Å; A95-Y109 HydrophobicContact CB-CD1 4.21Å; I96-Y109 CarbonylContact O-C 3.26Å; I96-Y109 VanDerWaalsContact O-CA 3.3Å; I96-Y109 WeakPolarHBondContact O-CA 3.3Å; G97-Y109 VanDerWaalsContact CA-CD1 3.42Å
110V94Very high89.3Confident0 Ų047.4 Ų47.40%024%0.244CC..EExtended strand (participates in β ladder)trans-98.7109.7168.6-173.50000108.4I16 Y19 W67 A95 I96 I98 Q108I16-V110 HydrophobicContact CD1-CG1 4.33Å; I16-V110 HydrophobicContact CG1-CG1 4.37Å; I16-V110 HydrophobicContact CG2-CG1 3.93Å; Y19-V110 HydrophobicContact CD1-CG1 4.2Å; Y19-V110 HydrophobicContact CD1-CG2 3.99Å; Y19-V110 HydrophobicContact CE1-CG1 4Å; Y19-V110 HydrophobicContact CE1-CG2 4.22Å; W67-V110 HydrophobicContact CE3-CB 4.46Å; W67-V110 HydrophobicContact CE3-CG1 4.41Å; W67-V110 HydrophobicContact CE3-CG2 4.09Å; W67-V110 HydrophobicContact CZ3-CG1 4.45Å; A95-V110 WeakPolarHBondContact CA-O 3.3Å; I96-V110 PolarHBondContact N-O 3.14Å; I96-V110 PolarHBondContact O-N 2.88Å; I98-V110 HydrophobicContact CD1-CG2 3.64Å; I98-V110 HydrophobicContact CG1-CG2 4.17Å; Q108-V110 HydrophobicContact CG-CG2 4.39Å
111I93.5Very high89.7Confident6 Ų650.4 Ų50.43%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-86.9113.8175.4-51.4-176.5000108K17 K18 V20 L93 A95K17-I111 HydrophobicContact CB-CG2 4.42Å; K17-I111 PolarHBondContact N-O 3.26Å; K18-I111 HydrophobicContact CB-CB 4.36Å; K18-I111 HydrophobicContact CB-CD1 4.36Å; K18-I111 PolarHBondContact N-O 3.24Å; K18-I111 PolarHBondContact O-N 3.2Å; V20-I111 HydrophobicContact CG2-CD1 3.8Å; V20-I111 HydrophobicContact CG2-CG1 4.26Å; L93-I111 HydrophobicContact CD1-CG2 3.7Å; L93-I111 HydrophobicContact CD2-CG2 3.78Å; L93-I111 HydrophobicContact CG-CG2 3.78Å; A95-I111 HydrophobicContact CB-CG1 4.08Å
112L94.9Very high90.4Very high1 Ų149.2 Ų49.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-121.5155.4179.16879.8000112.2V14 M15 L93 L94 I96 T114 L123V14-L112 HydrophobicContact CB-CD1 4.28Å; V14-L112 HydrophobicContact CG1-CD1 4.04Å; M15-L112 CarbonylContact O-C 3.41Å; M15-L112 VanDerWaalsContact O-CA 3.32Å; M15-L112 WeakPolarHBondContact O-CA 3.43Å; L93-L112 WeakPolarHBondContact CD1-O 3.46Å; L94-L112 HydrophobicContact CB-CD1 3.91Å; L94-L112 HydrophobicContact CB-CG 4.34Å; L94-L112 HydrophobicContact CD2-CD1 4.32Å; L94-L112 PolarHBondContact N-O 2.84Å; L94-L112 PolarHBondContact O-N 2.78Å; L94-L112 VanDerWaalsContact O-O 3.09Å; I96-L112 HydrophobicContact CD1-CD2 3.64Å; I96-L112 HydrophobicContact CG1-CD2 4.27Å; L112-T114 HydrophobicContact CD1-CG2 4.17Å; L112-L123 HydrophobicContact CD1-CD2 4.27Å
113C94.7Very high91.2Very high9 Ų946.7 Ų46.76%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-115.6131.6177.3-176.10000109.5V14 M15 K17 N92 L93V14-C113 CarbonylContact C-O 3.51Å; V14-C113 VanDerWaalsContact CA-O 3.25Å; V14-C113 WeakPolarHBondContact CA-O 3.5Å; M15-C113 HydrophobicContact CB-CB 4.37Å; M15-C113 PolarHBondContact N-O 3Å; M15-C113 PolarHBondContact O-N 3.43Å; K17-C113 HydrophobicContact CG-CB 4.1Å; N92-C113 PolarHBondContact ND2-SG 3.48Å; N92-C113 CarbonylContact O-C 3.5Å; N92-C113 VanDerWaalsContact O-CA 3.3Å; N92-C113 WeakPolarHBondContact O-CA 3.27Å; L93-C113 HydrophobicContact CD1-CB 4.34Å
114T96.2Very high92.1Very high0 Ų044.8 Ų44.80%024%0.238CC..EExtended strand (participates in β ladder)trans-92.1170.3168.957.40000110.6V14 W50 N92 L112 S116 D119 R120 L123V14-T114 HydrophobicContact CG1-CG2 4.38Å; W50-T114 WeakPolarHBondContact CH2-O 3.09Å; N92-T114 WeakPolarHBondContact CB-O 3.48Å; N92-T114 PolarHBondContact O-N 2.92Å; N92-T114 PolarHBondContact O-OG1 3.49Å; N92-T114 VanDerWaalsContact O-OG1 3.12Å; L112-T114 HydrophobicContact CD1-CG2 4.17Å; T114-S116 PolarHBondContact OG1-O 3.42Å; T114-D119 HydrophobicContact CG2-CB 4.41Å; T114-R120 HydrophobicContact CG2-CB 4.27Å; T114-L123 HydrophobicContact CG2-CD2 4.24Å
115K94.4Very high93Very high146 Ų14643.3 Ų43.364%0.63523%0.229SC*.SBendtrans-66.3-38.8177.6-72.1178.4172.5177.10112.3W50 D119W50-K115 HydrophobicContact CE3-CG 4.44Å; W50-K115 HydrophobicContact CH2-CB 4.47Å; W50-K115 HydrophobicContact CH2-CG 3.95Å; W50-K115 HydrophobicContact CZ3-CG 3.83Å; K115-D119 WeakPolarHBondContact CB-OD2 3.35Å
116S94.4Very high93.7Very high44 Ų4441.1 Ų41.131%0.30821%0.212SC..SBendtrans-139.7168.1178.572.10000112.2T114 S118 D119 R120T114-S116 PolarHBondContact OG1-O 3.42Å; S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 PolarHBondContact O-N 3.13Å; S116-S118 PolarHBondContact OG-N 3.07Å; S116-D119 WeakPolarHBondContact CB-OD2 3.38Å; S116-D119 PolarHBondContact N-OD2 3Å; S116-D119 PolarHBondContact O-N 3.05Å; S116-D119 PolarHBondContact OG-N 3.01Å; S116-D119 VanDerWaalsContact OG-N 3.14Å; S116-D119 PolarHBondContact OG-OD2 3.37Å; S116-R120 PolarHBondContact O-N 2.9Å
117G93.6Very high94.1Very high22 Ų2239.2 Ų39.223%0.22720%0.203CC..Hα-helixtrans-65-31.9171.500000113.5P91 R120 E121P91-G117 VanDerWaalsContact O-CA 3.27Å; P91-G117 WeakPolarHBondContact O-CA 3.39Å; G117-R120 WeakPolarHBondContact O-CB 3.32Å; G117-R120 PolarHBondContact O-N 3.04Å; G117-E121 PolarHBondContact O-N 2.82Å
118S95.5Very high94.1Very high94 Ų9438 Ų3866%0.65720%0.2SC*.Hα-helixtrans-64.6-41.3174.8-54.70000111.6S116 R120 E121 Q122S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 PolarHBondContact O-N 3.13Å; S116-S118 PolarHBondContact OG-N 3.07Å; S118-R120 VanDerWaalsContact C-N 3.28Å; S118-R120 PolarHBondContact O-N 2.89Å; S118-E121 PolarHBondContact O-N 3.39Å; S118-Q122 PolarHBondContact O-N 3.12Å
119D95.4Very high94Very high56 Ų5642.4 Ų42.430%0.29923%0.228SC..Hα-helixtrans-63-36.7175.6-59.7-49.5000111.7T114 K115 S116 L123T114-D119 HydrophobicContact CG2-CB 4.41Å; K115-D119 WeakPolarHBondContact CB-OD2 3.35Å; S116-D119 WeakPolarHBondContact CB-OD2 3.38Å; S116-D119 PolarHBondContact N-OD2 3Å; S116-D119 PolarHBondContact O-N 3.05Å; S116-D119 PolarHBondContact OG-N 3.01Å; S116-D119 VanDerWaalsContact OG-N 3.14Å; S116-D119 PolarHBondContact OG-OD2 3.37Å; D119-L123 VanDerWaalsContact O-CB 3.3Å; D119-L123 WeakPolarHBondContact O-CB 3.37Å; D119-L123 PolarHBondContact O-N 3.28Å
120R94.9Very high93.7Very high13 Ų1344.5 Ų44.55%0.04924%0.239CC..Hα-helixtrans-62.4-49.3174-176.6-159.865.8-165.7-5.4110.6F87 P91 L93 L94 T114 S116 G117 S118 Q122 L123 V124F87-R120 PolarHBondContact O-NH1 2.95Å; P91-R120 WeakPolarHBondContact O-CD 3.22Å; P91-R120 PolarHBondContact O-NE 3.42Å; P91-R120 VanDerWaalsContact O-NE 3.09Å; P91-R120 PolarHBondContact O-NH1 2.82Å; L93-R120 WeakPolarHBondContact O-CD 3.44Å; L94-R120 HydrophobicContact CB-CG 4.2Å; T114-R120 HydrophobicContact CG2-CB 4.27Å; S116-R120 PolarHBondContact O-N 2.9Å; G117-R120 WeakPolarHBondContact O-CB 3.32Å; G117-R120 PolarHBondContact O-N 3.04Å; S118-R120 VanDerWaalsContact C-N 3.28Å; S118-R120 PolarHBondContact O-N 2.89Å; R120-Q122 VanDerWaalsContact C-N 3.31Å; R120-Q122 PolarHBondContact O-N 3.47Å; R120-L123 PolarHBondContact O-N 2.82Å; R120-V124 HydrophobicContact CG-CG2 4.33Å; R120-V124 WeakPolarHBondContact O-CB 3.45Å; R120-V124 VanDerWaalsContact O-CG2 3.27Å; R120-V124 WeakPolarHBondContact O-CG2 3.07Å; R120-V124 PolarHBondContact O-N 2.73Å
121E94.7Very high93.2Very high72 Ų7244.7 Ų44.734%0.33624%0.24SC..Hα-helixtrans-63.5-39-179.9-69.2-55.7143.400111.8K86 G117 S118 V124 K125K86-E121 IonicContact NZ-OE1 3.3Å; K86-E121 PolarHBondContact NZ-OE1 2.9Å; K86-E121 IonicContact NZ-OE2 2.97Å; K86-E121 PolarHBondContact NZ-OE2 2.92Å; G117-E121 PolarHBondContact O-N 2.82Å; S118-E121 PolarHBondContact O-N 3.39Å; E121-V124 PolarHBondContact O-N 2.84Å; E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.47Å; E121-K125 PolarHBondContact O-N 2.91Å
122Q95.4Very high92.5Very high124 Ų12445.8 Ų45.858%0.57925%0.253SS*.Hα-helixtrans-63.3-44.5173.8-173.4175.8-2.400111.6S118 R120 K125 T126S118-Q122 PolarHBondContact O-N 3.12Å; R120-Q122 VanDerWaalsContact C-N 3.31Å; R120-Q122 PolarHBondContact O-N 3.47Å; Q122-K125 PolarHBondContact O-N 2.8Å; Q122-T126 PolarHBondContact O-N 2.84Å; Q122-T126 PolarHBondContact O-OG1 2.81Å
123L95.2Very high91.3Very high4 Ų453.6 Ų53.62%0.02129%0.294CS..Hα-helixtrans-59.3-48.2175.9176.758.7000111.3L53 I55 L94 L112 T114 D119 R120 K125 T126 L127L53-L123 HydrophobicContact CD2-CD1 3.84Å; L53-L123 HydrophobicContact CD2-CD2 4.14Å; I55-L123 HydrophobicContact CD1-CD1 3.37Å; L94-L123 HydrophobicContact CD2-CD2 3.72Å; L94-L123 HydrophobicContact CD2-CG 4.18Å; L112-L123 HydrophobicContact CD1-CD2 4.27Å; T114-L123 HydrophobicContact CG2-CD2 4.24Å; D119-L123 VanDerWaalsContact O-CB 3.3Å; D119-L123 WeakPolarHBondContact O-CB 3.37Å; D119-L123 PolarHBondContact O-N 3.28Å; R120-L123 PolarHBondContact O-N 2.82Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 2.89Å; L123-T126 PolarHBondContact O-N 3.32Å; L123-L127 HydrophobicContact CD1-CD1 3.99Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CG-CD1 4.1Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 2.9Å
124V93.6Very high90.1Very high6 Ų656 Ų564%0.03630%0.302CS..Hα-helixtrans-61.4-44.1178.3170.70000110.8K86 L94 R120 E121 T126 L127 T128 I156K86-V124 HydrophobicContact CD-CG1 4.27Å; K86-V124 HydrophobicContact CD-CG2 4.03Å; K86-V124 HydrophobicContact CG-CG2 4.22Å; L94-V124 HydrophobicContact CD1-CG2 3.73Å; L94-V124 HydrophobicContact CD2-CG2 4.23Å; R120-V124 HydrophobicContact CG-CG2 4.33Å; R120-V124 WeakPolarHBondContact O-CB 3.45Å; R120-V124 VanDerWaalsContact O-CG2 3.27Å; R120-V124 WeakPolarHBondContact O-CG2 3.07Å; R120-V124 PolarHBondContact O-N 2.73Å; E121-V124 PolarHBondContact O-N 2.84Å; V124-T126 PolarHBondContact O-N 3.38Å; V124-L127 PolarHBondContact O-N 3.36Å; V124-T128 HydrophobicContact CG1-CG2 4.27Å; V124-T128 WeakPolarHBondContact O-CB 3.23Å; V124-T128 VanDerWaalsContact O-CG2 3.3Å; V124-T128 WeakPolarHBondContact O-CG2 3.2Å; V124-T128 PolarHBondContact O-N 2.82Å; V124-T128 PolarHBondContact O-OG1 2.93Å; V124-I156 HydrophobicContact CG1-CD1 3.62Å
125K93Very high89.1Confident151 Ų15161.1 Ų61.166%0.65732%0.322SS*.Hα-helixtrans-60-44.9175.9-173.4-177.9179.6-177.80111.6E121 Q122 L123 T128 T129E121-K125 VanDerWaalsContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CB 3.47Å; E121-K125 PolarHBondContact O-N 2.91Å; Q122-K125 PolarHBondContact O-N 2.8Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 2.89Å; K125-T128 WeakPolarHBondContact CA-OG1 3.48Å; K125-T128 PolarHBondContact O-OG1 2.88Å; K125-T128 VanDerWaalsContact O-OG1 3.04Å; K125-T129 VanDerWaalsContact O-CB 3.28Å; K125-T129 WeakPolarHBondContact O-CB 3.34Å; K125-T129 PolarHBondContact O-N 2.82Å; K125-T129 PolarHBondContact O-OG1 3.16Å
126T93Very high88.3Confident24 Ų2458.2 Ų58.215%0.14732%0.317CS..Hα-helixtrans-62.3-50.3177.7-60.10000111.2A10 I55 Q122 L123 V124 T128 T129 L130A10-T126 HydrophobicContact CB-CG2 4.1Å; I55-T126 HydrophobicContact CD1-CG2 4.2Å; I55-T126 HydrophobicContact CG2-CG2 4.02Å; Q122-T126 PolarHBondContact O-N 2.84Å; Q122-T126 PolarHBondContact O-OG1 2.81Å; L123-T126 PolarHBondContact O-N 3.32Å; V124-T126 PolarHBondContact O-N 3.38Å; T126-T128 PolarHBondContact O-N 3.19Å; T126-T129 PolarHBondContact O-N 3.37Å; T126-L130 HydrophobicContact CG2-CD1 3.86Å; T126-L130 HydrophobicContact CG2-CG 4.44Å; T126-L130 VanDerWaalsContact O-CG 3.31Å; T126-L130 WeakPolarHBondContact O-CG 3.32Å; T126-L130 PolarHBondContact O-N 3Å
127L92.4Very high87.8Confident0 Ų061.8 Ų61.80%033%0.329CS..Hα-helixtrans-62.8-45.2-179.1-66.4177.6000112L60 L78 I81 L84 I96 L123 V124 T129 L130 C131L60-L127 HydrophobicContact CD1-CD2 3.86Å; L60-L127 HydrophobicContact CD2-CD2 3.56Å; L60-L127 HydrophobicContact CG-CD2 4.25Å; L78-L127 HydrophobicContact CD2-CD2 4.23Å; I81-L127 HydrophobicContact CD1-CD2 4.33Å; L84-L127 HydrophobicContact CD1-CB 3.92Å; L84-L127 HydrophobicContact CD1-CD1 4.16Å; L84-L127 HydrophobicContact CD2-CD1 3.91Å; I96-L127 HydrophobicContact CD1-CD1 4.4Å; L123-L127 HydrophobicContact CD1-CD1 3.99Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CG-CD1 4.1Å; L123-L127 VanDerWaalsContact O-CG 3.32Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 2.9Å; V124-L127 PolarHBondContact O-N 3.36Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 3.48Å; L127-L130 PolarHBondContact O-N 3.19Å; L127-C131 WeakPolarHBondContact O-CB 3.48Å; L127-C131 PolarHBondContact O-N 3.1Å; L127-C131 PolarHBondContact O-SG 3.11Å
128T90Very high87.2Confident21 Ų2162.6 Ų62.613%0.12933%0.331CS..Hα-helixtrans-64.5-37.4177.5500000112.3L84 V124 K125 T126 G132 I156L84-T128 HydrophobicContact CD1-CG2 4.16Å; V124-T128 HydrophobicContact CG1-CG2 4.27Å; V124-T128 WeakPolarHBondContact O-CB 3.23Å; V124-T128 VanDerWaalsContact O-CG2 3.3Å; V124-T128 WeakPolarHBondContact O-CG2 3.2Å; V124-T128 PolarHBondContact O-N 2.82Å; V124-T128 PolarHBondContact O-OG1 2.93Å; K125-T128 WeakPolarHBondContact CA-OG1 3.48Å; K125-T128 PolarHBondContact O-OG1 2.88Å; K125-T128 VanDerWaalsContact O-OG1 3.04Å; T126-T128 PolarHBondContact O-N 3.19Å; T128-G132 PolarHBondContact O-N 3.22Å; T128-I156 HydrophobicContact CG2-CD1 4.07Å; T128-I156 HydrophobicContact CG2-CG2 4.09Å
129T90.1Very high86.6Confident98 Ų9863.4 Ų63.460%0.60132%0.324SS*.Hα-helixtrans-64.5-45.6174.8-57.60000111.3K125 T126 L127 G132K125-T129 VanDerWaalsContact O-CB 3.28Å; K125-T129 WeakPolarHBondContact O-CB 3.34Å; K125-T129 PolarHBondContact O-N 2.82Å; K125-T129 PolarHBondContact O-OG1 3.16Å; T126-T129 PolarHBondContact O-N 3.37Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 3.48Å; T129-G132 PolarHBondContact O-N 3.43Å
130L88.7Confident86Confident44 Ų4463.9 Ų63.923%0.2332%0.323CS..Hα-helixtrans-69.7-34.3-179.5-68.6172.7000112.8V9 I55 T56 L78 T126 L127 G132V9-L130 HydrophobicContact CG1-CD2 4.49Å; I55-L130 HydrophobicContact CG2-CD1 3.42Å; I55-L130 VanDerWaalsContact CG2-CD1 3.42Å; T56-L130 WeakPolarHBondContact O-CD1 3.3Å; L78-L130 HydrophobicContact CD1-CB 3.75Å; L78-L130 HydrophobicContact CD1-CD1 4.27Å; T126-L130 HydrophobicContact CG2-CD1 3.86Å; T126-L130 HydrophobicContact CG2-CG 4.44Å; T126-L130 VanDerWaalsContact O-CG 3.31Å; T126-L130 WeakPolarHBondContact O-CG 3.32Å; T126-L130 PolarHBondContact O-N 3Å; L127-L130 PolarHBondContact O-N 3.19Å; L130-G132 PolarHBondContact O-N 2.96Å
131C84.6Confident85.1Confident4 Ų472.4 Ų72.43%0.02736%0.356CS..Hα-helixtrans-74.7-9.8174.8-66.90000113.6L127 R134 L158L127-C131 WeakPolarHBondContact O-CB 3.48Å; L127-C131 PolarHBondContact O-N 3.1Å; L127-C131 PolarHBondContact O-SG 3.11Å; C131-R134 PolarHBondContact O-NE 3.41Å; C131-R134 PolarHBondContact O-NH2 3.3Å; C131-L158 HydrophobicContact CB-CD2 3.64Å
132G78.7Confident84Confident29 Ų2970.5 Ų70.530%0.29935%0.346SS..  trans70.5-158.7177.600000113.9T128 T129 L130 R134 Y135T128-G132 PolarHBondContact O-N 3.22Å; T129-G132 PolarHBondContact O-N 3.43Å; L130-G132 PolarHBondContact O-N 2.96Å; G132-R134 PolarHBondContact O-N 3.28Å; G132-Y135 VanDerWaalsContact O-CD1 3.3Å; G132-Y135 WeakPolarHBondContact O-CD1 3.2Å
133N68.6Low82.7Confident165 Ų16571.2 Ų71.288%0.88235%0.354SS*.SBendtrans-74.122.9-173.8-65.2-16000114.8Y135N133-Y135 VanDerWaalsContact C-N 3.33Å; N133-Y135 PolarHBondContact O-N 2.96Å
134R70.4Confident81.3Confident58 Ų5872.7 Ų72.722%0.21936%0.363CS..  trans-93.323.3-172.4-61.4-175.8-64.3159.2-16.4113.6C131 G132 L158 S159 D161C131-R134 PolarHBondContact O-NE 3.41Å; C131-R134 PolarHBondContact O-NH2 3.3Å; G132-R134 PolarHBondContact O-N 3.28Å; R134-L158 CarbonylContact O-C 3.57Å; R134-L158 WeakPolarHBondContact O-CA 3.26Å; R134-S159 PolarHBondContact O-N 2.98Å; R134-D161 WeakPolarHBondContact CD-OD1 3.35Å; R134-D161 IonicContact CZ-OD1 2.8Å; R134-D161 VanDerWaalsContact CZ-OD1 3.26Å; R134-D161 IonicContact CZ-OD2 2.63Å; R134-D161 VanDerWaalsContact CZ-OD2 3.28Å; R134-D161 IonicContact NE-OD1 3.54Å; R134-D161 PolarHBondContact NE-OD1 3.25Å; R134-D161 IonicContact NH1-OD1 3.61Å; R134-D161 PolarHBondContact NH1-OD1 3.47Å; R134-D161 IonicContact NH1-OD2 2.99Å; R134-D161 PolarHBondContact NH1-OD2 2.94Å; R134-D161 IonicContact NH2-OD2 3.95Å
135Y73.9Confident79.7Confident108 Ų10876.9 Ų76.942%0.42439%0.39SS..EExtended strand (participates in β ladder)trans-118.6145.6-172.865.9-88.7000113.8G132 N133 I156 S157G132-Y135 VanDerWaalsContact O-CD1 3.3Å; G132-Y135 WeakPolarHBondContact O-CD1 3.2Å; N133-Y135 VanDerWaalsContact C-N 3.33Å; N133-Y135 PolarHBondContact O-N 2.96Å; Y135-I156 HydrophobicContact CD2-CG2 4.08Å; Y135-I156 HydrophobicContact CG-CG2 4.13Å; Y135-S157 CarbonylContact C-O 3.53Å; Y135-S157 VanDerWaalsContact CA-O 3.22Å; Y135-S157 WeakPolarHBondContact CA-O 3.2Å
136T78.9Confident78.1Confident85 Ų8570.6 Ų70.652%0.52136%0.364SS..EExtended strand (participates in β ladder)trans-115.7126.6165.555.10000108.4I156 S157T136-I156 WeakPolarHBondContact O-CA 3.31Å; T136-S157 PolarHBondContact N-O 2.8Å; T136-S157 PolarHBondContact O-N 2.92Å
137Q82.6Confident76.3Confident120 Ų12072.3 Ų72.356%0.56137%0.374SS*.EExtended strand (participates in β ladder)trans-98.4132.8175.6-176.3176.9-27.800109.9V154 E155 I156Q137-V154 HydrophobicContact CG-CG1 3.77Å; Q137-E155 CarbonylContact C-O 3.53Å; Q137-E155 WeakPolarHBondContact CA-O 3.44Å; Q137-I156 HydrophobicContact CG-CG1 4.25Å
138S82Confident74.5Confident38 Ų3874.1 Ų74.127%0.26639%0.393SS..EExtended strand (participates in β ladder)trans-132.5146.1170.666.90000110.5E155S138-E155 PolarHBondContact N-O 2.86Å; S138-E155 PolarHBondContact O-N 3.35Å
139E83.2Confident72.9Confident111 Ų11179 Ų7952%0.51943%0.425SS..EExtended strand (participates in β ladder)trans-115.2131174.4-173.8177.5169.500109Y88 V154Y88-E139 HydrophobicContact CE2-CG 4.19Å; Y88-E139 WeakPolarHBondContact CE2-OE1 3.31Å; E139-V154 HydrophobicContact CG-CG2 4.33Å
140K80.9Confident71.4Confident66 Ų6678 Ų7829%0.28742%0.419SS..EExtended strand (participates in β ladder)trans-138.4148-175.5-64.1174.5-170.7162.50109.6S30 F142 I153 E155S30-K140 WeakPolarHBondContact OG-CD 2.89Å; K140-F142 HydrophobicContact CB-CD2 4.28Å; K140-F142 HydrophobicContact CB-CE2 3.51Å; K140-F142 HydrophobicContact CB-CZ 3.91Å; K140-F142 HydrophobicContact CD-CE2 4.35Å; K140-F142 HydrophobicContact CD-CZ 4.05Å; K140-I153 PolarHBondContact N-O 2.86Å; K140-I153 PolarHBondContact O-N 2.84Å; K140-E155 IonicContact NZ-OE2 2.99Å; K140-E155 PolarHBondContact NZ-OE2 3.43Å; K140-E155 VanDerWaalsContact NZ-OE2 3.11Å
141R76.6Confident70.3Confident192 Ų19275.9 Ų75.973%0.72541%0.408SS*.EExtended strand (participates in β ladder)trans-110.1134.9176.3-60.5-167.3177.3173-1.3110N152R141-N152 WeakPolarHBondContact CD-OD1 3.44Å; R141-N152 VanDerWaalsContact CG-OD1 3.28Å; R141-N152 WeakPolarHBondContact CG-OD1 3.47Å
142F72.6Confident69.7Low32 Ų3278 Ų7814%0.1442%0.419CS..EExtended strand (participates in β ladder)trans-131.9141.1179.5-60.4-89.4000111.9S30 Q31 I34 K140 V144 V151 I153S30-F142 WeakPolarHBondContact OG-CZ 3.26Å; Q31-F142 HydrophobicContact CG-CE1 3.85Å; Q31-F142 HydrophobicContact CG-CZ 4.11Å; I34-F142 HydrophobicContact CD1-CB 3.73Å; I34-F142 HydrophobicContact CD1-CD1 3.24Å; I34-F142 HydrophobicContact CD1-CD2 3.53Å; I34-F142 HydrophobicContact CD1-CE1 3.54Å; I34-F142 HydrophobicContact CD1-CE2 3.8Å; I34-F142 HydrophobicContact CD1-CG 3.21Å; I34-F142 HydrophobicContact CD1-CZ 3.8Å; K140-F142 HydrophobicContact CB-CD2 4.28Å; K140-F142 HydrophobicContact CB-CE2 3.51Å; K140-F142 HydrophobicContact CB-CZ 3.91Å; K140-F142 HydrophobicContact CD-CE2 4.35Å; K140-F142 HydrophobicContact CD-CZ 4.05Å; F142-V144 HydrophobicContact CB-CG2 3.75Å; F142-V144 PolarHBondContact O-N 3.06Å; F142-V151 PolarHBondContact N-O 3.3Å; F142-V151 PolarHBondContact O-N 3.21Å; F142-I153 HydrophobicContact CD2-CB 4.01Å; F142-I153 HydrophobicContact CD2-CD1 3.49Å; F142-I153 VanDerWaalsContact CD2-CD1 3.49Å; F142-I153 HydrophobicContact CD2-CG1 3.82Å; F142-I153 HydrophobicContact CE2-CB 4.02Å; F142-I153 HydrophobicContact CE2-CD1 3.83Å; F142-I153 HydrophobicContact CE2-CG1 4.24Å; F142-I153 HydrophobicContact CG-CD1 4.38Å
143N67.6Low69.8Low140 Ų14076.7 Ų76.775%0.74941%0.405SS*.  trans-96.770.7172.6-68.7-16.9000109.6
144V65.9Low70.4Confident35 Ų3568.8 Ų68.821%0.21236%0.363CS..SBendtrans-142.8144.8-176.8-68.20000112.8I34 F142 I146 V151I34-V144 HydrophobicContact CD1-CG2 3.8Å; I34-V144 HydrophobicContact CG1-CG2 3.93Å; I34-V144 HydrophobicContact CG2-CB 4.02Å; I34-V144 HydrophobicContact CG2-CG1 3.64Å; I34-V144 HydrophobicContact CG2-CG2 3.8Å; F142-V144 HydrophobicContact CB-CG2 3.75Å; F142-V144 PolarHBondContact O-N 3.06Å; V144-I146 VanDerWaalsContact C-N 3.27Å; V144-I146 HydrophobicContact CG2-CD1 3.91Å; V144-I146 HydrophobicContact CG2-CG1 3.85Å; V144-I146 PolarHBondContact O-N 2.9Å; V144-V151 VanDerWaalsContact O-CG2 3.27Å; V144-V151 WeakPolarHBondContact O-CG2 3.16Å
145P59.7Low71Confident93 Ų9366.3 Ų66.360%0.60435%0.354SS*.THydrogen-bonded Turntrans-80.972.317534.4-34000110.9G148P145-G148 VanDerWaalsContact CA-O 3.32Å; P145-G148 WeakPolarHBondContact CA-O 2.98Å
146I59.8Low71.4Confident20 Ų2061.4 Ų61.410%0.10334%0.335CS..THydrogen-bonded Turntrans-77.1-47.3159.5-56.4163.7000107.8I34 F87 V144 V151 I153I34-I146 HydrophobicContact CD1-CD1 4.02Å; I34-I146 HydrophobicContact CG1-CD1 3.41Å; I34-I146 VanDerWaalsContact CG1-CD1 3.41Å; I34-I146 HydrophobicContact CG1-CG1 4.12Å; F87-I146 HydrophobicContact CD1-CD1 4.36Å; F87-I146 HydrophobicContact CD1-CG2 4.39Å; F87-I146 HydrophobicContact CE1-CB 4.48Å; F87-I146 HydrophobicContact CE1-CD1 3.77Å; F87-I146 HydrophobicContact CE1-CG2 3.82Å; F87-I146 HydrophobicContact CZ-CG2 4.23Å; V144-I146 VanDerWaalsContact C-N 3.27Å; V144-I146 HydrophobicContact CG2-CD1 3.91Å; V144-I146 HydrophobicContact CG2-CG1 3.85Å; V144-I146 PolarHBondContact O-N 2.9Å; I146-V151 HydrophobicContact CB-CG2 4.43Å; I146-V151 HydrophobicContact CD1-CG1 4.45Å; I146-I153 HydrophobicContact CD1-CD1 3.64Å
147V55.4Low71.6Confident59 Ų5958.6 Ų58.636%0.35832%0.319SS..SBendtrans-149.192.8168.4-166.40000108.4T90 L93T90-V147 HydrophobicContact CG2-CG1 4.24Å; T90-V147 VanDerWaalsContact OG1-CB 3.3Å; T90-V147 WeakPolarHBondContact OG1-CB 2.87Å; T90-V147 VanDerWaalsContact OG1-CG1 3.22Å; T90-V147 WeakPolarHBondContact OG1-CG1 3.42Å; L93-V147 HydrophobicContact CD2-CG2 3.62Å
148G54.5Low71.2Confident39 Ų3953.4 Ų53.440%0.40230%0.295SS..SBendtrans86.2-176.517800000115.8P145 T150P145-G148 VanDerWaalsContact CA-O 3.32Å; P145-G148 WeakPolarHBondContact CA-O 2.98Å; G148-T150 PolarHBondContact O-N 2.87Å
149P56.9Low70.5Confident124 Ų12454.6 Ų54.681%0.80530%0.303SS*.SBendtrans-74.7-26.5-162.526.2-33.6000115.4
150T57.3Low69.2Low76 Ų7653.6 Ų53.647%0.46631%0.306SS..  trans-142.7132.8176.9-49.80000109.7G148G148-T150 PolarHBondContact O-N 2.87Å
151V65.1Low67.8Low0 Ų054.8 Ų54.80%032%0.316CS..EExtended strand (participates in β ladder)trans-128.5112.8-174.7-1740000108.7F87 F142 V144 I146 I153F87-V151 HydrophobicContact CB-CG1 4.28Å; F87-V151 HydrophobicContact CD1-CG1 3.65Å; F87-V151 HydrophobicContact CG-CG1 4.45Å; F142-V151 PolarHBondContact N-O 3.3Å; F142-V151 PolarHBondContact O-N 3.21Å; V144-V151 VanDerWaalsContact O-CG2 3.27Å; V144-V151 WeakPolarHBondContact O-CG2 3.16Å; I146-V151 HydrophobicContact CB-CG2 4.43Å; I146-V151 HydrophobicContact CD1-CG1 4.45Å; V151-I153 HydrophobicContact CG1-CD1 4.21Å; V151-I153 HydrophobicContact CG1-CG1 3.75Å
152N72.2Confident65.8Low49 Ų4953.7 Ų53.726%0.26232%0.323SS..EExtended strand (participates in β ladder)trans-83133.4165.9-54.5-39.9000108.1Y88 R141Y88-N152 HydrophobicContact CD2-CB 3.5Å; Y88-N152 VanDerWaalsContact CD2-CB 3.5Å; Y88-N152 HydrophobicContact CE2-CB 4.39Å; Y88-N152 HydrophobicContact CG-CB 4.11Å; Y88-N152 PolarHBondContact N-O 2.84Å; R141-N152 WeakPolarHBondContact CD-OD1 3.44Å; R141-N152 VanDerWaalsContact CG-OD1 3.28Å; R141-N152 WeakPolarHBondContact CG-OD1 3.47Å
153I82.2Confident64Low0 Ų061.6 Ų61.60%036%0.357CS..EExtended strand (participates in β ladder)trans-122.7130.9-173.1-62.7-172.9000109.7I34 V85 K86 F87 K140 F142 I146 V151I34-I153 HydrophobicContact CD1-CD1 3.85Å; I34-I153 HydrophobicContact CG1-CD1 4.37Å; V85-I153 HydrophobicContact CG1-CG2 3.23Å; K86-I153 VanDerWaalsContact O-CA 3.31Å; K86-I153 WeakPolarHBondContact O-CA 3.36Å; F87-I153 HydrophobicContact CD1-CD1 4.17Å; F87-I153 HydrophobicContact CD1-CG1 4.05Å; F87-I153 HydrophobicContact CE1-CD1 4.01Å; F87-I153 HydrophobicContact CE1-CG1 4.36Å; K140-I153 PolarHBondContact N-O 2.86Å; K140-I153 PolarHBondContact O-N 2.84Å; F142-I153 HydrophobicContact CD2-CB 4.01Å; F142-I153 HydrophobicContact CD2-CD1 3.49Å; F142-I153 VanDerWaalsContact CD2-CD1 3.49Å; F142-I153 HydrophobicContact CD2-CG1 3.82Å; F142-I153 HydrophobicContact CE2-CB 4.02Å; F142-I153 HydrophobicContact CE2-CD1 3.83Å; F142-I153 HydrophobicContact CE2-CG1 4.24Å; F142-I153 HydrophobicContact CG-CD1 4.38Å; I146-I153 HydrophobicContact CD1-CD1 3.64Å; V151-I153 HydrophobicContact CG1-CD1 4.21Å; V151-I153 HydrophobicContact CG1-CG1 3.75Å
154V80Confident62.1Low0 Ų063.9 Ų63.90%036%0.361CS..EExtended strand (participates in β ladder)trans-103.5125.4162.8-172.20000108V85 K86 Y88 Q137 E139V85-V154 CarbonylContact C-O 3.57Å; V85-V154 WeakPolarHBondContact CA-O 3.47Å; K86-V154 HydrophobicContact CB-CB 4.17Å; K86-V154 PolarHBondContact N-O 3.41Å; K86-V154 PolarHBondContact O-N 3.2Å; Y88-V154 HydrophobicContact CD2-CG2 4.04Å; Y88-V154 HydrophobicContact CE1-CG2 4.43Å; Y88-V154 HydrophobicContact CE2-CG2 3.11Å; Y88-V154 WeakPolarHBondContact OH-CG2 3.48Å; Q137-V154 HydrophobicContact CG-CG1 3.77Å; E139-V154 HydrophobicContact CG-CG2 4.33Å
155E84Confident60.2Low5 Ų567.4 Ų67.42%0.02339%0.387CS..EExtended strand (participates in β ladder)trans-109.8129.8177.3-175.1-173.9152.500108.9N29 S30 C83 V85 Q137 S138 K140 S157N29-E155 VanDerWaalsContact CA-OE1 3.25Å; N29-E155 WeakPolarHBondContact CA-OE1 3.46Å; N29-E155 WeakPolarHBondContact CB-OE1 3.24Å; S30-E155 VanDerWaalsContact CB-OE2 3.23Å; S30-E155 WeakPolarHBondContact CB-OE2 3.22Å; S30-E155 PolarHBondContact N-OE2 3.47Å; S30-E155 PolarHBondContact OG-OE2 3.46Å; C83-E155 VanDerWaalsContact SG-CG 3.59Å; V85-E155 HydrophobicContact CG2-CG 4.34Å; Q137-E155 CarbonylContact C-O 3.53Å; Q137-E155 WeakPolarHBondContact CA-O 3.44Å; S138-E155 PolarHBondContact N-O 2.86Å; S138-E155 PolarHBondContact O-N 3.35Å; K140-E155 IonicContact NZ-OE2 2.99Å; K140-E155 PolarHBondContact NZ-OE2 3.43Å; K140-E155 VanDerWaalsContact NZ-OE2 3.11Å; E155-S157 PolarHBondContact OE1-OG 2.63Å; E155-S157 VanDerWaalsContact OE1-OG 3.09Å
156I82.9Confident58.7Low5 Ų568.9 Ų68.93%0.02639%0.394CS..EExtended strand (participates in β ladder)trans-116.698.6172.8-56.5170.1000106C83 L84 V124 T128 Y135 T136 Q137C83-I156 CarbonylContact C-O 3.51Å; C83-I156 WeakPolarHBondContact CA-O 3.27Å; L84-I156 HydrophobicContact CB-CB 4.26Å; L84-I156 PolarHBondContact N-O 3.05Å; L84-I156 PolarHBondContact O-N 2.9Å; V124-I156 HydrophobicContact CG1-CD1 3.62Å; T128-I156 HydrophobicContact CG2-CD1 4.07Å; T128-I156 HydrophobicContact CG2-CG2 4.09Å; Y135-I156 HydrophobicContact CD2-CG2 4.08Å; Y135-I156 HydrophobicContact CG-CG2 4.13Å; T136-I156 WeakPolarHBondContact O-CA 3.31Å; Q137-I156 HydrophobicContact CG-CG1 4.25Å
157S83Confident57.2Low27 Ų2773.1 Ų73.119%0.18942%0.423CS..EExtended strand (participates in β ladder)trans-82.9131.4177.8-38.40000108.4Y135 T136 E155Y135-S157 CarbonylContact C-O 3.53Å; Y135-S157 VanDerWaalsContact CA-O 3.22Å; Y135-S157 WeakPolarHBondContact CA-O 3.2Å; T136-S157 PolarHBondContact N-O 2.8Å; T136-S157 PolarHBondContact O-N 2.92Å; E155-S157 PolarHBondContact OE1-OG 2.63Å; E155-S157 VanDerWaalsContact OE1-OG 3.09Å
158L73.1Confident56Low11 Ų1176.8 Ų76.86%0.05845%0.445CS..EExtended strand (participates in β ladder)trans-100.1122.2177.2-65.5158000107.8I81 N82 C131 R134 P160I81-L158 HydrophobicContact CB-CD1 4.01Å; I81-L158 HydrophobicContact CG2-CD1 3.51Å; I81-L158 WeakPolarHBondContact O-CD1 3.47Å; N82-L158 WeakPolarHBondContact O-CB 3.38Å; N82-L158 PolarHBondContact O-N 2.78Å; C131-L158 HydrophobicContact CB-CD2 3.64Å; R134-L158 CarbonylContact O-C 3.57Å; R134-L158 WeakPolarHBondContact O-CA 3.26Å; L158-P160 WeakPolarHBondContact O-CD 3.22Å
159S67.9Low54.8Low62 Ų6278 Ų7843%0.43446%0.457SS..PPolyproline II helixtrans-64.9120.6168.9-56.80000108.1R134 D161R134-S159 PolarHBondContact O-N 2.98Å; S159-D161 PolarHBondContact O-N 3.18Å
160P55Low53.4Low91 Ų9181.4 Ų81.459%0.59146%0.46SS*.PPolyproline II helixtrans-55.7134.7167.323-29.8000107L158 L162L158-P160 WeakPolarHBondContact O-CD 3.22Å; P160-L162 PolarHBondContact O-N 3Å
161D52.4Low52Low90 Ų9083 Ų8348%0.48147%0.474SS..  trans-44.5119.6179.8-79.4-51.2000109R134 S159 K163R134-D161 WeakPolarHBondContact CD-OD1 3.35Å; R134-D161 IonicContact CZ-OD1 2.8Å; R134-D161 VanDerWaalsContact CZ-OD1 3.26Å; R134-D161 IonicContact CZ-OD2 2.63Å; R134-D161 VanDerWaalsContact CZ-OD2 3.28Å; R134-D161 IonicContact NE-OD1 3.54Å; R134-D161 PolarHBondContact NE-OD1 3.25Å; R134-D161 IonicContact NH1-OD1 3.61Å; R134-D161 PolarHBondContact NH1-OD1 3.47Å; R134-D161 IonicContact NH1-OD2 2.99Å; R134-D161 PolarHBondContact NH1-OD2 2.94Å; R134-D161 IonicContact NH2-OD2 3.95Å; S159-D161 PolarHBondContact O-N 3.18Å; D161-K163 PolarHBondContact O-N 3.38Å
162L33.5Very low50.2Low169 Ų16990.4 Ų90.489%0.88551%0.512SS*.  trans-53.992.9150.9-87.9134.2000104.5P160 K164P160-L162 PolarHBondContact O-N 3Å; L162-K164 PolarHBondContact O-N 3.38Å
163K35.3Very low47.9Very low198 Ų19895.8 Ų95.886%0.86154%0.536SS*.  trans-52.7100.7159.8-77.3-174.2178.7177.80103.4D161 S165D161-K163 PolarHBondContact O-N 3.38Å; K163-S165 PolarHBondContact O-N 3.39Å
164K28.6Very low45.3Very low188 Ų188102 Ų10282%0.81757%0.567SS**  trans-48.7112.5165-77.3-178.6176.1-179.20103.9L162 V166L162-K164 PolarHBondContact O-N 3.38Å; K164-V166 VanDerWaalsContact C-N 3.27Å; K164-V166 PolarHBondContact O-N 3.07Å
165S25.2Very low42.7Very low109 Ų109108.4 Ų108.476%0.76260%0.602SS**  trans-52.8103.1168.651.90000105.5K163 P167K163-S165 PolarHBondContact O-N 3.39Å; S165-P167 VanDerWaalsContact O-CD 3.29Å; S165-P167 WeakPolarHBondContact O-CD 3.46Å; S165-P167 VanDerWaalsContact O-N 3.16Å
166V28.9Very low40Very low124 Ų124116.4 Ų116.475%0.75264%0.639SS**  trans-63.4115.5164.6178.50000103K164 V168K164-V166 VanDerWaalsContact C-N 3.27Å; K164-V166 PolarHBondContact O-N 3.07Å; V166-V168 PolarHBondContact O-N 3.12Å
167P28.4Very low37.2Very low110 Ų110124.9 Ų124.971%0.71468%0.678SS**  trans-57.9123.4-178.614.7-17.5000106.5S165 G169S165-P167 VanDerWaalsContact O-CD 3.29Å; S165-P167 WeakPolarHBondContact O-CD 3.46Å; S165-P167 VanDerWaalsContact O-N 3.16Å; P167-G169 PolarHBondContact O-N 3.46Å
168V30.3Very low34.6Very low135 Ų135128.6 Ų128.682%0.81870%0.701SS**  trans-58.393.5173.2176.80000105.9V166 K170V166-V168 PolarHBondContact O-N 3.12Å; V168-K170 PolarHBondContact O-N 3.15Å
169G27.9Very low32.3Very low64 Ų64132.9 Ų132.966%0.6673%0.732SS**  trans-57.2126.2168.800000106.6P167 S171P167-G169 PolarHBondContact O-N 3.46Å; G169-S171 PolarHBondContact O-N 3.25Å; G169-S171 VanDerWaalsContact O-N 3.09Å
170K28.6Very low30.3Very low197 Ų197136.9 Ų136.986%0.85775%0.748SS**  trans-34.1115.3-178-68.4174.9176.6179.60110.7V168 I172V168-K170 PolarHBondContact O-N 3.15Å; K170-I172 PolarHBondContact O-N 2.63Å; K170-I172 VanDerWaalsContact O-N 3.1Å
171S28.4Very low29Very low109 Ų109140 Ų14076%0.76275%0.754SS**  trans-51.5114.2169.88.30000108.2G169 E173G169-S171 PolarHBondContact O-N 3.25Å; G169-S171 VanDerWaalsContact O-N 3.09Å; S171-E173 PolarHBondContact O-N 3.44Å
172I26.6Very low27.7Very low155 Ų155141.3 Ų141.380%0.79577%0.767SS**  trans-76.5110.3166.6-59.6174.4000105.1K170 I174K170-I172 PolarHBondContact O-N 2.63Å; K170-I172 VanDerWaalsContact O-N 3.1Å; I172-I174 PolarHBondContact O-N 2.99Å
173E24.7Very low27.5Very low163 Ų163140.9 Ų140.976%0.76276%0.764SS**  trans-64.799.4175.7-160.9170-147.900108.2S171 N175S171-E173 PolarHBondContact O-N 3.44Å; E173-N175 PolarHBondContact O-N 2.79Å
174I27.6Very low27.1Very low130 Ų130136.5 Ų136.567%0.66776%0.758SS**  trans-81.498.6172.1-58.3176.9000106.3I172 H176I172-I174 PolarHBondContact O-N 2.99Å; I174-H176 PolarHBondContact O-N 2.7Å; I174-H176 VanDerWaalsContact O-N 3.1Å
175N25.4Very low26.9Very low135 Ų135132.9 Ų132.972%0.72276%0.755SS**  trans-63.3107.3171.7-71.3-43000109.2E173 E177E173-N175 PolarHBondContact O-N 2.79Å; N175-E177 PolarHBondContact O-N 3.29Å
176H25.5Very low27.1Very low173 Ų173134.9 Ų134.980%0.80176%0.757SS**  trans-76.898.6167.4-76.1-76.8000108.7I174 P178I174-H176 PolarHBondContact O-N 2.7Å; I174-H176 VanDerWaalsContact O-N 3.1Å; H176-P178 WeakPolarHBondContact O-CD 3.4Å
177E25.7Very low27.2Very low182 Ų182136.7 Ų136.785%0.8576%0.763SS**  trans-74.7122164-165.1173.6-17800108.6N175 S179N175-E177 PolarHBondContact O-N 3.29Å; E177-S179 PolarHBondContact O-N 2.99Å; E177-S179 VanDerWaalsContact O-N 3.14Å
178P27.3Very low27.5Very low105 Ų105136.6 Ų136.668%0.68276%0.763SS**  trans-81.196.8-172.330.3-31.3000110.4H176 I180H176-P178 WeakPolarHBondContact O-CD 3.4Å; P178-I180 VanDerWaalsContact C-N 3.34Å; P178-I180 PolarHBondContact O-N 3.36Å
179S25.9Very low27.5Very low101 Ų101139.1 Ų139.171%0.70677%0.765SS**  trans-75.590166.880.30000109.6E177 H181E177-S179 PolarHBondContact O-N 2.99Å; E177-S179 VanDerWaalsContact O-N 3.14Å; S179-H181 PolarHBondContact O-N 3.43Å; S179-H181 VanDerWaalsContact O-N 3.1Å
180I25.2Very low27.6Very low147 Ų147141.7 Ų141.775%0.75477%0.771SS**  trans-74.394.1166.9-56.5171.2000106.7P178P178-I180 VanDerWaalsContact C-N 3.34Å; P178-I180 PolarHBondContact O-N 3.36Å
181H27Very low27.5Very low157 Ų157142.7 Ų142.773%0.72777%0.77SS**  trans-96.7121.4161.8-79-43.6000109.1S179 I183S179-H181 PolarHBondContact O-N 3.43Å; S179-H181 VanDerWaalsContact O-N 3.1Å; H181-I183 PolarHBondContact O-N 3.02Å
182P26Very low27.6Very low117 Ų117144.7 Ų144.776%0.7677%0.771SS**  trans-70114.9-175.727.1-31.2000109.5S184P182-S184 PolarHBondContact O-N 3.46Å; P182-S184 VanDerWaalsContact O-N 3.15Å
183I29.6Very low27.6Very low160 Ų160146 Ų14682%0.82177%0.771SS**  trans-75105174.2-62.1171000107.3H181 C185H181-I183 PolarHBondContact O-N 3.02Å; I183-C185 PolarHBondContact O-N 3.25Å
184S26.3Very low27.6Very low105 Ų105147 Ų14773%0.73478%0.775SS**  trans-63.7122.8160.5171.20000108.6P182 N186P182-S184 PolarHBondContact O-N 3.46Å; P182-S184 VanDerWaalsContact O-N 3.15Å; S184-N186 PolarHBondContact O-N 3.16Å
185C23.8Very low27.5Very low112 Ų112146.9 Ų146.976%0.75778%0.781SS**  trans-59.8114.9174.3-62.50000110.7I183I183-C185 PolarHBondContact O-N 3.25Å
186N29.3Very low27.4Very low151 Ų151146.5 Ų146.581%0.80778%0.784SS**  trans-161.695.8146.9-89.6-28000110.8S184S184-N186 PolarHBondContact O-N 3.16Å
187N32.8Very low27.3Very low162 Ų162145 Ų14587%0.86678%0.781SS**  trans66.9148.9155.8-79.5-14.1000122.8
188P34.7Very low27.1Very low109 Ų109146.1 Ų146.171%0.70878%0.782SS**  trans-114.9140-148.737-22.6000114.1
189E28.5Very low27Very low188 Ų188148 Ų14888%0.87979%0.785SS**  trans-167.3104.8146-112177.5-165.300108.9Y191E189-Y191 PolarHBondContact O-N 3.18Å
190P31.6Very low26.7Very low118 Ų118151.2 Ų151.277%0.76679%0.789SS**  trans-85.596.6179.231.3-28.3000110I192P190-I192 PolarHBondContact O-N 2.87Å
191Y26.2Very low26.6Very low218 Ų218155.2 Ų155.286%0.85580%0.795SS**  trans-77.699.2164.8-140.6-92.1000108.5E189 K193E189-Y191 PolarHBondContact O-N 3.18Å; Y191-K193 PolarHBondContact O-N 2.76Å
192I30Very low26.5Very low151 Ų151155.6 Ų155.677%0.77480%0.796SS**  trans-71.1109.6176.6-61.8171.3000108.1P190 E194P190-I192 PolarHBondContact O-N 2.87Å; I192-E194 PolarHBondContact O-N 3.18Å
193K26.5Very low26.6Very low181 Ų181155.9 Ų155.979%0.78780%0.798SS**  trans-77.5116.6170.2-88.5-179173.9176.80109.9Y191 T195Y191-K193 PolarHBondContact O-N 2.76Å; K193-T195 PolarHBondContact O-N 3.09Å
194E25.2Very low26.3Very low184 Ų184153.5 Ų153.586%0.8680%0.796SS**  trans-57.1126.8168.8-72.6179.614800110.8I192I192-E194 PolarHBondContact O-N 3.18Å
195T26.2Very low26.5Very low128 Ų128154.7 Ų154.779%0.78580%0.801SS**  trans-101102.2175-53.30000108.8K193 I197K193-T195 PolarHBondContact O-N 3.09Å; T195-I197 PolarHBondContact O-N 3.29Å
196T22.1Very low26.5Very low127 Ų127156.8 Ų156.878%0.77981%0.805SS**  trans-74.2113.4178.9-51.50000110.9
197I24.3Very low26.4Very low143 Ų143157.9 Ų157.973%0.73381%0.81SS**  trans-89.2115.2175.4-58.5174.7000109.2T195 I199T195-I197 PolarHBondContact O-N 3.29Å; I197-I199 HydrophobicContact CG2-CG1 4.21Å
198K20.2Very low25.8Very low205 Ų205157.5 Ų157.589%0.89181%0.806SS**  trans-91.6113.8175.4-128.4-179-177.6-176.20108.9
199I25.4Very low25.4Very low144 Ų144158.1 Ų158.174%0.73881%0.813SS**  trans-98.6107176.4-58.2175.1000108.5I197I197-I199 HydrophobicContact CG2-CG1 4.21Å
200E20.9Very low25Very low169 Ų169155 Ų15579%0.7981%0.807SS**  trans-88.2120.9176.7-161165.2-158.900109.7
201R21.6Very low24.7Very low231 Ų231154 Ų15487%0.87281%0.808SS**  trans-93.1111.9-178.2-71.8-175.7-178.6175.61110
202H26.1Very low25.2Very low165 Ų165149.7 Ų149.776%0.76481%0.807SS**PPolyproline II helixtrans-87.4137.9166.8-79.2-70.5000111.7
203P26.6Very low24.9Very low122 Ų122150.3 Ų150.379%0.79281%0.81SS**PPolyproline II helixtrans-82.9148.5-171.532.5-34000113.8
204S25.1Very low24.9Very low111 Ų111147.1 Ų147.178%0.77681%0.811SS**PPolyproline II helixtrans-55.3147.7-174.7-45.90000115.9
205P29.8Very low25.4Very low130 Ų130143.4 Ų143.484%0.84480%0.803SS**PPolyproline II helixtrans-86117163.610.76.9000110.6
206N23.6Very low25.4Very low155 Ų155145 Ų14583%0.82981%0.807SS**PPolyproline II helixtrans-70.2136155.8-78.7-34.6000108.9
207L27Very low25.6Very low175 Ų175146.8 Ų146.892%0.91681%0.806SS**  trans-162111.3143.2-104154.9000109.8
208I21.3Very low25.8Very low153 Ų153147.4 Ų147.479%0.78581%0.809SS**  trans-72.5133.1164.1-63.6159.3000106.6
209S26.3Very low25.9Very low123 Ų123143 Ų14386%0.8680%0.799SS**  trans-124.4129163.2-1690000109
210T19.9Very low26Very low123 Ų123142.2 Ų142.276%0.75580%0.801SS**  trans-107.5153.1-170.830000110.6
211A24.4Very low26Very low95 Ų95140.4 Ų140.479%0.78580%0.797SS**  trans100.3159.2158.700000118
212P36.4Very low26.4Very low128 Ų128136.4 Ų136.483%0.83180%0.798SS**  -129.6-174.8-65.537.8-21.7000113.8
213I24.1Very low26.1Very low164 Ų164133.6 Ų133.684%0.84179%0.792SS**  trans-68.1144.8-170.9-48.4162.4000114.4
214S26.8Very low26.2Very low115 Ų115133.7 Ų133.780%0.80479%0.79SS**  trans-161.7143.9134.6-158.50000111.9
215P35.3Very low26.7Very low105 Ų105133.6 Ų133.668%0.68279%0.787SS**  trans-101138.4-172.236-25.2000112.2
216D27.3Very low26.4Very low163 Ų163131.3 Ų131.387%0.87278%0.78SS**  trans-137.2133.4157.8-92.9-39.8000110.5
217H26Very low26.5Very low164 Ų164130.8 Ų130.876%0.75978%0.777SS**  trans-53.8149.8178.4-75.6-98.9000112.6
218I28.8Very low26.5Very low155 Ų155128.7 Ų128.780%0.79577%0.766SS**  -176.3118.3105.4-85152.2000109.2
219T20.5Very low26.7Very low113 Ų113126.4 Ų126.469%0.69376%0.76SS**  trans-78.9135.1163.4-29.60000108.3
220T27.2Very low26.5Very low128 Ų128126.1 Ų126.179%0.78575%0.753SS**  trans-147.9113.8147.6-16.40000110.8
221N22.1Very low26.9Very low131 Ų131127 Ų12770%0.70176%0.758SS**  trans-67.8145.4161-62.9-36.9000109.8
222V29.6Very low26.7Very low146 Ų146128.7 Ų128.789%0.88576%0.759SS**  trans-141132.5141.5-179.50000108.5
223T20.2Very low26.4Very low106 Ų106128.2 Ų128.265%0.6576%0.759SS**  trans-130.2154-168.3-380000108.3
224V27.6Very low26.3Very low124 Ų124126 Ų12675%0.75275%0.753SS**  trans75.6157.9154.9-166.60000116.4
225P37Very low25.9Very low109 Ų109126 Ų12671%0.70875%0.752SS**  cis-120.3168.7-7.914.211.6000113.5
226A23.1Very low25.4Very low83 Ų83127.6 Ų127.669%0.68676%0.76SS**  cis73.7144.345.900000115.8
227N25.5Very low25.1Very low143 Ų143125.8 Ų125.877%0.76576%0.755SS**  trans89.8135.3172.9-64.6-4.1000115.1
228N27.4Very low25.2Very low131 Ų131123.6 Ų123.670%0.70175%0.753SS**  cis-170.1149.428.6-120.1-3.6000112.6
229T24.4Very low24.9Very low106 Ų106120.7 Ų120.765%0.6575%0.746SS**  72.2106.5127.4-45.20000119.8
230T23Very low25.3Very low116 Ų116122.6 Ų122.671%0.71275%0.752SS**  79.5116.988.4-48.40000115.1
231T28.9Very low25.1Very low141 Ų141122.3 Ų122.387%0.86575%0.751SS**  -169.4128.1118.35.20000112.4
232V20.2Very low25.1Very low132 Ų132121.6 Ų121.680%0.875%0.751SS**  trans-81.8139164.2173.90000107.5
233S29.5Very low25Very low118 Ų118120.8 Ų120.883%0.82575%0.746SS**  trans-154.2146.3149.2-146.50000112.4
234T22.4Very low25.1Very low117 Ų117123.3 Ų123.372%0.71876%0.756SS**  trans-87.5153.9-158.820.70000115.3
235C18.3Very low25.2Very low116 Ų116124.8 Ų124.878%0.78476%0.758SS**  trans24.8123.3144.9-60.10000120.6
236T24.8Very low24.5Very low138 Ų138126.8 Ų126.885%0.84776%0.763SS**  -157.2125.1114.2-1.50000112.2
237T21.7Very low24.4Very low125 Ų125132.6 Ų132.677%0.76777%0.768SS**  trans-67.4125.5166.9-46.30000109.4
238T26.5Very low24.5Very low117 Ų117133.1 Ų133.172%0.71877%0.771SS**  trans-123.4102.2161-40.50000108.1N240T238-N240 PolarHBondContact O-N 3.16Å
239S22.6Very low24.5Very low95 Ų95134.8 Ų134.866%0.66478%0.78SS**  trans-78.1108.4168.6-52.60000108
240N28.9Very low24.6Very low153 Ų153134 Ų13482%0.81878%0.784SS**  trans-116.9104.5162.9-81-6.6000108.6T238T238-N240 PolarHBondContact O-N 3.16Å
241T23.4Very low25Very low122 Ų122136.6 Ų136.675%0.74879%0.792SS**  trans-80.1134.8173.2-100000109.8
242T23.1Very low24.7Very low116 Ų116136.2 Ų136.271%0.71279%0.785SS**  trans62.2108.5145.2-31.50000119.3
243T25.9Very low24.9Very low128 Ų128136.2 Ų136.279%0.78578%0.78SS**  -148.6113.9125.6-35.80000109.9I245T243-I245 PolarHBondContact O-N 2.96Å
244N23.3Very low24.6Very low159 Ų159139.6 Ų139.685%0.8578%0.782SS**  trans-59.3124.1162.9-104.5-24.4000108.8
245I28.5Very low24.6Very low156 Ų156141.5 Ų141.580%0.879%0.788SS**  trans-123115.9162.4-54.3179.8000106.9T243T243-I245 PolarHBondContact O-N 2.96Å
246N23.6Very low25Very low150 Ų150142 Ų14280%0.80279%0.787SS**  trans-78.6150.1-173.1-153.33.9000110.8
247Y21.3Very low24.9Very low206 Ų206143.8 Ų143.881%0.80879%0.786SS**  trans-60.6139.2171.7-86.4-102.2000111.5
248N26.1Very low25Very low153 Ų153147.6 Ų147.682%0.81879%0.788SS**  trans169.4102.2132.9-84.4-15000109.4
249N28.3Very low25Very low166 Ų166149.5 Ų149.589%0.88879%0.793SS**  trans-121.3108.7151.5-98.9-6.1000107.4
250A25.5Very low25Very low89 Ų89151.4 Ų151.474%0.73680%0.796SS**  trans-63.1135.4166.300000109.8
251I31.5Very low24.9Very low172 Ų172149.7 Ų149.788%0.88280%0.795SS**  trans-125.8106.3154.5-61.1179.6000105.5
252D23.7Very low25Very low132 Ų132151.3 Ų151.371%0.70680%0.799SS**  trans-68.7153.4171.9-90.6-40.1000112.2
253N23.3Very low25.2Very low132 Ų132151.9 Ų151.971%0.70680%0.802SS**  trans74.5105.8151.5-64.6-25.4000119.8
254H24.9Very low25.2Very low189 Ų189152.4 Ų152.488%0.87580%0.799SS**  -156.2115.6110.2-98.1-49.5000112.2
255D20.7Very low25.3Very low157 Ų157152.2 Ų152.284%0.8480%0.798SS**  trans-58122154.7-88.7-45.5000110.6
256V28.3Very low25.1Very low126 Ų126149.5 Ų149.576%0.76480%0.799SS**  trans-150.6106.3149.1-177.20000110.6
257H22.3Very low25.2Very low177 Ų177150.4 Ų150.482%0.81980%0.802SS**  trans51.3119.3143-90.8-84.4000122.9N259H257-N259 PolarHBondContact O-N 3.38Å
258Y23.5Very low25.3Very low205 Ų205145.9 Ų145.980%0.80480%0.8SS**  trans-37.8127.2144.4-88.8-99.7000112.8
259N26Very low25.1Very low156 Ų156145 Ų14583%0.83480%0.8SS**  trans-137.9110.5142.2-97.1-19000108.3H257 C261H257-N259 PolarHBondContact O-N 3.38Å; N259-C261 PolarHBondContact O-N 3.15Å
260D23.4Very low25Very low136 Ų136144.5 Ų144.573%0.72780%0.796SS**  trans-53.6121157.3-80.5-40000109.1
261C25.5Very low24.8Very low116 Ų116144.4 Ų144.478%0.78479%0.79SS**  trans-140.280.4153.3-86.90000107.1N259 T263N259-C261 PolarHBondContact O-N 3.15Å; C261-T263 VanDerWaalsContact C-N 3.3Å; C261-T263 PolarHBondContact O-N 3.12Å
262D25.5Very low24.8Very low157 Ų157142.7 Ų142.784%0.8479%0.79SS**  trans-54.397.9146.9-85.1-37.9000108.2
263T28.5Very low24.9Very low128 Ų128141 Ų14179%0.78579%0.788SS**  trans-144.3105.4151.2-43.40000109.6C261C261-T263 VanDerWaalsContact C-N 3.3Å; C261-T263 PolarHBondContact O-N 3.12Å
264I26.4Very low25.1Very low139 Ų139143 Ų14371%0.71379%0.794SS**  trans-50.2141.1171.6-66.4164.5000111.6
265N25.5Very low25Very low155 Ų155143 Ų14383%0.82979%0.791SS**  trans64.278.4160-64.3-14.8000117.8
266A24.6Very low25.1Very low98 Ų98141.4 Ų141.481%0.8178%0.781SS**  trans-116.7108.414500000108.8C268A266-C268 PolarHBondContact O-N 3.32Å
267L24.7Very low24.9Very low169 Ų169145.1 Ų145.189%0.88578%0.783SS**  trans-39.7113178.3-15278.7000111.3T269L267-T269 PolarHBondContact O-N 3.45Å
268C23.6Very low25Very low112 Ų112144.1 Ų144.176%0.75778%0.779SS**  trans-57.4105.4172-87.70000109.8A266 I270A266-C268 PolarHBondContact O-N 3.32Å; C268-I270 HydrophobicContact CB-CG1 4.15Å; C268-I270 PolarHBondContact O-N 2.93Å
269T21.6Very low25Very low135 Ų135142.6 Ų142.683%0.82878%0.779SS**  trans-66.388.6157.737.70000107.9L267 S271L267-T269 PolarHBondContact O-N 3.45Å; T269-S271 PolarHBondContact O-N 2.92Å; T269-S271 VanDerWaalsContact O-N 3.08Å
270I25.6Very low25Very low154 Ų154141.2 Ų141.279%0.7977%0.77SS**  trans-71.5103.8173.4-56.4174.1000106.8C268C268-I270 HydrophobicContact CB-CG1 4.15Å; C268-I270 PolarHBondContact O-N 2.93Å
271S22.6Very low24.9Very low87 Ų87142.2 Ų142.261%0.60877%0.77SS**  trans-62.3139.7171.4-75.30000110.2T269 S273T269-S271 PolarHBondContact O-N 2.92Å; T269-S271 VanDerWaalsContact O-N 3.08Å; S271-S273 PolarHBondContact O-N 2.61Å
272P31Very low25Very low137 Ų137143 Ų14389%0.8977%0.766SS**SBendtrans-79.969.3-173.333.4-34.2000110.6
273S26.5Very low24.9Very low96 Ų96141.4 Ų141.467%0.67176%0.763SS**  trans-162.457.6170.367.60000112.2S271S271-S273 PolarHBondContact O-N 2.61Å
274Q26.2Very low24.8Very low175 Ų175140.6 Ų140.682%0.81876%0.762SS**  trans-157.2101.2159.3-108.5156.628.700110.5I276Q274-I276 PolarHBondContact O-N 3.44Å
275K23.4Very low24.8Very low187 Ų187140.8 Ų140.881%0.81376%0.764SS**  trans-57.4112.5162.7-73.5173.7173.3178.70108Y277K275-Y277 HydrophobicContact CB-CD2 4.49Å; K275-Y277 HydrophobicContact CD-CE2 4.39Å
276I23.7Very low25.1Very low124 Ų124139.7 Ų139.764%0.63676%0.759SS**  trans-114.194.9161.3-61.2177.6000106.5Q274 Q278Q274-I276 PolarHBondContact O-N 3.44Å; I276-Q278 HydrophobicContact CG2-CB 4.09Å; I276-Q278 HydrophobicContact CG2-CG 3.7Å; I276-Q278 PolarHBondContact O-N 2.96Å
277Y24Very low25.4Very low204 Ų204143.2 Ų143.280%0.876%0.764SS**  trans-6883.4158.1-77.9-92.6000106.9K275K275-Y277 HydrophobicContact CB-CD2 4.49Å; K275-Y277 HydrophobicContact CD-CE2 4.39Å
278Q23.6Very low25.6Very low156 Ų156140.7 Ų140.773%0.72975%0.749SS**  trans-97.5104.4156.9-89.4179.2-5.900106.5I276 I280I276-Q278 HydrophobicContact CG2-CB 4.09Å; I276-Q278 HydrophobicContact CG2-CG 3.7Å; I276-Q278 PolarHBondContact O-N 2.96Å; Q278-I280 VanDerWaalsContact C-N 3.32Å; Q278-I280 PolarHBondContact O-N 3.38Å
279E23.3Very low25.8Very low174 Ų174145 Ų14581%0.81375%0.749SS**  trans-43.8103.6154.5-174174.8-162.700106.8Q281E279-Q281 PolarHBondContact O-N 3.41Å
280I26.1Very low26.1Very low127 Ų127144.6 Ų144.665%0.65175%0.749SS**  trans-68.687.3176.5-57.6172.1000105Q278 L282Q278-I280 VanDerWaalsContact C-N 3.32Å; Q278-I280 PolarHBondContact O-N 3.38Å; I280-L282 HydrophobicContact CG2-CD1 3.93Å; I280-L282 PolarHBondContact O-N 3.24Å
281Q22Very low26.5Very low156 Ų156141 Ų14173%0.72973%0.726SS**  trans-60.298153.8-79.6-1685.800104.7E279 T283E279-Q281 PolarHBondContact O-N 3.41Å; Q281-T283 PolarHBondContact O-N 3.3Å
282L26.5Very low27Very low132 Ų132146.3 Ų146.369%0.69173%0.733SS**  trans-63.589.5172.4-147.889.3000105.9I280 S284I280-L282 HydrophobicContact CG2-CD1 3.93Å; I280-L282 PolarHBondContact O-N 3.24Å; L282-S284 VanDerWaalsContact C-N 3.32Å; L282-S284 PolarHBondContact O-N 3.21Å
283T24.3Very low27.2Very low125 Ų125145.1 Ų145.177%0.76772%0.718SS**  trans-63.199.8170.944.10000106.3Q281 N285Q281-T283 PolarHBondContact O-N 3.3Å; T283-N285 PolarHBondContact O-N 2.91Å
284S25.7Very low27.6Very low110 Ų110144.5 Ų144.577%0.76970%0.703SS**  trans-70.191.5-17857.50000109.6L282L282-S284 VanDerWaalsContact C-N 3.32Å; L282-S284 PolarHBondContact O-N 3.21Å
285N27.2Very low28.1Very low143 Ų143137.8 Ų137.877%0.76567%0.671SS**  trans-98.9133.3152.8-89-9.9000108.2T283T283-N285 PolarHBondContact O-N 2.91Å
286D31.1Very low28.9Very low133 Ų133131.1 Ų131.171%0.71164%0.642SS**SBendtrans77.9101.4167.6-54.6-32.9000118.2M288D286-M288 WeakPolarHBondContact O-CG 3.43Å; D286-M288 PolarHBondContact O-N 2.78Å
287N31.8Very low29.4Very low171 Ų171128.4 Ų128.491%0.91463%0.627SS**  trans37.631.1135.6-75-13.3000120.2R289N287-R289 PolarHBondContact O-N 3.48Å
288M27.7Very low30.1Very low117 Ų117119.9 Ų119.958%0.57660%0.599SS**  trans-75117.9179.7-64.8-104.5-141.700110.3D286 Y291D286-M288 WeakPolarHBondContact O-CG 3.43Å; D286-M288 PolarHBondContact O-N 2.78Å; M288-Y291 HydrophobicContact CB-CE1 4.21Å; M288-Y291 HydrophobicContact CB-CE2 3.67Å; M288-Y291 VanDerWaalsContact CB-CZ 3.41Å; M288-Y291 WeakPolarHBondContact CB-OH 3.23Å; M288-Y291 WeakPolarHBondContact CE-OH 3.37Å; M288-Y291 HydrophobicContact CG-CE1 4.49Å; M288-Y291 HydrophobicContact CG-CE2 4.4Å; M288-Y291 WeakPolarHBondContact CG-OH 3.17Å; M288-Y291 HydrophobicContact SD-CE1 3.76Å; M288-Y291 VanDerWaalsContact SD-CZ 3.51Å; M288-Y291 PolarHBondContact SD-OH 2.81Å
289R28.8Very low30.7Very low201 Ų201116.8 Ų116.876%0.75859%0.593SS**  trans-50.9150.9168.3-76.5-178.5176.1-174.8-0.4110N287 Y291N287-R289 PolarHBondContact O-N 3.48Å; R289-Y291 PolarHBondContact O-N 2.77Å
290P27.5Very low31.1Very low127 Ų127115.9 Ų115.983%0.82558%0.583SS**  trans-59.4112-176.423.6-33.3000110.8
291Y34.2Very low31.6Very low79 Ų79115.3 Ų115.331%0.3159%0.588SS.*  trans-64.4139.6176.1-50.4-87.9000110.7M288 R289 Y335 V337M288-Y291 HydrophobicContact CB-CE1 4.21Å; M288-Y291 HydrophobicContact CB-CE2 3.67Å; M288-Y291 VanDerWaalsContact CB-CZ 3.41Å; M288-Y291 WeakPolarHBondContact CB-OH 3.23Å; M288-Y291 WeakPolarHBondContact CE-OH 3.37Å; M288-Y291 HydrophobicContact CG-CE1 4.49Å; M288-Y291 HydrophobicContact CG-CE2 4.4Å; M288-Y291 WeakPolarHBondContact CG-OH 3.17Å; M288-Y291 HydrophobicContact SD-CE1 3.76Å; M288-Y291 VanDerWaalsContact SD-CZ 3.51Å; M288-Y291 PolarHBondContact SD-OH 2.81Å; R289-Y291 PolarHBondContact O-N 2.77Å; Y291-Y335 HydrophobicContact CD1-CE1 4.38Å; Y291-Y335 HydrophobicContact CD1-CE2 4.33Å; Y291-Y335 AromaticContact CD1-CZ 3.75Å; Y291-Y335 VanDerWaalsContact CD1-OH 3.27Å; Y291-Y335 WeakPolarHBondContact CD1-OH 3.27Å; Y291-Y335 HydrophobicContact CD2-CE2 4.44Å; Y291-Y335 WeakPolarHBondContact CD2-OH 3.01Å; Y291-Y335 HydrophobicContact CE1-CE1 4.43Å; Y291-Y335 AromaticContact CE1-CZ 4Å; Y291-Y335 VanDerWaalsContact CE1-OH 3.24Å; Y291-Y335 WeakPolarHBondContact CE1-OH 3.02Å; Y291-Y335 WeakPolarHBondContact CE2-OH 3.2Å; Y291-Y335 AromaticContact CG-CE2 3.99Å; Y291-Y335 HydrophobicContact CG-CE2 3.99Å; Y291-Y335 AromaticContact CG-CZ 3.76Å; Y291-V337 HydrophobicContact CE1-CG1 4.11Å
292R31.9Very low32.2Very low198 Ų198116.2 Ų116.275%0.74759%0.593SS**  trans-112116.7177.7-161.9173-178.9175.2-0.6109.2K294R292-K294 PolarHBondContact O-N 3.17Å
293L35.2Very low32.7Very low113 Ų113111.7 Ų111.759%0.59258%0.578SS**  trans-64.8115.8175.2-158.586.1000109.3Y333L293-Y333 HydrophobicContact CD2-CD1 4.43Å
294K35.8Very low33.6Very low82 Ų82108.4 Ų108.436%0.35756%0.555SS.*BIsolated β-bridgetrans-107.5117.7170.7-82.4-172.9174.1178.60108R292 F296 L334 C339R292-K294 PolarHBondContact O-N 3.17Å; K294-F296 HydrophobicContact CB-CD2 4.27Å; K294-F296 HydrophobicContact CB-CE2 3.7Å; K294-F296 HydrophobicContact CB-CZ 4.46Å; K294-F296 HydrophobicContact CD-CE2 4.41Å; K294-F296 HydrophobicContact CD-CZ 4.4Å; K294-L334 WeakPolarHBondContact O-CB 3.17Å; K294-L334 VanDerWaalsContact O-O 3.11Å; K294-C339 VanDerWaalsContact CE-SG 3.52Å; K294-C339 PolarHBondContact NZ-SG 2.81Å; K294-C339 VanDerWaalsContact NZ-SG 3.41Å
295R37.4Very low34.2Very low35 Ų35109 Ų10913%0.13255%0.546CS..  trans-86.4118.7175.9-171.4175.3-177.6173.2-1.3108.8N70 S71 I72N70-R295 PolarHBondContact O-NH1 2.78Å; S71-R295 VanDerWaalsContact CA-NH1 3.27Å; I72-R295 WeakPolarHBondContact CD1-O 3.41Å
296F38.7Very low35Very low47 Ų47108.5 Ų108.521%0.20655%0.554CS.*  trans-101.4150.4171.2-61.2-111.1000110.7K294 G303 L334K294-F296 HydrophobicContact CB-CD2 4.27Å; K294-F296 HydrophobicContact CB-CE2 3.7Å; K294-F296 HydrophobicContact CB-CZ 4.46Å; K294-F296 HydrophobicContact CD-CE2 4.41Å; K294-F296 HydrophobicContact CD-CZ 4.4Å; F296-G303 WeakPolarHBondContact CD1-O 2.75Å; F296-G303 VanDerWaalsContact CE1-O 3.23Å; F296-G303 WeakPolarHBondContact CE1-O 3.34Å; F296-L334 HydrophobicContact CB-CD1 3.41Å; F296-L334 VanDerWaalsContact CB-CD1 3.41Å; F296-L334 HydrophobicContact CD2-CB 3.94Å; F296-L334 HydrophobicContact CD2-CD1 3.11Å; F296-L334 HydrophobicContact CD2-CG 4.1Å; F296-L334 HydrophobicContact CE2-CB 4.35Å; F296-L334 HydrophobicContact CE2-CD1 3.97Å; F296-L334 HydrophobicContact CG-CD1 3.47Å; F296-L334 VanDerWaalsContact CG-CD1 3.47Å
297M34.1Very low35.7Very low66 Ų66106 Ų10633%0.32556%0.56SS.*  trans-87.7112-173.4-60.3-119.572.600109.8I72 L73 Y300I72-M297 HydrophobicContact CD1-CG 4.33Å; L73-M297 HydrophobicContact CD1-CE 3.82Å; L73-M297 HydrophobicContact CD2-CE 3.49Å; L73-M297 VanDerWaalsContact CD2-CE 3.49Å; L73-M297 HydrophobicContact CD2-SD 3.42Å; L73-M297 WeakPolarHBondContact CD2-SD 3.36Å; L73-M297 HydrophobicContact CG-CE 3.56Å; L73-M297 HydrophobicContact CG-SD 4.13Å; M297-Y300 PolarHBondContact O-N 2.85Å
298A39.4Very low36.4Very low26 Ų26100.9 Ų100.922%0.21553%0.532CS..THydrogen-bonded Turntrans-89148.9156.400000109.9Y103 I332Y103-A298 PolarHBondContact OH-O 3.33Å; A298-I332 HydrophobicContact CB-CD1 3.96Å
299P36Very low37.6Very low91 Ų9198.7 Ų98.759%0.59152%0.523SS*.THydrogen-bonded Turncis-10578.46.536.9-25.7000110.8
300Y31.9Very low38.7Very low155 Ų15593.4 Ų93.461%0.60852%0.515SS*.  trans-129.7109.3159.7-75.1-83.7000108.2M297 E302 G303M297-Y300 PolarHBondContact O-N 2.85Å; Y300-E302 PolarHBondContact O-N 2.86Å; Y300-G303 PolarHBondContact O-N 3.32Å
301C35.8Very low39.9Very low114 Ų11496 Ų9677%0.7751%0.513SS*.G310 helixtrans-55.9-14161.1-62.60000111.8G303 L304C301-G303 PolarHBondContact O-N 3.38Å; C301-G303 VanDerWaalsContact O-N 3.12Å; C301-L304 PolarHBondContact O-N 3.24Å
302E34.9Very low40.8Very low176 Ų17698 Ų9882%0.82253%0.529SS*.G310 helixtrans-70.83.7177.8-64.2-173.8154.200115.2Y300Y300-E302 PolarHBondContact O-N 2.86Å
303G38Very low41.8Very low37 Ų3790 Ų9038%0.38150%0.501SS..G310 helixtrans-117.1-9.3173.800000115.1F296 Y300 C301 E305F296-G303 WeakPolarHBondContact CD1-O 2.75Å; F296-G303 VanDerWaalsContact CE1-O 3.23Å; F296-G303 WeakPolarHBondContact CE1-O 3.34Å; Y300-G303 PolarHBondContact O-N 3.32Å; C301-G303 PolarHBondContact O-N 3.38Å; C301-G303 VanDerWaalsContact O-N 3.12Å; G303-E305 PolarHBondContact O-N 3.38Å; G303-E305 VanDerWaalsContact O-N 3.15Å
304L41.9Very low42.9Very low55 Ų5588.2 Ų88.229%0.28849%0.491SS..SBendtrans-66.8116.4170.1-73.1161.9000105.9C301 S306 L308 L313C301-L304 PolarHBondContact O-N 3.24Å; L304-S306 PolarHBondContact O-N 3.12Å; L304-S306 VanDerWaalsContact O-N 3.12Å; L304-L308 HydrophobicContact CD2-CB 3.8Å; L304-L308 HydrophobicContact CD2-CD1 3.62Å; L304-L308 HydrophobicContact CD2-CG 4.37Å; L304-L313 HydrophobicContact CD2-CD1 4.38Å
305E40.2Very low44Very low122 Ų12286.7 Ų86.757%0.5749%0.485SS*.  trans-48.9126.6163.8-73.2179.6-166.300107G303 G307 L308G303-E305 PolarHBondContact O-N 3.38Å; G303-E305 VanDerWaalsContact O-N 3.15Å; E305-G307 PolarHBondContact O-N 3.05Å; E305-L308 PolarHBondContact O-N 2.92Å
306S42.4Very low44.9Very low133 Ų13386.3 Ų86.393%0.9349%0.486SS*.THydrogen-bonded Turntrans-47.4110.8178.2-580000109.1L304L304-S306 PolarHBondContact O-N 3.12Å; L304-S306 VanDerWaalsContact O-N 3.12Å
307G46.8Very low45.9Very low82 Ų8287.8 Ų87.885%0.84549%0.491SS*.THydrogen-bonded Turntrans132.6-11.9-178.900000116.1E305 N309E305-G307 PolarHBondContact O-N 3.05Å; G307-N309 PolarHBondContact O-N 3.43Å
308L46.9Very low46.9Very low62 Ų6290 Ų9033%0.32550%0.497SS..  trans-79.6116.2174.1-70.8171.5000111.3L304 E305 L313L304-L308 HydrophobicContact CD2-CB 3.8Å; L304-L308 HydrophobicContact CD2-CD1 3.62Å; L304-L308 HydrophobicContact CD2-CG 4.37Å; E305-L308 PolarHBondContact O-N 2.92Å; L308-L313 HydrophobicContact CB-CD2 4.49Å
309N52.5Low47.6Very low72 Ų7290.7 Ų90.739%0.38550%0.497SS..  trans-78.9127.3171.9-175.4-9.3000109.5G307 K311 D312G307-N309 PolarHBondContact O-N 3.43Å; N309-K311 PolarHBondContact O-N 2.97Å; N309-K311 PolarHBondContact OD1-N 3.2Å; N309-K311 VanDerWaalsContact OD1-N 3.12Å; N309-D312 WeakPolarHBondContact CB-OD2 3.32Å; N309-D312 PolarHBondContact O-N 3Å
310P52.3Low48.2Very low90 Ų9089.2 Ų89.258%0.58449%0.487SS*.G310 helixtrans-51.8-29.5175.1-29.236000114.4D312 L313P310-D312 PolarHBondContact O-N 3.36Å; P310-L313 WeakPolarHBondContact O-CB 3.31Å; P310-L313 PolarHBondContact O-N 2.83Å
311K52.3Low49.3Very low182 Ų18291.4 Ų91.479%0.79150%0.5SS*.G310 helixtrans-67.9-22177.3-64.3-175.4178.2-177.80114N309 L313N309-K311 PolarHBondContact O-N 2.97Å; N309-K311 PolarHBondContact OD1-N 3.2Å; N309-K311 VanDerWaalsContact OD1-N 3.12Å; K311-L313 VanDerWaalsContact C-N 3.31Å
312D52.6Low50.4Low119 Ų11992.7 Ų92.764%0.63650%0.495SS*.G310 helixtrans-91.1-0.6179-57.7-26.3000111.6N309 P310N309-D312 WeakPolarHBondContact CB-OD2 3.32Å; N309-D312 PolarHBondContact O-N 3Å; P310-D312 PolarHBondContact O-N 3.36Å
313L53.8Low51.3Low30 Ų3085.3 Ų85.316%0.15747%0.466CS..PPolyproline II helixtrans-89132.3-178.9-48.7-177000110.6L304 L308 P310 K311 L334L304-L313 HydrophobicContact CD2-CD1 4.38Å; L308-L313 HydrophobicContact CB-CD2 4.49Å; P310-L313 WeakPolarHBondContact O-CB 3.31Å; P310-L313 PolarHBondContact O-N 2.83Å; K311-L313 VanDerWaalsContact C-N 3.31Å; L313-L334 HydrophobicContact CB-CD2 4.16Å; L313-L334 HydrophobicContact CD1-CD2 4.11Å; L313-L334 HydrophobicContact CD2-CD2 3.18Å; L313-L334 HydrophobicContact CG-CD2 3.96Å
314I56.7Low52.3Low77 Ų7789.4 Ų89.440%0.39548%0.479SS..PPolyproline II helixtrans-101.8122172.4-57.7176.3000107.5V316 I326I314-V316 HydrophobicContact CG2-CG2 4.05Å; I314-I326 HydrophobicContact CG2-CB 4.37Å; I314-I326 HydrophobicContact CG2-CD1 4.17Å; I314-I326 HydrophobicContact CG2-CG1 3.97Å; I314-I326 HydrophobicContact CG2-CG2 3.59Å
315H58.7Low53.1Low50 Ų5088.3 Ų88.323%0.23147%0.473CS..EExtended strand (participates in β ladder)trans-82.8133.4173.3-53.1-119.6000108.7I326 S327 G330H315-I326 CarbonylContact O-C 3.47Å; H315-I326 VanDerWaalsContact O-CA 3.24Å; H315-I326 WeakPolarHBondContact O-CA 3.44Å; H315-S327 VanDerWaalsContact CB-O 3.29Å; H315-S327 WeakPolarHBondContact CB-O 3.42Å; H315-S327 PolarHBondContact O-N 2.76Å; H315-G330 PolarHBondContact ND1-O 2.92Å
316V57.6Low54.1Low26 Ų2687.5 Ų87.516%0.15847%0.472CS..EExtended strand (participates in β ladder)trans-133.4130178.6-177.20000107.3I314 N324 I325 I326 P331 Y333I314-V316 HydrophobicContact CG2-CG2 4.05Å; V316-N324 HydrophobicContact CG1-CB 3.69Å; V316-I325 CarbonylContact C-O 3.5Å; V316-I325 WeakPolarHBondContact CA-O 3.22Å; V316-I326 HydrophobicContact CG2-CG1 4.21Å; V316-P331 VanDerWaalsContact O-O 3.05Å; V316-Y333 WeakPolarHBondContact O-CD2 3.12Å; V316-Y333 WeakPolarHBondContact O-CE2 3.24Å
317Y59.5Low55Low79 Ų7982.4 Ų82.431%0.3144%0.436SS..EExtended strand (participates in β ladder)trans-120161.5170.269.8-88.3000110.6D319 N324 I325Y317-D319 HydrophobicContact CE2-CB 4.24Å; Y317-N324 CarbonylContact O-C 3.5Å; Y317-N324 WeakPolarHBondContact O-CA 3.31Å; Y317-I325 HydrophobicContact CD1-CB 4.22Å; Y317-I325 HydrophobicContact CD1-CG2 4.49Å; Y317-I325 HydrophobicContact CE1-CB 3.73Å; Y317-I325 HydrophobicContact CE1-CG2 3.64Å; Y317-I325 HydrophobicContact CE2-CB 4.11Å; Y317-I325 HydrophobicContact CE2-CD1 3.81Å; Y317-I325 HydrophobicContact CE2-CG1 4.39Å; Y317-I325 PolarHBondContact N-O 2.76Å; Y317-I325 PolarHBondContact O-N 3.24Å; Y317-I325 WeakPolarHBondContact OH-CD1 3.37Å
318Y55.2Low55.4Low112 Ų11283.4 Ų83.444%0.43943%0.428SS..EExtended strand (participates in β ladder)trans-98.2117177.9-177.4-97.8000111.7
319D54.5Low55.6Low40 Ų4086.8 Ų86.821%0.21445%0.446CS..EExtended strand (participates in β ladder)trans-94.9128.1167.1-177.1-87.1000110.6Y317 K321 Q322 G323 I325Y317-D319 HydrophobicContact CE2-CB 4.24Å; D319-K321 PolarHBondContact O-N 2.9Å; D319-K321 VanDerWaalsContact OD1-CA 3.31Å; D319-K321 WeakPolarHBondContact OD1-CA 3.29Å; D319-K321 WeakPolarHBondContact OD1-CB 3.24Å; D319-K321 PolarHBondContact OD1-N 2.92Å; D319-Q322 HydrophobicContact CB-CB 4.1Å; D319-Q322 PolarHBondContact O-N 3.08Å; D319-Q322 PolarHBondContact OD1-N 2.96Å; D319-G323 PolarHBondContact N-O 2.73Å; D319-G323 VanDerWaalsContact O-CA 3.31Å; D319-G323 WeakPolarHBondContact O-CA 3.39Å; D319-G323 PolarHBondContact O-N 2.8Å; D319-I325 HydrophobicContact CB-CD1 3.51Å; D319-I325 HydrophobicContact CB-CG1 4.2Å
320P48.3Very low55.3Low61 Ų6185 Ų8540%0.39644%0.444SS..THydrogen-bonded Turntrans-62.1-22.2-179-24.834.2000115.7
321K55.3Low54.9Low200 Ų20082.2 Ų82.287%0.8743%0.427SS*.THydrogen-bonded Turntrans-97.1-38.8-179.7-62.5179-179.8174.70111.8D319D319-K321 PolarHBondContact O-N 2.9Å; D319-K321 VanDerWaalsContact OD1-CA 3.31Å; D319-K321 WeakPolarHBondContact OD1-CA 3.29Å; D319-K321 WeakPolarHBondContact OD1-CB 3.24Å; D319-K321 PolarHBondContact OD1-N 2.92Å
322Q58.7Low54.6Low142 Ų14275.4 Ų75.466%0.66440%0.398SS*.THydrogen-bonded Turntrans-103.8-15.4-171.1-57.4-178.312.700113.4D319 I325D319-Q322 HydrophobicContact CB-CB 4.1Å; D319-Q322 PolarHBondContact O-N 3.08Å; D319-Q322 PolarHBondContact OD1-N 2.96Å; Q322-I325 HydrophobicContact CB-CD1 3.98Å; Q322-I325 HydrophobicContact CB-CG1 4.29Å
323G53.3Low54.3Low21 Ų2171.1 Ų71.122%0.21637%0.374CS..EExtended strand (participates in β ladder)trans85.8-144.3-175.900000112.6D319D319-G323 PolarHBondContact N-O 2.73Å; D319-G323 VanDerWaalsContact O-CA 3.31Å; D319-G323 WeakPolarHBondContact O-CA 3.39Å; D319-G323 PolarHBondContact O-N 2.8Å
324N58.4Low53.9Low122 Ų12270 Ų7065%0.65237%0.368SS*.EExtended strand (participates in β ladder)trans-76.7123.5-178.9-67.8-28.1000110.4V316 Y317V316-N324 HydrophobicContact CG1-CB 3.69Å; Y317-N324 CarbonylContact O-C 3.5Å; Y317-N324 WeakPolarHBondContact O-CA 3.31Å
325I58.7Low53Low33 Ų3370.5 Ų70.517%0.16937%0.365CS..EExtended strand (participates in β ladder)trans-115.9129.5179.9-59.7176.6000109.3V316 Y317 D319 Q322V316-I325 CarbonylContact C-O 3.5Å; V316-I325 WeakPolarHBondContact CA-O 3.22Å; Y317-I325 HydrophobicContact CD1-CB 4.22Å; Y317-I325 HydrophobicContact CD1-CG2 4.49Å; Y317-I325 HydrophobicContact CE1-CB 3.73Å; Y317-I325 HydrophobicContact CE1-CG2 3.64Å; Y317-I325 HydrophobicContact CE2-CB 4.11Å; Y317-I325 HydrophobicContact CE2-CD1 3.81Å; Y317-I325 HydrophobicContact CE2-CG1 4.39Å; Y317-I325 PolarHBondContact N-O 2.76Å; Y317-I325 PolarHBondContact O-N 3.24Å; Y317-I325 WeakPolarHBondContact OH-CD1 3.37Å; D319-I325 HydrophobicContact CB-CD1 3.51Å; D319-I325 HydrophobicContact CB-CG1 4.2Å; Q322-I325 HydrophobicContact CB-CD1 3.98Å; Q322-I325 HydrophobicContact CB-CG1 4.29Å
326I62.3Low52Low105 Ų10570 Ų7054%0.53837%0.367SS..EExtended strand (participates in β ladder)trans-74.5127.7171.2-62.2170.8000108.9I314 H315 V316I314-I326 HydrophobicContact CG2-CB 4.37Å; I314-I326 HydrophobicContact CG2-CD1 4.17Å; I314-I326 HydrophobicContact CG2-CG1 3.97Å; I314-I326 HydrophobicContact CG2-CG2 3.59Å; H315-I326 CarbonylContact O-C 3.47Å; H315-I326 VanDerWaalsContact O-CA 3.24Å; H315-I326 WeakPolarHBondContact O-CA 3.44Å; V316-I326 HydrophobicContact CG2-CG1 4.21Å
327S60.1Low50.9Low26 Ų2672.3 Ų72.318%0.18238%0.381CS..EExtended strand (participates in β ladder)trans-119150.6177.8-160.60000110.8H315 D329H315-S327 VanDerWaalsContact CB-O 3.29Å; H315-S327 WeakPolarHBondContact CB-O 3.42Å; H315-S327 PolarHBondContact O-N 2.76Å; S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 WeakPolarHBondContact CB-O 3.39Å; S327-D329 PolarHBondContact OG-N 2.91Å; S327-D329 PolarHBondContact OG-O 2.98Å
328P56.3Low49.4Very low103 Ų10374.9 Ų74.967%0.66940%0.4SS*.SBendtrans-72.3-31.1162.628.2-32000111.5
329D50.2Low48.4Very low132 Ų13271.9 Ų71.971%0.70640%0.395SS*.SBendtrans-133.4121.2-175.5-52.6-54.6000109.3S327S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 WeakPolarHBondContact CB-O 3.39Å; S327-D329 PolarHBondContact OG-N 2.91Å; S327-D329 PolarHBondContact OG-O 2.98Å
330G46.6Very low47.3Very low34 Ų3475 Ų7535%0.35142%0.417SS..SBendtrans159.6177.2-17800000115.1H315 I332H315-G330 PolarHBondContact ND1-O 2.92Å; G330-I332 PolarHBondContact O-N 3.19Å
331P44.4Very low46.5Very low33 Ų3378 Ų7821%0.21443%0.434CS..  trans-57.2133.7-177.424-32.7000110.7V316 Y333V316-P331 VanDerWaalsContact O-O 3.05Å; P331-Y333 HydrophobicContact CB-CE2 4.26Å; P331-Y333 HydrophobicContact CG-CE2 4.38Å; P331-Y333 PolarHBondContact O-N 3.49Å
332I46.2Very low45.5Very low39 Ų3981 Ų8120%0.245%0.452CS..  trans-77.3119.9-175.6-59.2179.4000109.5A298 G330 L334A298-I332 HydrophobicContact CB-CD1 3.96Å; G330-I332 PolarHBondContact O-N 3.19Å; I332-L334 HydrophobicContact CG2-CD1 3.64Å; I332-L334 HydrophobicContact CG2-CD2 4.32Å; I332-L334 HydrophobicContact CG2-CG 3.5Å
333Y45Very low44.9Very low29 Ų2978 Ų7811%0.11444%0.441CS..  trans-120.798.6160.8-68.4-114.8000105.8L293 V316 P331 Y335L293-Y333 HydrophobicContact CD2-CD1 4.43Å; V316-Y333 WeakPolarHBondContact O-CD2 3.12Å; V316-Y333 WeakPolarHBondContact O-CE2 3.24Å; P331-Y333 HydrophobicContact CB-CE2 4.26Å; P331-Y333 HydrophobicContact CG-CE2 4.38Å; P331-Y333 PolarHBondContact O-N 3.49Å; Y333-Y335 PolarHBondContact O-N 3.02Å
334L46.5Very low44.4Very low7 Ų781 Ų814%0.03745%0.453CS..BIsolated β-bridgetrans-69.1124.5-175.4-78.7144.4000110.9K294 F296 L313 I332K294-L334 WeakPolarHBondContact O-CB 3.17Å; K294-L334 VanDerWaalsContact O-O 3.11Å; F296-L334 HydrophobicContact CB-CD1 3.41Å; F296-L334 VanDerWaalsContact CB-CD1 3.41Å; F296-L334 HydrophobicContact CD2-CB 3.94Å; F296-L334 HydrophobicContact CD2-CD1 3.11Å; F296-L334 HydrophobicContact CD2-CG 4.1Å; F296-L334 HydrophobicContact CE2-CB 4.35Å; F296-L334 HydrophobicContact CE2-CD1 3.97Å; F296-L334 HydrophobicContact CG-CD1 3.47Å; F296-L334 VanDerWaalsContact CG-CD1 3.47Å; L313-L334 HydrophobicContact CB-CD2 4.16Å; L313-L334 HydrophobicContact CD1-CD2 4.11Å; L313-L334 HydrophobicContact CD2-CD2 3.18Å; L313-L334 HydrophobicContact CG-CD2 3.96Å; I332-L334 HydrophobicContact CG2-CD1 3.64Å; I332-L334 HydrophobicContact CG2-CD2 4.32Å; I332-L334 HydrophobicContact CG2-CG 3.5Å
335Y38.4Very low43.6Very low86 Ų8678.7 Ų78.734%0.33744%0.442SS..  trans-91.2113.3161.2-173.5-106000107.6Y291 Y333 V337Y291-Y335 HydrophobicContact CD1-CE1 4.38Å; Y291-Y335 HydrophobicContact CD1-CE2 4.33Å; Y291-Y335 AromaticContact CD1-CZ 3.75Å; Y291-Y335 VanDerWaalsContact CD1-OH 3.27Å; Y291-Y335 WeakPolarHBondContact CD1-OH 3.27Å; Y291-Y335 HydrophobicContact CD2-CE2 4.44Å; Y291-Y335 WeakPolarHBondContact CD2-OH 3.01Å; Y291-Y335 HydrophobicContact CE1-CE1 4.43Å; Y291-Y335 AromaticContact CE1-CZ 4Å; Y291-Y335 VanDerWaalsContact CE1-OH 3.24Å; Y291-Y335 WeakPolarHBondContact CE1-OH 3.02Å; Y291-Y335 WeakPolarHBondContact CE2-OH 3.2Å; Y291-Y335 AromaticContact CG-CE2 3.99Å; Y291-Y335 HydrophobicContact CG-CE2 3.99Å; Y291-Y335 AromaticContact CG-CZ 3.76Å; Y333-Y335 PolarHBondContact O-N 3.02Å; Y335-V337 HydrophobicContact CD1-CG2 3.81Å; Y335-V337 HydrophobicContact CE1-CG2 3.66Å
336C36.2Very low42.8Very low39 Ų3981.4 Ų81.426%0.26446%0.458SS..  trans-100.5112.1172.6-158.70000108.2N338C336-N338 PolarHBondContact O-N 3.48Å
337V34.3Very low41.5Very low75 Ų7579.9 Ų79.946%0.45545%0.453SS..SBendtrans-65.9-27.8179.6-175.70000110.7Y291 Y335Y291-V337 HydrophobicContact CE1-CG1 4.11Å; Y335-V337 HydrophobicContact CD1-CG2 3.81Å; Y335-V337 HydrophobicContact CE1-CG2 3.66Å
338N29.5Very low40.3Very low133 Ų13383.5 Ų83.571%0.71147%0.471SS*.  trans-134.188-177.9-69.8-33.5000110.1C336 P340C336-N338 PolarHBondContact O-N 3.48Å; N338-P340 WeakPolarHBondContact O-CD 3.17Å
339C34Very low39.1Very low50 Ų5082.1 Ų82.134%0.33846%0.457SS..  trans-85.9117.2167.1-143.80000108K294 T341K294-C339 VanDerWaalsContact CE-SG 3.52Å; K294-C339 PolarHBondContact NZ-SG 2.81Å; K294-C339 VanDerWaalsContact NZ-SG 3.41Å; C339-T341 PolarHBondContact O-N 3.34Å
340P31.5Very low38.3Very low105 Ų10578.3 Ų78.368%0.68244%0.438SS*.  trans-58.7132.5170.5-17.630.3000108.8N338 E342N338-P340 WeakPolarHBondContact O-CD 3.17Å; P340-E342 PolarHBondContact O-N 3.49Å
341T31.7Very low37.6Very low123 Ų12382 Ų8276%0.75545%0.445SS*.  trans-62.1115.1169.138.10000108.7C339C339-T341 PolarHBondContact O-N 3.34Å
342E33.8Very low37Very low265 Ų26586.5 Ų86.5100%1.23847%0.466SS*.  trans-78.50153.9-77.6-175.316300110P340P340-E342 PolarHBondContact O-N 3.49Å

Retrieved 342 of 342 residues in 169.7 ms (Link to these results)

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