A0A5K4FFU6_SCHMA Loading...

ESF1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 95 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
1M61Low80.3Confident191 Ų191122.8 Ų122.894%0.94161%0.613SS**  0-38.60-93.5163.7170.700113.6K3 M4 Y5M1-K3 PolarHBondContact O-N 3.27Å; M1-M4 PolarHBondContact O-N 3.29Å; M1-Y5 HydrophobicContact CB-CE2 4.44Å; M1-Y5 VanDerWaalsContact O-CD2 3.26Å; M1-Y5 WeakPolarHBondContact O-CD2 3.26Å
2T68.3Low81Confident114 Ų114119.3 Ų119.370%0.69960%0.603SS**Hα-helixtrans-57.5-37.5-177.8-2.70000115.4M4 Y5 L6T2-M4 VanDerWaalsContact C-N 3.35Å; T2-M4 PolarHBondContact O-N 3.46Å; T2-Y5 PolarHBondContact O-N 3.43Å; T2-L6 PolarHBondContact O-N 3.4Å
3K71.5Confident81.3Confident178 Ų178115 Ų11577%0.77459%0.587SS**Hα-helixtrans-63.6-35.5179.7-72.5-172.6176.6-177.80113.6M1 L6 V7M1-K3 PolarHBondContact O-N 3.27Å; K3-L6 PolarHBondContact O-N 3.2Å; K3-V7 WeakPolarHBondContact O-CG2 3.26Å; K3-V7 PolarHBondContact O-N 3.11Å
4M76Confident81.6Confident118 Ų118114.4 Ų114.458%0.58158%0.582SS**Hα-helixtrans-69.1-38.9-177.8-164.7168.275.100111.6M1 T2 V7 Q8M1-M4 PolarHBondContact O-N 3.29Å; T2-M4 VanDerWaalsContact C-N 3.35Å; T2-M4 PolarHBondContact O-N 3.46Å; M4-V7 PolarHBondContact O-N 3.47Å; M4-Q8 WeakPolarHBondContact O-CG 3.48Å; M4-Q8 PolarHBondContact O-N 3.29Å; M4-Q8 VanDerWaalsContact O-N 3.11Å
5Y81.5Confident81.6Confident135 Ų135112.5 Ų112.553%0.52957%0.573SS.*Hα-helixtrans-65.9-41175-67-72.2000112.5M1 T2 V7 Q8 I9M1-Y5 HydrophobicContact CB-CE2 4.44Å; M1-Y5 VanDerWaalsContact O-CD2 3.26Å; M1-Y5 WeakPolarHBondContact O-CD2 3.26Å; T2-Y5 PolarHBondContact O-N 3.43Å; Y5-V7 PolarHBondContact O-N 3.46Å; Y5-Q8 PolarHBondContact O-N 3.36Å; Y5-I9 VanDerWaalsContact O-CG1 3.26Å; Y5-I9 WeakPolarHBondContact O-CG1 3.3Å; Y5-I9 PolarHBondContact O-N 3.49Å
6L84.2Confident81.4Confident102 Ų102112.1 Ų112.153%0.53457%0.572SS.*Hα-helixtrans-60.7-44.2176.8-72.9170.7000111.9T2 K3 Q8 I9 I10T2-L6 PolarHBondContact O-N 3.4Å; K3-L6 PolarHBondContact O-N 3.2Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 2.9Å; L6-I9 PolarHBondContact O-N 3.27Å; L6-I10 WeakPolarHBondContact O-CD1 3.42Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 2.96Å
7V87.5Confident81Confident100 Ų100111.2 Ų111.261%0.60657%0.568SS**Hα-helixtrans-62.7-42.4176.8174.70000111.2K3 M4 Y5 I10 L11K3-V7 WeakPolarHBondContact O-CG2 3.26Å; K3-V7 PolarHBondContact O-N 3.11Å; M4-V7 PolarHBondContact O-N 3.47Å; Y5-V7 PolarHBondContact O-N 3.46Å; V7-I10 PolarHBondContact O-N 3.4Å; V7-L11 WeakPolarHBondContact O-CB 3.44Å; V7-L11 PolarHBondContact O-N 2.96Å
8Q86.7Confident80.2Confident103 Ų103109.7 Ų109.748%0.48156%0.561SS.*Hα-helixtrans-63.4-43.5176.7-77.1178-21.900112.4M4 Y5 L6 I10 L11 V12M4-Q8 WeakPolarHBondContact O-CG 3.48Å; M4-Q8 PolarHBondContact O-N 3.29Å; M4-Q8 VanDerWaalsContact O-N 3.11Å; Y5-Q8 PolarHBondContact O-N 3.36Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 2.9Å; Q8-I10 PolarHBondContact O-N 2.95Å; Q8-L11 PolarHBondContact O-N 3.29Å; Q8-V12 VanDerWaalsContact O-CG2 3.3Å; Q8-V12 WeakPolarHBondContact O-CG2 3.26Å; Q8-V12 PolarHBondContact O-N 3.5Å
9I87.6Confident79.2Confident103 Ų103109.1 Ų109.153%0.52856%0.559SS.*Hα-helixtrans-60.7-47.5177.4-68.6163.3000110.2Y5 L6 L11 V12 T13Y5-I9 VanDerWaalsContact O-CG1 3.26Å; Y5-I9 WeakPolarHBondContact O-CG1 3.3Å; Y5-I9 PolarHBondContact O-N 3.49Å; L6-I9 PolarHBondContact O-N 3.27Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.42Å; I9-V12 PolarHBondContact O-N 2.92Å; I9-T13 HydrophobicContact CG2-CG2 4.45Å; I9-T13 WeakPolarHBondContact O-CG2 3.36Å; I9-T13 PolarHBondContact O-N 3.14Å; I9-T13 PolarHBondContact O-OG1 3.34Å
10I89.5Confident78.2Confident101 Ų101107.3 Ų107.352%0.51855%0.554SS.*Hα-helixtrans-61.1-41178.6-67.1165.1000111.2L6 V7 Q8 T13 M14L6-I10 WeakPolarHBondContact O-CD1 3.42Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.42Å; L6-I10 PolarHBondContact O-N 2.96Å; V7-I10 PolarHBondContact O-N 3.4Å; Q8-I10 PolarHBondContact O-N 2.95Å; I10-T13 WeakPolarHBondContact CA-OG1 3.47Å; I10-T13 PolarHBondContact O-OG1 3.38Å; I10-M14 HydrophobicContact CG2-CG 4.47Å; I10-M14 WeakPolarHBondContact O-CB 3.28Å; I10-M14 VanDerWaalsContact O-CG 3.28Å; I10-M14 WeakPolarHBondContact O-CG 3.45Å; I10-M14 PolarHBondContact O-N 2.91Å
11L89.5Confident77.3Confident106 Ų106108.7 Ų108.756%0.55556%0.558SS**Hα-helixtrans-65.1-45.1178.4-174.668000111.4V7 Q8 I9 M14 L15V7-L11 WeakPolarHBondContact O-CB 3.44Å; V7-L11 PolarHBondContact O-N 2.96Å; Q8-L11 PolarHBondContact O-N 3.29Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.42Å; L11-M14 PolarHBondContact O-N 3.01Å; L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 3.29Å
12V88.7Confident76.7Confident80 Ų80108.1 Ų108.149%0.48555%0.547SS..Hα-helixtrans-64.3-42.4178.8172.40000111Q8 I9 L15 L16Q8-V12 VanDerWaalsContact O-CG2 3.3Å; Q8-V12 WeakPolarHBondContact O-CG2 3.26Å; Q8-V12 PolarHBondContact O-N 3.5Å; I9-V12 PolarHBondContact O-N 2.92Å; V12-L15 PolarHBondContact O-N 2.91Å; V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 WeakPolarHBondContact O-CB 3.49Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.37Å
13T85.2Confident76.1Confident64 Ų64107.6 Ų107.639%0.39355%0.547SS..Hα-helixtrans-65.5-40.8176.854.10000111.8I9 I10 L16 L17I9-T13 HydrophobicContact CG2-CG2 4.45Å; I9-T13 WeakPolarHBondContact O-CG2 3.36Å; I9-T13 PolarHBondContact O-N 3.14Å; I9-T13 PolarHBondContact O-OG1 3.34Å; I10-T13 WeakPolarHBondContact CA-OG1 3.47Å; I10-T13 PolarHBondContact O-OG1 3.38Å; T13-L16 PolarHBondContact O-N 2.92Å; T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 VanDerWaalsContact O-CG 3.28Å; T13-L17 WeakPolarHBondContact O-CG 3.16Å; T13-L17 PolarHBondContact O-N 2.85Å
14M84.6Confident75.6Confident107 Ų107103.4 Ų103.453%0.52753%0.533SS..Hα-helixtrans-63.6-42.2174.8-75.6-65.7-174.800112.3I10 L11 L17 L18I10-M14 HydrophobicContact CG2-CG 4.47Å; I10-M14 WeakPolarHBondContact O-CB 3.28Å; I10-M14 VanDerWaalsContact O-CG 3.28Å; I10-M14 WeakPolarHBondContact O-CG 3.45Å; I10-M14 PolarHBondContact O-N 2.91Å; L11-M14 PolarHBondContact O-N 3.01Å; M14-L17 PolarHBondContact O-N 3.22Å; M14-L17 HydrophobicContact SD-CD1 4.47Å; M14-L18 WeakPolarHBondContact O-CB 3.32Å; M14-L18 VanDerWaalsContact O-CG 3.29Å; M14-L18 WeakPolarHBondContact O-CG 3.38Å; M14-L18 PolarHBondContact O-N 3.33Å
15L82.6Confident75.6Confident86 Ų8699.6 Ų99.645%0.4552%0.518SS..Hα-helixtrans-64.1-40175.6-73.6167.1000111.9L11 V12 N19L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 3.29Å; V12-L15 PolarHBondContact O-N 2.91Å; L15-N19 WeakPolarHBondContact O-CB 3.3Å; L15-N19 PolarHBondContact O-N 2.76Å; L15-N19 PolarHBondContact O-ND2 2.8Å
16L77.4Confident75.7Confident106 Ų10694.1 Ų94.156%0.55550%0.498SS*.Hα-helixtrans-63-47.1174.6-77165.4000110.9V12 T13 N19 T20V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 WeakPolarHBondContact O-CB 3.49Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.37Å; T13-L16 PolarHBondContact O-N 2.92Å; L16-N19 PolarHBondContact O-N 3.35Å; L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 2.93Å; L16-T20 PolarHBondContact O-OG1 2.98Å; L16-T20 VanDerWaalsContact O-OG1 3.05Å
17L75Confident76Confident96 Ų9691.6 Ų91.650%0.50348%0.483SS..Hα-helixtrans-59.7-49.1178.1-72.8168.7000111.7T13 M14 N19 T20 E21T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 VanDerWaalsContact O-CG 3.28Å; T13-L17 WeakPolarHBondContact O-CG 3.16Å; T13-L17 PolarHBondContact O-N 2.85Å; M14-L17 PolarHBondContact O-N 3.22Å; M14-L17 HydrophobicContact SD-CD1 4.47Å; L17-N19 PolarHBondContact O-N 2.89Å; L17-T20 WeakPolarHBondContact CA-OG1 3.29Å; L17-T20 PolarHBondContact O-N 3.47Å; L17-T20 PolarHBondContact O-OG1 3.21Å; L17-E21 PolarHBondContact O-N 2.73Å
18L66.5Low76.4Confident85 Ų8586.9 Ų86.945%0.44545%0.454SS..Hα-helixtrans-58.3-49.8176.1-73.6166.4000110.8M14 T20 E21 Y22M14-L18 WeakPolarHBondContact O-CB 3.32Å; M14-L18 VanDerWaalsContact O-CG 3.29Å; M14-L18 WeakPolarHBondContact O-CG 3.38Å; M14-L18 PolarHBondContact O-N 3.33Å; L18-T20 VanDerWaalsContact C-N 3.28Å; L18-T20 PolarHBondContact O-N 2.88Å; L18-E21 PolarHBondContact O-N 2.89Å; L18-Y22 HydrophobicContact CB-CD2 4.42Å; L18-Y22 HydrophobicContact CD2-CE2 4.27Å; L18-Y22 WeakPolarHBondContact O-CB 3.4Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.2Å
19N61.1Low76.8Confident98 Ų9883.6 Ų83.652%0.52444%0.437SS..Hα-helixtrans-64-33.2179.7-77.3-56.2000112.8L15 L16 L17 S23L15-N19 WeakPolarHBondContact O-CB 3.3Å; L15-N19 PolarHBondContact O-N 2.76Å; L15-N19 PolarHBondContact O-ND2 2.8Å; L16-N19 PolarHBondContact O-N 3.35Å; L17-N19 PolarHBondContact O-N 2.89Å; N19-S23 WeakPolarHBondContact O-CB 3.32Å; N19-S23 PolarHBondContact O-N 3.05Å; N19-S23 PolarHBondContact O-OG 3.31Å
20T60.3Low77.2Confident73 Ų7379.6 Ų79.645%0.44842%0.418SS..Hα-helixtrans-69.6-42.7173.750.50000112.1L16 L17 L18 S23 L24L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 2.93Å; L16-T20 PolarHBondContact O-OG1 2.98Å; L16-T20 VanDerWaalsContact O-OG1 3.05Å; L17-T20 WeakPolarHBondContact CA-OG1 3.29Å; L17-T20 PolarHBondContact O-N 3.47Å; L17-T20 PolarHBondContact O-OG1 3.21Å; L18-T20 VanDerWaalsContact C-N 3.28Å; L18-T20 PolarHBondContact O-N 2.88Å; T20-S23 PolarHBondContact O-N 3.33Å; T20-L24 VanDerWaalsContact O-CD1 3.3Å; T20-L24 WeakPolarHBondContact O-CD1 3.48Å; T20-L24 WeakPolarHBondContact O-CG 3.18Å; T20-L24 PolarHBondContact O-N 3.38Å; T20-L24 VanDerWaalsContact O-N 3.1Å
21E57.8Low77.6Confident137 Ų13775.1 Ų75.164%0.6440%0.395SS*.Hα-helixtrans-67.9-40.6177-72.4-169.2171.500112L17 L18 L24L17-E21 PolarHBondContact O-N 2.73Å; L18-E21 PolarHBondContact O-N 2.89Å; E21-L24 WeakPolarHBondContact O-CB 3.22Å; E21-L24 PolarHBondContact O-N 3.26Å
22Y50Low77.8Confident179 Ų17972.7 Ų72.770%0.70239%0.39SS*.Hα-helixtrans-67.3-36.4173.9-84.6-75.2000112.2L18 L24 S25L18-Y22 HydrophobicContact CB-CD2 4.42Å; L18-Y22 HydrophobicContact CD2-CE2 4.27Å; L18-Y22 WeakPolarHBondContact O-CB 3.4Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.2Å; Y22-L24 PolarHBondContact O-N 3.45Å; Y22-S25 WeakPolarHBondContact O-CB 3.48Å; Y22-S25 PolarHBondContact O-N 3.1Å
23S54.5Low78Confident102 Ų10274 Ų7471%0.71339%0.389SS*.Hα-helixtrans-71.5-14.2174.5-63.80000113.2N19 T20 S25N19-S23 WeakPolarHBondContact O-CB 3.32Å; N19-S23 PolarHBondContact O-N 3.05Å; N19-S23 PolarHBondContact O-OG 3.31Å; T20-S23 PolarHBondContact O-N 3.33Å; S23-S25 VanDerWaalsContact C-N 3.33Å
24L62.3Low78.5Confident91 Ų9171 Ų7148%0.47637%0.371SS..THydrogen-bonded Turntrans-87.40.5175-74.9161.7000113T20 E21 Y22 L26T20-L24 VanDerWaalsContact O-CD1 3.3Å; T20-L24 WeakPolarHBondContact O-CD1 3.48Å; T20-L24 WeakPolarHBondContact O-CG 3.18Å; T20-L24 PolarHBondContact O-N 3.38Å; T20-L24 VanDerWaalsContact O-N 3.1Å; E21-L24 WeakPolarHBondContact O-CB 3.22Å; E21-L24 PolarHBondContact O-N 3.26Å; Y22-L24 PolarHBondContact O-N 3.45Å; L24-L26 PolarHBondContact O-N 3.11Å; L24-L26 VanDerWaalsContact O-N 3.11Å
25S74.2Confident79Confident38 Ų3867.7 Ų67.727%0.26636%0.359SS..  trans-69.5104.1169174.30000109.7Y22 S23 D50Y22-S25 WeakPolarHBondContact O-CB 3.48Å; Y22-S25 PolarHBondContact O-N 3.1Å; S23-S25 VanDerWaalsContact C-N 3.33Å; S25-D50 WeakPolarHBondContact CB-OD1 3.38Å; S25-D50 WeakPolarHBondContact OG-CA 3.47Å; S25-D50 PolarHBondContact OG-N 2.81Å; S25-D50 PolarHBondContact OG-OD1 3.48Å
26L85Confident79.4Confident20 Ų2068.2 Ų68.211%0.10537%0.365CS..EExtended strand (participates in β ladder)trans-90.2149.1174.6-62.7160.3000109.9L24 D50 C51 R52 Q91L24-L26 PolarHBondContact O-N 3.11Å; L24-L26 VanDerWaalsContact O-N 3.11Å; L26-D50 PolarHBondContact O-N 2.85Å; L26-C51 HydrophobicContact CB-CB 4.25Å; L26-C51 VanDerWaalsContact CB-O 3.28Å; L26-C51 WeakPolarHBondContact CB-O 3.5Å; L26-C51 PolarHBondContact N-O 2.02Å; L26-C51 WeakPolarHBondContact O-CB 2.97Å; L26-C51 PolarHBondContact O-N 2.02Å; L26-R52 VanDerWaalsContact CD1-O 3.31Å; L26-R52 WeakPolarHBondContact CD1-O 3.21Å; L26-Q91 VanDerWaalsContact CD1-CA 3.45Å; L26-Q91 HydrophobicContact CD1-CB 3.76Å; L26-Q91 HydrophobicContact CD1-CG 4.06Å; L26-Q91 WeakPolarHBondContact CD2-O 3.46Å
27K90.8Very high80.2Confident49 Ų4968.7 Ų68.721%0.21338%0.375CS..EExtended strand (participates in β ladder)trans-98.5130.6163.8-165.5174.9-150.4-168.10108.3E47 Q48 D49 R93 L94K27-E47 HydrophobicContact CD-CB 4.23Å; K27-E47 WeakPolarHBondContact CE-OE2 3.03Å; K27-E47 HydrophobicContact CG-CB 4.3Å; K27-E47 IonicContact NZ-OE2 2.63Å; K27-E47 PolarHBondContact NZ-OE2 2.84Å; K27-Q48 CarbonylContact C-O 3.53Å; K27-Q48 VanDerWaalsContact CA-O 3.28Å; K27-Q48 WeakPolarHBondContact CA-O 3.46Å; K27-D49 WeakPolarHBondContact CD-OD1 3.24Å; K27-D49 WeakPolarHBondContact CE-OD1 3.31Å; K27-D49 WeakPolarHBondContact CE-OD2 2.96Å; K27-D49 WeakPolarHBondContact CG-OD1 3.49Å; K27-R93 HydrophobicContact CB-CG 4.25Å; K27-R93 CarbonylContact O-C 3.55Å; K27-R93 WeakPolarHBondContact O-CA 3.06Å; K27-L94 HydrophobicContact CB-CD2 4.32Å; K27-L94 HydrophobicContact CD-CD2 3.98Å; K27-L94 HydrophobicContact CG-CD2 3.87Å; K27-L94 PolarHBondContact O-N 2.8Å
28C94.3Very high81.1Confident0 Ų066.8 Ų66.80%036%0.363CS..EExtended strand (participates in β ladder)trans-121.5150.3179.7-57.40000110.9E47 Q48 C51 C54C28-E47 WeakPolarHBondContact O-CA 3.4Å; C28-Q48 PolarHBondContact N-O 3.42Å; C28-Q48 PolarHBondContact O-N 2.56Å; C28-C51 HydrophobicContact CB-CB 4.43Å; C28-C51 WeakPolarHBondContact SG-CB 3.31Å; C28-C54 WeakPolarHBondContact CA-SG 3.31Å; C28-C54 HydrophobicContact CB-CB 3.68Å; C28-C54 WeakPolarHBondContact CB-SG 3.49Å; C28-C54 WeakPolarHBondContact SG-CA 3.29Å; C28-C54 WeakPolarHBondContact SG-CB 3.22Å; C28-C54 PolarHBondContact SG-N 2.98Å; C28-C54 CovalentContact SG-SG 2.02Å; C28-C54 PolarHBondContact SG-SG 2.78Å
29Y95.9Very high82.5Confident35 Ų3566.1 Ų66.114%0.13736%0.359CS..EExtended strand (participates in β ladder)trans-77.1133.4162.7-74.2-58000109.4F38 P40 V45 N46 E47 R67 L94 M95Y29-F38 HydrophobicContact CD1-CZ 4.48Å; Y29-F38 AromaticContact CD2-CE1 3.8Å; Y29-F38 HydrophobicContact CD2-CE1 3.8Å; Y29-F38 AromaticContact CD2-CZ 3.63Å; Y29-F38 HydrophobicContact CD2-CZ 3.63Å; Y29-F38 HydrophobicContact CE2-CE1 4.25Å; Y29-F38 HydrophobicContact CE2-CZ 4.37Å; Y29-F38 HydrophobicContact CG-CE1 4.35Å; Y29-F38 AromaticContact CG-CZ 3.71Å; Y29-F38 HydrophobicContact CG-CZ 3.71Å; Y29-P40 HydrophobicContact CD2-CB 4.37Å; Y29-P40 HydrophobicContact CE1-CB 3.93Å; Y29-P40 HydrophobicContact CE2-CB 3.73Å; Y29-V45 HydrophobicContact CD1-CG1 3.32Å; Y29-V45 HydrophobicContact CE1-CG1 4.1Å; Y29-V45 HydrophobicContact CG-CG1 3.88Å; Y29-N46 CarbonylContact C-O 3.5Å; Y29-N46 WeakPolarHBondContact CA-O 3.28Å; Y29-E47 HydrophobicContact CD1-CG 3.8Å; Y29-E47 HydrophobicContact CE1-CG 3.54Å; Y29-E47 WeakPolarHBondContact CE1-OE1 3.01Å; Y29-E47 PolarHBondContact OH-OE1 3.34Å; Y29-R67 VanDerWaalsContact O-CB 3.24Å; Y29-R67 WeakPolarHBondContact O-CB 3.45Å; Y29-L94 HydrophobicContact CD1-CD2 4.3Å; Y29-L94 HydrophobicContact CD2-CB 4.07Å; Y29-L94 HydrophobicContact CD2-CD2 4.38Å; Y29-L94 WeakPolarHBondContact CD2-O 3.23Å; Y29-L94 HydrophobicContact CE1-CD2 3.96Å; Y29-L94 HydrophobicContact CE2-CB 3.61Å; Y29-L94 HydrophobicContact CE2-CD2 4.05Å; Y29-L94 HydrophobicContact CE2-CG 4.32Å; Y29-L94 VanDerWaalsContact CE2-O 3.29Å; Y29-L94 WeakPolarHBondContact CE2-O 3.11Å; Y29-L94 HydrophobicContact CG-CD2 4.49Å; Y29-M95 PolarHBondContact N-O 3.48Å
30T96.3Very high84Confident19 Ų1963.5 Ų63.512%0.11735%0.348CS..EExtended strand (participates in β ladder)trans-122.5136.9176.265.20000110.7V45 N46 Q48 R67 C69T30-V45 WeakPolarHBondContact O-CA 3.18Å; T30-N46 PolarHBondContact N-O 2.75Å; T30-N46 PolarHBondContact O-N 2.66Å; T30-Q48 HydrophobicContact CG2-CB 3.79Å; T30-R67 VanDerWaalsContact CA-O 3.26Å; T30-R67 WeakPolarHBondContact CA-O 3.28Å; T30-C69 HydrophobicContact CG2-CB 4.07Å
31C96.8Very high85.7Confident7 Ų767.9 Ų67.95%0.04736%0.363CS..BIsolated β-bridgetrans-161.2140.8176.737.40000110.6C34 L44 V45 F66 R67C31-C34 HydrophobicContact CB-CB 4.12Å; C31-C34 WeakPolarHBondContact CB-SG 3.01Å; C31-C34 PolarHBondContact O-SG 3.18Å; C31-C34 WeakPolarHBondContact SG-CB 2.83Å; C31-C34 CovalentContact SG-SG 2.02Å; C31-C34 PolarHBondContact SG-SG 3.42Å; C31-L44 VanDerWaalsContact CB-O 3.23Å; C31-L44 WeakPolarHBondContact CB-O 3.14Å; C31-V45 HydrophobicContact CB-CG2 4.03Å; C31-F66 WeakPolarHBondContact O-CA 3.24Å; C31-R67 PolarHBondContact N-O 2.61Å; C31-R67 PolarHBondContact O-N 3.44Å
32A94.5Very high87.4Confident54 Ų5462.7 Ų62.745%0.44634%0.342SS..SBendtrans-84.9133159.900000108.2C34 F66A32-C34 PolarHBondContact O-N 3.24Å; A32-F66 HydrophobicContact CB-CD1 4.09Å; A32-F66 HydrophobicContact CB-CE1 3.75Å; A32-F66 HydrophobicContact CB-CZ 4.49Å
33F93.8Very high89.5Confident107 Ų10762.6 Ų62.647%0.46935%0.352SS..SBendtrans51.656.3-179.6-49.2-76000113.5V62 Y64 P65 F66F33-V62 HydrophobicContact CD1-CG1 3.89Å; F33-V62 HydrophobicContact CE1-CG1 3.8Å; F33-Y64 HydrophobicContact CB-CG 4.48Å; F33-P65 CarbonylContact C-O 3.51Å; F33-F66 AromaticContact CD1-CE2 3.73Å; F33-F66 HydrophobicContact CD1-CE2 3.73Å; F33-F66 AromaticContact CD1-CZ 3.88Å; F33-F66 HydrophobicContact CD1-CZ 3.88Å; F33-F66 HydrophobicContact CD2-CZ 4.15Å; F33-F66 AromaticContact CE1-CE2 3.64Å; F33-F66 HydrophobicContact CE1-CE2 3.64Å; F33-F66 AromaticContact CE1-CZ 3.57Å; F33-F66 HydrophobicContact CE1-CZ 3.57Å; F33-F66 AromaticContact CE2-CZ 3.86Å; F33-F66 HydrophobicContact CE2-CZ 3.86Å; F33-F66 HydrophobicContact CG-CE2 4.3Å; F33-F66 HydrophobicContact CG-CZ 4.18Å; F33-F66 HydrophobicContact CZ-CE2 4.14Å; F33-F66 AromaticContact CZ-CZ 3.57Å; F33-F66 HydrophobicContact CZ-CZ 3.57Å
34C95.3Very high91.4Very high1 Ų162.6 Ų62.61%0.00734%0.344CS..  trans-58.4143.4178.3-47.40000111.2C31 A32 F38 P65 R67C31-C34 HydrophobicContact CB-CB 4.12Å; C31-C34 WeakPolarHBondContact CB-SG 3.01Å; C31-C34 PolarHBondContact O-SG 3.18Å; C31-C34 WeakPolarHBondContact SG-CB 2.83Å; C31-C34 CovalentContact SG-SG 2.02Å; C31-C34 PolarHBondContact SG-SG 3.42Å; A32-C34 PolarHBondContact O-N 3.24Å; C34-F38 HydrophobicContact CB-CD2 4.36Å; C34-P65 HydrophobicContact CB-CG 4.35Å; C34-P65 WeakPolarHBondContact CB-O 3.22Å; C34-P65 PolarHBondContact N-O 3Å; C34-P65 PolarHBondContact SG-O 3Å; C34-P65 VanDerWaalsContact SG-O 3.32Å; C34-R67 PolarHBondContact SG-N 3.48Å; C34-R67 VanDerWaalsContact SG-N 3.36Å
35S94.3Very high93Very high38 Ų3859 Ų5927%0.26633%0.326SS..  trans-59.7151.6176.463.40000111.7P37 F38 N39S35-P37 CarbonylContact C-O 3.51Å; S35-P37 WeakPolarHBondContact CB-O 3.33Å; S35-P37 CarbonylContact O-C 3.6Å; S35-P37 VanDerWaalsContact O-C 3.22Å; S35-P37 VanDerWaalsContact O-O 3.13Å; S35-P37 PolarHBondContact OG-O 2.88Å; S35-F38 VanDerWaalsContact O-CA 3.24Å; S35-F38 WeakPolarHBondContact O-CA 3.17Å; S35-F38 PolarHBondContact O-N 3.03Å; S35-N39 PolarHBondContact OG-N 3.34Å
36V91.4Very high94.1Very high97 Ų9762.2 Ų62.259%0.58834%0.34SS*.SBendtrans-125.5111.5172.3-1750000107.1Y64 P65V36-Y64 HydrophobicContact CG2-CD1 4.43Å; V36-P65 HydrophobicContact CG2-CG 4.12Å
37P93.4Very high94.5Very high117 Ų11765.8 Ų65.876%0.7636%0.356SS*.SBendcis-66.5155.31.930.5-35.8000112.9S35 N39S35-P37 CarbonylContact C-O 3.51Å; S35-P37 WeakPolarHBondContact CB-O 3.33Å; S35-P37 CarbonylContact O-C 3.6Å; S35-P37 VanDerWaalsContact O-C 3.22Å; S35-P37 VanDerWaalsContact O-O 3.13Å; S35-P37 PolarHBondContact OG-O 2.88Å; P37-N39 PolarHBondContact O-N 2.92Å
38F94.6Very high94.6Very high56 Ų5667.8 Ų67.825%0.24637%0.366CS..  trans-63.4132.2179.5174.4-107.2000110.8Y29 C34 S35 P40 V45 R67Y29-F38 HydrophobicContact CD1-CZ 4.48Å; Y29-F38 AromaticContact CD2-CE1 3.8Å; Y29-F38 HydrophobicContact CD2-CE1 3.8Å; Y29-F38 AromaticContact CD2-CZ 3.63Å; Y29-F38 HydrophobicContact CD2-CZ 3.63Å; Y29-F38 HydrophobicContact CE2-CE1 4.25Å; Y29-F38 HydrophobicContact CE2-CZ 4.37Å; Y29-F38 HydrophobicContact CG-CE1 4.35Å; Y29-F38 AromaticContact CG-CZ 3.71Å; Y29-F38 HydrophobicContact CG-CZ 3.71Å; C34-F38 HydrophobicContact CB-CD2 4.36Å; S35-F38 VanDerWaalsContact O-CA 3.24Å; S35-F38 WeakPolarHBondContact O-CA 3.17Å; S35-F38 PolarHBondContact O-N 3.03Å; F38-P40 HydrophobicContact CE1-CB 3.85Å; F38-P40 HydrophobicContact CE1-CG 4.32Å; F38-P40 HydrophobicContact CZ-CB 4.09Å; F38-V45 HydrophobicContact CE2-CG1 4.44Å; F38-V45 HydrophobicContact CE2-CG2 3.82Å; F38-V45 HydrophobicContact CZ-CG1 4.26Å; F38-V45 HydrophobicContact CZ-CG2 4.33Å; F38-R67 VanDerWaalsContact CG-NH2 3.27Å
39N95Very high94.4Very high71 Ų7172 Ų7238%0.3839%0.388SS..  trans-123.6109.1175.3-179.64.4000109.5S35 P37 H41 S42 V45S35-N39 PolarHBondContact OG-N 3.34Å; P37-N39 PolarHBondContact O-N 2.92Å; N39-H41 PolarHBondContact O-N 3.34Å; N39-H41 WeakPolarHBondContact OD1-CB 3.17Å; N39-H41 PolarHBondContact OD1-N 3.05Å; N39-S42 VanDerWaalsContact O-CB 3.24Å; N39-S42 WeakPolarHBondContact O-CB 3.45Å; N39-S42 PolarHBondContact O-N 2.01Å; N39-S42 VanDerWaalsContact O-N 3.12Å; N39-V45 WeakPolarHBondContact O-CG2 3.29Å
40P94.4Very high94Very high43 Ų4376.7 Ų76.728%0.27942%0.416SS..THydrogen-bonded Turntrans-66.8-18.6179.727.7-34.3000113.3Y29 F38 S42Y29-P40 HydrophobicContact CD2-CB 4.37Å; Y29-P40 HydrophobicContact CE1-CB 3.93Å; Y29-P40 HydrophobicContact CE2-CB 3.73Å; F38-P40 HydrophobicContact CE1-CB 3.85Å; F38-P40 HydrophobicContact CE1-CG 4.32Å; F38-P40 HydrophobicContact CZ-CB 4.09Å; P40-S42 VanDerWaalsContact C-N 3.31Å
41H95Very high93.6Very high164 Ų16475.9 Ų75.976%0.75941%0.411SS*.THydrogen-bonded Turntrans-89.53.8176.9-56.3-68.8000113.2N39N39-H41 PolarHBondContact O-N 3.34Å; N39-H41 WeakPolarHBondContact OD1-CB 3.17Å; N39-H41 PolarHBondContact OD1-N 3.05Å
42S94.1Very high93.3Very high29 Ų2982.9 Ų82.920%0.20344%0.437CS..SBendtrans-64.6140.5174177.70000110.4N39 P40 L44 V45N39-S42 VanDerWaalsContact O-CB 3.24Å; N39-S42 WeakPolarHBondContact O-CB 3.45Å; N39-S42 PolarHBondContact O-N 2.01Å; N39-S42 VanDerWaalsContact O-N 3.12Å; P40-S42 VanDerWaalsContact C-N 3.31Å; S42-L44 PolarHBondContact O-N 3.07Å; S42-L44 VanDerWaalsContact O-N 3.08Å; S42-L44 PolarHBondContact OG-N 3.27Å; S42-V45 WeakPolarHBondContact O-CB 3.07Å; S42-V45 PolarHBondContact O-N 3.31Å
43L94.6Very high93.2Very high176 Ų17683.4 Ų83.492%0.92143%0.427SS*.THydrogen-bonded Turntrans-63-14.9175.4-63.6174.6000113.4V45L43-V45 VanDerWaalsContact C-N 3.32Å
44L93.8Very high93.2Very high103 Ų10378.3 Ų78.354%0.53941%0.405SS..THydrogen-bonded Turntrans-82.9-11.3175.6-59.4178.2000112.9C31 S42C31-L44 VanDerWaalsContact CB-O 3.23Å; C31-L44 WeakPolarHBondContact CB-O 3.14Å; S42-L44 PolarHBondContact O-N 3.07Å; S42-L44 VanDerWaalsContact O-N 3.08Å; S42-L44 PolarHBondContact OG-N 3.27Å
45V96.5Very high93.2Very high16 Ų1678.4 Ų78.410%0.09741%0.405CS..  trans-97.6126.3-175.9176.90000109.6Y29 T30 C31 F38 N39 S42 L43Y29-V45 HydrophobicContact CD1-CG1 3.32Å; Y29-V45 HydrophobicContact CE1-CG1 4.1Å; Y29-V45 HydrophobicContact CG-CG1 3.88Å; T30-V45 WeakPolarHBondContact O-CA 3.18Å; C31-V45 HydrophobicContact CB-CG2 4.03Å; F38-V45 HydrophobicContact CE2-CG1 4.44Å; F38-V45 HydrophobicContact CE2-CG2 3.82Å; F38-V45 HydrophobicContact CZ-CG1 4.26Å; F38-V45 HydrophobicContact CZ-CG2 4.33Å; N39-V45 WeakPolarHBondContact O-CG2 3.29Å; S42-V45 WeakPolarHBondContact O-CB 3.07Å; S42-V45 PolarHBondContact O-N 3.31Å; L43-V45 VanDerWaalsContact C-N 3.32Å
46N95.9Very high93.3Very high105 Ų10579.3 Ų79.356%0.56141%0.405SS*.EExtended strand (participates in β ladder)trans-110.9161.3168.8-63.9-65.1000109.7Y29 T30Y29-N46 CarbonylContact C-O 3.5Å; Y29-N46 WeakPolarHBondContact CA-O 3.28Å; T30-N46 PolarHBondContact N-O 2.75Å; T30-N46 PolarHBondContact O-N 2.66Å
47E94.5Very high93.6Very high94 Ų9474.7 Ų74.744%0.43938%0.377SS..EExtended strand (participates in β ladder)trans-105131167.7-55.2-175.4170.400108.5K27 C28 Y29 L94K27-E47 HydrophobicContact CD-CB 4.23Å; K27-E47 WeakPolarHBondContact CE-OE2 3.03Å; K27-E47 HydrophobicContact CG-CB 4.3Å; K27-E47 IonicContact NZ-OE2 2.63Å; K27-E47 PolarHBondContact NZ-OE2 2.84Å; C28-E47 WeakPolarHBondContact O-CA 3.4Å; Y29-E47 HydrophobicContact CD1-CG 3.8Å; Y29-E47 HydrophobicContact CE1-CG 3.54Å; Y29-E47 WeakPolarHBondContact CE1-OE1 3.01Å; Y29-E47 PolarHBondContact OH-OE1 3.34Å; E47-L94 HydrophobicContact CG-CD2 4.17Å
48Q93Very high93.7Very high92 Ų9271.9 Ų71.943%0.4336%0.355SS..EExtended strand (participates in β ladder)trans-120.9123.7178.2-172.1169.1-1.200109.5K27 C28 T30 C51 C69K27-Q48 CarbonylContact C-O 3.53Å; K27-Q48 VanDerWaalsContact CA-O 3.28Å; K27-Q48 WeakPolarHBondContact CA-O 3.46Å; C28-Q48 PolarHBondContact N-O 3.42Å; C28-Q48 PolarHBondContact O-N 2.56Å; T30-Q48 HydrophobicContact CG2-CB 3.79Å; Q48-C51 PolarHBondContact O-SG 3.32Å; Q48-C69 HydrophobicContact CB-CB 4.22Å; Q48-C69 VanDerWaalsContact CD-CB 3.43Å; Q48-C69 HydrophobicContact CG-CB 3.97Å; Q48-C69 VanDerWaalsContact OE1-CB 3.25Å
49D89.6Confident93.8Very high87 Ų8771 Ų7147%0.46535%0.353SS..EExtended strand (participates in β ladder)trans-85173.3174.4-63.3-68.3000111.3K27 C51K27-D49 WeakPolarHBondContact CD-OD1 3.24Å; K27-D49 WeakPolarHBondContact CE-OD1 3.31Å; K27-D49 WeakPolarHBondContact CE-OD2 2.96Å; K27-D49 WeakPolarHBondContact CG-OD1 3.49Å; D49-C51 VanDerWaalsContact C-N 3.28Å; D49-C51 PolarHBondContact O-N 3.27Å
50D86.5Confident93.8Very high134 Ų13475.8 Ų75.872%0.71737%0.37SS*.EExtended strand (participates in β ladder)trans60.832.2177-60-35.7000115S25 L26S25-D50 WeakPolarHBondContact CB-OD1 3.38Å; S25-D50 WeakPolarHBondContact OG-CA 3.47Å; S25-D50 PolarHBondContact OG-N 2.81Å; S25-D50 PolarHBondContact OG-OD1 3.48Å; L26-D50 PolarHBondContact O-N 2.85Å
51C88.6Confident93.8Very high2 Ų277.6 Ų77.61%0.01440%0.397CS..EExtended strand (participates in β ladder)trans-86.8139.8174.7-55.20000111.5L26 C28 Q48 D49 C69L26-C51 HydrophobicContact CB-CB 4.25Å; L26-C51 VanDerWaalsContact CB-O 3.28Å; L26-C51 WeakPolarHBondContact CB-O 3.5Å; L26-C51 PolarHBondContact N-O 2.02Å; L26-C51 WeakPolarHBondContact O-CB 2.97Å; L26-C51 PolarHBondContact O-N 2.02Å; C28-C51 HydrophobicContact CB-CB 4.43Å; C28-C51 WeakPolarHBondContact SG-CB 3.31Å; Q48-C51 PolarHBondContact O-SG 3.32Å; D49-C51 VanDerWaalsContact C-N 3.28Å; D49-C51 PolarHBondContact O-N 3.27Å; C51-C69 WeakPolarHBondContact CA-SG 3.33Å; C51-C69 HydrophobicContact CB-CB 4.1Å; C51-C69 WeakPolarHBondContact CB-SG 3.36Å; C51-C69 WeakPolarHBondContact SG-CB 3.35Å; C51-C69 CovalentContact SG-SG 2.02Å; C51-C69 PolarHBondContact SG-SG 2.91Å
52R89.8Confident93.7Very high155 Ų15572.1 Ų72.159%0.58537%0.374SS*.SBendtrans-85.3-31.4167.6-169.4178.6-69.4174.7-11112L26 A70 A71 Q91L26-R52 VanDerWaalsContact CD1-O 3.31Å; L26-R52 WeakPolarHBondContact CD1-O 3.21Å; R52-A70 PolarHBondContact N-O 2.81Å; R52-A71 WeakPolarHBondContact CD-O 3.3Å; R52-A71 PolarHBondContact NH1-O 3.28Å; R52-Q91 PolarHBondContact O-NE2 3.36Å
53W92.2Very high93.7Very high64 Ų6475.4 Ų75.424%0.24240%0.395CS..EExtended strand (participates in β ladder)trans-140.9139.5178.2-63.793.9000110.8A70 C73 C89 Q91W53-A70 HydrophobicContact CB-CB 4.22Å; W53-A70 PolarHBondContact N-O 2.81Å; W53-A70 PolarHBondContact O-N 3.23Å; W53-C73 HydrophobicContact CB-CB 4.43Å; W53-C73 HydrophobicContact CD2-CB 3.63Å; W53-C73 HydrophobicContact CE3-CB 3.93Å; W53-C73 HydrophobicContact CG-CB 3.84Å; W53-C73 HydrophobicContact CZ2-CB 4.47Å; W53-C73 HydrophobicContact CZ3-CB 4.45Å; W53-C89 HydrophobicContact CB-CB 4.25Å; W53-C89 HydrophobicContact CD2-CB 4.36Å; W53-C89 HydrophobicContact CE3-CB 3.73Å; W53-C89 HydrophobicContact CZ3-CB 4.49Å; W53-Q91 HydrophobicContact CD2-CG 3.95Å; W53-Q91 HydrophobicContact CE3-CG 3.5Å; W53-Q91 HydrophobicContact CH2-CG 3.86Å; W53-Q91 HydrophobicContact CZ2-CG 4.28Å; W53-Q91 HydrophobicContact CZ3-CG 3.47Å; W53-Q91 VanDerWaalsContact CZ3-CG 3.47Å
54C93.8Very high93.7Very high1 Ų172.7 Ų72.71%0.00737%0.374CS..EExtended strand (participates in β ladder)trans-94.9122.4162.8-500000107.7C28 C89 C90 K92 M95C28-C54 WeakPolarHBondContact CA-SG 3.31Å; C28-C54 HydrophobicContact CB-CB 3.68Å; C28-C54 WeakPolarHBondContact CB-SG 3.49Å; C28-C54 WeakPolarHBondContact SG-CA 3.29Å; C28-C54 WeakPolarHBondContact SG-CB 3.22Å; C28-C54 PolarHBondContact SG-N 2.98Å; C28-C54 CovalentContact SG-SG 2.02Å; C28-C54 PolarHBondContact SG-SG 2.78Å; C54-C89 CarbonylContact O-C 3.56Å; C54-C89 VanDerWaalsContact O-CA 3.22Å; C54-C89 WeakPolarHBondContact O-CA 3.24Å; C54-C90 PolarHBondContact N-O 3.3Å; C54-C90 PolarHBondContact O-N 2.02Å; C54-K92 PolarHBondContact SG-O 2.97Å; C54-K92 VanDerWaalsContact SG-O 3.34Å; C54-M95 HydrophobicContact CB-CB 4.24Å
55A95.5Very high93.8Very high2 Ų268.1 Ų68.12%0.01735%0.35CS..EExtended strand (participates in β ladder)trans-119.1138.9-174.600000111.6I57 R67 L68 W78 E88 C89A55-I57 HydrophobicContact CB-CD1 4.25Å; A55-R67 CarbonylContact O-C 3.56Å; A55-R67 WeakPolarHBondContact O-CA 3.48Å; A55-L68 PolarHBondContact N-O 2.85Å; A55-L68 PolarHBondContact O-N 2.86Å; A55-W78 HydrophobicContact CB-CH2 3.48Å; A55-W78 VanDerWaalsContact CB-CH2 3.48Å; A55-W78 HydrophobicContact CB-CZ2 3.28Å; A55-E88 CarbonylContact C-O 3.58Å; A55-E88 VanDerWaalsContact CA-O 3.3Å; A55-E88 WeakPolarHBondContact CA-O 3.48Å; A55-C89 HydrophobicContact CB-CB 4.33Å
56K96.6Very high93.8Very high57 Ų5768.8 Ų68.825%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-108.4117.9168.2-177.7-173.5173.8-170.80108.6N58 P65 F66 Y87 E88K56-N58 WeakPolarHBondContact CE-OD1 3.47Å; K56-P65 HydrophobicContact CD-CB 4.46Å; K56-P65 HydrophobicContact CG-CB 3.95Å; K56-F66 CarbonylContact C-O 3.17Å; K56-F66 VanDerWaalsContact CA-O 3.29Å; K56-F66 WeakPolarHBondContact CA-O 3.16Å; K56-Y87 WeakPolarHBondContact O-CA 3.08Å; K56-E88 PolarHBondContact N-O 3.08Å; K56-E88 PolarHBondContact O-N 2.92Å
57I97.1Very high93.8Very high0 Ų065.4 Ų65.40%033%0.331CS..EExtended strand (participates in β ladder)trans-106.6123.5179.3-46.6-58.5000109A55 I59 P65 F66 L68 W78 F82 F85 S86 Y87A55-I57 HydrophobicContact CB-CD1 4.25Å; I57-I59 HydrophobicContact CG2-CG1 4.4Å; I57-P65 CarbonylContact O-C 3.22Å; I57-P65 VanDerWaalsContact O-CA 3.3Å; I57-P65 WeakPolarHBondContact O-CA 3.33Å; I57-F66 HydrophobicContact CB-CB 4.23Å; I57-F66 PolarHBondContact N-O 3.34Å; I57-F66 PolarHBondContact O-N 3.22Å; I57-L68 HydrophobicContact CG1-CD1 3.89Å; I57-W78 HydrophobicContact CD1-CD2 3.6Å; I57-W78 HydrophobicContact CD1-CE3 3.71Å; I57-W78 HydrophobicContact CD1-CG 4.16Å; I57-W78 HydrophobicContact CD1-CH2 4.08Å; I57-W78 HydrophobicContact CD1-CZ2 4.02Å; I57-W78 HydrophobicContact CD1-CZ3 3.95Å; I57-W78 HydrophobicContact CG1-CE3 4.22Å; I57-W78 HydrophobicContact CG1-CZ3 4.25Å; I57-F82 HydrophobicContact CB-CE2 4.42Å; I57-F82 HydrophobicContact CG1-CE2 4.07Å; I57-F82 HydrophobicContact CG2-CD1 4.41Å; I57-F82 HydrophobicContact CG2-CD2 3.88Å; I57-F82 HydrophobicContact CG2-CE1 4.46Å; I57-F82 HydrophobicContact CG2-CE2 3.93Å; I57-F82 HydrophobicContact CG2-CG 4.12Å; I57-F82 HydrophobicContact CG2-CZ 4.23Å; I57-F85 HydrophobicContact CG2-CB 4.03Å; I57-F85 HydrophobicContact CG2-CD2 4.36Å; I57-S86 WeakPolarHBondContact CA-O 3.47Å; I57-Y87 VanDerWaalsContact CD1-CB 3.45Å
58N97Very high93.9Very high58 Ų5863.3 Ų63.331%0.3132%0.323SS..EExtended strand (participates in β ladder)trans-105.7114.3170.8-44.8-83.6000108.4K56 F85 S86K56-N58 WeakPolarHBondContact CE-OD1 3.47Å; N58-F85 CarbonylContact O-C 3.51Å; N58-F85 VanDerWaalsContact O-CA 3.23Å; N58-F85 WeakPolarHBondContact O-CA 3.4Å; N58-S86 WeakPolarHBondContact CB-OG 3.46Å; N58-S86 PolarHBondContact N-O 3.12Å; N58-S86 PolarHBondContact ND2-OG 3.18Å; N58-S86 PolarHBondContact O-N 2.88Å
59I96Very high93.9Very high37 Ų3760.3 Ų60.319%0.1931%0.312CS..EExtended strand (participates in β ladder)trans-85.8133.1177.4-55.7173.2000108.4I57 G61 V62 F66 F82I57-I59 HydrophobicContact CG2-CG1 4.4Å; I59-G61 PolarHBondContact O-N 3.44Å; I59-V62 HydrophobicContact CB-CB 4.07Å; I59-V62 HydrophobicContact CB-CG2 3.93Å; I59-V62 HydrophobicContact CG2-CG2 3.88Å; I59-V62 PolarHBondContact O-N 2.9Å; I59-F66 HydrophobicContact CD1-CD2 3.89Å; I59-F66 HydrophobicContact CD1-CE2 3.54Å; I59-F66 HydrophobicContact CD1-CZ 4.14Å; I59-F66 HydrophobicContact CG1-CD2 4.44Å; I59-F66 HydrophobicContact CG1-CE2 4.46Å; I59-F82 HydrophobicContact CD1-CD1 3.59Å; I59-F82 HydrophobicContact CD1-CE1 3.65Å; I59-F82 HydrophobicContact CG1-CD1 3.84Å; I59-F82 HydrophobicContact CG1-CE1 4.18Å
60K95.1Very high94Very high173 Ų17356.3 Ų56.375%0.75229%0.291SS*.THydrogen-bonded Turntrans-60.3124.8-179.9-172.4177.9-179.8-179.60110.2V62 S84K60-V62 VanDerWaalsContact C-N 3.33Å; K60-S84 PolarHBondContact N-O 3.06Å
61G94.1Very high94.2Very high81 Ų8152.7 Ų52.784%0.83528%0.279SS*.THydrogen-bonded Turntrans86.8-5.2-178.900000115I59I59-G61 PolarHBondContact O-N 3.44Å
62V93.6Very high94.3Very high48 Ų4856.7 Ų56.729%0.29130%0.301SS..  trans-103.8120.3175-176.70000108.7F33 I59 K60 Y64F33-V62 HydrophobicContact CD1-CG1 3.89Å; F33-V62 HydrophobicContact CE1-CG1 3.8Å; I59-V62 HydrophobicContact CB-CB 4.07Å; I59-V62 HydrophobicContact CB-CG2 3.93Å; I59-V62 HydrophobicContact CG2-CG2 3.88Å; I59-V62 PolarHBondContact O-N 2.9Å; K60-V62 VanDerWaalsContact C-N 3.33Å; V62-Y64 VanDerWaalsContact C-N 3.25Å; V62-Y64 WeakPolarHBondContact CG1-O 3.18Å; V62-Y64 PolarHBondContact O-N 2.99Å
63P92.9Very high94.4Very high99 Ų9951 Ų5164%0.64328%0.284SS*.SBendtrans-72.5-18.9-175.427.4-33.5000113.5
64Y95.6Very high94.5Very high118 Ų11848.9 Ų48.946%0.46328%0.282SS..SBendtrans-104.7123.5-176.5-53.6-66.7000110.9F33 V36 V62F33-Y64 HydrophobicContact CB-CG 4.48Å; V36-Y64 HydrophobicContact CG2-CD1 4.43Å; V62-Y64 VanDerWaalsContact C-N 3.25Å; V62-Y64 WeakPolarHBondContact CG1-O 3.18Å; V62-Y64 PolarHBondContact O-N 2.99Å
65P95.9Very high94.6Very high8 Ų855 Ų555%0.05231%0.306CS..  trans-72.7162.3176.931-34.6000111.4F33 C34 V36 K56 I57F33-P65 CarbonylContact C-O 3.51Å; C34-P65 HydrophobicContact CB-CG 4.35Å; C34-P65 WeakPolarHBondContact CB-O 3.22Å; C34-P65 PolarHBondContact N-O 3Å; C34-P65 PolarHBondContact SG-O 3Å; C34-P65 VanDerWaalsContact SG-O 3.32Å; V36-P65 HydrophobicContact CG2-CG 4.12Å; K56-P65 HydrophobicContact CD-CB 4.46Å; K56-P65 HydrophobicContact CG-CB 3.95Å; I57-P65 CarbonylContact O-C 3.22Å; I57-P65 VanDerWaalsContact O-CA 3.3Å; I57-P65 WeakPolarHBondContact O-CA 3.33Å
66F96.4Very high94.6Very high30 Ų3059.6 Ų59.613%0.13233%0.33CS..EExtended strand (participates in β ladder)trans-100.3144.9166.6-71.2-118.4000108.2C31 A32 F33 K56 I57 I59 L68C31-F66 WeakPolarHBondContact O-CA 3.24Å; A32-F66 HydrophobicContact CB-CD1 4.09Å; A32-F66 HydrophobicContact CB-CE1 3.75Å; A32-F66 HydrophobicContact CB-CZ 4.49Å; F33-F66 AromaticContact CD1-CE2 3.73Å; F33-F66 HydrophobicContact CD1-CE2 3.73Å; F33-F66 AromaticContact CD1-CZ 3.88Å; F33-F66 HydrophobicContact CD1-CZ 3.88Å; F33-F66 HydrophobicContact CD2-CZ 4.15Å; F33-F66 AromaticContact CE1-CE2 3.64Å; F33-F66 HydrophobicContact CE1-CE2 3.64Å; F33-F66 AromaticContact CE1-CZ 3.57Å; F33-F66 HydrophobicContact CE1-CZ 3.57Å; F33-F66 AromaticContact CE2-CZ 3.86Å; F33-F66 HydrophobicContact CE2-CZ 3.86Å; F33-F66 HydrophobicContact CG-CE2 4.3Å; F33-F66 HydrophobicContact CG-CZ 4.18Å; F33-F66 HydrophobicContact CZ-CE2 4.14Å; F33-F66 AromaticContact CZ-CZ 3.57Å; F33-F66 HydrophobicContact CZ-CZ 3.57Å; K56-F66 CarbonylContact C-O 3.17Å; K56-F66 VanDerWaalsContact CA-O 3.29Å; K56-F66 WeakPolarHBondContact CA-O 3.16Å; I57-F66 HydrophobicContact CB-CB 4.23Å; I57-F66 PolarHBondContact N-O 3.34Å; I57-F66 PolarHBondContact O-N 3.22Å; I59-F66 HydrophobicContact CD1-CD2 3.89Å; I59-F66 HydrophobicContact CD1-CE2 3.54Å; I59-F66 HydrophobicContact CD1-CZ 4.14Å; I59-F66 HydrophobicContact CG1-CD2 4.44Å; I59-F66 HydrophobicContact CG1-CE2 4.46Å; F66-L68 HydrophobicContact CB-CG 4.46Å
67R96.4Very high94.5Very high33 Ų3360.4 Ų60.413%0.12533%0.332CS..EExtended strand (participates in β ladder)trans-116.3131.1165.2-66.7-176.6-179.1-147.11.3109.2Y29 T30 C31 C34 F38 A55 M95Y29-R67 VanDerWaalsContact O-CB 3.24Å; Y29-R67 WeakPolarHBondContact O-CB 3.45Å; T30-R67 VanDerWaalsContact CA-O 3.26Å; T30-R67 WeakPolarHBondContact CA-O 3.28Å; C31-R67 PolarHBondContact N-O 2.61Å; C31-R67 PolarHBondContact O-N 3.44Å; C34-R67 PolarHBondContact SG-N 3.48Å; C34-R67 VanDerWaalsContact SG-N 3.36Å; F38-R67 VanDerWaalsContact CG-NH2 3.27Å; A55-R67 CarbonylContact O-C 3.56Å; A55-R67 WeakPolarHBondContact O-CA 3.48Å; R67-M95 WeakPolarHBondContact CD-OXT 3.49Å; R67-M95 PolarHBondContact NH1-OXT 2.63Å
68L95.5Very high94.5Very high50 Ų5060.6 Ų60.626%0.26233%0.333SS..EExtended strand (participates in β ladder)trans-137.9143.3-169.7-61.6173.6000111.4A55 I57 F66 W78 F82A55-L68 PolarHBondContact N-O 2.85Å; A55-L68 PolarHBondContact O-N 2.86Å; I57-L68 HydrophobicContact CG1-CD1 3.89Å; F66-L68 HydrophobicContact CB-CG 4.46Å; L68-W78 HydrophobicContact CB-CH2 4.23Å; L68-W78 HydrophobicContact CB-CZ3 4.35Å; L68-W78 HydrophobicContact CD1-CE3 4.47Å; L68-W78 HydrophobicContact CD1-CH2 4.32Å; L68-W78 HydrophobicContact CD1-CZ3 3.65Å; L68-F82 HydrophobicContact CD1-CE2 4.05Å; L68-F82 HydrophobicContact CD1-CZ 4Å
69C93.8Very high94.5Very high30 Ų3062.9 Ų62.920%0.20334%0.34CS..EExtended strand (participates in β ladder)trans-80.5127.5164-177.60000109T30 Q48 C51T30-C69 HydrophobicContact CG2-CB 4.07Å; Q48-C69 HydrophobicContact CB-CB 4.22Å; Q48-C69 VanDerWaalsContact CD-CB 3.43Å; Q48-C69 HydrophobicContact CG-CB 3.97Å; Q48-C69 VanDerWaalsContact OE1-CB 3.25Å; C51-C69 WeakPolarHBondContact CA-SG 3.33Å; C51-C69 HydrophobicContact CB-CB 4.1Å; C51-C69 WeakPolarHBondContact CB-SG 3.36Å; C51-C69 WeakPolarHBondContact SG-CB 3.35Å; C51-C69 CovalentContact SG-SG 2.02Å; C51-C69 PolarHBondContact SG-SG 2.91Å
70A91.8Very high94.4Very high3 Ų368.9 Ų68.93%0.02537%0.365CS..EExtended strand (participates in β ladder)trans-132.2144.7-17300000113R52 W53 D72 Y77 W78R52-A70 PolarHBondContact N-O 2.81Å; W53-A70 HydrophobicContact CB-CB 4.22Å; W53-A70 PolarHBondContact N-O 2.81Å; W53-A70 PolarHBondContact O-N 3.23Å; A70-D72 VanDerWaalsContact C-N 3.35Å; A70-D72 VanDerWaalsContact CB-O 3.31Å; A70-D72 WeakPolarHBondContact CB-O 3.37Å; A70-Y77 HydrophobicContact CB-CE1 3.87Å; A70-W78 HydrophobicContact CB-CH2 3.43Å; A70-W78 VanDerWaalsContact CB-CH2 3.43Å; A70-W78 HydrophobicContact CB-CZ2 3.63Å
71A89.8Confident94.4Very high57 Ų5766.7 Ų66.747%0.47136%0.361SS..SBendtrans-80.2-18.9172.200000112.8R52 Y77R52-A71 WeakPolarHBondContact CD-O 3.3Å; R52-A71 PolarHBondContact NH1-O 3.28Å; A71-Y77 HydrophobicContact CB-CE2 4.34Å; A71-Y77 PolarHBondContact N-OH 2.87Å
72D91Very high94.4Very high87 Ų8764.1 Ų64.147%0.46533%0.327SS..  trans-146.7157-178.6-162.1-7.6000109.8A70 Y77A70-D72 VanDerWaalsContact C-N 3.35Å; A70-D72 VanDerWaalsContact CB-O 3.31Å; A70-D72 WeakPolarHBondContact CB-O 3.37Å; D72-Y77 HydrophobicContact CB-CD2 3.67Å; D72-Y77 HydrophobicContact CB-CE2 4.21Å; D72-Y77 HydrophobicContact CB-CG 3.96Å
73C91.7Very high94.3Very high35 Ų3567.3 Ų67.324%0.23635%0.352CS..  trans-125.370.4175-176.90000110.3W53 C89W53-C73 HydrophobicContact CB-CB 4.43Å; W53-C73 HydrophobicContact CD2-CB 3.63Å; W53-C73 HydrophobicContact CE3-CB 3.93Å; W53-C73 HydrophobicContact CG-CB 3.84Å; W53-C73 HydrophobicContact CZ2-CB 4.47Å; W53-C73 HydrophobicContact CZ3-CB 4.45Å; C73-C89 HydrophobicContact CB-CB 3.62Å; C73-C89 WeakPolarHBondContact CB-SG 3.41Å; C73-C89 WeakPolarHBondContact SG-CB 3.47Å; C73-C89 CovalentContact SG-SG 2.01Å; C73-C89 PolarHBondContact SG-SG 2.86Å
74G94.2Very high94.4Very high19 Ų1965.5 Ų65.520%0.19634%0.341CS..SBendtrans-139.5155.7179.300000112.2D76 Y77 W78G74-D76 VanDerWaalsContact C-N 3.25Å; G74-D76 PolarHBondContact O-N 2.88Å; G74-Y77 WeakPolarHBondContact O-CB 3.36Å; G74-Y77 PolarHBondContact O-N 2.84Å; G74-Y77 VanDerWaalsContact O-N 3.07Å; G74-W78 PolarHBondContact O-N 3Å
75Y95.7Very high94.5Very high131 Ų13161.5 Ų61.551%0.51433%0.326SS..Hα-helixtrans-55.4-42.2178.9175.9-99.6000112.2Y77 W78 K79 F85 Y87Y75-Y77 PolarHBondContact O-N 2.88Å; Y75-W78 PolarHBondContact O-N 3.05Å; Y75-K79 HydrophobicContact CD1-CD 3.96Å; Y75-K79 HydrophobicContact CE1-CB 4.15Å; Y75-K79 HydrophobicContact CE1-CD 3.61Å; Y75-K79 HydrophobicContact CE1-CG 4.46Å; Y75-K79 WeakPolarHBondContact O-CB 3.24Å; Y75-K79 PolarHBondContact O-N 2.86Å; Y75-F85 HydrophobicContact CD2-CE1 4.41Å; Y75-F85 HydrophobicContact CD2-CE2 4.27Å; Y75-F85 AromaticContact CD2-CZ 3.67Å; Y75-F85 HydrophobicContact CD2-CZ 3.67Å; Y75-F85 AromaticContact CE2-CE1 3.99Å; Y75-F85 HydrophobicContact CE2-CE1 3.99Å; Y75-F85 AromaticContact CE2-CZ 3.7Å; Y75-F85 HydrophobicContact CE2-CZ 3.7Å; Y75-Y87 PolarHBondContact N-OH 2.97Å
76D96.2Very high94.5Very high98 Ų9864.1 Ų64.152%0.52435%0.345SS..Hα-helixtrans-66-25.5-180-70.7-34.8000113.9G74 K79G74-D76 VanDerWaalsContact C-N 3.25Å; G74-D76 PolarHBondContact O-N 2.88Å; D76-K79 WeakPolarHBondContact OD1-CD 3.26Å; D76-K79 WeakPolarHBondContact OD1-CE 3.43Å; D76-K79 IonicContact OD1-NZ 2.66Å; D76-K79 PolarHBondContact OD1-NZ 3.24Å
77Y95.6Very high94.6Very high73 Ų7366.6 Ų66.629%0.28635%0.354SS..Hα-helixtrans-70.1-48.6173.6-175.1-96.2000110.4A70 A71 D72 G74 Y75A70-Y77 HydrophobicContact CB-CE1 3.87Å; A71-Y77 HydrophobicContact CB-CE2 4.34Å; A71-Y77 PolarHBondContact N-OH 2.87Å; D72-Y77 HydrophobicContact CB-CD2 3.67Å; D72-Y77 HydrophobicContact CB-CE2 4.21Å; D72-Y77 HydrophobicContact CB-CG 3.96Å; G74-Y77 WeakPolarHBondContact O-CB 3.36Å; G74-Y77 PolarHBondContact O-N 2.84Å; G74-Y77 VanDerWaalsContact O-N 3.07Å; Y75-Y77 PolarHBondContact O-N 2.88Å
78W96.2Very high94.5Very high4 Ų470.1 Ų70.12%0.01537%0.372CS..Hα-helixtrans-77.7-34.1-174.2-60.4120.9000114.3A55 I57 L68 A70 G74 Y75 K80 N81 F82 F85 Y87A55-W78 HydrophobicContact CB-CH2 3.48Å; A55-W78 VanDerWaalsContact CB-CH2 3.48Å; A55-W78 HydrophobicContact CB-CZ2 3.28Å; I57-W78 HydrophobicContact CD1-CD2 3.6Å; I57-W78 HydrophobicContact CD1-CE3 3.71Å; I57-W78 HydrophobicContact CD1-CG 4.16Å; I57-W78 HydrophobicContact CD1-CH2 4.08Å; I57-W78 HydrophobicContact CD1-CZ2 4.02Å; I57-W78 HydrophobicContact CD1-CZ3 3.95Å; I57-W78 HydrophobicContact CG1-CE3 4.22Å; I57-W78 HydrophobicContact CG1-CZ3 4.25Å; L68-W78 HydrophobicContact CB-CH2 4.23Å; L68-W78 HydrophobicContact CB-CZ3 4.35Å; L68-W78 HydrophobicContact CD1-CE3 4.47Å; L68-W78 HydrophobicContact CD1-CH2 4.32Å; L68-W78 HydrophobicContact CD1-CZ3 3.65Å; A70-W78 HydrophobicContact CB-CH2 3.43Å; A70-W78 VanDerWaalsContact CB-CH2 3.43Å; A70-W78 HydrophobicContact CB-CZ2 3.63Å; G74-W78 PolarHBondContact O-N 3Å; Y75-W78 PolarHBondContact O-N 3.05Å; W78-K80 PolarHBondContact O-N 2.99Å; W78-N81 PolarHBondContact O-N 3.24Å; W78-F82 HydrophobicContact CB-CD2 4.45Å; W78-F82 HydrophobicContact CE3-CD2 4.4Å; W78-F82 HydrophobicContact CE3-CE2 4.06Å; W78-F82 PolarHBondContact O-N 3.43Å; W78-F85 HydrophobicContact CB-CD2 4Å; W78-F85 HydrophobicContact CB-CE1 4.41Å; W78-F85 HydrophobicContact CB-CE2 3.18Å; W78-F85 HydrophobicContact CB-CZ 3.43Å; W78-F85 VanDerWaalsContact CB-CZ 3.43Å; W78-F85 AromaticContact CG-CE2 3.98Å; W78-F85 HydrophobicContact CG-CE2 3.98Å; W78-Y87 AromaticContact CD1-CD1 3.73Å; W78-Y87 AromaticContact CD1-CD2 3.48Å; W78-Y87 VanDerWaalsContact CD1-CD2 3.48Å; W78-Y87 AromaticContact CD1-CE2 3.85Å; W78-Y87 AromaticContact CD1-CG 3.4Å; W78-Y87 VanDerWaalsContact CD1-CG 3.4Å; W78-Y87 HydrophobicContact CG-CG 4.31Å; W78-Y87 AromaticContact NE1-CD2 3.33Å; W78-Y87 VanDerWaalsContact NE1-CD2 3.33Å; W78-Y87 AromaticContact NE1-CE2 3.86Å; W78-Y87 AromaticContact NE1-CG 3.65Å
79K96.2Very high94.4Very high106 Ų10669 Ų6946%0.46137%0.367SS..THydrogen-bonded Turntrans-61.6-15.4-177.779-177.9-169.1-171.70114Y75 D76 N81 F82 F85Y75-K79 HydrophobicContact CD1-CD 3.96Å; Y75-K79 HydrophobicContact CE1-CB 4.15Å; Y75-K79 HydrophobicContact CE1-CD 3.61Å; Y75-K79 HydrophobicContact CE1-CG 4.46Å; Y75-K79 WeakPolarHBondContact O-CB 3.24Å; Y75-K79 PolarHBondContact O-N 2.86Å; D76-K79 WeakPolarHBondContact OD1-CD 3.26Å; D76-K79 WeakPolarHBondContact OD1-CE 3.43Å; D76-K79 IonicContact OD1-NZ 2.66Å; D76-K79 PolarHBondContact OD1-NZ 3.24Å; K79-N81 VanDerWaalsContact C-N 3.31Å; K79-F82 WeakPolarHBondContact CA-O 3.3Å; K79-F85 HydrophobicContact CB-CE1 4.11Å; K79-F85 HydrophobicContact CB-CZ 4.19Å
80K95.2Very high94.3Very high163 Ų16368.4 Ų68.471%0.70936%0.364SS*.THydrogen-bonded Turntrans-66.6-33174.3-63.7177.3-176176.90112.3W78W78-K80 PolarHBondContact O-N 2.99Å
81N93.9Very high94.1Very high127 Ų12772.9 Ų72.968%0.67938%0.384SS*.THydrogen-bonded Turntrans-113-19.9-174.8-64.8-31.5000113.3W78 K79W78-N81 PolarHBondContact O-N 3.24Å; K79-N81 VanDerWaalsContact C-N 3.31Å
82F94.3Very high93.7Very high28 Ų2877.2 Ų77.212%0.12339%0.392CS..  trans-129.3127.6-175.7-53.6-69.9000110.8I57 I59 L68 W78 K79 F85I57-F82 HydrophobicContact CB-CE2 4.42Å; I57-F82 HydrophobicContact CG1-CE2 4.07Å; I57-F82 HydrophobicContact CG2-CD1 4.41Å; I57-F82 HydrophobicContact CG2-CD2 3.88Å; I57-F82 HydrophobicContact CG2-CE1 4.46Å; I57-F82 HydrophobicContact CG2-CE2 3.93Å; I57-F82 HydrophobicContact CG2-CG 4.12Å; I57-F82 HydrophobicContact CG2-CZ 4.23Å; I59-F82 HydrophobicContact CD1-CD1 3.59Å; I59-F82 HydrophobicContact CD1-CE1 3.65Å; I59-F82 HydrophobicContact CG1-CD1 3.84Å; I59-F82 HydrophobicContact CG1-CE1 4.18Å; L68-F82 HydrophobicContact CD1-CE2 4.05Å; L68-F82 HydrophobicContact CD1-CZ 4Å; W78-F82 HydrophobicContact CB-CD2 4.45Å; W78-F82 HydrophobicContact CE3-CD2 4.4Å; W78-F82 HydrophobicContact CE3-CE2 4.06Å; W78-F82 PolarHBondContact O-N 3.43Å; K79-F82 WeakPolarHBondContact CA-O 3.3Å; F82-F85 HydrophobicContact CB-CB 3.84Å; F82-F85 HydrophobicContact CB-CD1 3.4Å; F82-F85 HydrophobicContact CB-CD2 4.47Å; F82-F85 HydrophobicContact CB-CE1 4.08Å; F82-F85 HydrophobicContact CB-CG 3.64Å; F82-F85 HydrophobicContact CG-CG 4.49Å; F82-F85 WeakPolarHBondContact O-CD1 3.44Å; F82-F85 WeakPolarHBondContact O-CE1 3.23Å
83S92.5Very high93.1Very high115 Ų11581.6 Ų81.680%0.80440%0.402SS*.SBendtrans-87.5-32.5-178.156.80000113.9
84S95.1Very high92.4Very high60 Ų6082.9 Ų82.942%0.4241%0.406SS..SBendtrans-141.499.5-180-73.50000109.2K60K60-S84 PolarHBondContact N-O 3.06Å
85F97.1Very high91.4Very high34 Ų3484 Ų8415%0.14941%0.407CS..EExtended strand (participates in β ladder)trans-149162.2-170.365.6-77.8000112I57 N58 Y75 W78 K79 F82 Y87I57-F85 HydrophobicContact CG2-CB 4.03Å; I57-F85 HydrophobicContact CG2-CD2 4.36Å; N58-F85 CarbonylContact O-C 3.51Å; N58-F85 VanDerWaalsContact O-CA 3.23Å; N58-F85 WeakPolarHBondContact O-CA 3.4Å; Y75-F85 HydrophobicContact CD2-CE1 4.41Å; Y75-F85 HydrophobicContact CD2-CE2 4.27Å; Y75-F85 AromaticContact CD2-CZ 3.67Å; Y75-F85 HydrophobicContact CD2-CZ 3.67Å; Y75-F85 AromaticContact CE2-CE1 3.99Å; Y75-F85 HydrophobicContact CE2-CE1 3.99Å; Y75-F85 AromaticContact CE2-CZ 3.7Å; Y75-F85 HydrophobicContact CE2-CZ 3.7Å; W78-F85 HydrophobicContact CB-CD2 4Å; W78-F85 HydrophobicContact CB-CE1 4.41Å; W78-F85 HydrophobicContact CB-CE2 3.18Å; W78-F85 HydrophobicContact CB-CZ 3.43Å; W78-F85 VanDerWaalsContact CB-CZ 3.43Å; W78-F85 AromaticContact CG-CE2 3.98Å; W78-F85 HydrophobicContact CG-CE2 3.98Å; K79-F85 HydrophobicContact CB-CE1 4.11Å; K79-F85 HydrophobicContact CB-CZ 4.19Å; F82-F85 HydrophobicContact CB-CB 3.84Å; F82-F85 HydrophobicContact CB-CD1 3.4Å; F82-F85 HydrophobicContact CB-CD2 4.47Å; F82-F85 HydrophobicContact CB-CE1 4.08Å; F82-F85 HydrophobicContact CB-CG 3.64Å; F82-F85 HydrophobicContact CG-CG 4.49Å; F82-F85 WeakPolarHBondContact O-CD1 3.44Å; F82-F85 WeakPolarHBondContact O-CE1 3.23Å; F85-Y87 HydrophobicContact CD2-CD1 4.05Å; F85-Y87 AromaticContact CE2-CD1 3.59Å; F85-Y87 HydrophobicContact CE2-CD1 3.59Å; F85-Y87 HydrophobicContact CE2-CE1 4.2Å; F85-Y87 HydrophobicContact CE2-CG 4.42Å
86S97.1Very high91.2Very high63 Ų6381.7 Ų81.744%0.44140%0.402SS..EExtended strand (participates in β ladder)trans-120.8153.6158.359.30000108.2I57 N58I57-S86 WeakPolarHBondContact CA-O 3.47Å; N58-S86 WeakPolarHBondContact CB-OG 3.46Å; N58-S86 PolarHBondContact N-O 3.12Å; N58-S86 PolarHBondContact ND2-OG 3.18Å; N58-S86 PolarHBondContact O-N 2.88Å
87Y96.6Very high91Very high83 Ų8380.8 Ų80.833%0.32540%0.395SS..EExtended strand (participates in β ladder)trans-136.4145.817966.2-79.1000110K56 I57 Y75 W78 F85K56-Y87 WeakPolarHBondContact O-CA 3.08Å; I57-Y87 VanDerWaalsContact CD1-CB 3.45Å; Y75-Y87 PolarHBondContact N-OH 2.97Å; W78-Y87 AromaticContact CD1-CD1 3.73Å; W78-Y87 AromaticContact CD1-CD2 3.48Å; W78-Y87 VanDerWaalsContact CD1-CD2 3.48Å; W78-Y87 AromaticContact CD1-CE2 3.85Å; W78-Y87 AromaticContact CD1-CG 3.4Å; W78-Y87 VanDerWaalsContact CD1-CG 3.4Å; W78-Y87 HydrophobicContact CG-CG 4.31Å; W78-Y87 AromaticContact NE1-CD2 3.33Å; W78-Y87 VanDerWaalsContact NE1-CD2 3.33Å; W78-Y87 AromaticContact NE1-CE2 3.86Å; W78-Y87 AromaticContact NE1-CG 3.65Å; F85-Y87 HydrophobicContact CD2-CD1 4.05Å; F85-Y87 AromaticContact CE2-CD1 3.59Å; F85-Y87 HydrophobicContact CE2-CD1 3.59Å; F85-Y87 HydrophobicContact CE2-CE1 4.2Å; F85-Y87 HydrophobicContact CE2-CG 4.42Å
88E95.3Very high90.7Very high106 Ų10681.2 Ų81.250%0.49540%0.401SS..EExtended strand (participates in β ladder)trans-127.3132.8168-179.7-176.4-177.900106.1A55 K56 M95A55-E88 CarbonylContact C-O 3.58Å; A55-E88 VanDerWaalsContact CA-O 3.3Å; A55-E88 WeakPolarHBondContact CA-O 3.48Å; K56-E88 PolarHBondContact N-O 3.08Å; K56-E88 PolarHBondContact O-N 2.92Å; E88-M95 HydrophobicContact CG-CE 4.4Å
89C93.9Very high90.4Very high26 Ų2685.8 Ų85.818%0.17642%0.424CS..EExtended strand (participates in β ladder)trans-124156.3169.7-30.20000111.1W53 C54 A55 C73W53-C89 HydrophobicContact CB-CB 4.25Å; W53-C89 HydrophobicContact CD2-CB 4.36Å; W53-C89 HydrophobicContact CE3-CB 3.73Å; W53-C89 HydrophobicContact CZ3-CB 4.49Å; C54-C89 CarbonylContact O-C 3.56Å; C54-C89 VanDerWaalsContact O-CA 3.22Å; C54-C89 WeakPolarHBondContact O-CA 3.24Å; A55-C89 HydrophobicContact CB-CB 4.33Å; C73-C89 HydrophobicContact CB-CB 3.62Å; C73-C89 WeakPolarHBondContact CB-SG 3.41Å; C73-C89 WeakPolarHBondContact SG-CB 3.47Å; C73-C89 CovalentContact SG-SG 2.01Å; C73-C89 PolarHBondContact SG-SG 2.86Å
90C90.5Very high90Very high18 Ų1884.5 Ų84.512%0.12242%0.422CS..EExtended strand (participates in β ladder)trans-140.6166.7171.876.40000110.4C54 K92 M95C54-C90 PolarHBondContact N-O 3.3Å; C54-C90 PolarHBondContact O-N 2.02Å; C90-K92 HydrophobicContact CB-CG 4.42Å; C90-K92 PolarHBondContact SG-N 3.32Å; C90-K92 VanDerWaalsContact SG-N 3.42Å; C90-M95 HydrophobicContact CB-SD 3.83Å; C90-M95 WeakPolarHBondContact SG-CB 3.4Å; C90-M95 PolarHBondContact SG-SD 3.33Å
91Q87.4Confident89.7Confident97 Ų9779.3 Ų79.345%0.45340%0.403SS..  trans-11045.4169.3-62.1-176.4-71.800110.4L26 R52 W53L26-Q91 VanDerWaalsContact CD1-CA 3.45Å; L26-Q91 HydrophobicContact CD1-CB 3.76Å; L26-Q91 HydrophobicContact CD1-CG 4.06Å; L26-Q91 WeakPolarHBondContact CD2-O 3.46Å; R52-Q91 PolarHBondContact O-NE2 3.36Å; W53-Q91 HydrophobicContact CD2-CG 3.95Å; W53-Q91 HydrophobicContact CE3-CG 3.5Å; W53-Q91 HydrophobicContact CH2-CG 3.86Å; W53-Q91 HydrophobicContact CZ2-CG 4.28Å; W53-Q91 HydrophobicContact CZ3-CG 3.47Å; W53-Q91 VanDerWaalsContact CZ3-CG 3.47Å
92K82.1Confident89.4Confident149 Ų14975.9 Ų75.965%0.64838%0.383SS*.  trans-108.9132.8176.8-65.5-176.7179.21780109.4C54 C90 L94C54-K92 PolarHBondContact SG-O 2.97Å; C54-K92 VanDerWaalsContact SG-O 3.34Å; C90-K92 HydrophobicContact CB-CG 4.42Å; C90-K92 PolarHBondContact SG-N 3.32Å; C90-K92 VanDerWaalsContact SG-N 3.42Å; K92-L94 PolarHBondContact O-N 3.34Å
93R78.2Confident89Confident179 Ų17979.5 Ų79.568%0.67540%0.403SS*.THydrogen-bonded Turntrans-61.5130.7175.4177.8177.2-87.4-154-3.5109.7K27K27-R93 HydrophobicContact CB-CG 4.25Å; K27-R93 CarbonylContact O-C 3.55Å; K27-R93 WeakPolarHBondContact O-CA 3.06Å
94L77.2Confident88.7Confident61 Ų6176.6 Ų76.632%0.31937%0.37SS..THydrogen-bonded Turntrans62.338.2175.5-63.3173.1000114.2K27 Y29 E47 K92K27-L94 HydrophobicContact CB-CD2 4.32Å; K27-L94 HydrophobicContact CD-CD2 3.98Å; K27-L94 HydrophobicContact CG-CD2 3.87Å; K27-L94 PolarHBondContact O-N 2.8Å; Y29-L94 HydrophobicContact CD1-CD2 4.3Å; Y29-L94 HydrophobicContact CD2-CB 4.07Å; Y29-L94 HydrophobicContact CD2-CD2 4.38Å; Y29-L94 WeakPolarHBondContact CD2-O 3.23Å; Y29-L94 HydrophobicContact CE1-CD2 3.96Å; Y29-L94 HydrophobicContact CE2-CB 3.61Å; Y29-L94 HydrophobicContact CE2-CD2 4.05Å; Y29-L94 HydrophobicContact CE2-CG 4.32Å; Y29-L94 VanDerWaalsContact CE2-O 3.29Å; Y29-L94 WeakPolarHBondContact CE2-O 3.11Å; Y29-L94 HydrophobicContact CG-CD2 4.49Å; E47-L94 HydrophobicContact CG-CD2 4.17Å; K92-L94 PolarHBondContact O-N 3.34Å
95M74Confident88.1Confident43 Ų4378.1 Ų78.121%0.21237%0.365CS..  trans-88.80156.1-177.6161.3164.700110.6Y29 C54 R67 E88 C90Y29-M95 PolarHBondContact N-O 3.48Å; C54-M95 HydrophobicContact CB-CB 4.24Å; R67-M95 WeakPolarHBondContact CD-OXT 3.49Å; R67-M95 PolarHBondContact NH1-OXT 2.63Å; E88-M95 HydrophobicContact CG-CE 4.4Å; C90-M95 HydrophobicContact CB-SD 3.83Å; C90-M95 WeakPolarHBondContact SG-CB 3.4Å; C90-M95 PolarHBondContact SG-SD 3.33Å

Retrieved 95 of 95 residues in 51.3 ms (Link to these results)

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