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Nucleoporin Nup37

Component of the Nup107-160 subcomplex of the nuclear pore complex (NPC). The Nup107-160 subcomplex is required for the assembly of a functional NPC. The Nup107-160 subcomplex is also required for normal kinetochore microtubule attachment, mitotic progression and chromosome segregation.

AlphaFold DB , UniProt , Accession Q8NFH4, Species HUMAN (Homo sapiens, Human), Gene NUP37, Length 326 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
1M35.1Very low64.8Low243 Ų243120.4 Ų120.4100%1.19763%0.629SS**  085.70-140.9173.7-166.300106.5Q3M1-Q3 PolarHBondContact O-N 3.42Å
2K37.2Very low67.3Low206 Ų206115.6 Ų115.690%0.89661%0.609SS**  trans-80.6110.3172-82.8-175.1174.2-1760105.2D4K2-D4 PolarHBondContact O-N 2.99Å
3Q36.2Very low69.5Low185 Ų185107.7 Ų107.786%0.86457%0.568SS**  trans-63.4119.6169.8-83.7173.2-1000107.3M1 A5M1-Q3 PolarHBondContact O-N 3.42Å; Q3-A5 PolarHBondContact O-N 3.3Å
4D45.8Very low71.4Confident152 Ų152108.6 Ų108.681%0.81357%0.573SS**  trans-62.1101.4168.4-82-37.5000108K2 S6K2-D4 PolarHBondContact O-N 2.99Å; D4-S6 PolarHBondContact O-N 3.05Å
5A52.8Low72.9Confident67 Ų67102.2 Ų102.255%0.55454%0.541SS*.  trans-8251.3174.500000110.3Q3 R7Q3-A5 PolarHBondContact O-N 3.3Å; A5-R7 PolarHBondContact O-N 3.43Å
6S65.3Low74Confident71 Ų71106.6 Ų106.650%0.49756%0.557SS.*PPolyproline II helixtrans-70.1122.917056.70000108.7D4 M293D4-S6 PolarHBondContact O-N 3.05Å; S6-M293 WeakPolarHBondContact CA-O 3.19Å
7R75.7Confident74.9Confident148 Ų148102.2 Ų102.256%0.55854%0.535SS*.PPolyproline II helixtrans-87.6133.6174.8-71-172.6178.7-174.70.2109.2A5 L292 M293 W322A5-R7 PolarHBondContact O-N 3.43Å; R7-L292 HydrophobicContact CB-CD1 4.42Å; R7-L292 HydrophobicContact CB-CG 4.38Å; R7-M293 PolarHBondContact N-O 3.25Å; R7-W322 PolarHBondContact O-NE1 3.38Å
8N85.9Confident75.8Confident150 Ų150101.8 Ų101.880%0.80253%0.526SS*.PPolyproline II helixtrans-61.6155.5168-70.1-23.5000110.1W322N8-W322 PolarHBondContact O-NE1 3.02Å
9A90.8Very high76.8Confident25 Ų2596.7 Ų96.721%0.20750%0.499CS..PPolyproline II helixtrans-58.3139.317100000109.8Y11 L320 F321 W322A9-Y11 VanDerWaalsContact C-N 3.34Å; A9-Y11 WeakPolarHBondContact CB-O 3.06Å; A9-L320 HydrophobicContact CB-CB 4.06Å; A9-L320 HydrophobicContact CB-CD2 3.97Å; A9-F321 CarbonylContact C-O 3.03Å; A9-F321 WeakPolarHBondContact CA-O 3.29Å; A9-W322 HydrophobicContact CB-CD2 4.29Å; A9-W322 HydrophobicContact CB-CH2 4.33Å; A9-W322 HydrophobicContact CB-CZ2 3.81Å
10A93Very high77.7Confident53 Ų5394.8 Ų94.844%0.43849%0.488SS..SBendtrans-67.2-40.5174.300000110.5F321 V323A10-F321 PolarHBondContact N-O 3.11Å; A10-V323 HydrophobicContact CB-CB 4.42Å; A10-V323 HydrophobicContact CB-CG2 3.89Å
11Y94.9Very high78.6Confident24 Ų2490.8 Ų90.89%0.09447%0.468CS..EExtended strand (participates in β ladder)trans-134155.4177.8-46.4-65.7000111.4A9 F51 Q52 E53 I61 L310 F321 V323A9-Y11 VanDerWaalsContact C-N 3.34Å; A9-Y11 WeakPolarHBondContact CB-O 3.06Å; Y11-F51 AromaticContact CD2-CD1 3.63Å; Y11-F51 HydrophobicContact CD2-CD1 3.63Å; Y11-F51 AromaticContact CD2-CE1 3.87Å; Y11-F51 HydrophobicContact CD2-CE1 3.87Å; Y11-F51 AromaticContact CE2-CD1 3.76Å; Y11-F51 HydrophobicContact CE2-CD1 3.76Å; Y11-F51 HydrophobicContact CE2-CE1 4.41Å; Y11-F51 HydrophobicContact CG-CD1 4.46Å; Y11-Q52 VanDerWaalsContact OH-CG 3.29Å; Y11-Q52 WeakPolarHBondContact OH-CG 3.44Å; Y11-Q52 PolarHBondContact OH-NE2 3.24Å; Y11-E53 PolarHBondContact OH-OE1 2.99Å; Y11-E53 PolarHBondContact OH-OE2 2.81Å; Y11-I61 HydrophobicContact CD1-CB 4.12Å; Y11-I61 HydrophobicContact CD1-CG2 4.29Å; Y11-I61 HydrophobicContact CG-CB 4.01Å; Y11-I61 HydrophobicContact CG-CG2 4.25Å; Y11-L310 HydrophobicContact CD2-CD1 4.37Å; Y11-L310 HydrophobicContact CE2-CD1 4.29Å; Y11-F321 HydrophobicContact CD2-CB 4.17Å; Y11-F321 PolarHBondContact N-O 2.61Å; Y11-F321 PolarHBondContact O-N 2.86Å; Y11-V323 HydrophobicContact CD2-CG2 4.4Å; Y11-V323 HydrophobicContact CE2-CG2 3.74Å
12T94.8Very high81.5Confident63 Ų6379.2 Ų79.239%0.38741%0.411SS..EExtended strand (participates in β ladder)trans-142.2135.6177.7-600000109.7K318 L319 L320T12-K318 HydrophobicContact CG2-CB 4.29Å; T12-K318 HydrophobicContact CG2-CD 3.84Å; T12-K318 HydrophobicContact CG2-CG 4.2Å; T12-L319 WeakPolarHBondContact CA-O 3.44Å; T12-L320 HydrophobicContact CG2-CD2 3.78Å; T12-L320 WeakPolarHBondContact OG1-CD2 3.47Å
13V96.1Very high84.4Confident13 Ų1371 Ų718%0.07938%0.376CS..EExtended strand (participates in β ladder)trans-123123173.31720000108.2I61 Y63 K318 L319 F321V13-I61 HydrophobicContact CG2-CD1 3.92Å; V13-Y63 HydrophobicContact CB-CG 4.49Å; V13-Y63 HydrophobicContact CG1-CD1 3.46Å; V13-Y63 VanDerWaalsContact CG1-CD1 3.46Å; V13-Y63 HydrophobicContact CG1-CD2 4.23Å; V13-Y63 HydrophobicContact CG1-CE1 3.91Å; V13-Y63 HydrophobicContact CG1-CG 3.64Å; V13-Y63 HydrophobicContact CG2-CD2 4.48Å; V13-Y63 HydrophobicContact CG2-CG 4.03Å; V13-K318 CarbonylContact O-C 3.49Å; V13-K318 WeakPolarHBondContact O-CA 3.42Å; V13-L319 HydrophobicContact CB-CB 4.25Å; V13-L319 PolarHBondContact N-O 3.01Å; V13-L319 PolarHBondContact O-N 2.84Å; V13-F321 HydrophobicContact CB-CE2 4.27Å; V13-F321 HydrophobicContact CG2-CE2 3.81Å; V13-F321 HydrophobicContact CG2-CZ 4.47Å
14D95.7Very high87.3Confident120 Ų12062.4 Ų62.464%0.64234%0.335SS*.EExtended strand (participates in β ladder)trans-74141.6175.1-63.8-53.7000111K318D14-K318 VanDerWaalsContact OD1-CE 3.24Å; D14-K318 WeakPolarHBondContact OD1-CE 3.48Å
15C94.4Very high89.7Confident13 Ų1355.1 Ų55.19%0.08830%0.297CS..  trans-122.2151.3-178-63.40000110.1D17 V19 Y38 H317C15-D17 PolarHBondContact O-N 3.45Å; C15-V19 HydrophobicContact CB-CG2 4.12Å; C15-Y38 HydrophobicContact CB-CE2 4.05Å; C15-H317 WeakPolarHBondContact CA-O 3.23Å; C15-H317 WeakPolarHBondContact CB-O 3.5Å; C15-H317 PolarHBondContact N-O 3.13Å
16E89.9Confident91.6Very high172 Ų17254.8 Ų54.880%0.80429%0.289SS*.SBendtrans-71.6-28.5-175.8-63.5-176.7167.100113.9H317E16-H317 PolarHBondContact O-ND1 3.01Å
17D89.1Confident92.9Very high32 Ų3253 Ų5317%0.17127%0.272CS..SBendtrans-138.5174.4179.1-166.911.2000109.8C15 V19 N41 Y43 H317C15-D17 PolarHBondContact O-N 3.45Å; D17-V19 PolarHBondContact O-N 3.39Å; D17-N41 VanDerWaalsContact CG-ND2 3.33Å; D17-N41 PolarHBondContact OD1-ND2 2.86Å; D17-N41 VanDerWaalsContact OD2-CB 3.28Å; D17-N41 WeakPolarHBondContact OD2-CB 3.44Å; D17-N41 PolarHBondContact OD2-N 2.95Å; D17-N41 PolarHBondContact OD2-ND2 2.96Å; D17-N41 VanDerWaalsContact OD2-ND2 3.09Å; D17-Y43 WeakPolarHBondContact CA-OH 3.2Å; D17-Y43 HydrophobicContact CB-CD1 4.3Å; D17-Y43 HydrophobicContact CB-CE1 3.17Å; D17-Y43 VanDerWaalsContact CB-CZ 3.41Å; D17-Y43 WeakPolarHBondContact CB-OH 3.5Å; D17-Y43 PolarHBondContact N-OH 2.74Å; D17-Y43 PolarHBondContact O-OH 3.25Å; D17-H317 VanDerWaalsContact C-ND1 3.27Å; D17-H317 VanDerWaalsContact CA-CE1 3.47Å; D17-H317 WeakPolarHBondContact CA-CE1 3.35Å; D17-H317 WeakPolarHBondContact CA-ND1 3.35Å
18Y92.5Very high93.2Very high96 Ų9653.1 Ų53.138%0.37628%0.279SS..  trans-52.2137.8174.9-70.1-86.5000111.4G40 D316 H317Y18-G40 WeakPolarHBondContact O-CA 3.37Å; Y18-D316 WeakPolarHBondContact CE1-OD1 3.38Å; Y18-H317 AromaticContact CD2-NE2 3.67Å; Y18-H317 AromaticContact CE2-NE2 3.36Å; Y18-H317 WeakPolarHBondContact CE2-NE2 3.36Å; Y18-H317 AromaticContact CZ-NE2 3.56Å
19V95Very high92.8Very high4 Ų449 Ų492%0.02426%0.257CS..  trans-93.6125.3168.3-177.50000107.2C15 D17 V21 V22 Y38 S300 L319C15-V19 HydrophobicContact CB-CG2 4.12Å; D17-V19 PolarHBondContact O-N 3.39Å; V19-V21 WeakPolarHBondContact CG1-O 3.19Å; V19-V22 HydrophobicContact CG1-CB 4.39Å; V19-Y38 HydrophobicContact CG1-CD2 4.44Å; V19-Y38 HydrophobicContact CG2-CD2 3.84Å; V19-Y38 HydrophobicContact CG2-CE2 4.3Å; V19-Y38 HydrophobicContact CG2-CG 4.43Å; V19-S300 VanDerWaalsContact C-OG 3.23Å; V19-S300 PolarHBondContact O-OG 3.03Å; V19-L319 HydrophobicContact CG1-CD2 4.07Å; V19-L319 HydrophobicContact CG2-CD2 4.08Å
20H94.3Very high92Very high59 Ų5949 Ų4927%0.27326%0.259SS..SBendtrans-107.9-23.6176-69.8-67.3000112.7G39 N41 V75 S300H20-G39 PolarHBondContact N-O 2.78Å; H20-N41 PolarHBondContact NE2-OD1 2.99Å; H20-V75 WeakPolarHBondContact CB-O 3.49Å; H20-S300 VanDerWaalsContact C-OG 3.32Å; H20-S300 VanDerWaalsContact CA-OG 3.3Å; H20-S300 WeakPolarHBondContact CA-OG 3.26Å; H20-S300 VanDerWaalsContact O-CB 3.27Å; H20-S300 WeakPolarHBondContact O-CB 3.29Å; H20-S300 PolarHBondContact O-OG 3.21Å
21V96Very high91.3Very high10 Ų1052.8 Ų52.86%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-151.8146.5176.157.90000109.2V19 Y38 G39 V75 I78V19-V21 WeakPolarHBondContact CG1-O 3.19Å; V21-Y38 CarbonylContact O-C 3.57Å; V21-Y38 WeakPolarHBondContact O-CA 3.48Å; V21-Y38 WeakPolarHBondContact O-CB 3.44Å; V21-G39 PolarHBondContact O-N 3.48Å; V21-V75 HydrophobicContact CG1-CB 4.42Å; V21-V75 HydrophobicContact CG1-CG1 3.85Å; V21-I78 HydrophobicContact CG1-CD1 3.76Å; V21-I78 HydrophobicContact CG1-CG1 3.76Å; V21-I78 HydrophobicContact CG2-CB 4.47Å; V21-I78 HydrophobicContact CG2-CG1 4.38Å
22V97.3Very high90.6Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-141.6136175.557.90000109.1V19 I36 A37 V312 L319V19-V22 HydrophobicContact CG1-CB 4.39Å; V22-I36 HydrophobicContact CG2-CD1 3.63Å; V22-I36 HydrophobicContact CG2-CG1 3.79Å; V22-A37 CarbonylContact C-O 3.57Å; V22-A37 VanDerWaalsContact CA-O 3.31Å; V22-A37 WeakPolarHBondContact CA-O 3.09Å; V22-V312 HydrophobicContact CG1-CG1 4Å; V22-V312 HydrophobicContact CG1-CG2 4.4Å; V22-V312 HydrophobicContact CG2-CG1 3.7Å; V22-V312 HydrophobicContact CG2-CG2 4.05Å; V22-L319 HydrophobicContact CB-CD2 4.19Å; V22-L319 HydrophobicContact CG2-CD2 3.88Å
23E97.6Very high89.9Confident35 Ų3548.9 Ų48.916%0.16425%0.251CS..EExtended strand (participates in β ladder)trans-142125.8175.9-71.9-64.7174.800111.2A37 I78 W80 R258 S303E23-A37 PolarHBondContact N-O 3.3Å; E23-A37 PolarHBondContact O-N 2.98Å; E23-I78 HydrophobicContact CB-CB 4.45Å; E23-I78 HydrophobicContact CB-CG2 4.34Å; E23-I78 HydrophobicContact CG-CB 4.29Å; E23-W80 PolarHBondContact O-NE1 3.5Å; E23-R258 IonicContact OE1-NH2 3.76Å; E23-S303 VanDerWaalsContact OE2-CB 3.24Å; E23-S303 WeakPolarHBondContact OE2-CB 3.31Å; E23-S303 PolarHBondContact OE2-OG 3.28Å
24F97.2Very high89.7Confident3 Ų349.9 Ų49.91%0.01326%0.257CS..EExtended strand (participates in β ladder)trans-70.1149.8163.1-79.9-69.4000109.9P26 I36 C49 F51 W80 S303 W304 H305 L310 V312 F321F24-P26 VanDerWaalsContact O-CD 3.26Å; F24-P26 WeakPolarHBondContact O-CD 3.5Å; F24-I36 HydrophobicContact CD1-CB 3.9Å; F24-I36 HydrophobicContact CD1-CD1 4.14Å; F24-I36 HydrophobicContact CD1-CG1 4.07Å; F24-I36 HydrophobicContact CE1-CB 4Å; F24-I36 HydrophobicContact CE1-CD1 3.77Å; F24-I36 HydrophobicContact CE1-CG1 4.16Å; F24-I36 HydrophobicContact CE2-CD1 4.35Å; F24-I36 HydrophobicContact CZ-CD1 3.91Å; F24-C49 HydrophobicContact CE1-CB 4.48Å; F24-F51 HydrophobicContact CE1-CE2 4.47Å; F24-F51 HydrophobicContact CZ-CE2 4.34Å; F24-F51 HydrophobicContact CZ-CZ 4.1Å; F24-W80 VanDerWaalsContact O-CD1 3.25Å; F24-W80 PolarHBondContact O-NE1 3.4Å; F24-S303 PolarHBondContact N-OG 3.13Å; F24-W304 WeakPolarHBondContact CB-O 3.25Å; F24-W304 VanDerWaalsContact CD2-C 3.5Å; F24-H305 AromaticContact CD1-CD2 3.95Å; F24-H305 AromaticContact CE1-CD2 3.63Å; F24-H305 HydrophobicContact CE2-CB 4.28Å; F24-H305 HydrophobicContact CZ-CB 4.5Å; F24-H305 AromaticContact CZ-CD2 3.84Å; F24-L310 HydrophobicContact CE2-CD2 4.16Å; F24-L310 HydrophobicContact CZ-CD2 4.15Å; F24-V312 HydrophobicContact CD2-CB 4.47Å; F24-V312 HydrophobicContact CD2-CG1 3.64Å; F24-V312 HydrophobicContact CE2-CB 3.71Å; F24-V312 HydrophobicContact CE2-CG1 3.36Å; F24-V312 HydrophobicContact CZ-CB 4.31Å; F24-V312 HydrophobicContact CZ-CG1 4.22Å; F24-F321 HydrophobicContact CE2-CE1 4.36Å; F24-F321 HydrophobicContact CZ-CD1 4.08Å; F24-F321 AromaticContact CZ-CE1 3.69Å; F24-F321 HydrophobicContact CZ-CE1 3.69Å
25N95.9Very high89.7Confident0 Ų044.2 Ų44.20%023%0.226CC..  trans-70115.9169.8179.616.2000109.7F27 S32 L35 W80N25-F27 VanDerWaalsContact C-N 3.31Å; N25-F27 PolarHBondContact O-N 2.89Å; N25-F27 VanDerWaalsContact OD1-CD2 3.3Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.38Å; N25-F27 PolarHBondContact OD1-N 2.91Å; N25-S32 WeakPolarHBondContact ND2-CB 3.18Å; N25-S32 PolarHBondContact ND2-O 2.91Å; N25-S32 PolarHBondContact ND2-OG 3.09Å; N25-L35 HydrophobicContact CB-CB 3.78Å; N25-L35 PolarHBondContact N-O 2.88Å; N25-W80 HydrophobicContact CB-CD2 4.01Å; N25-W80 HydrophobicContact CB-CG 4.14Å; N25-W80 HydrophobicContact CB-CZ2 4.39Å
26P92.9Very high89.8Confident59 Ų5943.6 Ų43.638%0.38322%0.222SC..  trans-81.6-10.7-176.634.6-35.6000113F24 R306F24-P26 VanDerWaalsContact O-CD 3.26Å; F24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-R306 WeakPolarHBondContact O-CD 3.27Å
27F91.4Very high90.2Very high33 Ų3335.4 Ų35.415%0.14518%0.184CC..  trans-88.5149.9-171-56.9-68.8000113N25 N29 W80 P82 P134 R306N25-F27 VanDerWaalsContact C-N 3.31Å; N25-F27 PolarHBondContact O-N 2.89Å; N25-F27 VanDerWaalsContact OD1-CD2 3.3Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.38Å; N25-F27 PolarHBondContact OD1-N 2.91Å; F27-N29 VanDerWaalsContact C-N 3.33Å; F27-W80 HydrophobicContact CD2-CB 4.18Å; F27-W80 HydrophobicContact CE2-CB 3.96Å; F27-W80 WeakPolarHBondContact CE2-O 3.37Å; F27-P82 HydrophobicContact CD1-CB 3.78Å; F27-P82 HydrophobicContact CD2-CB 4.16Å; F27-P82 HydrophobicContact CE1-CB 3.88Å; F27-P82 HydrophobicContact CE2-CB 4.27Å; F27-P82 HydrophobicContact CG-CB 3.93Å; F27-P82 HydrophobicContact CZ-CB 4.13Å; F27-P82 HydrophobicContact CZ-CG 4.46Å; F27-P134 HydrophobicContact CE1-CB 3.74Å; F27-P134 HydrophobicContact CZ-CB 4.32Å; F27-R306 WeakPolarHBondContact O-CD 3.46Å
28E82.9Confident90.6Very high152 Ų15234.2 Ų34.271%0.7118%0.177SC*.  trans-89.54.7-179.1-176.5161.6-145.800113.3G30 R306E28-G30 PolarHBondContact O-N 3.01Å; E28-R306 IonicContact OE1-NH1 3.07Å
29N77.8Confident90.8Very high62 Ų6229.7 Ų29.733%0.33216%0.159SC..SBendtrans-73.6107.3-170.9-71.3-27.9000111.9F27 S32 P82F27-N29 VanDerWaalsContact C-N 3.33Å; N29-S32 WeakPolarHBondContact O-CB 3.42Å; N29-S32 PolarHBondContact O-OG 2.97Å; N29-P82 PolarHBondContact ND2-O 3.12Å
30G74Confident90.8Very high25 Ų2529.5 Ų29.526%0.25816%0.158SC..SBendtrans67.5-162-179.100000113.2E28 S32 D87E28-G30 PolarHBondContact O-N 3.01Å; G30-S32 PolarHBondContact O-N 3.2Å; G30-D87 VanDerWaalsContact CA-OD2 3.22Å; G30-D87 WeakPolarHBondContact CA-OD2 3.34Å
31D77Confident90.9Very high134 Ų13429 Ų2972%0.71716%0.157SC*.THydrogen-bonded Turntrans-7737.6179-67.7-23.6000113.1
32S81.9Confident90.8Very high0 Ų032.1 Ų32.10%017%0.174CC..THydrogen-bonded Turntrans-1000.2-173.272.10000114.2N25 N29 G30 N34 L35N25-S32 WeakPolarHBondContact ND2-CB 3.18Å; N25-S32 PolarHBondContact ND2-O 2.91Å; N25-S32 PolarHBondContact ND2-OG 3.09Å; N29-S32 WeakPolarHBondContact O-CB 3.42Å; N29-S32 PolarHBondContact O-OG 2.97Å; G30-S32 PolarHBondContact O-N 3.2Å; S32-N34 PolarHBondContact O-N 3.38Å; S32-L35 VanDerWaalsContact O-CB 3.26Å; S32-L35 WeakPolarHBondContact O-CB 3.31Å; S32-L35 WeakPolarHBondContact O-CG 3.36Å; S32-L35 PolarHBondContact O-N 2.86Å; S32-L35 VanDerWaalsContact O-N 3.08Å
33G80.1Confident90.8Very high4 Ų433.2 Ų33.24%0.04118%0.178CC..THydrogen-bonded Turntrans-63.5-22.8-175.900000114.7
34N90.6Very high90.8Very high35 Ų3531.6 Ų31.619%0.18717%0.17CC..THydrogen-bonded Turntrans-93.11.8-179.3-71.58.2000112.4S32 T48 C49S32-N34 PolarHBondContact O-N 3.38Å; N34-T48 CarbonylContact O-C 3.45Å; N34-T48 VanDerWaalsContact O-CA 3.28Å; N34-T48 WeakPolarHBondContact O-CA 3.4Å; N34-C49 VanDerWaalsContact CB-O 3.23Å; N34-C49 WeakPolarHBondContact CB-O 3.38Å; N34-C49 PolarHBondContact O-N 3.27Å
35L96.2Very high90.8Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-70.8137178.1-74.9176.6000111.2N25 S32 I46 G47 T48 L66 W80 T84 L86 I93N25-L35 HydrophobicContact CB-CB 3.78Å; N25-L35 PolarHBondContact N-O 2.88Å; S32-L35 VanDerWaalsContact O-CB 3.26Å; S32-L35 WeakPolarHBondContact O-CB 3.31Å; S32-L35 WeakPolarHBondContact O-CG 3.36Å; S32-L35 PolarHBondContact O-N 2.86Å; S32-L35 VanDerWaalsContact O-N 3.08Å; L35-I46 HydrophobicContact CD2-CG2 4.11Å; L35-G47 WeakPolarHBondContact CA-O 3.45Å; L35-T48 HydrophobicContact CD2-CG2 3.86Å; L35-L66 HydrophobicContact CD2-CD1 3.62Å; L35-W80 HydrophobicContact CB-CH2 4Å; L35-W80 HydrophobicContact CB-CZ2 4.13Å; L35-W80 HydrophobicContact CD1-CH2 4.14Å; L35-W80 HydrophobicContact CD1-CZ3 4.18Å; L35-T84 HydrophobicContact CD1-CG2 3.45Å; L35-T84 VanDerWaalsContact CD1-CG2 3.45Å; L35-L86 HydrophobicContact CD1-CD1 4.45Å; L35-L86 HydrophobicContact CD1-CD2 4.47Å; L35-L86 HydrophobicContact CD1-CG 4.24Å; L35-L86 HydrophobicContact CD2-CD1 3.95Å; L35-L86 HydrophobicContact CD2-CD2 4.45Å; L35-L86 HydrophobicContact CD2-CG 4.45Å; L35-L86 HydrophobicContact CG-CD1 4.14Å; L35-L86 HydrophobicContact CG-CG 4.47Å; L35-I93 HydrophobicContact CD1-CD1 3.76Å; L35-I93 HydrophobicContact CD2-CD1 4.43Å
36I97.3Very high90.8Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-132.7140.8172.3-169.1170.3000109V22 F24 G47 Y63 V312 L319 F321V22-I36 HydrophobicContact CG2-CD1 3.63Å; V22-I36 HydrophobicContact CG2-CG1 3.79Å; F24-I36 HydrophobicContact CD1-CB 3.9Å; F24-I36 HydrophobicContact CD1-CD1 4.14Å; F24-I36 HydrophobicContact CD1-CG1 4.07Å; F24-I36 HydrophobicContact CE1-CB 4Å; F24-I36 HydrophobicContact CE1-CD1 3.77Å; F24-I36 HydrophobicContact CE1-CG1 4.16Å; F24-I36 HydrophobicContact CE2-CD1 4.35Å; F24-I36 HydrophobicContact CZ-CD1 3.91Å; I36-G47 PolarHBondContact N-O 3.17Å; I36-G47 PolarHBondContact O-N 3.45Å; I36-Y63 HydrophobicContact CG2-CE2 3.95Å; I36-V312 HydrophobicContact CD1-CG1 4.14Å; I36-V312 HydrophobicContact CD1-CG2 4.18Å; I36-L319 HydrophobicContact CD1-CD1 4.17Å; I36-F321 HydrophobicContact CD1-CE1 3.98Å; I36-F321 HydrophobicContact CD1-CZ 4.22Å
37A97.7Very high91Very high0 Ų028.8 Ų28.80%015%0.152CC..EExtended strand (participates in β ladder)trans-119.1140.7172.900000109.1V22 E23 V45 I46 I78 W80V22-A37 CarbonylContact C-O 3.57Å; V22-A37 VanDerWaalsContact CA-O 3.31Å; V22-A37 WeakPolarHBondContact CA-O 3.09Å; E23-A37 PolarHBondContact N-O 3.3Å; E23-A37 PolarHBondContact O-N 2.98Å; A37-V45 VanDerWaalsContact CA-O 3.31Å; A37-V45 WeakPolarHBondContact CA-O 3.38Å; A37-I46 HydrophobicContact CB-CD1 3.42Å; A37-I46 VanDerWaalsContact CB-CD1 3.42Å; A37-I78 HydrophobicContact CB-CD1 4.03Å; A37-I78 HydrophobicContact CB-CG2 3.95Å; A37-W80 HydrophobicContact CB-CH2 4.18Å; A37-W80 HydrophobicContact CB-CZ2 3.41Å; A37-W80 VanDerWaalsContact CB-CZ2 3.41Å
38Y97.5Very high91.2Very high8 Ų828.4 Ų28.43%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-137.1143.3167.868-91.9000111.9C15 V19 V21 Y43 V44 V45 Y63 L319C15-Y38 HydrophobicContact CB-CE2 4.05Å; V19-Y38 HydrophobicContact CG1-CD2 4.44Å; V19-Y38 HydrophobicContact CG2-CD2 3.84Å; V19-Y38 HydrophobicContact CG2-CE2 4.3Å; V19-Y38 HydrophobicContact CG2-CG 4.43Å; V21-Y38 CarbonylContact O-C 3.57Å; V21-Y38 WeakPolarHBondContact O-CA 3.48Å; V21-Y38 WeakPolarHBondContact O-CB 3.44Å; Y38-Y43 HydrophobicContact CD2-CE2 4.03Å; Y38-Y43 AromaticContact CE2-CE2 3.63Å; Y38-Y43 HydrophobicContact CE2-CE2 3.63Å; Y38-V44 WeakPolarHBondContact O-CA 3.12Å; Y38-V45 HydrophobicContact CD1-CB 4.01Å; Y38-V45 HydrophobicContact CD1-CG1 4.38Å; Y38-V45 HydrophobicContact CD2-CB 4.27Å; Y38-V45 HydrophobicContact CE1-CB 3.51Å; Y38-V45 HydrophobicContact CE1-CG1 3.56Å; Y38-V45 HydrophobicContact CE1-CG2 4.28Å; Y38-V45 HydrophobicContact CE2-CB 3.79Å; Y38-V45 HydrophobicContact CE2-CG2 3.77Å; Y38-V45 HydrophobicContact CG-CB 4.38Å; Y38-V45 PolarHBondContact N-O 2.83Å; Y38-V45 PolarHBondContact O-N 3.12Å; Y38-Y63 WeakPolarHBondContact CE1-OH 3.46Å; Y38-L319 HydrophobicContact CD1-CD1 3.82Å; Y38-L319 HydrophobicContact CD1-CD2 4.39Å; Y38-L319 HydrophobicContact CD1-CG 4.48Å; Y38-L319 HydrophobicContact CE1-CD1 4.1Å; Y38-L319 HydrophobicContact CG-CD2 4.31Å
39G96.9Very high91.8Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-107.3136.2-178.400000110.8H20 V21H20-G39 PolarHBondContact N-O 2.78Å; V21-G39 PolarHBondContact O-N 3.48Å
40G95.2Very high92.6Very high0 Ų019.1 Ų19.10%011%0.109CC..  trans-118.2-156.1177.500000113.3Y18 N42 Y43 V75Y18-G40 WeakPolarHBondContact O-CA 3.37Å; G40-N42 VanDerWaalsContact C-N 3.33Å; G40-N42 PolarHBondContact O-N 3.26Å; G40-Y43 PolarHBondContact N-O 2.87Å; G40-V75 PolarHBondContact O-N 2.92Å; G40-V75 VanDerWaalsContact O-N 3.08Å
41N94.8Very high93.5Very high48 Ų4817.9 Ų17.926%0.25710%0.096SC..SBendtrans-69.9-30.3-177.8-67.9-54.2000113.2D17 H20 V73 R74D17-N41 VanDerWaalsContact CG-ND2 3.33Å; D17-N41 PolarHBondContact OD1-ND2 2.86Å; D17-N41 VanDerWaalsContact OD2-CB 3.28Å; D17-N41 WeakPolarHBondContact OD2-CB 3.44Å; D17-N41 PolarHBondContact OD2-N 2.95Å; D17-N41 PolarHBondContact OD2-ND2 2.96Å; D17-N41 VanDerWaalsContact OD2-ND2 3.09Å; H20-N41 PolarHBondContact NE2-OD1 2.99Å; N41-V73 CarbonylContact O-C 3.58Å; N41-V73 VanDerWaalsContact O-O 3.1Å; N41-R74 WeakPolarHBondContact O-CA 3.34Å; N41-R74 PolarHBondContact O-N 2.97Å
42N95.1Very high94.3Very high76 Ų7615.8 Ų15.841%0.4068%0.082SC..SBendtrans-145.911.4-175.5-69.2-55.8000113.4G40 H71 G72G40-N42 VanDerWaalsContact C-N 3.33Å; G40-N42 PolarHBondContact O-N 3.26Å; N42-H71 PolarHBondContact O-N 2.92Å; N42-G72 PolarHBondContact O-N 2.86Å; N42-G72 VanDerWaalsContact O-N 3.08Å; N42-G72 VanDerWaalsContact OD1-C 3.23Å; N42-G72 PolarHBondContact OD1-O 3.35Å
43Y96.4Very high94.6Very high24 Ų2419.6 Ų19.69%0.09410%0.1CC..EExtended strand (participates in β ladder)trans-143.5163.8-176.662-119.4000112.1D17 Y38 G40 V45 T68 F69 V75D17-Y43 WeakPolarHBondContact CA-OH 3.2Å; D17-Y43 HydrophobicContact CB-CD1 4.3Å; D17-Y43 HydrophobicContact CB-CE1 3.17Å; D17-Y43 VanDerWaalsContact CB-CZ 3.41Å; D17-Y43 WeakPolarHBondContact CB-OH 3.5Å; D17-Y43 PolarHBondContact N-OH 2.74Å; D17-Y43 PolarHBondContact O-OH 3.25Å; Y38-Y43 HydrophobicContact CD2-CE2 4.03Å; Y38-Y43 AromaticContact CE2-CE2 3.63Å; Y38-Y43 HydrophobicContact CE2-CE2 3.63Å; G40-Y43 PolarHBondContact N-O 2.87Å; Y43-V45 HydrophobicContact CD2-CG2 3.6Å; Y43-V45 HydrophobicContact CE2-CG2 3.71Å; Y43-V45 HydrophobicContact CG-CG2 4.39Å; Y43-T68 HydrophobicContact CG-CG2 4.46Å; Y43-F69 CarbonylContact C-O 3.6Å; Y43-F69 WeakPolarHBondContact CA-O 3.33Å; Y43-F69 WeakPolarHBondContact CB-O 3.42Å; Y43-V75 WeakPolarHBondContact O-CG2 3.18Å
44V97.2Very high95Very high0 Ų022.4 Ų22.40%011%0.112CC..EExtended strand (participates in β ladder)trans-123.3131.6159.8-176.60000107.4Y38 I46 F69 V75 I78 F95 T97Y38-V44 WeakPolarHBondContact O-CA 3.12Å; V44-I46 HydrophobicContact CG1-CD1 4.17Å; V44-F69 PolarHBondContact N-O 2.93Å; V44-F69 PolarHBondContact O-N 3.07Å; V44-V75 HydrophobicContact CG2-CG1 4.27Å; V44-V75 HydrophobicContact CG2-CG2 3.71Å; V44-I78 HydrophobicContact CG1-CD1 4.16Å; V44-F95 HydrophobicContact CB-CE2 4.33Å; V44-F95 HydrophobicContact CG1-CE2 3.73Å; V44-F95 HydrophobicContact CG1-CZ 4.02Å; V44-F95 HydrophobicContact CG2-CE2 4.47Å; V44-T97 HydrophobicContact CG2-CG2 3.84Å
45V97.5Very high94.9Very high4 Ų425.4 Ų25.42%0.02413%0.125CC..EExtended strand (participates in β ladder)trans-111.4132.3176.4-179.50000108.7A37 Y38 Y43 T65 T68A37-V45 VanDerWaalsContact CA-O 3.31Å; A37-V45 WeakPolarHBondContact CA-O 3.38Å; Y38-V45 HydrophobicContact CD1-CB 4.01Å; Y38-V45 HydrophobicContact CD1-CG1 4.38Å; Y38-V45 HydrophobicContact CD2-CB 4.27Å; Y38-V45 HydrophobicContact CE1-CB 3.51Å; Y38-V45 HydrophobicContact CE1-CG1 3.56Å; Y38-V45 HydrophobicContact CE1-CG2 4.28Å; Y38-V45 HydrophobicContact CE2-CB 3.79Å; Y38-V45 HydrophobicContact CE2-CG2 3.77Å; Y38-V45 HydrophobicContact CG-CB 4.38Å; Y38-V45 PolarHBondContact N-O 2.83Å; Y38-V45 PolarHBondContact O-N 3.12Å; Y43-V45 HydrophobicContact CD2-CG2 3.6Å; Y43-V45 HydrophobicContact CE2-CG2 3.71Å; Y43-V45 HydrophobicContact CG-CG2 4.39Å; V45-T65 HydrophobicContact CG1-CG2 3.76Å; V45-T68 HydrophobicContact CG2-CG2 3.93Å
46I97.3Very high94.5Very high0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans-109.6128172-54-57.1000107.9L35 A37 V44 L66 R67 F69 W80 I93 F95L35-I46 HydrophobicContact CD2-CG2 4.11Å; A37-I46 HydrophobicContact CB-CD1 3.42Å; A37-I46 VanDerWaalsContact CB-CD1 3.42Å; V44-I46 HydrophobicContact CG1-CD1 4.17Å; I46-L66 PolarHBondContact O-N 2.98Å; I46-R67 PolarHBondContact N-O 3.1Å; I46-R67 PolarHBondContact O-N 2.83Å; I46-F69 HydrophobicContact CG1-CD2 4.16Å; I46-F69 HydrophobicContact CG1-CE2 3.66Å; I46-W80 HydrophobicContact CD1-CH2 3.81Å; I46-W80 HydrophobicContact CD1-CZ2 4.24Å; I46-W80 HydrophobicContact CG2-CH2 3.9Å; I46-I93 HydrophobicContact CG1-CG2 4.43Å; I46-F95 HydrophobicContact CD1-CD1 4.17Å; I46-F95 HydrophobicContact CD1-CE1 3.83Å; I46-F95 HydrophobicContact CD1-CZ 4.04Å; I46-F95 HydrophobicContact CG1-CE1 3.97Å; I46-F95 HydrophobicContact CG1-CZ 4.29Å
47G96.3Very high94.2Very high0 Ų038.2 Ų38.20%021%0.208CC..EExtended strand (participates in β ladder)trans-141.8179177.200000112.2L35 I36 K64L35-G47 WeakPolarHBondContact CA-O 3.45Å; I36-G47 PolarHBondContact N-O 3.17Å; I36-G47 PolarHBondContact O-N 3.45Å; G47-K64 CarbonylContact C-O 3.58Å; G47-K64 WeakPolarHBondContact CA-O 3.44Å
48T95.7Very high93.9Very high24 Ų2439 Ų3915%0.14721%0.213CC..EExtended strand (participates in β ladder)trans-119.7137.3171.853.60000109.5N34 L35 Y63 K64 L66 L86N34-T48 CarbonylContact O-C 3.45Å; N34-T48 VanDerWaalsContact O-CA 3.28Å; N34-T48 WeakPolarHBondContact O-CA 3.4Å; L35-T48 HydrophobicContact CD2-CG2 3.86Å; T48-Y63 WeakPolarHBondContact O-CA 3.24Å; T48-Y63 WeakPolarHBondContact O-CD2 3.42Å; T48-K64 PolarHBondContact N-O 2.85Å; T48-K64 PolarHBondContact O-N 2.81Å; T48-L66 HydrophobicContact CG2-CD1 3.78Å; T48-L66 HydrophobicContact CG2-CD2 4.38Å; T48-L66 HydrophobicContact CG2-CG 4.14Å; T48-L86 HydrophobicContact CG2-CD1 4.26Å
49C94.9Very high93.5Very high0 Ų047.6 Ų47.60%025%0.253CS..EExtended strand (participates in β ladder)trans-112.3128.5168.4-66.60000109.3F24 N34 F51 I61 Q62 Y63F24-C49 HydrophobicContact CE1-CB 4.48Å; N34-C49 VanDerWaalsContact CB-O 3.23Å; N34-C49 WeakPolarHBondContact CB-O 3.38Å; N34-C49 PolarHBondContact O-N 3.27Å; C49-F51 HydrophobicContact CB-CD2 4.48Å; C49-F51 HydrophobicContact CB-CE2 3.64Å; C49-F51 HydrophobicContact CB-CZ 3.65Å; C49-I61 HydrophobicContact CB-CD1 4.29Å; C49-Q62 CarbonylContact C-O 3.58Å; C49-Q62 WeakPolarHBondContact CA-O 3.49Å; C49-Y63 VanDerWaalsContact SG-CD2 3.59Å
50T94.3Very high93.3Very high19 Ų1948.3 Ų48.312%0.11726%0.26CS..EExtended strand (participates in β ladder)trans-119.1130.2167.9-51.40000108E55 V58 Q62T50-E55 HydrophobicContact CG2-CB 4.21Å; T50-E55 HydrophobicContact CG2-CG 3.92Å; T50-V58 HydrophobicContact CG2-CG2 4.05Å; T50-Q62 PolarHBondContact N-O 2.91Å; T50-Q62 PolarHBondContact O-N 2.9Å
51F94Very high93.3Very high0 Ų050.3 Ų50.30%027%0.27CS..EExtended strand (participates in β ladder)trans-107.5150.6-174.9-57.5-88.1000110.6Y11 F24 C49 E53 E54 E55 I61 H305 L308 L310 F321Y11-F51 AromaticContact CD2-CD1 3.63Å; Y11-F51 HydrophobicContact CD2-CD1 3.63Å; Y11-F51 AromaticContact CD2-CE1 3.87Å; Y11-F51 HydrophobicContact CD2-CE1 3.87Å; Y11-F51 AromaticContact CE2-CD1 3.76Å; Y11-F51 HydrophobicContact CE2-CD1 3.76Å; Y11-F51 HydrophobicContact CE2-CE1 4.41Å; Y11-F51 HydrophobicContact CG-CD1 4.46Å; F24-F51 HydrophobicContact CE1-CE2 4.47Å; F24-F51 HydrophobicContact CZ-CE2 4.34Å; F24-F51 HydrophobicContact CZ-CZ 4.1Å; C49-F51 HydrophobicContact CB-CD2 4.48Å; C49-F51 HydrophobicContact CB-CE2 3.64Å; C49-F51 HydrophobicContact CB-CZ 3.65Å; F51-E53 WeakPolarHBondContact CB-OE2 3.19Å; F51-E53 PolarHBondContact O-N 3.41Å; F51-E53 VanDerWaalsContact O-N 3.12Å; F51-E54 PolarHBondContact O-N 2.8Å; F51-E55 PolarHBondContact O-N 2.89Å; F51-I61 HydrophobicContact CD1-CB 4.32Å; F51-I61 HydrophobicContact CD1-CD1 3.99Å; F51-I61 HydrophobicContact CD1-CG1 3.89Å; F51-I61 HydrophobicContact CE1-CD1 3.4Å; F51-I61 HydrophobicContact CE1-CG1 3.82Å; F51-I61 HydrophobicContact CZ-CD1 4Å; F51-H305 AromaticContact CE2-CD2 3.73Å; F51-H305 AromaticContact CE2-NE2 3.96Å; F51-L308 HydrophobicContact CB-CD1 4.05Å; F51-L308 HydrophobicContact CD2-CD1 3.74Å; F51-L308 HydrophobicContact CG-CD1 4.09Å; F51-L310 HydrophobicContact CD1-CD1 3.51Å; F51-L310 HydrophobicContact CD2-CD1 4.15Å; F51-L310 HydrophobicContact CE1-CD1 3.43Å; F51-L310 VanDerWaalsContact CE1-CD1 3.43Å; F51-L310 HydrophobicContact CE1-CD2 4.15Å; F51-L310 HydrophobicContact CE1-CG 4.47Å; F51-L310 HydrophobicContact CE2-CD1 4.1Å; F51-L310 HydrophobicContact CE2-CD2 4.42Å; F51-L310 HydrophobicContact CG-CD1 3.88Å; F51-L310 HydrophobicContact CZ-CD1 3.74Å; F51-L310 HydrophobicContact CZ-CD2 3.85Å; F51-F321 HydrophobicContact CE1-CB 4.46Å; F51-F321 AromaticContact CE1-CD1 4Å; F51-F321 HydrophobicContact CE1-CD1 4Å; F51-F321 HydrophobicContact CE1-CE1 4.39Å; F51-F321 HydrophobicContact CE1-CG 4.11Å; F51-F321 AromaticContact CZ-CD1 3.85Å; F51-F321 HydrophobicContact CZ-CD1 3.85Å; F51-F321 AromaticContact CZ-CE1 3.97Å; F51-F321 HydrophobicContact CZ-CE1 3.97Å; F51-F321 HydrophobicContact CZ-CG 4.43Å
52Q93Very high93.3Very high89 Ų8953.5 Ų53.542%0.41628%0.284SS..THydrogen-bonded Turntrans-57.5-24.1175.164.8178.612.500113.4Y11 E54 V58 G60Y11-Q52 VanDerWaalsContact OH-CG 3.29Å; Y11-Q52 WeakPolarHBondContact OH-CG 3.44Å; Y11-Q52 PolarHBondContact OH-NE2 3.24Å; Q52-E54 PolarHBondContact O-N 3.29Å; Q52-V58 WeakPolarHBondContact CA-O 3.41Å; Q52-V58 WeakPolarHBondContact CB-O 3.18Å; Q52-G60 PolarHBondContact N-O 3.17Å
53E89.3Confident93.3Very high81 Ų8152.3 Ų52.338%0.37927%0.274SS..THydrogen-bonded Turntrans-68.9-19.9174.1-67.484.3172.700113.3Y11 F51 L308Y11-E53 PolarHBondContact OH-OE1 2.99Å; Y11-E53 PolarHBondContact OH-OE2 2.81Å; F51-E53 WeakPolarHBondContact CB-OE2 3.19Å; F51-E53 PolarHBondContact O-N 3.41Å; F51-E53 VanDerWaalsContact O-N 3.12Å; E53-L308 HydrophobicContact CB-CD1 4.44Å; E53-L308 HydrophobicContact CB-CD2 4.1Å
54E87.4Confident93.3Very high62 Ų6257.3 Ų57.329%0.2930%0.296SS..THydrogen-bonded Turntrans-98.9-43.9179.3-64.4-179.4116.200112F51 Q52 H305 L308F51-E54 PolarHBondContact O-N 2.8Å; Q52-E54 PolarHBondContact O-N 3.29Å; E54-H305 IonicContact OE1-CE1 3.17Å; E54-H305 PolarHBondContact OE1-CE1 2.86Å; E54-H305 IonicContact OE1-NE2 2.88Å; E54-H305 IonicContact OE2-CE1 3.96Å; E54-L308 HydrophobicContact CG-CD1 3.69Å; E54-L308 HydrophobicContact CG-CD2 3.82Å; E54-L308 HydrophobicContact CG-CG 3.96Å
55E88.9Confident93.3Very high99 Ų9960.5 Ų60.546%0.46332%0.316SS..  trans-125116.4-175.8-67.6-171.9-169.600110.5T50 F51 D57 V58T50-E55 HydrophobicContact CG2-CB 4.21Å; T50-E55 HydrophobicContact CG2-CG 3.92Å; F51-E55 PolarHBondContact O-N 2.89Å; E55-D57 PolarHBondContact O-N 2.93Å; E55-D57 VanDerWaalsContact O-N 3.11Å; E55-V58 HydrophobicContact CB-CB 4.41Å; E55-V58 HydrophobicContact CB-CG2 3.86Å; E55-V58 WeakPolarHBondContact O-CB 3.32Å; E55-V58 PolarHBondContact O-N 3.37Å
56A87.8Confident93.2Very high103 Ų10362.7 Ų62.785%0.85133%0.327SS*.THydrogen-bonded Turntrans-62.7-20.7-17600000114.2V58A56-V58 VanDerWaalsContact C-N 3.35Å
57D91.5Very high93.1Very high166 Ų16666.9 Ų66.989%0.88834%0.343SS*.THydrogen-bonded Turntrans-85.8-6.9178.6-67-25.8000112.9E55E55-D57 PolarHBondContact O-N 2.93Å; E55-D57 VanDerWaalsContact O-N 3.11Å
58V90Very high93.1Very high17 Ų1769.6 Ų69.610%0.10336%0.36CS..  trans-92123.9175.5175.80000109.3T50 Q52 E55 A56 Q62T50-V58 HydrophobicContact CG2-CG2 4.05Å; Q52-V58 WeakPolarHBondContact CA-O 3.41Å; Q52-V58 WeakPolarHBondContact CB-O 3.18Å; E55-V58 HydrophobicContact CB-CB 4.41Å; E55-V58 HydrophobicContact CB-CG2 3.86Å; E55-V58 WeakPolarHBondContact O-CB 3.32Å; E55-V58 PolarHBondContact O-N 3.37Å; A56-V58 VanDerWaalsContact C-N 3.35Å; V58-Q62 HydrophobicContact CG1-CB 4.14Å
59E89.9Confident93.1Very high188 Ų18869 Ų6988%0.87936%0.355SS*.  trans-92.8111.4171.1-168.2178.1-179.900109.6I61E59-I61 PolarHBondContact O-N 3.27Å
60G92.9Very high93.1Very high15 Ų1576.1 Ų76.116%0.15539%0.388CS..SBendtrans76.3-114.3-177.200000114.2Q52Q52-G60 PolarHBondContact N-O 3.17Å
61I94.5Very high93.2Very high41 Ų4175.7 Ų75.721%0.2139%0.385CS..EExtended strand (participates in β ladder)trans-127133.7179-170178.6000110.4Y11 V13 C49 F51 E59 F321Y11-I61 HydrophobicContact CD1-CB 4.12Å; Y11-I61 HydrophobicContact CD1-CG2 4.29Å; Y11-I61 HydrophobicContact CG-CB 4.01Å; Y11-I61 HydrophobicContact CG-CG2 4.25Å; V13-I61 HydrophobicContact CG2-CD1 3.92Å; C49-I61 HydrophobicContact CB-CD1 4.29Å; F51-I61 HydrophobicContact CD1-CB 4.32Å; F51-I61 HydrophobicContact CD1-CD1 3.99Å; F51-I61 HydrophobicContact CD1-CG1 3.89Å; F51-I61 HydrophobicContact CE1-CD1 3.4Å; F51-I61 HydrophobicContact CE1-CG1 3.82Å; F51-I61 HydrophobicContact CZ-CD1 4Å; E59-I61 PolarHBondContact O-N 3.27Å; I61-F321 HydrophobicContact CD1-CD2 3.95Å; I61-F321 HydrophobicContact CD1-CE2 3.68Å; I61-F321 HydrophobicContact CD1-CZ 4.02Å
62Q95.3Very high93.2Very high115 Ų11577.4 Ų77.454%0.53740%0.402SS..EExtended strand (participates in β ladder)trans-105.5111.9166.6-172.2175.96.400109.4C49 T50 V58C49-Q62 CarbonylContact C-O 3.58Å; C49-Q62 WeakPolarHBondContact CA-O 3.49Å; T50-Q62 PolarHBondContact N-O 2.91Å; T50-Q62 PolarHBondContact O-N 2.9Å; V58-Q62 HydrophobicContact CG1-CB 4.14Å
63Y95.7Very high93.4Very high51 Ų5175 Ų7520%0.239%0.393CS..EExtended strand (participates in β ladder)trans-107.3134.8174.2178-101.2000111.1V13 I36 Y38 T48 C49 T65V13-Y63 HydrophobicContact CB-CG 4.49Å; V13-Y63 HydrophobicContact CG1-CD1 3.46Å; V13-Y63 VanDerWaalsContact CG1-CD1 3.46Å; V13-Y63 HydrophobicContact CG1-CD2 4.23Å; V13-Y63 HydrophobicContact CG1-CE1 3.91Å; V13-Y63 HydrophobicContact CG1-CG 3.64Å; V13-Y63 HydrophobicContact CG2-CD2 4.48Å; V13-Y63 HydrophobicContact CG2-CG 4.03Å; I36-Y63 HydrophobicContact CG2-CE2 3.95Å; Y38-Y63 WeakPolarHBondContact CE1-OH 3.46Å; T48-Y63 WeakPolarHBondContact O-CA 3.24Å; T48-Y63 WeakPolarHBondContact O-CD2 3.42Å; C49-Y63 VanDerWaalsContact SG-CD2 3.59Å; Y63-T65 WeakPolarHBondContact CE1-OG1 3.48Å; Y63-T65 PolarHBondContact OH-OG1 3.07Å
64K95.6Very high93.8Very high129 Ų12975.6 Ų75.656%0.56139%0.392SS*.EExtended strand (participates in β ladder)trans-134.3120.3174.6-179.5-175.7176.7-174.80110.2G47 T48 L66G47-K64 CarbonylContact C-O 3.58Å; G47-K64 WeakPolarHBondContact CA-O 3.44Å; T48-K64 PolarHBondContact N-O 2.85Å; T48-K64 PolarHBondContact O-N 2.81Å; K64-L66 HydrophobicContact CD-CD2 4.31Å; K64-L66 PolarHBondContact O-N 2.9Å
65T96.5Very high94.2Very high68 Ų6872.7 Ų72.742%0.41738%0.379SS..EExtended strand (participates in β ladder)trans-68123.2167.4-61.20000109.5V45 Y63V45-T65 HydrophobicContact CG1-CG2 3.76Å; Y63-T65 WeakPolarHBondContact CE1-OG1 3.48Å; Y63-T65 PolarHBondContact OH-OG1 3.07Å
66L95.2Very high94.6Very high49 Ų4970.4 Ų70.426%0.25737%0.37SS..EExtended strand (participates in β ladder)trans-88.6-45.9173.3-63.7-176000110.7L35 I46 T48 K64 L86 L111L35-L66 HydrophobicContact CD2-CD1 3.62Å; I46-L66 PolarHBondContact O-N 2.98Å; T48-L66 HydrophobicContact CG2-CD1 3.78Å; T48-L66 HydrophobicContact CG2-CD2 4.38Å; T48-L66 HydrophobicContact CG2-CG 4.14Å; K64-L66 HydrophobicContact CD-CD2 4.31Å; K64-L66 PolarHBondContact O-N 2.9Å; L66-L86 HydrophobicContact CD1-CD1 4.35Å; L66-L86 HydrophobicContact CD1-CD2 4.24Å; L66-L111 HydrophobicContact CB-CD1 4.46Å; L66-L111 HydrophobicContact CB-CD2 4.19Å; L66-L111 HydrophobicContact CD1-CD1 4.09Å
67R95.5Very high95Very high89 Ų8966.1 Ų66.134%0.33634%0.335SS..EExtended strand (participates in β ladder)trans-158.4140.9-177.4-172.565.1-146.7-123.75.8112.8I46 F69 L111 N115I46-R67 PolarHBondContact N-O 3.1Å; I46-R67 PolarHBondContact O-N 2.83Å; R67-F69 HydrophobicContact CB-CE2 3.92Å; R67-F69 HydrophobicContact CB-CZ 4.19Å; R67-F69 HydrophobicContact CG-CD2 4.13Å; R67-F69 HydrophobicContact CG-CE1 4.08Å; R67-F69 HydrophobicContact CG-CE2 3.58Å; R67-F69 HydrophobicContact CG-CZ 3.55Å; R67-L111 HydrophobicContact CB-CD2 3.83Å; R67-N115 VanDerWaalsContact NH1-CG 3.27Å; R67-N115 PolarHBondContact NH1-ND2 3.05Å; R67-N115 PolarHBondContact NH1-OD1 2.83Å
68T96.1Very high95.4Very high57 Ų5758.6 Ų58.635%0.3530%0.295SS..EExtended strand (participates in β ladder)trans-108.4128.5166.7-54.70000109.8Y43 V45Y43-T68 HydrophobicContact CG-CG2 4.46Å; V45-T68 HydrophobicContact CG2-CG2 3.93Å
69F96.2Very high95.7Very high10 Ų1058.3 Ų58.34%0.04429%0.294CS..EExtended strand (participates in β ladder)trans-104.9125.8175.5-61.6-90.2000109.2Y43 V44 I46 R67 H71 F95 F107 N115Y43-F69 CarbonylContact C-O 3.6Å; Y43-F69 WeakPolarHBondContact CA-O 3.33Å; Y43-F69 WeakPolarHBondContact CB-O 3.42Å; V44-F69 PolarHBondContact N-O 2.93Å; V44-F69 PolarHBondContact O-N 3.07Å; I46-F69 HydrophobicContact CG1-CD2 4.16Å; I46-F69 HydrophobicContact CG1-CE2 3.66Å; R67-F69 HydrophobicContact CB-CE2 3.92Å; R67-F69 HydrophobicContact CB-CZ 4.19Å; R67-F69 HydrophobicContact CG-CD2 4.13Å; R67-F69 HydrophobicContact CG-CE1 4.08Å; R67-F69 HydrophobicContact CG-CE2 3.58Å; R67-F69 HydrophobicContact CG-CZ 3.55Å; F69-H71 PolarHBondContact O-N 3.42Å; F69-F95 HydrophobicContact CD2-CE1 4.38Å; F69-F95 AromaticContact CD2-CZ 3.97Å; F69-F95 HydrophobicContact CD2-CZ 3.97Å; F69-F95 AromaticContact CE2-CE1 4Å; F69-F95 HydrophobicContact CE2-CE1 4Å; F69-F95 HydrophobicContact CE2-CZ 4.06Å; F69-F95 HydrophobicContact CG-CZ 4.48Å; F69-F95 HydrophobicContact CZ-CE1 4.36Å; F69-F107 HydrophobicContact CB-CD1 4.42Å; F69-F107 HydrophobicContact CB-CE1 4.09Å; F69-F107 AromaticContact CD1-CD1 3.92Å; F69-F107 HydrophobicContact CD1-CD1 3.92Å; F69-F107 HydrophobicContact CD1-CE1 4.3Å; F69-F107 HydrophobicContact CG-CD1 4.23Å; F69-F107 HydrophobicContact CG-CE1 4.39Å; F69-N115 HydrophobicContact CE1-CB 4.12Å
70H95.3Very high96.1Very high151 Ų15149.7 Ų49.770%0.69925%0.254SS*.EExtended strand (participates in β ladder)trans-72.4121.9169.6-174.870.6000109.2
71H95.6Very high96.3Very high10 Ų1049 Ų495%0.04625%0.246CC..  trans-103.2-36.7-177.8-163.3-65.2000111.5N42 F69 V73 V75 T97 A99 R105 F107N42-H71 PolarHBondContact O-N 2.92Å; F69-H71 PolarHBondContact O-N 3.42Å; H71-V73 VanDerWaalsContact CE1-CG2 3.48Å; H71-V73 WeakPolarHBondContact CE1-CG2 3.43Å; H71-V73 WeakPolarHBondContact ND1-CG2 3.23Å; H71-V73 PolarHBondContact ND1-O 3.46Å; H71-V73 PolarHBondContact O-N 3.28Å; H71-V75 HydrophobicContact CB-CG2 4.17Å; H71-T97 PolarHBondContact NE2-OG1 2.81Å; H71-A99 WeakPolarHBondContact CE1-CB 3.41Å; H71-R105 VanDerWaalsContact CE1-CD 3.47Å; H71-R105 WeakPolarHBondContact CE1-CD 3.33Å; H71-R105 PolarHBondContact CE1-NH1 3.23Å; H71-F107 AromaticContact CD2-CE2 3.99Å; H71-F107 AromaticContact CD2-CZ 3.84Å
72G95.6Very high96.3Very high36 Ų3647.3 Ų47.337%0.37124%0.238SC..SBendtrans79.8-3.6175.700000115.3N42N42-G72 PolarHBondContact O-N 2.86Å; N42-G72 VanDerWaalsContact O-N 3.08Å; N42-G72 VanDerWaalsContact OD1-C 3.23Å; N42-G72 PolarHBondContact OD1-O 3.35Å
73V96.6Very high96.2Very high37 Ų3744.6 Ų44.622%0.22423%0.225CC..SBendtrans-144.4162.5172.7-680000109.8N41 H71 V75 A99 D101N41-V73 CarbonylContact O-C 3.58Å; N41-V73 VanDerWaalsContact O-O 3.1Å; H71-V73 VanDerWaalsContact CE1-CG2 3.48Å; H71-V73 WeakPolarHBondContact CE1-CG2 3.43Å; H71-V73 WeakPolarHBondContact ND1-CG2 3.23Å; H71-V73 PolarHBondContact ND1-O 3.46Å; H71-V73 PolarHBondContact O-N 3.28Å; V73-V75 PolarHBondContact O-N 2.91Å; V73-A99 HydrophobicContact CG2-CB 3.62Å; V73-D101 HydrophobicContact CG1-CB 4.4Å
74R96.8Very high96.2Very high95 Ų9542.2 Ų42.236%0.35822%0.216SC..  trans-65129.8-179.7-172.2-170.374.8-139.7-3.5110.2N41 D76 A99 A100N41-R74 WeakPolarHBondContact O-CA 3.34Å; N41-R74 PolarHBondContact O-N 2.97Å; R74-D76 IonicContact CZ-OD1 3.75Å; R74-D76 IonicContact CZ-OD2 3.42Å; R74-D76 IonicContact NE-OD1 3.93Å; R74-D76 PolarHBondContact NE-OD1 2.96Å; R74-D76 IonicContact NE-OD2 3.74Å; R74-D76 VanDerWaalsContact NH2-CG 3.35Å; R74-D76 IonicContact NH2-OD1 3.66Å; R74-D76 PolarHBondContact NH2-OD1 2.89Å; R74-D76 IonicContact NH2-OD2 2.68Å; R74-D76 PolarHBondContact NH2-OD2 3.49Å; R74-D76 VanDerWaalsContact NH2-OD2 3.07Å; R74-A99 CarbonylContact O-C 3.53Å; R74-A99 WeakPolarHBondContact O-CA 3.23Å; R74-A99 VanDerWaalsContact O-CB 3.24Å; R74-A99 WeakPolarHBondContact O-CB 3.34Å; R74-A100 HydrophobicContact CB-CB 4.11Å; R74-A100 PolarHBondContact O-N 3.2Å
75V97.4Very high96.1Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-88.9125.6178.3-174.10000109.5H20 V21 G40 Y43 V44 H71 V73 I78 T97H20-V75 WeakPolarHBondContact CB-O 3.49Å; V21-V75 HydrophobicContact CG1-CB 4.42Å; V21-V75 HydrophobicContact CG1-CG1 3.85Å; G40-V75 PolarHBondContact O-N 2.92Å; G40-V75 VanDerWaalsContact O-N 3.08Å; Y43-V75 WeakPolarHBondContact O-CG2 3.18Å; V44-V75 HydrophobicContact CG2-CG1 4.27Å; V44-V75 HydrophobicContact CG2-CG2 3.71Å; H71-V75 HydrophobicContact CB-CG2 4.17Å; V73-V75 PolarHBondContact O-N 2.91Å; V75-I78 HydrophobicContact CG1-CG1 4.08Å; V75-T97 HydrophobicContact CG1-CG2 4.13Å
76D96.4Very high95.9Very high52 Ų5239.5 Ų39.528%0.27820%0.198SC..EExtended strand (participates in β ladder)trans-108.7-23.7-175.2-67.9-38.7000112.6R74 S98 A100R74-D76 IonicContact CZ-OD1 3.75Å; R74-D76 IonicContact CZ-OD2 3.42Å; R74-D76 IonicContact NE-OD1 3.93Å; R74-D76 PolarHBondContact NE-OD1 2.96Å; R74-D76 IonicContact NE-OD2 3.74Å; R74-D76 VanDerWaalsContact NH2-CG 3.35Å; R74-D76 IonicContact NH2-OD1 3.66Å; R74-D76 PolarHBondContact NH2-OD1 2.89Å; R74-D76 IonicContact NH2-OD2 2.68Å; R74-D76 PolarHBondContact NH2-OD2 3.49Å; R74-D76 VanDerWaalsContact NH2-OD2 3.07Å; D76-S98 PolarHBondContact N-O 2.94Å; D76-A100 WeakPolarHBondContact OD2-CA 3.24Å; D76-A100 PolarHBondContact OD2-N 2.62Å
77G97.4Very high95.7Very high12 Ų1241.2 Ų41.212%0.12421%0.207CC..EExtended strand (participates in β ladder)trans-147.8150.318000000111.9T97 S98G77-T97 CarbonylContact O-C 3.47Å; G77-T97 WeakPolarHBondContact O-CA 3.34Å; G77-T97 WeakPolarHBondContact O-CB 3.44Å; G77-S98 VanDerWaalsContact CA-OG 3.28Å; G77-S98 WeakPolarHBondContact CA-OG 3.49Å; G77-S98 PolarHBondContact N-O 2.92Å; G77-S98 PolarHBondContact N-OG 3.45Å; G77-S98 VanDerWaalsContact N-OG 3.15Å; G77-S98 PolarHBondContact O-N 2.98Å
78I98.3Very high95.4Very high9 Ų938.5 Ų38.55%0.04620%0.202CC..EExtended strand (participates in β ladder)trans-134.3138.6174.5-64.6175.3000107.9V21 E23 A37 V44 V75 C96 T97V21-I78 HydrophobicContact CG1-CD1 3.76Å; V21-I78 HydrophobicContact CG1-CG1 3.76Å; V21-I78 HydrophobicContact CG2-CB 4.47Å; V21-I78 HydrophobicContact CG2-CG1 4.38Å; E23-I78 HydrophobicContact CB-CB 4.45Å; E23-I78 HydrophobicContact CB-CG2 4.34Å; E23-I78 HydrophobicContact CG-CB 4.29Å; A37-I78 HydrophobicContact CB-CD1 4.03Å; A37-I78 HydrophobicContact CB-CG2 3.95Å; V44-I78 HydrophobicContact CG1-CD1 4.16Å; V75-I78 HydrophobicContact CG1-CG1 4.08Å; I78-C96 CarbonylContact C-O 3.55Å; I78-C96 WeakPolarHBondContact CA-O 3.48Å; I78-T97 HydrophobicContact CG1-CG2 4.1Å
79A98.1Very high95.1Very high10 Ų1044.1 Ų44.18%0.08323%0.229CC..EExtended strand (participates in β ladder)trans-136.7129.316800000110.7F95 C96 L130 F132A79-F95 CarbonylContact O-C 3.56Å; A79-F95 VanDerWaalsContact O-CA 3.23Å; A79-F95 WeakPolarHBondContact O-CA 3.26Å; A79-F95 VanDerWaalsContact O-CB 3.31Å; A79-F95 WeakPolarHBondContact O-CB 3.45Å; A79-C96 PolarHBondContact N-O 3.42Å; A79-C96 PolarHBondContact O-N 2.88Å; A79-L130 HydrophobicContact CB-CG 4.19Å; A79-L130 WeakPolarHBondContact CB-O 3.37Å; A79-F132 HydrophobicContact CB-CD2 4.17Å
80W97.7Very high95Very high8 Ų846.7 Ų46.73%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-75.5145.5175.9-72102.3000111.2E23 F24 N25 F27 L35 A37 I46 T84 I93 F95 F132E23-W80 PolarHBondContact O-NE1 3.5Å; F24-W80 VanDerWaalsContact O-CD1 3.25Å; F24-W80 PolarHBondContact O-NE1 3.4Å; N25-W80 HydrophobicContact CB-CD2 4.01Å; N25-W80 HydrophobicContact CB-CG 4.14Å; N25-W80 HydrophobicContact CB-CZ2 4.39Å; F27-W80 HydrophobicContact CD2-CB 4.18Å; F27-W80 HydrophobicContact CE2-CB 3.96Å; F27-W80 WeakPolarHBondContact CE2-O 3.37Å; L35-W80 HydrophobicContact CB-CH2 4Å; L35-W80 HydrophobicContact CB-CZ2 4.13Å; L35-W80 HydrophobicContact CD1-CH2 4.14Å; L35-W80 HydrophobicContact CD1-CZ3 4.18Å; A37-W80 HydrophobicContact CB-CH2 4.18Å; A37-W80 HydrophobicContact CB-CZ2 3.41Å; A37-W80 VanDerWaalsContact CB-CZ2 3.41Å; I46-W80 HydrophobicContact CD1-CH2 3.81Å; I46-W80 HydrophobicContact CD1-CZ2 4.24Å; I46-W80 HydrophobicContact CG2-CH2 3.9Å; W80-T84 HydrophobicContact CE3-CG2 4.05Å; W80-T84 HydrophobicContact CZ3-CG2 3.85Å; W80-I93 HydrophobicContact CZ3-CG2 4.26Å; W80-F95 HydrophobicContact CD2-CB 4.49Å; W80-F95 HydrophobicContact CE3-CB 4.07Å; W80-F132 WeakPolarHBondContact O-CB 3.26Å; W80-F132 WeakPolarHBondContact O-CD2 3.22Å; W80-F132 WeakPolarHBondContact O-CG 3.46Å
81S96.7Very high94.9Very high0 Ų040.5 Ų40.50%022%0.22CC..  trans-89.7140.8166.2178.90000109.9E83 T84 K94S81-E83 PolarHBondContact O-N 3.47Å; S81-E83 VanDerWaalsContact O-N 3.14Å; S81-E83 PolarHBondContact OG-N 3.2Å; S81-T84 WeakPolarHBondContact O-CB 3.37Å; S81-T84 PolarHBondContact O-N 2.72Å; S81-T84 PolarHBondContact O-OG1 3.32Å; S81-K94 WeakPolarHBondContact CB-O 3.37Å; S81-K94 PolarHBondContact N-O 2.82Å
82P94.4Very high94.9Very high5 Ų542.2 Ų42.23%0.03223%0.231CC..THydrogen-bonded Turntrans-62.7-16.7172.328.6-36.4000112.5F27 N29 T84 D133F27-P82 HydrophobicContact CD1-CB 3.78Å; F27-P82 HydrophobicContact CD2-CB 4.16Å; F27-P82 HydrophobicContact CE1-CB 3.88Å; F27-P82 HydrophobicContact CE2-CB 4.27Å; F27-P82 HydrophobicContact CG-CB 3.93Å; F27-P82 HydrophobicContact CZ-CB 4.13Å; F27-P82 HydrophobicContact CZ-CG 4.46Å; N29-P82 PolarHBondContact ND2-O 3.12Å; P82-T84 PolarHBondContact O-N 2.85Å; P82-D133 WeakPolarHBondContact CG-O 3.36Å
83E93.8Very high94.9Very high59 Ų5940.5 Ų40.528%0.27621%0.213SC..THydrogen-bonded Turntrans-70.7-11.5174.7-64.2-173.9-179.700113.7S81 R85 K94 Q138S81-E83 PolarHBondContact O-N 3.47Å; S81-E83 VanDerWaalsContact O-N 3.14Å; S81-E83 PolarHBondContact OG-N 3.2Å; E83-R85 PolarHBondContact O-N 3.38Å; E83-K94 WeakPolarHBondContact OE2-CE 3.41Å; E83-K94 IonicContact OE2-NZ 3.21Å; E83-K94 PolarHBondContact OE2-NZ 3.33Å; E83-Q138 PolarHBondContact OE1-NE2 2.95Å
84T95.1Very high94.9Very high0 Ų040.1 Ų40.10%021%0.209CC..  trans-63.5126.5178.3-66.20000111.4L35 W80 S81 P82 V92 I93 K94L35-T84 HydrophobicContact CD1-CG2 3.45Å; L35-T84 VanDerWaalsContact CD1-CG2 3.45Å; W80-T84 HydrophobicContact CE3-CG2 4.05Å; W80-T84 HydrophobicContact CZ3-CG2 3.85Å; S81-T84 WeakPolarHBondContact O-CB 3.37Å; S81-T84 PolarHBondContact O-N 2.72Å; S81-T84 PolarHBondContact O-OG1 3.32Å; P82-T84 PolarHBondContact O-N 2.85Å; T84-V92 CarbonylContact C-O 3.49Å; T84-V92 VanDerWaalsContact CA-O 3.23Å; T84-V92 WeakPolarHBondContact CA-O 3.49Å; T84-I93 HydrophobicContact CG2-CD1 3.83Å; T84-K94 PolarHBondContact OG1-N 3.46Å; T84-K94 PolarHBondContact OG1-O 3.11Å
85R92.9Very high94.9Very high93 Ų9335.6 Ų35.635%0.35119%0.191SC..BIsolated β-bridgetrans-157.4143.7176.564.2-178.457.7-164.1-8.6112E83 D87 V92E83-R85 PolarHBondContact O-N 3.38Å; R85-D87 WeakPolarHBondContact CB-OD1 3.23Å; R85-V92 HydrophobicContact CG-CB 4.46Å; R85-V92 PolarHBondContact N-O 2.96Å; R85-V92 PolarHBondContact O-N 2.75Å
86L92.1Very high95Very high47 Ų4735.6 Ų35.625%0.24619%0.191CC..SBendtrans-99.4-14.3179.8-66.9-176.3000113.7L35 T48 L66 P91 I93 L111L35-L86 HydrophobicContact CD1-CD1 4.45Å; L35-L86 HydrophobicContact CD1-CD2 4.47Å; L35-L86 HydrophobicContact CD1-CG 4.24Å; L35-L86 HydrophobicContact CD2-CD1 3.95Å; L35-L86 HydrophobicContact CD2-CD2 4.45Å; L35-L86 HydrophobicContact CD2-CG 4.45Å; L35-L86 HydrophobicContact CG-CD1 4.14Å; L35-L86 HydrophobicContact CG-CG 4.47Å; T48-L86 HydrophobicContact CG2-CD1 4.26Å; L66-L86 HydrophobicContact CD1-CD1 4.35Å; L66-L86 HydrophobicContact CD1-CD2 4.24Å; L86-P91 HydrophobicContact CD2-CB 4.19Å; L86-I93 HydrophobicContact CD2-CD1 3.74Å; L86-L111 HydrophobicContact CD2-CD1 3.94Å
87D90.9Very high95.1Very high86 Ų8633.1 Ų33.146%0.4618%0.178SC..SBendtrans-84.4-7.4-175.464.3-17.3000113.6G30 R85G30-D87 VanDerWaalsContact CA-OD2 3.22Å; G30-D87 WeakPolarHBondContact CA-OD2 3.34Å; R85-D87 WeakPolarHBondContact CB-OD1 3.23Å
88S90.4Very high95.1Very high31 Ų3132.7 Ų32.722%0.21717%0.173CC..SBendtrans-82.2157.4173.564.40000112.1P90 P91S88-P90 CarbonylContact C-O 3.58Å; S88-P90 WeakPolarHBondContact CB-O 3.36Å; S88-P90 CarbonylContact O-C 3.58Å; S88-P90 PolarHBondContact OG-O 3.42Å; S88-P91 WeakPolarHBondContact O-CA 3.42Å; S88-P91 WeakPolarHBondContact OG-CA 3.38Å
89L90.6Very high95.1Very high176 Ų17632.2 Ų32.292%0.92117%0.171SC*.SBendtrans-120.8102.4175.3-67.2173.4000109.7
90P92.8Very high95.1Very high63 Ų6333.4 Ų33.441%0.40918%0.181SC..SBendcis-74.3163.1-0.233.9-36.7000113S88 D110S88-P90 CarbonylContact C-O 3.58Å; S88-P90 WeakPolarHBondContact CB-O 3.36Å; S88-P90 CarbonylContact O-C 3.58Å; S88-P90 PolarHBondContact OG-O 3.42Å; P90-D110 HydrophobicContact CB-CB 3.95Å; P90-D110 HydrophobicContact CG-CB 4.09Å
91P93.9Very high95.1Very high21 Ų2135.4 Ų35.414%0.13619%0.192CC..  trans-61.5156.3172.427-34.4000109.9L86 S88 D110 L111L86-P91 HydrophobicContact CD2-CB 4.19Å; S88-P91 WeakPolarHBondContact O-CA 3.42Å; S88-P91 WeakPolarHBondContact OG-CA 3.38Å; P91-D110 WeakPolarHBondContact CG-O 2.99Å; P91-D110 VanDerWaalsContact O-CA 3.29Å; P91-D110 WeakPolarHBondContact O-CA 3.31Å; P91-L111 HydrophobicContact CB-CD1 4.29Å; P91-L111 HydrophobicContact CG-CB 4.11Å; P91-L111 HydrophobicContact CG-CD1 3.93Å; P91-L111 HydrophobicContact CG-CG 4.19Å
92V94.6Very high95.1Very high47 Ų4738.2 Ų38.229%0.28521%0.206SC..BIsolated β-bridgetrans-121.6114176.9179.70000108.5T84 R85T84-V92 CarbonylContact C-O 3.49Å; T84-V92 VanDerWaalsContact CA-O 3.23Å; T84-V92 WeakPolarHBondContact CA-O 3.49Å; R85-V92 HydrophobicContact CG-CB 4.46Å; R85-V92 PolarHBondContact N-O 2.96Å; R85-V92 PolarHBondContact O-N 2.75Å
93I95.8Very high95.3Very high0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-105.2117.9169.1-62.5-57.4000108L35 I46 W80 T84 L86 F95 T108 S109 L111L35-I93 HydrophobicContact CD1-CD1 3.76Å; L35-I93 HydrophobicContact CD2-CD1 4.43Å; I46-I93 HydrophobicContact CG1-CG2 4.43Å; W80-I93 HydrophobicContact CZ3-CG2 4.26Å; T84-I93 HydrophobicContact CG2-CD1 3.83Å; L86-I93 HydrophobicContact CD2-CD1 3.74Å; I93-F95 HydrophobicContact CG2-CD1 3.73Å; I93-F95 HydrophobicContact CG2-CE1 3.82Å; I93-T108 CarbonylContact O-C 3.5Å; I93-T108 WeakPolarHBondContact O-CA 3.28Å; I93-S109 PolarHBondContact N-O 2.87Å; I93-S109 PolarHBondContact O-N 2.88Å; I93-L111 HydrophobicContact CG1-CD1 4.13Å; I93-L111 HydrophobicContact CG1-CD2 3.82Å; I93-L111 HydrophobicContact CG1-CG 3.86Å
94K96.5Very high95.6Very high29 Ų2938.5 Ų38.513%0.12621%0.205CC..EExtended strand (participates in β ladder)trans-135.2124.9176.8-174.4178-70.8-176.20110.6S81 E83 T84 L106 F107 T108 F132S81-K94 WeakPolarHBondContact CB-O 3.37Å; S81-K94 PolarHBondContact N-O 2.82Å; E83-K94 WeakPolarHBondContact OE2-CE 3.41Å; E83-K94 IonicContact OE2-NZ 3.21Å; E83-K94 PolarHBondContact OE2-NZ 3.33Å; T84-K94 PolarHBondContact OG1-N 3.46Å; T84-K94 PolarHBondContact OG1-O 3.11Å; K94-L106 HydrophobicContact CG-CD1 4.07Å; K94-F107 WeakPolarHBondContact CA-O 3.45Å; K94-T108 WeakPolarHBondContact CE-OG1 3.44Å; K94-F132 HydrophobicContact CG-CZ 4.5Å
95F97.7Very high95.7Very high0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-155.4163.9179.963.8-84.3000109V44 I46 F69 A79 W80 I93 T97 F107V44-F95 HydrophobicContact CB-CE2 4.33Å; V44-F95 HydrophobicContact CG1-CE2 3.73Å; V44-F95 HydrophobicContact CG1-CZ 4.02Å; V44-F95 HydrophobicContact CG2-CE2 4.47Å; I46-F95 HydrophobicContact CD1-CD1 4.17Å; I46-F95 HydrophobicContact CD1-CE1 3.83Å; I46-F95 HydrophobicContact CD1-CZ 4.04Å; I46-F95 HydrophobicContact CG1-CE1 3.97Å; I46-F95 HydrophobicContact CG1-CZ 4.29Å; F69-F95 HydrophobicContact CD2-CE1 4.38Å; F69-F95 AromaticContact CD2-CZ 3.97Å; F69-F95 HydrophobicContact CD2-CZ 3.97Å; F69-F95 AromaticContact CE2-CE1 4Å; F69-F95 HydrophobicContact CE2-CE1 4Å; F69-F95 HydrophobicContact CE2-CZ 4.06Å; F69-F95 HydrophobicContact CG-CZ 4.48Å; F69-F95 HydrophobicContact CZ-CE1 4.36Å; A79-F95 CarbonylContact O-C 3.56Å; A79-F95 VanDerWaalsContact O-CA 3.23Å; A79-F95 WeakPolarHBondContact O-CA 3.26Å; A79-F95 VanDerWaalsContact O-CB 3.31Å; A79-F95 WeakPolarHBondContact O-CB 3.45Å; W80-F95 HydrophobicContact CD2-CB 4.49Å; W80-F95 HydrophobicContact CE3-CB 4.07Å; I93-F95 HydrophobicContact CG2-CD1 3.73Å; I93-F95 HydrophobicContact CG2-CE1 3.82Å; F95-T97 HydrophobicContact CD2-CG2 3.9Å; F95-T97 HydrophobicContact CE2-CG2 3.78Å; F95-F107 HydrophobicContact CD1-CB 4.09Å; F95-F107 HydrophobicContact CD2-CB 4.31Å; F95-F107 HydrophobicContact CD2-CD2 4.14Å; F95-F107 HydrophobicContact CE1-CB 3.64Å; F95-F107 HydrophobicContact CE1-CG 4.24Å; F95-F107 HydrophobicContact CE2-CB 3.88Å; F95-F107 AromaticContact CE2-CD2 3.5Å; F95-F107 HydrophobicContact CE2-CD2 3.5Å; F95-F107 VanDerWaalsContact CE2-CD2 3.5Å; F95-F107 HydrophobicContact CE2-CE2 4.2Å; F95-F107 AromaticContact CE2-CG 3.77Å; F95-F107 HydrophobicContact CE2-CG 3.77Å; F95-F107 HydrophobicContact CG-CB 4.4Å; F95-F107 HydrophobicContact CZ-CB 3.53Å; F95-F107 HydrophobicContact CZ-CD1 4.23Å; F95-F107 AromaticContact CZ-CD2 3.86Å; F95-F107 HydrophobicContact CZ-CD2 3.86Å; F95-F107 AromaticContact CZ-CG 3.61Å; F95-F107 HydrophobicContact CZ-CG 3.61Å; F95-F107 PolarHBondContact N-O 2.94Å; F95-F107 PolarHBondContact O-N 3.24Å
96C98.2Very high96Very high0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-124157.2172.366.40000110.6I78 A79 I104 R105 L106 L130 F132 I140I78-C96 CarbonylContact C-O 3.55Å; I78-C96 WeakPolarHBondContact CA-O 3.48Å; A79-C96 PolarHBondContact N-O 3.42Å; A79-C96 PolarHBondContact O-N 2.88Å; C96-I104 HydrophobicContact CB-CG2 4.08Å; C96-R105 CarbonylContact C-O 3.58Å; C96-R105 WeakPolarHBondContact CA-O 3.42Å; C96-L106 HydrophobicContact CB-CD1 4.34Å; C96-L130 HydrophobicContact CB-CD2 4.26Å; C96-L130 WeakPolarHBondContact SG-CD2 3.36Å; C96-L130 VanDerWaalsContact SG-CG 3.56Å; C96-F132 HydrophobicContact CB-CE2 3.8Å; C96-F132 HydrophobicContact CB-CZ 4.31Å; C96-F132 WeakPolarHBondContact SG-CE2 3.31Å; C96-I140 HydrophobicContact CB-CD1 4.05Å
97T98.6Very high96.2Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-131.2146.5178.661.80000110.4V44 H71 V75 G77 I78 F95 I104 R105 F107 L130V44-T97 HydrophobicContact CG2-CG2 3.84Å; H71-T97 PolarHBondContact NE2-OG1 2.81Å; V75-T97 HydrophobicContact CG1-CG2 4.13Å; G77-T97 CarbonylContact O-C 3.47Å; G77-T97 WeakPolarHBondContact O-CA 3.34Å; G77-T97 WeakPolarHBondContact O-CB 3.44Å; I78-T97 HydrophobicContact CG1-CG2 4.1Å; F95-T97 HydrophobicContact CD2-CG2 3.9Å; F95-T97 HydrophobicContact CE2-CG2 3.78Å; T97-I104 CarbonylContact O-C 3.54Å; T97-I104 WeakPolarHBondContact O-CA 3.47Å; T97-R105 PolarHBondContact N-O 2.97Å; T97-R105 PolarHBondContact O-N 3.11Å; T97-F107 HydrophobicContact CG2-CD2 4.3Å; T97-F107 HydrophobicContact CG2-CE2 4.07Å; T97-L130 VanDerWaalsContact C-CD2 3.47Å
98S98.3Very high96.5Very high2 Ų230.4 Ų30.41%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-102.8151.6160.157.30000109.3D76 G77D76-S98 PolarHBondContact N-O 2.94Å; G77-S98 VanDerWaalsContact CA-OG 3.28Å; G77-S98 WeakPolarHBondContact CA-OG 3.49Å; G77-S98 PolarHBondContact N-O 2.92Å; G77-S98 PolarHBondContact N-OG 3.45Å; G77-S98 VanDerWaalsContact N-OG 3.15Å; G77-S98 PolarHBondContact O-N 2.98Å
99A97.9Very high96.8Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-144.3170.4-17500000112.9H71 V73 R74 D101 M102 K103H71-A99 WeakPolarHBondContact CE1-CB 3.41Å; V73-A99 HydrophobicContact CG2-CB 3.62Å; R74-A99 CarbonylContact O-C 3.53Å; R74-A99 WeakPolarHBondContact O-CA 3.23Å; R74-A99 VanDerWaalsContact O-CB 3.24Å; R74-A99 WeakPolarHBondContact O-CB 3.34Å; A99-D101 PolarHBondContact O-N 2.89Å; A99-M102 PolarHBondContact O-N 3.08Å; A99-K103 PolarHBondContact N-O 3.35Å
100A97.3Very high97Very high35 Ų3522 Ų2229%0.28912%0.122SC..THydrogen-bonded Turntrans-62.2-14.2-175.900000114.3R74 D76 M102R74-A100 HydrophobicContact CB-CB 4.11Å; R74-A100 PolarHBondContact O-N 3.2Å; D76-A100 WeakPolarHBondContact OD2-CA 3.24Å; D76-A100 PolarHBondContact OD2-N 2.62Å; A100-M102 VanDerWaalsContact C-N 3.28Å
101D97.9Very high97.1Very high49 Ų4921.1 Ų21.126%0.26211%0.114SC..THydrogen-bonded Turntrans-88.811.8173.472-22.7000113.8V73 A99 K103 R105V73-D101 HydrophobicContact CG1-CB 4.4Å; A99-D101 PolarHBondContact O-N 2.89Å; D101-K103 PolarHBondContact O-N 3.19Å; D101-K103 PolarHBondContact OD1-N 2.97Å; D101-R105 IonicContact OD1-CZ 3.44Å; D101-R105 IonicContact OD1-NH1 3.07Å; D101-R105 PolarHBondContact OD1-NH1 3.13Å; D101-R105 IonicContact OD1-NH2 3.77Å; D101-R105 IonicContact OD2-CZ 3.38Å; D101-R105 IonicContact OD2-NH1 3.93Å; D101-R105 PolarHBondContact OD2-NH1 2.65Å; D101-R105 IonicContact OD2-NH2 2.67Å; D101-R105 PolarHBondContact OD2-NH2 2.89Å
102M98.4Very high96.9Very high60 Ų6025.9 Ų25.930%0.29613%0.134SC..SBendtrans66.414.4176.1-48.2164177.100113.8A99 A100 T124 I127A99-M102 PolarHBondContact O-N 3.08Å; A100-M102 VanDerWaalsContact C-N 3.28Å; M102-T124 VanDerWaalsContact SD-C 3.53Å; M102-I127 WeakPolarHBondContact O-CD1 3.1Å
103K98.2Very high96.6Very high68 Ų6831 Ų3130%0.29616%0.16SC..  trans-105149.9-179.8-59.8-175.5-173.9-167.70111.2A99 D101 V119 E121A99-K103 PolarHBondContact N-O 3.35Å; D101-K103 PolarHBondContact O-N 3.19Å; D101-K103 PolarHBondContact OD1-N 2.97Å; K103-V119 HydrophobicContact CB-CG1 4.08Å; K103-V119 HydrophobicContact CD-CG1 3.65Å; K103-V119 HydrophobicContact CG-CG1 4.32Å; K103-E121 HydrophobicContact CD-CG 4.12Å; K103-E121 WeakPolarHBondContact CE-OE1 3.38Å; K103-E121 HydrophobicContact CG-CG 4.42Å; K103-E121 IonicContact NZ-OE1 3.27Å; K103-E121 PolarHBondContact NZ-OE1 2.94Å
104I98.6Very high96.4Very high1 Ų135.7 Ų35.71%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-96.6136.3167.5-64.4160.2000108.3C96 T97 V119 L120 I127 L130 S142C96-I104 HydrophobicContact CB-CG2 4.08Å; T97-I104 CarbonylContact O-C 3.54Å; T97-I104 WeakPolarHBondContact O-CA 3.47Å; I104-V119 WeakPolarHBondContact O-CA 3.28Å; I104-L120 HydrophobicContact CB-CB 3.86Å; I104-L120 HydrophobicContact CG2-CB 4.24Å; I104-L120 HydrophobicContact CG2-CD2 4.09Å; I104-L120 PolarHBondContact N-O 2.84Å; I104-L120 VanDerWaalsContact N-O 3.13Å; I104-L120 PolarHBondContact O-N 3.4Å; I104-I127 HydrophobicContact CD1-CD1 3.99Å; I104-I127 HydrophobicContact CG1-CD1 3.54Å; I104-L130 HydrophobicContact CD1-CD1 3.65Å; I104-L130 HydrophobicContact CG1-CD1 3.98Å; I104-L130 HydrophobicContact CG2-CD1 4.17Å; I104-L130 HydrophobicContact CG2-CD2 4.41Å; I104-S142 WeakPolarHBondContact CD1-OG 3.21Å
105R98.3Very high96.2Very high19 Ų1936.6 Ų36.67%0.07219%0.187CC..EExtended strand (participates in β ladder)trans-117.5121171.9-66.3171.9-176.264.4-4109.2H71 C96 T97 D101 F107 Y117 K118 V119H71-R105 VanDerWaalsContact CE1-CD 3.47Å; H71-R105 WeakPolarHBondContact CE1-CD 3.33Å; H71-R105 PolarHBondContact CE1-NH1 3.23Å; C96-R105 CarbonylContact C-O 3.58Å; C96-R105 WeakPolarHBondContact CA-O 3.42Å; T97-R105 PolarHBondContact N-O 2.97Å; T97-R105 PolarHBondContact O-N 3.11Å; D101-R105 IonicContact OD1-CZ 3.44Å; D101-R105 IonicContact OD1-NH1 3.07Å; D101-R105 PolarHBondContact OD1-NH1 3.13Å; D101-R105 IonicContact OD1-NH2 3.77Å; D101-R105 IonicContact OD2-CZ 3.38Å; D101-R105 IonicContact OD2-NH1 3.93Å; D101-R105 PolarHBondContact OD2-NH1 2.65Å; D101-R105 IonicContact OD2-NH2 2.67Å; D101-R105 PolarHBondContact OD2-NH2 2.89Å; R105-F107 HydrophobicContact CB-CD2 4.2Å; R105-F107 HydrophobicContact CB-CE2 3.55Å; R105-F107 HydrophobicContact CB-CZ 4.11Å; R105-Y117 HydrophobicContact CB-CD2 4.19Å; R105-Y117 HydrophobicContact CG-CD2 4.03Å; R105-Y117 HydrophobicContact CG-CE2 4.33Å; R105-K118 CarbonylContact C-O 3.59Å; R105-K118 VanDerWaalsContact CA-O 3.31Å; R105-K118 WeakPolarHBondContact CA-O 3.49Å; R105-V119 HydrophobicContact CG-CG2 4.45Å
106L98.2Very high96.1Very high7 Ų741.1 Ų41.14%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-94108.817517157.3000108.9K94 C96 Y117 K118 L120 F132 I140 L154K94-L106 HydrophobicContact CG-CD1 4.07Å; C96-L106 HydrophobicContact CB-CD1 4.34Å; L106-Y117 CarbonylContact O-C 3.56Å; L106-Y117 WeakPolarHBondContact O-CA 3.3Å; L106-Y117 WeakPolarHBondContact O-CB 3.48Å; L106-K118 PolarHBondContact N-O 3.02Å; L106-K118 PolarHBondContact O-N 2.95Å; L106-L120 HydrophobicContact CB-CD1 4Å; L106-F132 HydrophobicContact CD1-CE1 4.41Å; L106-F132 HydrophobicContact CD1-CE2 4.46Å; L106-F132 HydrophobicContact CD1-CZ 3.58Å; L106-I140 HydrophobicContact CD1-CD1 4.24Å; L106-I140 HydrophobicContact CD2-CD1 4.39Å; L106-L154 HydrophobicContact CD2-CB 4.13Å; L106-L154 HydrophobicContact CD2-CD2 4.08Å
107F97.7Very high96Very high4 Ų446.8 Ų46.82%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-91142.5179.4-69.9-94.4000111.1F69 H71 K94 F95 T97 R105 E116 Y117F69-F107 HydrophobicContact CB-CD1 4.42Å; F69-F107 HydrophobicContact CB-CE1 4.09Å; F69-F107 AromaticContact CD1-CD1 3.92Å; F69-F107 HydrophobicContact CD1-CD1 3.92Å; F69-F107 HydrophobicContact CD1-CE1 4.3Å; F69-F107 HydrophobicContact CG-CD1 4.23Å; F69-F107 HydrophobicContact CG-CE1 4.39Å; H71-F107 AromaticContact CD2-CE2 3.99Å; H71-F107 AromaticContact CD2-CZ 3.84Å; K94-F107 WeakPolarHBondContact CA-O 3.45Å; F95-F107 HydrophobicContact CD1-CB 4.09Å; F95-F107 HydrophobicContact CD2-CB 4.31Å; F95-F107 HydrophobicContact CD2-CD2 4.14Å; F95-F107 HydrophobicContact CE1-CB 3.64Å; F95-F107 HydrophobicContact CE1-CG 4.24Å; F95-F107 HydrophobicContact CE2-CB 3.88Å; F95-F107 AromaticContact CE2-CD2 3.5Å; F95-F107 HydrophobicContact CE2-CD2 3.5Å; F95-F107 VanDerWaalsContact CE2-CD2 3.5Å; F95-F107 HydrophobicContact CE2-CE2 4.2Å; F95-F107 AromaticContact CE2-CG 3.77Å; F95-F107 HydrophobicContact CE2-CG 3.77Å; F95-F107 HydrophobicContact CG-CB 4.4Å; F95-F107 HydrophobicContact CZ-CB 3.53Å; F95-F107 HydrophobicContact CZ-CD1 4.23Å; F95-F107 AromaticContact CZ-CD2 3.86Å; F95-F107 HydrophobicContact CZ-CD2 3.86Å; F95-F107 AromaticContact CZ-CG 3.61Å; F95-F107 HydrophobicContact CZ-CG 3.61Å; F95-F107 PolarHBondContact N-O 2.94Å; F95-F107 PolarHBondContact O-N 3.24Å; T97-F107 HydrophobicContact CG2-CD2 4.3Å; T97-F107 HydrophobicContact CG2-CE2 4.07Å; R105-F107 HydrophobicContact CB-CD2 4.2Å; R105-F107 HydrophobicContact CB-CE2 3.55Å; R105-F107 HydrophobicContact CB-CZ 4.11Å; F107-E116 WeakPolarHBondContact CA-O 3.5Å; F107-Y117 HydrophobicContact CD1-CD1 4.44Å; F107-Y117 HydrophobicContact CD1-CG 4.39Å; F107-Y117 AromaticContact CE1-CD1 3.91Å; F107-Y117 HydrophobicContact CE1-CD1 3.91Å; F107-Y117 HydrophobicContact CE1-CG 4.03Å; F107-Y117 HydrophobicContact CZ-CD1 4.48Å; F107-Y117 HydrophobicContact CZ-CG 4.33Å
108T96.6Very high95.9Very high27 Ų2751.4 Ų51.417%0.16625%0.251CS..EExtended strand (participates in β ladder)trans-136128.3167.5-61.90000108.8I93 K94 E116I93-T108 CarbonylContact O-C 3.5Å; I93-T108 WeakPolarHBondContact O-CA 3.28Å; K94-T108 WeakPolarHBondContact CE-OG1 3.44Å; T108-E116 PolarHBondContact N-O 3.36Å; T108-E116 PolarHBondContact O-N 2.84Å
109S97Very high95.9Very high2 Ų254.2 Ų54.21%0.01427%0.267CS..EExtended strand (participates in β ladder)trans-138.4142.1-178.2174.90000112.5I93 L111 K114 N115I93-S109 PolarHBondContact N-O 2.87Å; I93-S109 PolarHBondContact O-N 2.88Å; S109-L111 PolarHBondContact OG-N 3.18Å; S109-K114 CarbonylContact C-O 3.49Å; S109-K114 WeakPolarHBondContact CA-O 3.37Å; S109-N115 PolarHBondContact OG-OD1 2.74Å
110D95.3Very high95.9Very high27 Ų2754.3 Ų54.314%0.14427%0.268CS..  trans-98.210170.369.4-4.3000113P90 P91 Q112 D113 K114P90-D110 HydrophobicContact CB-CB 3.95Å; P90-D110 HydrophobicContact CG-CB 4.09Å; P91-D110 WeakPolarHBondContact CG-O 2.99Å; P91-D110 VanDerWaalsContact O-CA 3.29Å; P91-D110 WeakPolarHBondContact O-CA 3.31Å; D110-Q112 PolarHBondContact O-N 3.13Å; D110-Q112 VanDerWaalsContact OD1-C 3.24Å; D110-Q112 VanDerWaalsContact OD1-CA 3.3Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.21Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.36Å; D110-Q112 PolarHBondContact OD1-N 2.8Å; D110-D113 PolarHBondContact OD1-N 3.07Å; D110-D113 VanDerWaalsContact OD1-N 3.15Å; D110-K114 HydrophobicContact CB-CB 4.16Å; D110-K114 VanDerWaalsContact CG-CB 3.45Å; D110-K114 PolarHBondContact N-O 3.06Å; D110-K114 PolarHBondContact OD1-N 3.06Å; D110-K114 VanDerWaalsContact OD1-O 3.1Å; D110-K114 VanDerWaalsContact OD2-CB 3.28Å; D110-K114 WeakPolarHBondContact OD2-CB 3.29Å; D110-K114 PolarHBondContact OD2-N 3.12Å
111L93.5Very high95.9Very high46 Ų4658.3 Ų58.324%0.24128%0.28CS..SBendtrans56.411.7-170.7-60.1177.6000114.7L66 R67 L86 P91 I93 S109L66-L111 HydrophobicContact CB-CD1 4.46Å; L66-L111 HydrophobicContact CB-CD2 4.19Å; L66-L111 HydrophobicContact CD1-CD1 4.09Å; R67-L111 HydrophobicContact CB-CD2 3.83Å; L86-L111 HydrophobicContact CD2-CD1 3.94Å; P91-L111 HydrophobicContact CB-CD1 4.29Å; P91-L111 HydrophobicContact CG-CB 4.11Å; P91-L111 HydrophobicContact CG-CD1 3.93Å; P91-L111 HydrophobicContact CG-CG 4.19Å; I93-L111 HydrophobicContact CG1-CD1 4.13Å; I93-L111 HydrophobicContact CG1-CD2 3.82Å; I93-L111 HydrophobicContact CG1-CG 3.86Å; S109-L111 PolarHBondContact OG-N 3.18Å
112Q91.1Very high95.8Very high120 Ų12057.3 Ų57.356%0.56128%0.282SS*.SBendtrans-123.4-112178.7-61178.619.700108.7D110 N115D110-Q112 PolarHBondContact O-N 3.13Å; D110-Q112 VanDerWaalsContact OD1-C 3.24Å; D110-Q112 VanDerWaalsContact OD1-CA 3.3Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.21Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.36Å; D110-Q112 PolarHBondContact OD1-N 2.8Å; Q112-N115 PolarHBondContact O-ND2 2.95Å
113D87.9Confident95.8Very high155 Ų15555.1 Ų55.183%0.82927%0.271SS*.SBendtrans-89-34-173.2-64.4-38.1000112.1D110 N115D110-D113 PolarHBondContact OD1-N 3.07Å; D110-D113 VanDerWaalsContact OD1-N 3.15Å; D113-N115 PolarHBondContact O-N 3.39Å; D113-N115 PolarHBondContact O-ND2 2.92Å
114K91.5Very high95.8Very high98 Ų9857 Ų5743%0.42629%0.288SS..  trans-81.6104.2-179-168.5177.3180-178.90109.2S109 D110 E116S109-K114 CarbonylContact C-O 3.49Å; S109-K114 WeakPolarHBondContact CA-O 3.37Å; D110-K114 HydrophobicContact CB-CB 4.16Å; D110-K114 VanDerWaalsContact CG-CB 3.45Å; D110-K114 PolarHBondContact N-O 3.06Å; D110-K114 PolarHBondContact OD1-N 3.06Å; D110-K114 VanDerWaalsContact OD1-O 3.1Å; D110-K114 VanDerWaalsContact OD2-CB 3.28Å; D110-K114 WeakPolarHBondContact OD2-CB 3.29Å; D110-K114 PolarHBondContact OD2-N 3.12Å; K114-E116 WeakPolarHBondContact CE-OE1 3.17Å; K114-E116 IonicContact NZ-OE1 3.89Å; K114-E116 PolarHBondContact NZ-OE1 2.56Å
115N92.8Very high95.8Very high49 Ų4959.6 Ų59.626%0.26230%0.302SS..EExtended strand (participates in β ladder)trans-137.784.1174.5-58.3-84.9000108R67 F69 S109 Q112 D113R67-N115 VanDerWaalsContact NH1-CG 3.27Å; R67-N115 PolarHBondContact NH1-ND2 3.05Å; R67-N115 PolarHBondContact NH1-OD1 2.83Å; F69-N115 HydrophobicContact CE1-CB 4.12Å; S109-N115 PolarHBondContact OG-OD1 2.74Å; Q112-N115 PolarHBondContact O-ND2 2.95Å; D113-N115 PolarHBondContact O-N 3.39Å; D113-N115 PolarHBondContact O-ND2 2.92Å
116E94.8Very high95.8Very high94 Ų9462.7 Ų62.744%0.43932%0.317SS..EExtended strand (participates in β ladder)trans-117.6159.6-174.268.1-174.6-176.900111.3F107 T108 K114F107-E116 WeakPolarHBondContact CA-O 3.5Å; T108-E116 PolarHBondContact N-O 3.36Å; T108-E116 PolarHBondContact O-N 2.84Å; K114-E116 WeakPolarHBondContact CE-OE1 3.17Å; K114-E116 IonicContact NZ-OE1 3.89Å; K114-E116 PolarHBondContact NZ-OE1 2.56Å
117Y96.5Very high95.8Very high119 Ų11962.8 Ų62.847%0.46732%0.317SS..EExtended strand (participates in β ladder)trans-140.1151.2167.568.3-88.5000111.5R105 L106 F107 V119R105-Y117 HydrophobicContact CB-CD2 4.19Å; R105-Y117 HydrophobicContact CG-CD2 4.03Å; R105-Y117 HydrophobicContact CG-CE2 4.33Å; L106-Y117 CarbonylContact O-C 3.56Å; L106-Y117 WeakPolarHBondContact O-CA 3.3Å; L106-Y117 WeakPolarHBondContact O-CB 3.48Å; F107-Y117 HydrophobicContact CD1-CD1 4.44Å; F107-Y117 HydrophobicContact CD1-CG 4.39Å; F107-Y117 AromaticContact CE1-CD1 3.91Å; F107-Y117 HydrophobicContact CE1-CD1 3.91Å; F107-Y117 HydrophobicContact CE1-CG 4.03Å; F107-Y117 HydrophobicContact CZ-CD1 4.48Å; F107-Y117 HydrophobicContact CZ-CG 4.33Å; Y117-V119 HydrophobicContact CD2-CG2 3.96Å; Y117-V119 HydrophobicContact CE2-CG2 3.63Å
118K96.7Very high95.8Very high98 Ų9865.4 Ų65.443%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-105.6146.2166.8-63.7-177-172.3173.60109.5R105 L106 L120 L154R105-K118 CarbonylContact C-O 3.59Å; R105-K118 VanDerWaalsContact CA-O 3.31Å; R105-K118 WeakPolarHBondContact CA-O 3.49Å; L106-K118 PolarHBondContact N-O 3.02Å; L106-K118 PolarHBondContact O-N 2.95Å; K118-L120 HydrophobicContact CB-CD1 4.34Å; K118-L154 PolarHBondContact NZ-O 3.08Å
119V97.4Very high95.9Very high60 Ų6064.7 Ų64.736%0.36433%0.329SS..EExtended strand (participates in β ladder)trans-100.1128175.6-1740000108.8K103 I104 R105 Y117 E121K103-V119 HydrophobicContact CB-CG1 4.08Å; K103-V119 HydrophobicContact CD-CG1 3.65Å; K103-V119 HydrophobicContact CG-CG1 4.32Å; I104-V119 WeakPolarHBondContact O-CA 3.28Å; R105-V119 HydrophobicContact CG-CG2 4.45Å; Y117-V119 HydrophobicContact CD2-CG2 3.96Å; Y117-V119 HydrophobicContact CE2-CG2 3.63Å; V119-E121 HydrophobicContact CG1-CG 3.67Å
120L97.8Very high95.9Very high3 Ų365.3 Ų65.32%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-106.3111.1176.3-77.866.3000106.8I104 L106 K118 I140 W152I104-L120 HydrophobicContact CB-CB 3.86Å; I104-L120 HydrophobicContact CG2-CB 4.24Å; I104-L120 HydrophobicContact CG2-CD2 4.09Å; I104-L120 PolarHBondContact N-O 2.84Å; I104-L120 VanDerWaalsContact N-O 3.13Å; I104-L120 PolarHBondContact O-N 3.4Å; L106-L120 HydrophobicContact CB-CD1 4Å; K118-L120 HydrophobicContact CB-CD1 4.34Å; L120-I140 HydrophobicContact CD2-CD1 4.13Å; L120-W152 HydrophobicContact CB-CE3 4.47Å; L120-W152 HydrophobicContact CD2-CB 3.65Å; L120-W152 HydrophobicContact CD2-CD2 4.14Å; L120-W152 HydrophobicContact CD2-CE3 4.5Å; L120-W152 HydrophobicContact CD2-CG 3.77Å
121E96.9Very high96Very high118 Ų11865.6 Ų65.655%0.55133%0.334SS*.  trans-110.9137.4-175.4-58.5-168.7167.400110.7K103 V119 W152K103-E121 HydrophobicContact CD-CG 4.12Å; K103-E121 WeakPolarHBondContact CE-OE1 3.38Å; K103-E121 HydrophobicContact CG-CG 4.42Å; K103-E121 IonicContact NZ-OE1 3.27Å; K103-E121 PolarHBondContact NZ-OE1 2.94Å; V119-E121 HydrophobicContact CG1-CG 3.67Å; E121-W152 WeakPolarHBondContact O-CH2 3.3Å; E121-W152 WeakPolarHBondContact O-CZ3 3.5Å
122G96.3Very high96.2Very high29 Ų2963.8 Ų63.830%0.29933%0.325SS..  trans164.5-28.7168.900000114.1R150G122-R150 VanDerWaalsContact C-CZ 3.44Å; G122-R150 PolarHBondContact O-NH1 2.86Å; G122-R150 PolarHBondContact O-NH2 2.91Å
123H98.3Very high96.4Very high14 Ų1458.8 Ų58.87%0.06530%0.302CS..  trans-64.6140.7169.7-79.2-58.8000110.9I127 S142 S144 D146 T148H123-I127 HydrophobicContact CB-CD1 4.13Å; H123-I127 HydrophobicContact CB-CG1 4Å; H123-S142 PolarHBondContact CD2-OG 2.98Å; H123-S142 PolarHBondContact NE2-OG 2.86Å; H123-S144 VanDerWaalsContact CE1-CB 3.5Å; H123-S144 WeakPolarHBondContact CE1-CB 2.89Å; H123-S144 WeakPolarHBondContact ND1-CB 3.43Å; H123-D146 VanDerWaalsContact CA-OD2 3.25Å; H123-D146 WeakPolarHBondContact CA-OD2 3.48Å; H123-D146 IonicContact CE1-OD1 3.32Å; H123-D146 IonicContact CE1-OD2 2.79Å; H123-D146 IonicContact CG-OD2 3.96Å; H123-D146 IonicContact ND1-OD1 2.68Å; H123-D146 PolarHBondContact ND1-OD1 3.04Å; H123-D146 IonicContact ND1-OD2 3.58Å; H123-D146 PolarHBondContact ND1-OD2 3.28Å; H123-T148 PolarHBondContact CE1-OG1 2.86Å; H123-T148 PolarHBondContact ND1-OG1 3.46Å
124T98.4Very high96.6Very high106 Ų10653.5 Ų53.565%0.6528%0.276SS*.  trans-112.84.6-176.459.20000113.4M102 D146M102-T124 VanDerWaalsContact SD-C 3.53Å; T124-D146 PolarHBondContact N-OD2 2.81Å; T124-D146 VanDerWaalsContact N-OD2 3.16Å; T124-D146 WeakPolarHBondContact OG1-CB 3.22Å
125D98.6Very high96.6Very high57 Ų5755 Ų5531%0.30528%0.282SS..SBendtrans-148.1179.4175.3-145.7-36.4000109.6S144 D145 D146D125-S144 PolarHBondContact O-OG 2.89Å; D125-D145 HydrophobicContact CB-CB 3.82Å; D125-D146 HydrophobicContact CB-CB 3.97Å
126F98.2Very high96.4Very high84 Ų8458 Ų5837%0.36830%0.295SS..  trans-53.9139.9-177-67.2-67.8000112.7S144 D145F126-S144 CarbonylContact O-C 3.54Å; F126-S144 WeakPolarHBondContact O-CA 3.4Å; F126-S144 VanDerWaalsContact O-CB 3.23Å; F126-S144 WeakPolarHBondContact O-CB 3.24Å; F126-S144 PolarHBondContact O-OG 3.15Å; F126-D145 PolarHBondContact O-N 2.86Å
127I98.7Very high96.3Very high9 Ų953.5 Ų53.55%0.04627%0.274CS..EExtended strand (participates in β ladder)trans-97.8114.5178.3-57.8175.2000108.1M102 I104 H123 V143M102-I127 WeakPolarHBondContact O-CD1 3.1Å; I104-I127 HydrophobicContact CD1-CD1 3.99Å; I104-I127 HydrophobicContact CG1-CD1 3.54Å; H123-I127 HydrophobicContact CB-CD1 4.13Å; H123-I127 HydrophobicContact CB-CG1 4Å; I127-V143 CarbonylContact C-O 3.49Å; I127-V143 WeakPolarHBondContact CA-O 3.28Å
128N98.1Very high96.3Very high59 Ų5951.9 Ų51.932%0.31627%0.27SS..EExtended strand (participates in β ladder)trans-94.2-22.4-173.3-57.8-54.6000113.3V143 D145 G168 M169N128-V143 PolarHBondContact N-O 3.19Å; N128-D145 PolarHBondContact ND2-N 3Å; N128-D145 PolarHBondContact ND2-OD1 3.16Å; N128-G168 VanDerWaalsContact CB-O 3.3Å; N128-G168 WeakPolarHBondContact CB-O 3.21Å; N128-G168 PolarHBondContact ND2-O 2.93Å; N128-M169 HydrophobicContact CB-CE 4.44Å
129G97.9Very high96.2Very high11 Ų1149.2 Ų49.211%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-144.6142.2-179.500000111.5S142 V143G129-S142 VanDerWaalsContact O-CA 3.27Å; G129-S142 WeakPolarHBondContact O-CA 3.49Å; G129-V143 PolarHBondContact N-O 2.81Å; G129-V143 PolarHBondContact O-N 2.88Å
130L97.7Very high96.3Very high15 Ų1546.4 Ų46.48%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-150.8129.6-175.8-176.467.2000108.6A79 C96 T97 I104 I140 A141A79-L130 HydrophobicContact CB-CG 4.19Å; A79-L130 WeakPolarHBondContact CB-O 3.37Å; C96-L130 HydrophobicContact CB-CD2 4.26Å; C96-L130 WeakPolarHBondContact SG-CD2 3.36Å; C96-L130 VanDerWaalsContact SG-CG 3.56Å; T97-L130 VanDerWaalsContact C-CD2 3.47Å; I104-L130 HydrophobicContact CD1-CD1 3.65Å; I104-L130 HydrophobicContact CG1-CD1 3.98Å; I104-L130 HydrophobicContact CG2-CD1 4.17Å; I104-L130 HydrophobicContact CG2-CD2 4.41Å; L130-I140 HydrophobicContact CD1-CG2 3.4Å; L130-I140 VanDerWaalsContact CD1-CG2 3.4Å; L130-I140 HydrophobicContact CG-CG2 4.35Å; L130-A141 CarbonylContact C-O 3.54Å; L130-A141 WeakPolarHBondContact CA-O 3.08Å
131V97.8Very high96.3Very high33 Ų3346.2 Ų46.220%0.224%0.242CC..EExtended strand (participates in β ladder)trans-149147.5179.3-67.30000111.2I140 A141 V171 W173V131-I140 CarbonylContact O-C 3.48Å; V131-I140 WeakPolarHBondContact O-CA 3.33Å; V131-A141 HydrophobicContact CG2-CB 3.92Å; V131-A141 PolarHBondContact N-O 2.65Å; V131-A141 PolarHBondContact O-N 3.09Å; V131-V171 VanDerWaalsContact CG1-O 3.27Å; V131-V171 WeakPolarHBondContact CG1-O 3.44Å; V131-V171 HydrophobicContact CG2-CG1 3.95Å; V131-V171 HydrophobicContact CG2-CG2 4.06Å; V131-W173 VanDerWaalsContact CG2-CD1 3.43Å
132F97Very high96.4Very high8 Ų840.6 Ų40.64%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-84150.9164.8-89-96.3000111.2A79 W80 K94 C96 L106 P134 E139 I140 L154 W173A79-F132 HydrophobicContact CB-CD2 4.17Å; W80-F132 WeakPolarHBondContact O-CB 3.26Å; W80-F132 WeakPolarHBondContact O-CD2 3.22Å; W80-F132 WeakPolarHBondContact O-CG 3.46Å; K94-F132 HydrophobicContact CG-CZ 4.5Å; C96-F132 HydrophobicContact CB-CE2 3.8Å; C96-F132 HydrophobicContact CB-CZ 4.31Å; C96-F132 WeakPolarHBondContact SG-CE2 3.31Å; L106-F132 HydrophobicContact CD1-CE1 4.41Å; L106-F132 HydrophobicContact CD1-CE2 4.46Å; L106-F132 HydrophobicContact CD1-CZ 3.58Å; F132-P134 WeakPolarHBondContact O-CD 3.26Å; F132-E139 CarbonylContact C-O 3.53Å; F132-E139 WeakPolarHBondContact CA-O 3.42Å; F132-I140 HydrophobicContact CD1-CG1 3.92Å; F132-I140 HydrophobicContact CD2-CG1 4.31Å; F132-I140 HydrophobicContact CE1-CD1 4.03Å; F132-I140 HydrophobicContact CE1-CG1 3.7Å; F132-I140 HydrophobicContact CE2-CD1 4.24Å; F132-I140 HydrophobicContact CE2-CG1 4.12Å; F132-I140 HydrophobicContact CG-CG1 4.24Å; F132-I140 HydrophobicContact CZ-CD1 3.78Å; F132-I140 HydrophobicContact CZ-CG1 3.83Å; F132-L154 HydrophobicContact CE1-CD2 3.79Å; F132-W173 VanDerWaalsContact C-CD1 3.48Å; F132-W173 VanDerWaalsContact C-NE1 3.32Å; F132-W173 PolarHBondContact O-NE1 2.87Å
133D94.7Very high96.5Very high15 Ų1539.2 Ų39.28%0.0820%0.201CC..  trans-55.2118.8159.8165.331.4000108.9P82 K135 E136 G137 E139 W173P82-D133 WeakPolarHBondContact CG-O 3.36Å; D133-K135 PolarHBondContact O-N 3.04Å; D133-K135 PolarHBondContact OD1-N 3.38Å; D133-K135 VanDerWaalsContact OD1-N 3.09Å; D133-E136 WeakPolarHBondContact OD2-CB 3.17Å; D133-E136 PolarHBondContact OD2-N 3.07Å; D133-G137 VanDerWaalsContact O-CA 3.26Å; D133-G137 WeakPolarHBondContact O-CA 3.43Å; D133-G137 PolarHBondContact O-N 3.24Å; D133-G137 PolarHBondContact OD2-N 2.78Å; D133-E139 HydrophobicContact CB-CB 4.29Å; D133-E139 PolarHBondContact N-O 3.42Å; D133-W173 HydrophobicContact CB-CD2 4.47Å; D133-W173 HydrophobicContact CB-CZ2 4.15Å
134P93.1Very high96.5Very high44 Ų4438.6 Ų38.629%0.28620%0.198SC..THydrogen-bonded Turntrans-72.7-16.2-173.729.9-37.2000113.6F27 F132 W173F27-P134 HydrophobicContact CE1-CB 3.74Å; F27-P134 HydrophobicContact CZ-CB 4.32Å; F132-P134 WeakPolarHBondContact O-CD 3.26Å; P134-W173 VanDerWaalsContact CD-CB 3.45Å; P134-W173 HydrophobicContact CG-CB 3.99Å
135K90Very high96.5Very high129 Ų12935.3 Ų35.356%0.56118%0.177SC*.THydrogen-bonded Turntrans-93.7-63.1-172.2-173.3176.7173.4179.90112.4D133 T178D133-K135 PolarHBondContact O-N 3.04Å; D133-K135 PolarHBondContact OD1-N 3.38Å; D133-K135 VanDerWaalsContact OD1-N 3.09Å; K135-T178 PolarHBondContact NZ-OG1 3.01Å
136E89.5Confident96.5Very high112 Ų11233.8 Ų33.852%0.52317%0.169SC..THydrogen-bonded Turntrans-97.3-19.2-177.4-55.8-61.7149.100111.6D133 Q138D133-E136 WeakPolarHBondContact OD2-CB 3.17Å; D133-E136 PolarHBondContact OD2-N 3.07Å; E136-Q138 HydrophobicContact CB-CG 3.99Å; E136-Q138 PolarHBondContact O-N 3.32Å; E136-Q138 PolarHBondContact O-NE2 3.06Å
137G93.4Very high96.6Very high0 Ų033.8 Ų33.80%017%0.169CC..  trans69.113.3179.400000114.6D133D133-G137 VanDerWaalsContact O-CA 3.26Å; D133-G137 WeakPolarHBondContact O-CA 3.43Å; D133-G137 PolarHBondContact O-N 3.24Å; D133-G137 PolarHBondContact OD2-N 2.78Å
138Q94.9Very high96.6Very high85 Ų8534 Ų3440%0.39717%0.171SC..  trans-91.3-11.6-173.4-59.1-50.2-54.200113.8E83 E136 N153E83-Q138 PolarHBondContact OE1-NE2 2.95Å; E136-Q138 HydrophobicContact CB-CG 3.99Å; E136-Q138 PolarHBondContact O-N 3.32Å; E136-Q138 PolarHBondContact O-NE2 3.06Å; Q138-N153 WeakPolarHBondContact O-CA 3.09Å
139E96.5Very high96.6Very high43 Ų4331.2 Ų31.220%0.20116%0.156CC..EExtended strand (participates in β ladder)trans-126148.4-179.8-63.8-167.9128.700112F132 D133 I151 W152 T159 W173F132-E139 CarbonylContact C-O 3.53Å; F132-E139 WeakPolarHBondContact CA-O 3.42Å; D133-E139 HydrophobicContact CB-CB 4.29Å; D133-E139 PolarHBondContact N-O 3.42Å; E139-I151 HydrophobicContact CB-CG2 3.97Å; E139-I151 HydrophobicContact CG-CG2 4.26Å; E139-W152 CarbonylContact C-O 3.41Å; E139-W152 VanDerWaalsContact CA-O 3.23Å; E139-W152 WeakPolarHBondContact CA-O 3.42Å; E139-T159 PolarHBondContact OE1-OG1 3.37Å; E139-W173 HydrophobicContact CB-CH2 4.36Å; E139-W173 HydrophobicContact CB-CZ2 4.12Å
140I98.1Very high96.6Very high0 Ų032.5 Ų32.50%016%0.158CC..EExtended strand (participates in β ladder)trans-118.9129.4172.6-61.2166.3000107C96 L106 L120 L130 V131 F132 I151 W152 L154C96-I140 HydrophobicContact CB-CD1 4.05Å; L106-I140 HydrophobicContact CD1-CD1 4.24Å; L106-I140 HydrophobicContact CD2-CD1 4.39Å; L120-I140 HydrophobicContact CD2-CD1 4.13Å; L130-I140 HydrophobicContact CD1-CG2 3.4Å; L130-I140 VanDerWaalsContact CD1-CG2 3.4Å; L130-I140 HydrophobicContact CG-CG2 4.35Å; V131-I140 CarbonylContact O-C 3.48Å; V131-I140 WeakPolarHBondContact O-CA 3.33Å; F132-I140 HydrophobicContact CD1-CG1 3.92Å; F132-I140 HydrophobicContact CD2-CG1 4.31Å; F132-I140 HydrophobicContact CE1-CD1 4.03Å; F132-I140 HydrophobicContact CE1-CG1 3.7Å; F132-I140 HydrophobicContact CE2-CD1 4.24Å; F132-I140 HydrophobicContact CE2-CG1 4.12Å; F132-I140 HydrophobicContact CG-CG1 4.24Å; F132-I140 HydrophobicContact CZ-CD1 3.78Å; F132-I140 HydrophobicContact CZ-CG1 3.83Å; I140-I151 CarbonylContact O-C 2.93Å; I140-I151 WeakPolarHBondContact O-CA 3.3Å; I140-W152 HydrophobicContact CB-CB 4.42Å; I140-W152 PolarHBondContact N-O 3.19Å; I140-W152 PolarHBondContact O-N 3.48Å; I140-L154 HydrophobicContact CD1-CD2 4.36Å; I140-L154 HydrophobicContact CG1-CD2 4.44Å
141A98.2Very high96.6Very high0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-105.7137.217200000110.2L130 V131 R150 I151 V171 W173 L181L130-A141 CarbonylContact C-O 3.54Å; L130-A141 WeakPolarHBondContact CA-O 3.08Å; V131-A141 HydrophobicContact CG2-CB 3.92Å; V131-A141 PolarHBondContact N-O 2.65Å; V131-A141 PolarHBondContact O-N 3.09Å; A141-R150 CarbonylContact C-O 3.51Å; A141-R150 WeakPolarHBondContact CA-O 3.27Å; A141-I151 HydrophobicContact CB-CD1 3.48Å; A141-I151 VanDerWaalsContact CB-CD1 3.48Å; A141-V171 HydrophobicContact CB-CG2 3.79Å; A141-W173 HydrophobicContact CB-CZ2 4Å; A141-L181 HydrophobicContact CB-CD1 3.89Å; A141-L181 HydrophobicContact CB-CD2 4.16Å
142S98.7Very high96.6Very high0 Ų030.5 Ų30.50%015%0.146CC..EExtended strand (participates in β ladder)trans-137.9147.6178.7610000112.5I104 H123 G129 C149 R150 W152I104-S142 WeakPolarHBondContact CD1-OG 3.21Å; H123-S142 PolarHBondContact CD2-OG 2.98Å; H123-S142 PolarHBondContact NE2-OG 2.86Å; G129-S142 VanDerWaalsContact O-CA 3.27Å; G129-S142 WeakPolarHBondContact O-CA 3.49Å; S142-C149 CarbonylContact O-C 3.3Å; S142-C149 VanDerWaalsContact O-CA 3.26Å; S142-C149 WeakPolarHBondContact O-CA 3.35Å; S142-R150 PolarHBondContact N-O 2.89Å; S142-R150 PolarHBondContact O-N 2.95Å; S142-W152 PolarHBondContact OG-NE1 2.97Å
143V98.8Very high96.6Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-131.6145.4177.1-67.20000111.2I127 N128 G129 T148 C149 V171 V183I127-V143 CarbonylContact C-O 3.49Å; I127-V143 WeakPolarHBondContact CA-O 3.28Å; N128-V143 PolarHBondContact N-O 3.19Å; G129-V143 PolarHBondContact N-O 2.81Å; G129-V143 PolarHBondContact O-N 2.88Å; V143-T148 WeakPolarHBondContact CA-O 3.4Å; V143-C149 HydrophobicContact CG1-CB 3.76Å; V143-V171 HydrophobicContact CG1-CB 3.81Å; V143-V171 HydrophobicContact CG1-CG1 4.26Å; V143-V171 HydrophobicContact CG1-CG2 4.36Å; V143-V171 HydrophobicContact CG2-CB 4.04Å; V143-V171 HydrophobicContact CG2-CG1 3.92Å; V143-V183 HydrophobicContact CG1-CG1 3.87Å; V143-V183 HydrophobicContact CG1-CG2 4.19Å
144S98.8Very high96.6Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-141.9161.9-168.6170.30000113.5H123 D125 F126 D146 H147 T148 G168H123-S144 VanDerWaalsContact CE1-CB 3.5Å; H123-S144 WeakPolarHBondContact CE1-CB 2.89Å; H123-S144 WeakPolarHBondContact ND1-CB 3.43Å; D125-S144 PolarHBondContact O-OG 2.89Å; F126-S144 CarbonylContact O-C 3.54Å; F126-S144 WeakPolarHBondContact O-CA 3.4Å; F126-S144 VanDerWaalsContact O-CB 3.23Å; F126-S144 WeakPolarHBondContact O-CB 3.24Å; F126-S144 PolarHBondContact O-OG 3.15Å; S144-D146 VanDerWaalsContact CB-OD1 3.27Å; S144-D146 WeakPolarHBondContact CB-OD1 3.34Å; S144-D146 PolarHBondContact O-N 3.27Å; S144-D146 PolarHBondContact OG-N 3.44Å; S144-D146 PolarHBondContact OG-OD1 2.83Å; S144-H147 PolarHBondContact O-N 3.01Å; S144-T148 PolarHBondContact N-O 3.01Å; S144-G168 PolarHBondContact O-N 3.43Å; S144-G168 VanDerWaalsContact O-N 3.09Å
145D98.7Very high96.8Very high38 Ų3835.4 Ų35.420%0.20317%0.166CC..THydrogen-bonded Turntrans-60.6-13.4165.7-80.90.1000113D125 F126 N128 H147 P167D125-D145 HydrophobicContact CB-CB 3.82Å; F126-D145 PolarHBondContact O-N 2.86Å; N128-D145 PolarHBondContact ND2-N 3Å; N128-D145 PolarHBondContact ND2-OD1 3.16Å; D145-H147 PolarHBondContact O-CD2 2.87Å; D145-H147 PolarHBondContact O-N 2.9Å; D145-H147 VanDerWaalsContact O-N 3.13Å; D145-P167 WeakPolarHBondContact OD1-CB 3.42Å
146D98.6Very high97Very high25 Ų2530.3 Ų30.313%0.13415%0.15CC..THydrogen-bonded Turntrans-73.75.4171.875.34.4000114.2H123 T124 D125 S144 T148 R150H123-D146 VanDerWaalsContact CA-OD2 3.25Å; H123-D146 WeakPolarHBondContact CA-OD2 3.48Å; H123-D146 IonicContact CE1-OD1 3.32Å; H123-D146 IonicContact CE1-OD2 2.79Å; H123-D146 IonicContact CG-OD2 3.96Å; H123-D146 IonicContact ND1-OD1 2.68Å; H123-D146 PolarHBondContact ND1-OD1 3.04Å; H123-D146 IonicContact ND1-OD2 3.58Å; H123-D146 PolarHBondContact ND1-OD2 3.28Å; T124-D146 PolarHBondContact N-OD2 2.81Å; T124-D146 VanDerWaalsContact N-OD2 3.16Å; T124-D146 WeakPolarHBondContact OG1-CB 3.22Å; D125-D146 HydrophobicContact CB-CB 3.97Å; S144-D146 VanDerWaalsContact CB-OD1 3.27Å; S144-D146 WeakPolarHBondContact CB-OD1 3.34Å; S144-D146 PolarHBondContact O-N 3.27Å; S144-D146 PolarHBondContact OG-N 3.44Å; S144-D146 PolarHBondContact OG-OD1 2.83Å; D146-T148 VanDerWaalsContact C-N 3.33Å; D146-T148 VanDerWaalsContact CG-OG1 3.25Å; D146-T148 WeakPolarHBondContact OD1-CA 3.33Å; D146-T148 VanDerWaalsContact OD1-CB 3.27Å; D146-T148 WeakPolarHBondContact OD1-CB 3.41Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.32Å; D146-T148 PolarHBondContact OD1-N 2.94Å; D146-T148 PolarHBondContact OD1-OG1 2.89Å; D146-T148 PolarHBondContact OD2-OG1 3.39Å; D146-R150 IonicContact OD2-NH2 3.83Å
147H98.6Very high97.3Very high83 Ų8329 Ų2938%0.38415%0.149SC..SBendtrans63.633.3-177.9-53.4179.1000113.3S144 D145 L164 P167S144-H147 PolarHBondContact O-N 3.01Å; D145-H147 PolarHBondContact O-CD2 2.87Å; D145-H147 PolarHBondContact O-N 2.9Å; D145-H147 VanDerWaalsContact O-N 3.13Å; H147-L164 HydrophobicContact CB-CB 4.46Å; H147-L164 WeakPolarHBondContact O-CA 3.31Å; H147-L164 VanDerWaalsContact O-CB 3.31Å; H147-L164 WeakPolarHBondContact O-CB 3.26Å; H147-L164 PolarHBondContact O-N 3.49Å; H147-P167 VanDerWaalsContact CD2-CD 3.5Å; H147-P167 WeakPolarHBondContact CD2-CD 3.25Å; H147-P167 VanDerWaalsContact NE2-CD 3.33Å; H147-P167 WeakPolarHBondContact NE2-CD 3.21Å
148T98.5Very high97.5Very high14 Ų1432.5 Ų32.59%0.08617%0.166CC..EExtended strand (participates in β ladder)trans-127.7145.7177.775.10000112.1H123 V143 S144 D146 R150 H161 F162H123-T148 PolarHBondContact CE1-OG1 2.86Å; H123-T148 PolarHBondContact ND1-OG1 3.46Å; V143-T148 WeakPolarHBondContact CA-O 3.4Å; S144-T148 PolarHBondContact N-O 3.01Å; D146-T148 VanDerWaalsContact C-N 3.33Å; D146-T148 VanDerWaalsContact CG-OG1 3.25Å; D146-T148 WeakPolarHBondContact OD1-CA 3.33Å; D146-T148 VanDerWaalsContact OD1-CB 3.27Å; D146-T148 WeakPolarHBondContact OD1-CB 3.41Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.32Å; D146-T148 PolarHBondContact OD1-N 2.94Å; D146-T148 PolarHBondContact OD1-OG1 2.89Å; D146-T148 PolarHBondContact OD2-OG1 3.39Å; T148-R150 PolarHBondContact OG1-NE 2.83Å; T148-H161 VanDerWaalsContact CG2-CE1 3.43Å; T148-H161 WeakPolarHBondContact CG2-CE1 3.11Å; T148-F162 WeakPolarHBondContact CA-O 3.23Å
149C98.5Very high97.5Very high0 Ų031.1 Ų31.10%016%0.163CC..EExtended strand (participates in β ladder)trans-106127.9159.5-178.50000108.1S142 V143 H161 F162 L164 V183S142-C149 CarbonylContact O-C 3.3Å; S142-C149 VanDerWaalsContact O-CA 3.26Å; S142-C149 WeakPolarHBondContact O-CA 3.35Å; V143-C149 HydrophobicContact CG1-CB 3.76Å; C149-H161 WeakPolarHBondContact O-CA 3.22Å; C149-F162 HydrophobicContact CB-CB 4.19Å; C149-F162 HydrophobicContact CB-CD2 4.23Å; C149-F162 PolarHBondContact N-O 2.93Å; C149-F162 PolarHBondContact O-N 2.99Å; C149-L164 HydrophobicContact CB-CD1 4.45Å; C149-L164 HydrophobicContact CB-CD2 4.18Å; C149-V183 HydrophobicContact CB-CG2 4.18Å
150R98.3Very high97.5Very high38 Ų3829.4 Ų29.414%0.14316%0.157CC..EExtended strand (participates in β ladder)trans-122.5140.3-178.8-64.9179.4-177-130.712.9110.3G122 A141 S142 D146 T148 W152 Q158G122-R150 VanDerWaalsContact C-CZ 3.44Å; G122-R150 PolarHBondContact O-NH1 2.86Å; G122-R150 PolarHBondContact O-NH2 2.91Å; A141-R150 CarbonylContact C-O 3.51Å; A141-R150 WeakPolarHBondContact CA-O 3.27Å; S142-R150 PolarHBondContact N-O 2.89Å; S142-R150 PolarHBondContact O-N 2.95Å; D146-R150 IonicContact OD2-NH2 3.83Å; T148-R150 PolarHBondContact OG1-NE 2.83Å; R150-W152 HydrophobicContact CB-CZ2 3.78Å; R150-W152 HydrophobicContact CG-CZ2 4.23Å; R150-Q158 VanDerWaalsContact CD-OE1 3.32Å
151I98.1Very high97.3Very high0 Ų033 Ų330%017%0.173CC..EExtended strand (participates in β ladder)trans-113.1132.6173.4-44.9-60.2000107.7E139 I140 A141 Q158 T159 A160 F162 W173 L181 L195E139-I151 HydrophobicContact CB-CG2 3.97Å; E139-I151 HydrophobicContact CG-CG2 4.26Å; I140-I151 CarbonylContact O-C 2.93Å; I140-I151 WeakPolarHBondContact O-CA 3.3Å; A141-I151 HydrophobicContact CB-CD1 3.48Å; A141-I151 VanDerWaalsContact CB-CD1 3.48Å; I151-Q158 CarbonylContact O-C 3.59Å; I151-Q158 VanDerWaalsContact O-CA 3.23Å; I151-Q158 WeakPolarHBondContact O-CA 3.36Å; I151-T159 WeakPolarHBondContact CG2-OG1 2.95Å; I151-T159 PolarHBondContact O-N 2.82Å; I151-T159 PolarHBondContact O-OG1 3.03Å; I151-A160 HydrophobicContact CB-CB 4.01Å; I151-A160 HydrophobicContact CG1-CB 3.82Å; I151-A160 PolarHBondContact N-O 3.47Å; I151-F162 HydrophobicContact CG1-CE2 4.37Å; I151-W173 HydrophobicContact CG2-CH2 4.44Å; I151-W173 HydrophobicContact CG2-CZ2 4.47Å; I151-L181 HydrophobicContact CD1-CD2 3.7Å; I151-L195 HydrophobicContact CD1-CD2 4.14Å; I151-L195 HydrophobicContact CG1-CD2 3.87Å; I151-L195 HydrophobicContact CG1-CG 4.49Å; I151-L195 HydrophobicContact CG2-CD2 4.07Å
152W97.9Very high97.3Very high6 Ų633.6 Ų33.62%0.02318%0.176CC..EExtended strand (participates in β ladder)trans-125139.1-175.3-46.287.6000109.6L120 E121 E139 I140 S142 R150 V157 Q158L120-W152 HydrophobicContact CB-CE3 4.47Å; L120-W152 HydrophobicContact CD2-CB 3.65Å; L120-W152 HydrophobicContact CD2-CD2 4.14Å; L120-W152 HydrophobicContact CD2-CE3 4.5Å; L120-W152 HydrophobicContact CD2-CG 3.77Å; E121-W152 WeakPolarHBondContact O-CH2 3.3Å; E121-W152 WeakPolarHBondContact O-CZ3 3.5Å; E139-W152 CarbonylContact C-O 3.41Å; E139-W152 VanDerWaalsContact CA-O 3.23Å; E139-W152 WeakPolarHBondContact CA-O 3.42Å; I140-W152 HydrophobicContact CB-CB 4.42Å; I140-W152 PolarHBondContact N-O 3.19Å; I140-W152 PolarHBondContact O-N 3.48Å; S142-W152 PolarHBondContact OG-NE1 2.97Å; R150-W152 HydrophobicContact CB-CZ2 3.78Å; R150-W152 HydrophobicContact CG-CZ2 4.23Å; W152-V157 WeakPolarHBondContact CA-O 3.37Å; W152-Q158 HydrophobicContact CE3-CB 4.04Å; W152-Q158 HydrophobicContact CZ3-CB 4.05Å
153N96.5Very high97.2Very high34 Ų3438.6 Ų38.618%0.18221%0.206CC..EExtended strand (participates in β ladder)trans-79.5174.3162.171.37.3000111.2Q138 E155 G156 V157 T159Q138-N153 WeakPolarHBondContact O-CA 3.09Å; N153-E155 PolarHBondContact ND2-OE2 2.79Å; N153-E155 VanDerWaalsContact ND2-OE2 3.13Å; N153-E155 PolarHBondContact O-N 2.72Å; N153-E155 WeakPolarHBondContact OD1-CA 3.26Å; N153-E155 WeakPolarHBondContact OD1-CB 3.3Å; N153-E155 PolarHBondContact OD1-N 2.94Å; N153-E155 VanDerWaalsContact OD1-N 3.13Å; N153-G156 PolarHBondContact O-N 2.82Å; N153-G156 PolarHBondContact OD1-N 3.08Å; N153-G156 VanDerWaalsContact OD1-N 3.09Å; N153-V157 PolarHBondContact N-O 3.09Å; N153-V157 WeakPolarHBondContact OD1-CA 3.44Å; N153-V157 WeakPolarHBondContact OD1-CB 3.26Å; N153-V157 PolarHBondContact OD1-N 3.48Å; N153-V157 PolarHBondContact OD1-O 2.61Å; N153-T159 HydrophobicContact CB-CG2 3.9Å
154L95.8Very high97.2Very high11 Ų1139 Ų396%0.05821%0.208CC..THydrogen-bonded Turntrans-73-7.5-179.1-52.2-171.2000114L106 K118 F132 I140 G156L106-L154 HydrophobicContact CD2-CB 4.13Å; L106-L154 HydrophobicContact CD2-CD2 4.08Å; K118-L154 PolarHBondContact NZ-O 3.08Å; F132-L154 HydrophobicContact CE1-CD2 3.79Å; I140-L154 HydrophobicContact CD1-CD2 4.36Å; I140-L154 HydrophobicContact CG1-CD2 4.44Å; L154-G156 VanDerWaalsContact C-N 3.32Å
155E95.7Very high97.1Very high125 Ų12545 Ų4558%0.58424%0.236SC*.THydrogen-bonded Turntrans-85-8.4169.6-65.365.1-135.200112.3N153 V157N153-E155 PolarHBondContact ND2-OE2 2.79Å; N153-E155 VanDerWaalsContact ND2-OE2 3.13Å; N153-E155 PolarHBondContact O-N 2.72Å; N153-E155 WeakPolarHBondContact OD1-CA 3.26Å; N153-E155 WeakPolarHBondContact OD1-CB 3.3Å; N153-E155 PolarHBondContact OD1-N 2.94Å; N153-E155 VanDerWaalsContact OD1-N 3.13Å; E155-V157 HydrophobicContact CB-CG2 4.34Å
156G94.5Very high97.1Very high22 Ų2244 Ų4423%0.22723%0.232CC..SBendtrans81.715.7-177.700000114.1N153 L154N153-G156 PolarHBondContact O-N 2.82Å; N153-G156 PolarHBondContact OD1-N 3.08Å; N153-G156 VanDerWaalsContact OD1-N 3.09Å; L154-G156 VanDerWaalsContact C-N 3.32Å
157V96.7Very high97.1Very high85 Ų8543.7 Ų43.752%0.51523%0.231SC..  trans-84.8131171.9-176.90000108.8W152 N153 E155 T159W152-V157 WeakPolarHBondContact CA-O 3.37Å; N153-V157 PolarHBondContact N-O 3.09Å; N153-V157 WeakPolarHBondContact OD1-CA 3.44Å; N153-V157 WeakPolarHBondContact OD1-CB 3.26Å; N153-V157 PolarHBondContact OD1-N 3.48Å; N153-V157 PolarHBondContact OD1-O 2.61Å; E155-V157 HydrophobicContact CB-CG2 4.34Å; V157-T159 PolarHBondContact O-N 2.96Å
158Q96.6Very high97.1Very high73 Ų7339.7 Ų39.734%0.34121%0.213SC..EExtended strand (participates in β ladder)trans-71.2114.3173.6-171.6-173.2-87.400110.1R150 I151 W152 A160R150-Q158 VanDerWaalsContact CD-OE1 3.32Å; I151-Q158 CarbonylContact O-C 3.59Å; I151-Q158 VanDerWaalsContact O-CA 3.23Å; I151-Q158 WeakPolarHBondContact O-CA 3.36Å; W152-Q158 HydrophobicContact CE3-CB 4.04Å; W152-Q158 HydrophobicContact CZ3-CB 4.05Å; Q158-A160 WeakPolarHBondContact CG-O 3.18Å
159T95.5Very high97.1Very high56 Ų5640 Ų4034%0.34421%0.214SC..EExtended strand (participates in β ladder)trans-88.5-30.1-179.356.90000112.7E139 I151 N153 V157E139-T159 PolarHBondContact OE1-OG1 3.37Å; I151-T159 WeakPolarHBondContact CG2-OG1 2.95Å; I151-T159 PolarHBondContact O-N 2.82Å; I151-T159 PolarHBondContact O-OG1 3.03Å; N153-T159 HydrophobicContact CB-CG2 3.9Å; V157-T159 PolarHBondContact O-N 2.96Å
160A96Very high97.1Very high8 Ų840.4 Ų40.47%0.06622%0.216CC..EExtended strand (participates in β ladder)trans-148.7159.9174.700000112I151 Q158 F162I151-A160 HydrophobicContact CB-CB 4.01Å; I151-A160 HydrophobicContact CG1-CB 3.82Å; I151-A160 PolarHBondContact N-O 3.47Å; Q158-A160 WeakPolarHBondContact CG-O 3.18Å; A160-F162 HydrophobicContact CB-CE2 4.39Å; A160-F162 HydrophobicContact CB-CZ 4.47Å
161H95Very high97.1Very high74 Ų7439 Ų3934%0.34321%0.212SC..EExtended strand (participates in β ladder)trans-151127.9-177.1174.482.2000111.1T148 C149T148-H161 VanDerWaalsContact CG2-CE1 3.43Å; T148-H161 WeakPolarHBondContact CG2-CE1 3.11Å; C149-H161 WeakPolarHBondContact O-CA 3.22Å
162F97.3Very high97Very high13 Ų1339.6 Ų39.66%0.05722%0.216CC..EExtended strand (participates in β ladder)trans-121.3127.7177.3-52.8-76.3000110T148 C149 I151 A160 Y193 L195 Q198T148-F162 WeakPolarHBondContact CA-O 3.23Å; C149-F162 HydrophobicContact CB-CB 4.19Å; C149-F162 HydrophobicContact CB-CD2 4.23Å; C149-F162 PolarHBondContact N-O 2.93Å; C149-F162 PolarHBondContact O-N 2.99Å; I151-F162 HydrophobicContact CG1-CE2 4.37Å; A160-F162 HydrophobicContact CB-CE2 4.39Å; A160-F162 HydrophobicContact CB-CZ 4.47Å; F162-Y193 HydrophobicContact CB-CD1 4.42Å; F162-Y193 HydrophobicContact CB-CE1 3.93Å; F162-Y193 AromaticContact CD1-CD1 3.51Å; F162-Y193 HydrophobicContact CD1-CD1 3.51Å; F162-Y193 AromaticContact CD1-CE1 3.69Å; F162-Y193 HydrophobicContact CD1-CE1 3.69Å; F162-Y193 HydrophobicContact CD1-CG 4.36Å; F162-Y193 HydrophobicContact CD2-CD1 4.29Å; F162-Y193 HydrophobicContact CD2-CG 4.41Å; F162-Y193 AromaticContact CE1-CD1 3.72Å; F162-Y193 HydrophobicContact CE1-CD1 3.72Å; F162-Y193 HydrophobicContact CE1-CE1 4.35Å; F162-Y193 HydrophobicContact CE1-CG 4.39Å; F162-Y193 HydrophobicContact CE2-CD1 4.46Å; F162-Y193 HydrophobicContact CE2-CG 4.44Å; F162-Y193 AromaticContact CG-CD1 3.81Å; F162-Y193 HydrophobicContact CG-CD1 3.81Å; F162-Y193 AromaticContact CG-CE1 3.83Å; F162-Y193 HydrophobicContact CG-CE1 3.83Å; F162-Y193 HydrophobicContact CG-CG 4.37Å; F162-Y193 HydrophobicContact CZ-CD1 4.2Å; F162-Y193 HydrophobicContact CZ-CG 4.43Å; F162-L195 HydrophobicContact CE2-CG 4.5Å; F162-L195 HydrophobicContact CZ-CG 4.46Å; F162-Q198 HydrophobicContact CE1-CB 4.26Å
163V97.4Very high97Very high106 Ų10640 Ų4064%0.64222%0.217SC*.EExtended strand (participates in β ladder)trans-80.3125.2171-178.10000108.5
164L97.9Very high96.9Very high7 Ų738.7 Ų38.74%0.03721%0.211CC..  trans-95160.9178.3-50.3-179.6000109.9H147 C149 S166 V183 E185 Y193H147-L164 HydrophobicContact CB-CB 4.46Å; H147-L164 WeakPolarHBondContact O-CA 3.31Å; H147-L164 VanDerWaalsContact O-CB 3.31Å; H147-L164 WeakPolarHBondContact O-CB 3.26Å; H147-L164 PolarHBondContact O-N 3.49Å; C149-L164 HydrophobicContact CB-CD1 4.45Å; C149-L164 HydrophobicContact CB-CD2 4.18Å; L164-S166 VanDerWaalsContact CB-O 3.29Å; L164-S166 WeakPolarHBondContact CB-O 3.46Å; L164-V183 HydrophobicContact CD1-CG1 4.01Å; L164-V183 HydrophobicContact CD2-CG1 3.96Å; L164-E185 HydrophobicContact CB-CG 4.42Å; L164-Y193 HydrophobicContact CD2-CE2 4.5Å; L164-Y193 WeakPolarHBondContact CD2-OH 3.15Å
165H97.4Very high96.6Very high126 Ų12640.4 Ų40.458%0.58322%0.222SC*.SBendtrans-92.1-13.7177.8-59.375.9000111.9E185 R191H165-E185 WeakPolarHBondContact CA-OE2 3.24Å; H165-E185 PolarHBondContact N-OE2 2.99Å; H165-R191 VanDerWaalsContact CE1-CZ 3.48Å; H165-R191 PolarHBondContact CE1-NH2 3.02Å; H165-R191 PolarHBondContact ND1-NH2 3.16Å; H165-R191 VanDerWaalsContact ND1-NH2 3.12Å
166S98.4Very high96.3Very high19 Ų1941.1 Ų41.113%0.13323%0.225CC..SBendtrans-148166.6177.1-149.10000109.7L164 G168 E185 N187L164-S166 VanDerWaalsContact CB-O 3.29Å; L164-S166 WeakPolarHBondContact CB-O 3.46Å; S166-G168 PolarHBondContact O-N 2.89Å; S166-E185 PolarHBondContact N-OE2 2.83Å; S166-N187 PolarHBondContact OG-N 2.69Å
167P98.7Very high96.2Very high17 Ų1744.5 Ų44.511%0.1124%0.235CC..  trans-47.7130.7169.7-34.441.8000112.6D145 H147 M169 E185 K186D145-P167 WeakPolarHBondContact OD1-CB 3.42Å; H147-P167 VanDerWaalsContact CD2-CD 3.5Å; H147-P167 WeakPolarHBondContact CD2-CD 3.25Å; H147-P167 VanDerWaalsContact NE2-CD 3.33Å; H147-P167 WeakPolarHBondContact NE2-CD 3.21Å; P167-M169 HydrophobicContact CB-SD 4.46Å; P167-E185 WeakPolarHBondContact O-CA 3.33Å; P167-K186 HydrophobicContact CB-CB 4.1Å; P167-K186 HydrophobicContact CB-CD 4.08Å; P167-K186 HydrophobicContact CG-CD 4.15Å; P167-K186 WeakPolarHBondContact O-CB 3.48Å; P167-K186 PolarHBondContact O-N 2.88Å
168G98.6Very high95.7Very high0 Ų043.1 Ų43.10%023%0.227CC..EExtended strand (participates in β ladder)trans-80.9126.1175.200000109.9N128 S144 S166N128-G168 VanDerWaalsContact CB-O 3.3Å; N128-G168 WeakPolarHBondContact CB-O 3.21Å; N128-G168 PolarHBondContact ND2-O 2.93Å; S144-G168 PolarHBondContact O-N 3.43Å; S144-G168 VanDerWaalsContact O-N 3.09Å; S166-G168 PolarHBondContact O-N 2.89Å
169M98.4Very high95.4Very high20 Ų2044.1 Ų44.110%0.09923%0.231CC..EExtended strand (participates in β ladder)trans-106.1-29.7-170.8-64.1-57.1-49.500113.3N128 P167 A184 K186 L211 M212N128-M169 HydrophobicContact CB-CE 4.44Å; P167-M169 HydrophobicContact CB-SD 4.46Å; M169-A184 PolarHBondContact N-O 3.01Å; M169-K186 HydrophobicContact CG-CB 3.73Å; M169-K186 HydrophobicContact CG-CG 4.23Å; M169-K186 HydrophobicContact SD-CB 4.06Å; M169-K186 HydrophobicContact SD-CD 4.05Å; M169-K186 HydrophobicContact SD-CG 4.16Å; M169-L211 HydrophobicContact CB-CD2 4.42Å; M169-L211 WeakPolarHBondContact CG-O 3.3Å; M169-M212 HydrophobicContact CE-CE 3.8Å; M169-M212 HydrophobicContact CE-SD 4.35Å
170S98.3Very high95.4Very high8 Ų843 Ų436%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-151.8150.4174.359.80000111.1V183 A184 A214S170-V183 WeakPolarHBondContact O-CA 3.41Å; S170-A184 PolarHBondContact N-O 2.75Å; S170-A184 PolarHBondContact O-N 2.88Å; S170-A184 WeakPolarHBondContact OG-CB 3.47Å; S170-A214 WeakPolarHBondContact CB-O 3.28Å; S170-A214 PolarHBondContact OG-N 3.08Å; S170-A214 PolarHBondContact OG-O 3.36Å
171V98.3Very high95.5Very high10 Ų1042.6 Ų42.66%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-135.6139.3177.855.60000108.9V131 A141 V143 L181 M182 V183V131-V171 VanDerWaalsContact CG1-O 3.27Å; V131-V171 WeakPolarHBondContact CG1-O 3.44Å; V131-V171 HydrophobicContact CG2-CG1 3.95Å; V131-V171 HydrophobicContact CG2-CG2 4.06Å; A141-V171 HydrophobicContact CB-CG2 3.79Å; V143-V171 HydrophobicContact CG1-CB 3.81Å; V143-V171 HydrophobicContact CG1-CG1 4.26Å; V143-V171 HydrophobicContact CG1-CG2 4.36Å; V143-V171 HydrophobicContact CG2-CB 4.04Å; V143-V171 HydrophobicContact CG2-CG1 3.92Å; V171-L181 HydrophobicContact CG2-CD1 3.61Å; V171-L181 HydrophobicContact CG2-CD2 3.88Å; V171-L181 HydrophobicContact CG2-CG 3.84Å; V171-M182 CarbonylContact C-O 3.57Å; V171-M182 VanDerWaalsContact CA-O 3.26Å; V171-M182 WeakPolarHBondContact CA-O 3.17Å; V171-V183 HydrophobicContact CG2-CG2 4.31Å
172C97.4Very high95.6Very high12 Ų1239.1 Ų39.18%0.08120%0.202CC..EExtended strand (participates in β ladder)trans-150131.3-179.3-169.80000109.7M182C172-M182 HydrophobicContact CB-CB 4.49Å; C172-M182 HydrophobicContact CB-CE 3.95Å; C172-M182 PolarHBondContact N-O 2.87Å; C172-M182 PolarHBondContact O-N 2.83Å
173W96.2Very high95.7Very high13 Ų1338.5 Ų38.55%0.04920%0.199CC..EExtended strand (participates in β ladder)trans-72146.6170.3-67.396.5000110.6V131 F132 D133 P134 E139 A141 I151 L181 L195V131-W173 VanDerWaalsContact CG2-CD1 3.43Å; F132-W173 VanDerWaalsContact C-CD1 3.48Å; F132-W173 VanDerWaalsContact C-NE1 3.32Å; F132-W173 PolarHBondContact O-NE1 2.87Å; D133-W173 HydrophobicContact CB-CD2 4.47Å; D133-W173 HydrophobicContact CB-CZ2 4.15Å; P134-W173 VanDerWaalsContact CD-CB 3.45Å; P134-W173 HydrophobicContact CG-CB 3.99Å; E139-W173 HydrophobicContact CB-CH2 4.36Å; E139-W173 HydrophobicContact CB-CZ2 4.12Å; A141-W173 HydrophobicContact CB-CZ2 4Å; I151-W173 HydrophobicContact CG2-CH2 4.44Å; I151-W173 HydrophobicContact CG2-CZ2 4.47Å; W173-L181 HydrophobicContact CD2-CD1 3.56Å; W173-L181 HydrophobicContact CE3-CD1 3.88Å; W173-L181 HydrophobicContact CG-CD1 3.88Å; W173-L181 HydrophobicContact CZ2-CD1 4.31Å; W173-L181 HydrophobicContact CZ3-CD1 4.4Å; W173-L195 HydrophobicContact CH2-CD2 3.31Å; W173-L195 HydrophobicContact CZ2-CD2 4.41Å; W173-L195 HydrophobicContact CZ3-CD1 4.12Å; W173-L195 HydrophobicContact CZ3-CD2 3.59Å; W173-L195 HydrophobicContact CZ3-CG 4.47Å
174H95.1Very high95.7Very high8 Ų833.4 Ų33.44%0.03717%0.168CC..  trans-63.9131.7168.2-164.7-94.6000109E176 E177 K180 W216H174-E176 PolarHBondContact ND1-N 3.43Å; H174-E176 PolarHBondContact O-N 2.68Å; H174-E177 HydrophobicContact CB-CB 4.03Å; H174-E177 IonicContact CD2-OE1 2.91Å; H174-E177 IonicContact CE1-OE1 2.72Å; H174-E177 PolarHBondContact CE1-OE1 2.7Å; H174-E177 WeakPolarHBondContact ND1-CB 3.37Å; H174-E177 PolarHBondContact ND1-N 3.35Å; H174-E177 IonicContact ND1-OE1 2.82Å; H174-E177 IonicContact NE2-OE1 3.89Å; H174-E177 PolarHBondContact NE2-OE1 2.91Å; H174-K180 HydrophobicContact CB-CB 3.74Å; H174-K180 HydrophobicContact CB-CD 4.19Å; H174-K180 HydrophobicContact CB-CG 4.05Å; H174-K180 WeakPolarHBondContact CB-O 3.38Å; H174-K180 PolarHBondContact N-O 2.74Å; H174-W216 AromaticContact CD2-CE2 3.53Å; H174-W216 AromaticContact CD2-CH2 3.38Å; H174-W216 WeakPolarHBondContact CD2-CH2 3.43Å; H174-W216 AromaticContact CD2-CZ2 3.2Å; H174-W216 WeakPolarHBondContact CD2-CZ2 3.4Å; H174-W216 AromaticContact CD2-CZ3 3.78Å; H174-W216 AromaticContact NE2-CE2 3.81Å; H174-W216 AromaticContact NE2-CZ2 3.44Å; H174-W216 WeakPolarHBondContact NE2-CZ2 3.16Å
175P88.7Confident95.8Very high46 Ų4633.1 Ų33.130%0.29917%0.166SC..SBendtrans-67.2-22-175.826.7-36.3000113.6L218 T221P175-L218 HydrophobicContact CB-CD2 3.94Å; P175-L218 HydrophobicContact CG-CD2 4.41Å; P175-T221 HydrophobicContact CG-CG2 3.52Å
176E89.8Confident95.8Very high140 Ų14030.8 Ų30.865%0.65416%0.155SC*.SBendtrans-119-29.1-175.5-63.9176177.900114.2H174 T221H174-E176 PolarHBondContact ND1-N 3.43Å; H174-E176 PolarHBondContact O-N 2.68Å; E176-T221 VanDerWaalsContact CD-CG2 3.44Å; E176-T221 HydrophobicContact CG-CG2 3.89Å
177E92.1Very high95.8Very high93 Ų9332.7 Ų32.744%0.43516%0.163SC..SBendtrans-99.5107.9-170.3-72.9178.3-10600107.1H174 F179 K180H174-E177 HydrophobicContact CB-CB 4.03Å; H174-E177 IonicContact CD2-OE1 2.91Å; H174-E177 IonicContact CE1-OE1 2.72Å; H174-E177 PolarHBondContact CE1-OE1 2.7Å; H174-E177 WeakPolarHBondContact ND1-CB 3.37Å; H174-E177 PolarHBondContact ND1-N 3.35Å; H174-E177 IonicContact ND1-OE1 2.82Å; H174-E177 IonicContact NE2-OE1 3.89Å; H174-E177 PolarHBondContact NE2-OE1 2.91Å; E177-F179 PolarHBondContact O-N 3.06Å; E177-K180 HydrophobicContact CB-CB 3.9Å; E177-K180 HydrophobicContact CB-CD 4.09Å; E177-K180 HydrophobicContact CG-CD 4.42Å; E177-K180 PolarHBondContact O-N 2.82Å; E177-K180 WeakPolarHBondContact OE1-CD 3.06Å; E177-K180 IonicContact OE1-NZ 2.62Å; E177-K180 PolarHBondContact OE1-NZ 3.19Å; E177-K180 WeakPolarHBondContact OE2-CD 3.5Å; E177-K180 IonicContact OE2-NZ 3.89Å; E177-K180 PolarHBondContact OE2-NZ 2.78Å
178T86.1Confident95.7Very high56 Ų5631.9 Ų31.934%0.34416%0.159SC..THydrogen-bonded Turntrans-61.9134.3177.8-450000107.6K135K135-T178 PolarHBondContact NZ-OG1 3.01Å
179F91.5Very high95.7Very high95 Ų9532.4 Ų32.442%0.41716%0.162SC..THydrogen-bonded Turntrans78.32.6-178.5-43.4-61.9000117.6E177 L195E177-F179 PolarHBondContact O-N 3.06Å; F179-L195 HydrophobicContact CB-CB 4.01Å; F179-L195 HydrophobicContact CD1-CB 4.47Å; F179-L195 VanDerWaalsContact O-CD1 3.22Å; F179-L195 WeakPolarHBondContact O-CD1 3.41Å; F179-L195 PolarHBondContact O-N 3.14Å
180K95.3Very high95.7Very high32 Ų3231.5 Ų31.514%0.13916%0.157CC..EExtended strand (participates in β ladder)trans-96.3124.4174.8-173.7173-180179.40110.8H174 E177 Y193 I201H174-K180 HydrophobicContact CB-CB 3.74Å; H174-K180 HydrophobicContact CB-CD 4.19Å; H174-K180 HydrophobicContact CB-CG 4.05Å; H174-K180 WeakPolarHBondContact CB-O 3.38Å; H174-K180 PolarHBondContact N-O 2.74Å; E177-K180 HydrophobicContact CB-CB 3.9Å; E177-K180 HydrophobicContact CB-CD 4.09Å; E177-K180 HydrophobicContact CG-CD 4.42Å; E177-K180 PolarHBondContact O-N 2.82Å; E177-K180 WeakPolarHBondContact OE1-CD 3.06Å; E177-K180 IonicContact OE1-NZ 2.62Å; E177-K180 PolarHBondContact OE1-NZ 3.19Å; E177-K180 WeakPolarHBondContact OE2-CD 3.5Å; E177-K180 IonicContact OE2-NZ 3.89Å; E177-K180 PolarHBondContact OE2-NZ 2.78Å; K180-Y193 WeakPolarHBondContact CA-O 3.19Å; K180-I201 HydrophobicContact CD-CD1 4.4Å; K180-I201 HydrophobicContact CG-CD1 4.36Å
181L97.3Very high95.7Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-126129.5-176.3-170.678000110.8A141 I151 V171 W173 V183 F192 Y193 L195A141-L181 HydrophobicContact CB-CD1 3.89Å; A141-L181 HydrophobicContact CB-CD2 4.16Å; I151-L181 HydrophobicContact CD1-CD2 3.7Å; V171-L181 HydrophobicContact CG2-CD1 3.61Å; V171-L181 HydrophobicContact CG2-CD2 3.88Å; V171-L181 HydrophobicContact CG2-CG 3.84Å; W173-L181 HydrophobicContact CD2-CD1 3.56Å; W173-L181 HydrophobicContact CE3-CD1 3.88Å; W173-L181 HydrophobicContact CG-CD1 3.88Å; W173-L181 HydrophobicContact CZ2-CD1 4.31Å; W173-L181 HydrophobicContact CZ3-CD1 4.4Å; L181-V183 HydrophobicContact CD2-CG2 4.11Å; L181-V183 HydrophobicContact CG-CG2 4.42Å; L181-F192 CarbonylContact O-C 3.51Å; L181-F192 VanDerWaalsContact O-CA 3.3Å; L181-F192 WeakPolarHBondContact O-CA 3.32Å; L181-Y193 PolarHBondContact N-O 3.37Å; L181-Y193 PolarHBondContact O-N 3.07Å; L181-L195 HydrophobicContact CB-CD1 3.53Å; L181-L195 HydrophobicContact CD2-CD1 4.29Å; L181-L195 HydrophobicContact CG-CD1 4.5Å
182M98.1Very high95.6Very high0 Ų033.4 Ų33.40%016%0.162CC..EExtended strand (participates in β ladder)trans-92.6133.5170.1-173.3-177.376.400110V171 C172 I190 R191 F192 A214 W216 V224V171-M182 CarbonylContact C-O 3.57Å; V171-M182 VanDerWaalsContact CA-O 3.26Å; V171-M182 WeakPolarHBondContact CA-O 3.17Å; C172-M182 HydrophobicContact CB-CB 4.49Å; C172-M182 HydrophobicContact CB-CE 3.95Å; C172-M182 PolarHBondContact N-O 2.87Å; C172-M182 PolarHBondContact O-N 2.83Å; M182-I190 HydrophobicContact CG-CG2 3.37Å; M182-I190 HydrophobicContact SD-CG2 3.68Å; M182-R191 CarbonylContact C-O 3.51Å; M182-R191 WeakPolarHBondContact CA-O 3.18Å; M182-F192 HydrophobicContact CB-CD1 3.86Å; M182-F192 HydrophobicContact CB-CE1 3.83Å; M182-F192 HydrophobicContact CG-CD1 3.93Å; M182-F192 HydrophobicContact CG-CE1 3.53Å; M182-F192 HydrophobicContact CG-CZ 4.34Å; M182-F192 HydrophobicContact SD-CE1 3.86Å; M182-F192 HydrophobicContact SD-CZ 4.41Å; M182-A214 HydrophobicContact CE-CB 3.86Å; M182-W216 HydrophobicContact CB-CE3 3.73Å; M182-W216 HydrophobicContact CB-CZ3 3.81Å; M182-W216 HydrophobicContact CG-CE3 4.34Å; M182-W216 HydrophobicContact CG-CZ3 4.42Å; M182-W216 HydrophobicContact SD-CE3 3.94Å; M182-W216 HydrophobicContact SD-CZ3 4.41Å; M182-V224 HydrophobicContact CE-CG1 4.36Å; M182-V224 HydrophobicContact SD-CB 4.45Å; M182-V224 HydrophobicContact SD-CG1 3.66Å; M182-V224 HydrophobicContact SD-CG2 3.87Å
183V98.6Very high95.6Very high0 Ų033.3 Ų33.30%016%0.16CC..EExtended strand (participates in β ladder)trans-128.2126.5172.2174.50000108.5V143 C149 L164 S170 V171 L181 I190 R191 Y193V143-V183 HydrophobicContact CG1-CG1 3.87Å; V143-V183 HydrophobicContact CG1-CG2 4.19Å; C149-V183 HydrophobicContact CB-CG2 4.18Å; L164-V183 HydrophobicContact CD1-CG1 4.01Å; L164-V183 HydrophobicContact CD2-CG1 3.96Å; S170-V183 WeakPolarHBondContact O-CA 3.41Å; V171-V183 HydrophobicContact CG2-CG2 4.31Å; L181-V183 HydrophobicContact CD2-CG2 4.11Å; L181-V183 HydrophobicContact CG-CG2 4.42Å; V183-I190 CarbonylContact O-C 3.51Å; V183-I190 WeakPolarHBondContact O-CA 3.36Å; V183-R191 PolarHBondContact N-O 3.36Å; V183-R191 PolarHBondContact O-N 2.99Å; V183-Y193 HydrophobicContact CB-CD2 4.25Å; V183-Y193 HydrophobicContact CB-CE2 3.88Å; V183-Y193 HydrophobicContact CG2-CD2 3.89Å; V183-Y193 HydrophobicContact CG2-CE2 3.88Å
184A98.5Very high95.6Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-104.1126.8175.300000110.3M169 S170 I190 L211 A214M169-A184 PolarHBondContact N-O 3.01Å; S170-A184 PolarHBondContact N-O 2.75Å; S170-A184 PolarHBondContact O-N 2.88Å; S170-A184 WeakPolarHBondContact OG-CB 3.47Å; A184-I190 HydrophobicContact CB-CG1 3.97Å; A184-I190 HydrophobicContact CB-CG2 4.46Å; A184-L211 HydrophobicContact CB-CD1 4.36Å; A184-L211 HydrophobicContact CB-CD2 3.4Å; A184-A214 HydrophobicContact CB-CB 3.73Å
185E98.6Very high95.5Very high0 Ų035.5 Ų35.50%017%0.173CC..EExtended strand (participates in β ladder)trans-101.4145.6-177.1-64.2-175-113.700110.4L164 H165 S166 P167 N187 G188 T189 R191L164-E185 HydrophobicContact CB-CG 4.42Å; H165-E185 WeakPolarHBondContact CA-OE2 3.24Å; H165-E185 PolarHBondContact N-OE2 2.99Å; S166-E185 PolarHBondContact N-OE2 2.83Å; P167-E185 WeakPolarHBondContact O-CA 3.33Å; E185-N187 WeakPolarHBondContact CB-OD1 3.36Å; E185-N187 PolarHBondContact O-N 3.25Å; E185-N187 VanDerWaalsContact O-N 3.1Å; E185-G188 PolarHBondContact O-N 3.02Å; E185-T189 WeakPolarHBondContact CB-O 3.41Å; E185-T189 PolarHBondContact N-O 3.15Å; E185-R191 WeakPolarHBondContact OE1-CD 3.39Å; E185-R191 IonicContact OE1-CZ 2.85Å; E185-R191 IonicContact OE1-NE 3.36Å; E185-R191 PolarHBondContact OE1-NE 2.96Å
186K98.3Very high95.7Very high78 Ų7840 Ų4034%0.33919%0.194SC..THydrogen-bonded Turntrans-60.1-24.6-176.2-166.9173.6-172.7168.10113.9P167 M169 G188 P210 L211P167-K186 HydrophobicContact CB-CB 4.1Å; P167-K186 HydrophobicContact CB-CD 4.08Å; P167-K186 HydrophobicContact CG-CD 4.15Å; P167-K186 WeakPolarHBondContact O-CB 3.48Å; P167-K186 PolarHBondContact O-N 2.88Å; M169-K186 HydrophobicContact CG-CB 3.73Å; M169-K186 HydrophobicContact CG-CG 4.23Å; M169-K186 HydrophobicContact SD-CB 4.06Å; M169-K186 HydrophobicContact SD-CD 4.05Å; M169-K186 HydrophobicContact SD-CG 4.16Å; K186-G188 PolarHBondContact O-N 2.8Å; K186-P210 HydrophobicContact CG-CB 3.86Å; K186-P210 WeakPolarHBondContact O-CA 3.5Å; K186-L211 PolarHBondContact O-N 3.26Å; K186-L211 VanDerWaalsContact O-N 3.16Å
187N97.9Very high95.8Very high58 Ų5835.7 Ų35.731%0.3118%0.182SC..THydrogen-bonded Turntrans-71.7-1.3175.467.8-4.1000114.2S166 E185 T189 V209S166-N187 PolarHBondContact OG-N 2.69Å; E185-N187 WeakPolarHBondContact CB-OD1 3.36Å; E185-N187 PolarHBondContact O-N 3.25Å; E185-N187 VanDerWaalsContact O-N 3.1Å; N187-T189 PolarHBondContact OD1-N 2.9Å; N187-T189 VanDerWaalsContact OD1-N 3.12Å; N187-V209 VanDerWaalsContact C-CG1 3.46Å; N187-V209 WeakPolarHBondContact O-CG1 3.34Å
188G97.5Very high95.8Very high1 Ų136.8 Ų36.81%0.0119%0.187CC..SBendtrans100.2-5.4175.800000115E185 K186 S206E185-G188 PolarHBondContact O-N 3.02Å; K186-G188 PolarHBondContact O-N 2.8Å; G188-S206 WeakPolarHBondContact CA-OG 3.23Å; G188-S206 WeakPolarHBondContact O-CB 3.31Å; G188-S206 PolarHBondContact O-N 3.4Å; G188-S206 PolarHBondContact O-OG 3.06Å
189T98.1Very high96.1Very high11 Ų1139.6 Ų39.67%0.06720%0.196CC..EExtended strand (participates in β ladder)trans-86.3134.2177.5-54.60000110.6E185 N187 R191 L204 E205E185-T189 WeakPolarHBondContact CB-O 3.41Å; E185-T189 PolarHBondContact N-O 3.15Å; N187-T189 PolarHBondContact OD1-N 2.9Å; N187-T189 VanDerWaalsContact OD1-N 3.12Å; T189-R191 HydrophobicContact CG2-CG 3.82Å; T189-L204 WeakPolarHBondContact CA-O 3.47Å; T189-E205 PolarHBondContact OG1-OE1 3.07Å; T189-E205 PolarHBondContact OG1-OE2 2.85Å
190I98.3Very high96.3Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-109118.7166.7-54.5176.8000107.4M182 V183 A184 F192 S203 L204 L211 A214 V224 A226 W235M182-I190 HydrophobicContact CG-CG2 3.37Å; M182-I190 HydrophobicContact SD-CG2 3.68Å; V183-I190 CarbonylContact O-C 3.51Å; V183-I190 WeakPolarHBondContact O-CA 3.36Å; A184-I190 HydrophobicContact CB-CG1 3.97Å; A184-I190 HydrophobicContact CB-CG2 4.46Å; I190-F192 HydrophobicContact CG2-CZ 4.4Å; I190-S203 CarbonylContact O-C 3.56Å; I190-S203 WeakPolarHBondContact O-CA 3.17Å; I190-L204 HydrophobicContact CB-CB 4.17Å; I190-L204 HydrophobicContact CB-CD1 4.47Å; I190-L204 HydrophobicContact CD1-CD1 4.46Å; I190-L204 PolarHBondContact N-O 2.94Å; I190-L204 PolarHBondContact O-N 3.18Å; I190-L211 HydrophobicContact CD1-CD1 3.97Å; I190-L211 HydrophobicContact CG1-CD1 3.7Å; I190-A214 HydrophobicContact CD1-CB 3.92Å; I190-V224 HydrophobicContact CD1-CG1 4.03Å; I190-A226 HydrophobicContact CD1-CB 4.34Å; I190-W235 HydrophobicContact CD1-CH2 3.93Å; I190-W235 HydrophobicContact CD1-CZ2 4.29Å; I190-W235 HydrophobicContact CD1-CZ3 4.1Å
191R97.6Very high96.3Very high58 Ų5839.6 Ų39.622%0.21921%0.207CC..EExtended strand (participates in β ladder)trans-105.2144.7178.3-65.5-174.8-175.7-116.1-7.2111H165 M182 V183 E185 T189 Y193H165-R191 VanDerWaalsContact CE1-CZ 3.48Å; H165-R191 PolarHBondContact CE1-NH2 3.02Å; H165-R191 PolarHBondContact ND1-NH2 3.16Å; H165-R191 VanDerWaalsContact ND1-NH2 3.12Å; M182-R191 CarbonylContact C-O 3.51Å; M182-R191 WeakPolarHBondContact CA-O 3.18Å; V183-R191 PolarHBondContact N-O 3.36Å; V183-R191 PolarHBondContact O-N 2.99Å; E185-R191 WeakPolarHBondContact OE1-CD 3.39Å; E185-R191 IonicContact OE1-CZ 2.85Å; E185-R191 IonicContact OE1-NE 3.36Å; E185-R191 PolarHBondContact OE1-NE 2.96Å; T189-R191 HydrophobicContact CG2-CG 3.82Å; R191-Y193 HydrophobicContact CB-CD2 4.31Å; R191-Y193 HydrophobicContact CB-CE2 3.63Å; R191-Y193 WeakPolarHBondContact CD-OH 3.45Å
192F97.2Very high96.1Very high1 Ų143.6 Ų43.60%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-106.7132168.2-55.6-77.8000108.9L181 M182 I190 A200 I201 L202 L204 W216 V224 I237L181-F192 CarbonylContact O-C 3.51Å; L181-F192 VanDerWaalsContact O-CA 3.3Å; L181-F192 WeakPolarHBondContact O-CA 3.32Å; M182-F192 HydrophobicContact CB-CD1 3.86Å; M182-F192 HydrophobicContact CB-CE1 3.83Å; M182-F192 HydrophobicContact CG-CD1 3.93Å; M182-F192 HydrophobicContact CG-CE1 3.53Å; M182-F192 HydrophobicContact CG-CZ 4.34Å; M182-F192 HydrophobicContact SD-CE1 3.86Å; M182-F192 HydrophobicContact SD-CZ 4.41Å; I190-F192 HydrophobicContact CG2-CZ 4.4Å; F192-A200 CarbonylContact O-C 3.58Å; F192-A200 VanDerWaalsContact O-CA 3.28Å; F192-A200 WeakPolarHBondContact O-CA 3.33Å; F192-I201 HydrophobicContact CB-CD1 4.3Å; F192-I201 HydrophobicContact CB-CG1 3.85Å; F192-I201 WeakPolarHBondContact O-CG1 3.49Å; F192-I201 PolarHBondContact O-N 3.35Å; F192-L202 HydrophobicContact CB-CB 4.48Å; F192-L202 HydrophobicContact CD2-CB 3.8Å; F192-L202 HydrophobicContact CD2-CD2 3.88Å; F192-L202 HydrophobicContact CD2-CG 3.9Å; F192-L202 HydrophobicContact CE2-CD2 3.92Å; F192-L202 HydrophobicContact CE2-CG 4.22Å; F192-L202 PolarHBondContact N-O 3.38Å; F192-L204 HydrophobicContact CE2-CD1 3.96Å; F192-L204 HydrophobicContact CE2-CD2 4.15Å; F192-L204 HydrophobicContact CE2-CG 3.72Å; F192-L204 HydrophobicContact CZ-CD1 3.81Å; F192-L204 HydrophobicContact CZ-CG 4.11Å; F192-W216 HydrophobicContact CD1-CE3 4.44Å; F192-W216 AromaticContact CD1-CH2 3.55Å; F192-W216 HydrophobicContact CD1-CH2 3.55Å; F192-W216 AromaticContact CD1-CZ3 3.32Å; F192-W216 HydrophobicContact CD1-CZ3 3.32Å; F192-W216 AromaticContact CE1-CE3 3.92Å; F192-W216 HydrophobicContact CE1-CE3 3.92Å; F192-W216 AromaticContact CE1-CH2 3.19Å; F192-W216 HydrophobicContact CE1-CH2 3.19Å; F192-W216 HydrophobicContact CE1-CZ2 4.27Å; F192-W216 AromaticContact CE1-CZ3 3.04Å; F192-W216 HydrophobicContact CE1-CZ3 3.04Å; F192-W216 HydrophobicContact CZ-CH2 4.03Å; F192-W216 HydrophobicContact CZ-CZ3 4.2Å; F192-V224 HydrophobicContact CE1-CG2 4.45Å; F192-V224 HydrophobicContact CZ-CG2 4.22Å; F192-I237 HydrophobicContact CZ-CG2 4.08Å
193Y97.2Very high96Very high9 Ų945.9 Ų45.94%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-113.4141.7178.3-66.7-89.3000110.1F162 L164 K180 L181 V183 R191 Q199 A200F162-Y193 HydrophobicContact CB-CD1 4.42Å; F162-Y193 HydrophobicContact CB-CE1 3.93Å; F162-Y193 AromaticContact CD1-CD1 3.51Å; F162-Y193 HydrophobicContact CD1-CD1 3.51Å; F162-Y193 AromaticContact CD1-CE1 3.69Å; F162-Y193 HydrophobicContact CD1-CE1 3.69Å; F162-Y193 HydrophobicContact CD1-CG 4.36Å; F162-Y193 HydrophobicContact CD2-CD1 4.29Å; F162-Y193 HydrophobicContact CD2-CG 4.41Å; F162-Y193 AromaticContact CE1-CD1 3.72Å; F162-Y193 HydrophobicContact CE1-CD1 3.72Å; F162-Y193 HydrophobicContact CE1-CE1 4.35Å; F162-Y193 HydrophobicContact CE1-CG 4.39Å; F162-Y193 HydrophobicContact CE2-CD1 4.46Å; F162-Y193 HydrophobicContact CE2-CG 4.44Å; F162-Y193 AromaticContact CG-CD1 3.81Å; F162-Y193 HydrophobicContact CG-CD1 3.81Å; F162-Y193 AromaticContact CG-CE1 3.83Å; F162-Y193 HydrophobicContact CG-CE1 3.83Å; F162-Y193 HydrophobicContact CG-CG 4.37Å; F162-Y193 HydrophobicContact CZ-CD1 4.2Å; F162-Y193 HydrophobicContact CZ-CG 4.43Å; L164-Y193 HydrophobicContact CD2-CE2 4.5Å; L164-Y193 WeakPolarHBondContact CD2-OH 3.15Å; K180-Y193 WeakPolarHBondContact CA-O 3.19Å; L181-Y193 PolarHBondContact N-O 3.37Å; L181-Y193 PolarHBondContact O-N 3.07Å; V183-Y193 HydrophobicContact CB-CD2 4.25Å; V183-Y193 HydrophobicContact CB-CE2 3.88Å; V183-Y193 HydrophobicContact CG2-CD2 3.89Å; V183-Y193 HydrophobicContact CG2-CE2 3.88Å; R191-Y193 HydrophobicContact CB-CD2 4.31Å; R191-Y193 HydrophobicContact CB-CE2 3.63Å; R191-Y193 WeakPolarHBondContact CD-OH 3.45Å; Y193-Q199 WeakPolarHBondContact CA-O 3.42Å; Y193-A200 HydrophobicContact CD1-CB 4.07Å; Y193-A200 HydrophobicContact CE1-CB 3.87Å
194D95.4Very high96Very high51 Ų5145.9 Ų45.927%0.27325%0.245SC..EExtended strand (participates in β ladder)trans-98.5118.8164.2-178.7-44.8000107.5L196 A197 Q198 Q199 I201D194-L196 WeakPolarHBondContact OD1-CA 3.23Å; D194-L196 VanDerWaalsContact OD1-CB 3.32Å; D194-L196 WeakPolarHBondContact OD1-CB 3.42Å; D194-L196 PolarHBondContact OD1-N 3.25Å; D194-A197 HydrophobicContact CB-CB 4.21Å; D194-A197 PolarHBondContact OD1-N 2.87Å; D194-Q198 VanDerWaalsContact O-CA 3.23Å; D194-Q198 WeakPolarHBondContact O-CA 3.35Å; D194-Q198 PolarHBondContact O-N 2.81Å; D194-Q199 PolarHBondContact N-O 3.4Å; D194-Q199 PolarHBondContact O-N 3.15Å; D194-I201 HydrophobicContact CB-CG2 3.71Å
195L93.6Very high96Very high16 Ų1649 Ų498%0.08426%0.259CS..THydrogen-bonded Turntrans-76.9-22.7-177.7-84.774.8000113.3I151 F162 W173 F179 L181 Q198I151-L195 HydrophobicContact CD1-CD2 4.14Å; I151-L195 HydrophobicContact CG1-CD2 3.87Å; I151-L195 HydrophobicContact CG1-CG 4.49Å; I151-L195 HydrophobicContact CG2-CD2 4.07Å; F162-L195 HydrophobicContact CE2-CG 4.5Å; F162-L195 HydrophobicContact CZ-CG 4.46Å; W173-L195 HydrophobicContact CH2-CD2 3.31Å; W173-L195 HydrophobicContact CZ2-CD2 4.41Å; W173-L195 HydrophobicContact CZ3-CD1 4.12Å; W173-L195 HydrophobicContact CZ3-CD2 3.59Å; W173-L195 HydrophobicContact CZ3-CG 4.47Å; F179-L195 HydrophobicContact CB-CB 4.01Å; F179-L195 HydrophobicContact CD1-CB 4.47Å; F179-L195 VanDerWaalsContact O-CD1 3.22Å; F179-L195 WeakPolarHBondContact O-CD1 3.41Å; F179-L195 PolarHBondContact O-N 3.14Å; L181-L195 HydrophobicContact CB-CD1 3.53Å; L181-L195 HydrophobicContact CD2-CD1 4.29Å; L181-L195 HydrophobicContact CG-CD1 4.5Å; L195-Q198 WeakPolarHBondContact O-CG 3.29Å
196L92Very high95.8Very high142 Ų14249 Ų4974%0.74326%0.259SS*.THydrogen-bonded Turntrans-73.3-45175-177.167000110.1D194 Q198D194-L196 WeakPolarHBondContact OD1-CA 3.23Å; D194-L196 VanDerWaalsContact OD1-CB 3.32Å; D194-L196 WeakPolarHBondContact OD1-CB 3.42Å; D194-L196 PolarHBondContact OD1-N 3.25Å; L196-Q198 VanDerWaalsContact C-N 3.34Å
197A93.4Very high95.5Very high49 Ų4951.4 Ų51.441%0.40527%0.271SS..THydrogen-bonded Turntrans-83.3-11177.100000113.5D194 Q199D194-A197 HydrophobicContact CB-CB 4.21Å; D194-A197 PolarHBondContact OD1-N 2.87Å; A197-Q199 VanDerWaalsContact C-N 3.28Å; A197-Q199 HydrophobicContact CB-CG 3.85Å; A197-Q199 PolarHBondContact O-N 2.9Å
198Q92.3Very high95.2Very high116 Ų11651 Ų5154%0.54227%0.268SS..THydrogen-bonded Turntrans48.745-175.6-60.5-170.46.900113.7F162 D194 L195 L196F162-Q198 HydrophobicContact CE1-CB 4.26Å; D194-Q198 VanDerWaalsContact O-CA 3.23Å; D194-Q198 WeakPolarHBondContact O-CA 3.35Å; D194-Q198 PolarHBondContact O-N 2.81Å; L195-Q198 WeakPolarHBondContact O-CG 3.29Å; L196-Q198 VanDerWaalsContact C-N 3.34Å
199Q92.7Very high95.1Very high115 Ų11555.5 Ų55.554%0.53730%0.295SS..EExtended strand (participates in β ladder)trans-143.4158.5-179.765.1-177-16.500112.4Y193 D194 A197Y193-Q199 WeakPolarHBondContact CA-O 3.42Å; D194-Q199 PolarHBondContact N-O 3.4Å; D194-Q199 PolarHBondContact O-N 3.15Å; A197-Q199 VanDerWaalsContact C-N 3.28Å; A197-Q199 HydrophobicContact CB-CG 3.85Å; A197-Q199 PolarHBondContact O-N 2.9Å
200A94.5Very high95Very high44 Ų4456.2 Ų56.236%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-72.3135.5169.200000110F192 Y193F192-A200 CarbonylContact O-C 3.58Å; F192-A200 VanDerWaalsContact O-CA 3.28Å; F192-A200 WeakPolarHBondContact O-CA 3.33Å; Y193-A200 HydrophobicContact CD1-CB 4.07Å; Y193-A200 HydrophobicContact CE1-CB 3.87Å
201I94.9Very high94.9Very high82 Ų8256.2 Ų56.242%0.42130%0.3SS..EExtended strand (participates in β ladder)trans-110.7-27.7-176.856170.6000113.4K180 F192 D194K180-I201 HydrophobicContact CD-CD1 4.4Å; K180-I201 HydrophobicContact CG-CD1 4.36Å; F192-I201 HydrophobicContact CB-CD1 4.3Å; F192-I201 HydrophobicContact CB-CG1 3.85Å; F192-I201 WeakPolarHBondContact O-CG1 3.49Å; F192-I201 PolarHBondContact O-N 3.35Å; D194-I201 HydrophobicContact CB-CG2 3.71Å
202L94.3Very high94.9Very high84 Ų8455.8 Ų55.844%0.4430%0.301SS..EExtended strand (participates in β ladder)trans-156.9156.7179.7175.969.3000109.7F192F192-L202 HydrophobicContact CB-CB 4.48Å; F192-L202 HydrophobicContact CD2-CB 3.8Å; F192-L202 HydrophobicContact CD2-CD2 3.88Å; F192-L202 HydrophobicContact CD2-CG 3.9Å; F192-L202 HydrophobicContact CE2-CD2 3.92Å; F192-L202 HydrophobicContact CE2-CG 4.22Å; F192-L202 PolarHBondContact N-O 3.38Å
203S96.4Very high94.9Very high48 Ų4855.9 Ų55.934%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-134.2153.2168.261.70000113.2I190I190-S203 CarbonylContact O-C 3.56Å; I190-S203 WeakPolarHBondContact O-CA 3.17Å
204L97.6Very high95Very high1 Ų155.6 Ų55.61%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-116151.8167.8-46.2173.9000109.2T189 I190 F192 V224 W235 I237 S241T189-L204 WeakPolarHBondContact CA-O 3.47Å; I190-L204 HydrophobicContact CB-CB 4.17Å; I190-L204 HydrophobicContact CB-CD1 4.47Å; I190-L204 HydrophobicContact CD1-CD1 4.46Å; I190-L204 PolarHBondContact N-O 2.94Å; I190-L204 PolarHBondContact O-N 3.18Å; F192-L204 HydrophobicContact CE2-CD1 3.96Å; F192-L204 HydrophobicContact CE2-CD2 4.15Å; F192-L204 HydrophobicContact CE2-CG 3.72Å; F192-L204 HydrophobicContact CZ-CD1 3.81Å; F192-L204 HydrophobicContact CZ-CG 4.11Å; L204-V224 HydrophobicContact CD1-CB 4.3Å; L204-V224 HydrophobicContact CD1-CG1 4.44Å; L204-V224 HydrophobicContact CD1-CG2 4.47Å; L204-W235 HydrophobicContact CD1-CB 4.03Å; L204-W235 HydrophobicContact CD1-CD2 4.11Å; L204-W235 HydrophobicContact CD1-CG 3.79Å; L204-I237 HydrophobicContact CD1-CG2 4.11Å; L204-I237 HydrophobicContact CD2-CG2 4.44Å; L204-S241 CarbonylContact C-O 3.59Å; L204-S241 WeakPolarHBondContact CA-O 3.42Å
205E97.6Very high95.1Very high64 Ų6454.9 Ų54.930%0.29930%0.296SS..EExtended strand (participates in β ladder)trans-117.9133.4176.1-63.6-59.6156.200109.9T189 W235 S241 Y242 P243T189-E205 PolarHBondContact OG1-OE1 3.07Å; T189-E205 PolarHBondContact OG1-OE2 2.85Å; E205-W235 PolarHBondContact O-NE1 3.03Å; E205-S241 PolarHBondContact N-O 2.97Å; E205-Y242 HydrophobicContact CB-CD1 4.38Å; E205-Y242 HydrophobicContact CB-CE1 4.23Å; E205-P243 WeakPolarHBondContact O-CD 3.43Å
206S95.6Very high95.2Very high1 Ų154.1 Ų54.11%0.00729%0.292CS..  trans-89.8-10178.557.20000114.6G188 Q208 L233G188-S206 WeakPolarHBondContact CA-OG 3.23Å; G188-S206 WeakPolarHBondContact O-CB 3.31Å; G188-S206 PolarHBondContact O-N 3.4Å; G188-S206 PolarHBondContact O-OG 3.06Å; S206-Q208 PolarHBondContact O-N 3.42Å; S206-Q208 PolarHBondContact OG-O 3.38Å; S206-L233 WeakPolarHBondContact O-CD2 3.44Å
207E92.3Very high95.4Very high128 Ų12847.3 Ų47.360%0.59826%0.256SS*.SBendtrans57.93.2-176.6-51.1-179.399.400114.5Y242E207-Y242 HydrophobicContact CG-CD1 3.82Å; E207-Y242 HydrophobicContact CG-CE1 4.19Å
208Q91.4Very high95.4Very high49 Ų4948.4 Ų48.423%0.22926%0.255CS..SBendtrans-139.7148.5-178.7-80.2-173.7-0.300110.1S206 A228 D231 K246S206-Q208 PolarHBondContact O-N 3.42Å; S206-Q208 PolarHBondContact OG-O 3.38Å; Q208-A228 HydrophobicContact CB-CB 3.97Å; Q208-A228 PolarHBondContact OE1-O 3.26Å; Q208-D231 PolarHBondContact NE2-OD2 2.94Å; Q208-D231 PolarHBondContact OE1-OD2 2.95Å; Q208-K246 VanDerWaalsContact CD-CE 3.41Å; Q208-K246 VanDerWaalsContact CD-NZ 3.33Å
209V94.1Very high95.5Very high97 Ų9748.9 Ų48.959%0.58826%0.255SS*.SBendtrans-137.2152-179.7-63.10000109.9N187N187-V209 VanDerWaalsContact C-CG1 3.46Å; N187-V209 WeakPolarHBondContact O-CG1 3.34Å
210P96.1Very high95.6Very high26 Ų2645.1 Ų45.117%0.16924%0.239CC..  cis-73.9142.2-7.931.7-33.8000111.1K186 M212 A228 G229K186-P210 HydrophobicContact CG-CB 3.86Å; K186-P210 WeakPolarHBondContact O-CA 3.5Å; P210-M212 HydrophobicContact CB-CG 4.49Å; P210-M212 HydrophobicContact CB-SD 3.83Å; P210-M212 HydrophobicContact CG-CG 4.18Å; P210-M212 HydrophobicContact CG-SD 3.73Å; P210-A228 CarbonylContact O-C 3.52Å; P210-A228 VanDerWaalsContact O-CA 3.26Å; P210-A228 WeakPolarHBondContact O-CA 3.44Å; P210-G229 PolarHBondContact O-N 2.88Å
211L97.7Very high95.6Very high0 Ų043.8 Ų43.80%023%0.226CC..EExtended strand (participates in β ladder)trans-75126.4161.6179.1154.6000107.6M169 A184 K186 I190 A226 A228M169-L211 HydrophobicContact CB-CD2 4.42Å; M169-L211 WeakPolarHBondContact CG-O 3.3Å; A184-L211 HydrophobicContact CB-CD1 4.36Å; A184-L211 HydrophobicContact CB-CD2 3.4Å; K186-L211 PolarHBondContact O-N 3.26Å; K186-L211 VanDerWaalsContact O-N 3.16Å; I190-L211 HydrophobicContact CD1-CD1 3.97Å; I190-L211 HydrophobicContact CG1-CD1 3.7Å; L211-A226 HydrophobicContact CD1-CB 4.35Å; L211-A228 HydrophobicContact CB-CB 4.07Å
212M96.5Very high95.6Very high49 Ų4944.8 Ų44.824%0.24123%0.228CC..EExtended strand (participates in β ladder)trans-109.5-28.3-171.3-67.6-57.6-56.100113.1M169 P210 V227 A254 C255M169-M212 HydrophobicContact CE-CE 3.8Å; M169-M212 HydrophobicContact CE-SD 4.35Å; P210-M212 HydrophobicContact CB-CG 4.49Å; P210-M212 HydrophobicContact CB-SD 3.83Å; P210-M212 HydrophobicContact CG-CG 4.18Å; P210-M212 HydrophobicContact CG-SD 3.73Å; M212-V227 HydrophobicContact CB-CG2 4.33Å; M212-V227 PolarHBondContact N-O 3.23Å; M212-A254 WeakPolarHBondContact CB-O 3.08Å; M212-A254 WeakPolarHBondContact CG-O 3.19Å; M212-C255 WeakPolarHBondContact CB-O 3.4Å
213S97.6Very high95.7Very high3 Ų342.2 Ų42.22%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-161.3140.1179.3-175.20000110.3A226 V227 C255 F257 R258S213-A226 CarbonylContact O-C 3.59Å; S213-A226 WeakPolarHBondContact O-CA 3.24Å; S213-A226 WeakPolarHBondContact O-CB 3.22Å; S213-V227 PolarHBondContact O-N 3.26Å; S213-C255 VanDerWaalsContact CB-O 3.25Å; S213-C255 WeakPolarHBondContact CB-O 3.09Å; S213-F257 PolarHBondContact OG-N 2.89Å; S213-R258 PolarHBondContact OG-NH1 3.02Å
214A98.2Very high95.7Very high2 Ų240 Ų402%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-131.5149.3167.100000110.6S170 M182 A184 I190 G225 A226S170-A214 WeakPolarHBondContact CB-O 3.28Å; S170-A214 PolarHBondContact OG-N 3.08Å; S170-A214 PolarHBondContact OG-O 3.36Å; M182-A214 HydrophobicContact CE-CB 3.86Å; A184-A214 HydrophobicContact CB-CB 3.73Å; I190-A214 HydrophobicContact CD1-CB 3.92Å; A214-G225 CarbonylContact C-O 3.57Å; A214-G225 VanDerWaalsContact CA-O 3.23Å; A214-G225 WeakPolarHBondContact CA-O 3.41Å; A214-A226 HydrophobicContact CB-CB 3.81Å
215H97.8Very high95.8Very high36 Ų3639.9 Ų39.917%0.16720%0.197CC..EExtended strand (participates in β ladder)trans-139.5138.4176.9-165.8-144.7000110.4G225 F257 W259H215-G225 PolarHBondContact N-O 3.36Å; H215-G225 PolarHBondContact O-N 2.84Å; H215-F257 HydrophobicContact CB-CD1 4.07Å; H215-W259 PolarHBondContact ND1-N 3.27Å; H215-W259 PolarHBondContact O-NE1 2.88Å; H215-W259 VanDerWaalsContact O-NE1 3.16Å
216W96.1Very high95.8Very high0 Ų036.9 Ų36.90%018%0.183CC..EExtended strand (participates in β ladder)trans-78.1138.1172.3-150.6-61.2000109.8H174 M182 F192 L218 T221 V224 I237 W259H174-W216 AromaticContact CD2-CE2 3.53Å; H174-W216 AromaticContact CD2-CH2 3.38Å; H174-W216 WeakPolarHBondContact CD2-CH2 3.43Å; H174-W216 AromaticContact CD2-CZ2 3.2Å; H174-W216 WeakPolarHBondContact CD2-CZ2 3.4Å; H174-W216 AromaticContact CD2-CZ3 3.78Å; H174-W216 AromaticContact NE2-CE2 3.81Å; H174-W216 AromaticContact NE2-CZ2 3.44Å; H174-W216 WeakPolarHBondContact NE2-CZ2 3.16Å; M182-W216 HydrophobicContact CB-CE3 3.73Å; M182-W216 HydrophobicContact CB-CZ3 3.81Å; M182-W216 HydrophobicContact CG-CE3 4.34Å; M182-W216 HydrophobicContact CG-CZ3 4.42Å; M182-W216 HydrophobicContact SD-CE3 3.94Å; M182-W216 HydrophobicContact SD-CZ3 4.41Å; F192-W216 HydrophobicContact CD1-CE3 4.44Å; F192-W216 AromaticContact CD1-CH2 3.55Å; F192-W216 HydrophobicContact CD1-CH2 3.55Å; F192-W216 AromaticContact CD1-CZ3 3.32Å; F192-W216 HydrophobicContact CD1-CZ3 3.32Å; F192-W216 AromaticContact CE1-CE3 3.92Å; F192-W216 HydrophobicContact CE1-CE3 3.92Å; F192-W216 AromaticContact CE1-CH2 3.19Å; F192-W216 HydrophobicContact CE1-CH2 3.19Å; F192-W216 HydrophobicContact CE1-CZ2 4.27Å; F192-W216 AromaticContact CE1-CZ3 3.04Å; F192-W216 HydrophobicContact CE1-CZ3 3.04Å; F192-W216 HydrophobicContact CZ-CH2 4.03Å; F192-W216 HydrophobicContact CZ-CZ3 4.2Å; W216-L218 PolarHBondContact O-N 3.23Å; W216-T221 VanDerWaalsContact CE2-O 3.26Å; W216-T221 VanDerWaalsContact CZ2-O 3.24Å; W216-T221 WeakPolarHBondContact CZ2-O 3.48Å; W216-T221 PolarHBondContact NE1-O 3.32Å; W216-V224 HydrophobicContact CD2-CG2 4.18Å; W216-I237 HydrophobicContact CH2-CD1 4.09Å; W216-I237 HydrophobicContact CZ2-CD1 3.54Å; W216-W259 VanDerWaalsContact C-CD1 3.49Å
217C96.3Very high95.9Very high0 Ų036.8 Ų36.80%018%0.182CC..  trans-77.4115.4174.6-175.30000110.6K219 N220 K223 W259C217-K219 PolarHBondContact O-N 3.23Å; C217-N220 WeakPolarHBondContact CB-O 3.39Å; C217-N220 CarbonylContact O-C 3.56Å; C217-N220 VanDerWaalsContact O-C 3.3Å; C217-N220 PolarHBondContact O-N 2.84Å; C217-N220 VanDerWaalsContact O-O 3.08Å; C217-K223 HydrophobicContact CB-CB 3.68Å; C217-K223 WeakPolarHBondContact CB-O 3.3Å; C217-K223 PolarHBondContact N-O 2.91Å; C217-W259 HydrophobicContact CB-CD2 3.91Å; C217-W259 HydrophobicContact CB-CG 3.89Å
218L92.5Very high96.1Very high72 Ų7230.7 Ų30.738%0.37715%0.154SC..THydrogen-bonded Turntrans-68.3-23.3-179.5-58.6-179.2000113.4P175 W216P175-L218 HydrophobicContact CB-CD2 3.94Å; P175-L218 HydrophobicContact CG-CD2 4.41Å; W216-L218 PolarHBondContact O-N 3.23Å
219K94.5Very high96.2Very high125 Ų12528.9 Ų28.954%0.54315%0.148SC..THydrogen-bonded Turntrans-91.4-15.2179.9-67.1-64.5175.5-175.80114C217 T261 E264C217-K219 PolarHBondContact O-N 3.23Å; K219-T261 WeakPolarHBondContact CE-O 3.22Å; K219-E264 HydrophobicContact CB-CB 3.91Å
220N95.5Very high96.2Very high37 Ų3727.3 Ų27.320%0.19814%0.136CC..  trans-148101.6175.5-178.2-19.9000108.8C217 F222 K223 E264C217-N220 WeakPolarHBondContact CB-O 3.39Å; C217-N220 CarbonylContact O-C 3.56Å; C217-N220 VanDerWaalsContact O-C 3.3Å; C217-N220 PolarHBondContact O-N 2.84Å; C217-N220 VanDerWaalsContact O-O 3.08Å; N220-F222 PolarHBondContact O-N 3.26Å; N220-F222 WeakPolarHBondContact OD1-CB 3.38Å; N220-F222 PolarHBondContact OD1-N 3.09Å; N220-K223 HydrophobicContact CB-CB 4.5Å; N220-K223 HydrophobicContact CB-CD 4.16Å; N220-K223 HydrophobicContact CB-CG 4.4Å; N220-K223 PolarHBondContact O-N 2.86Å; N220-E264 HydrophobicContact CB-CB 3.86Å; N220-E264 WeakPolarHBondContact CB-OE2 3.27Å; N220-E264 PolarHBondContact ND2-OE2 3.44Å
221T94.2Very high96.2Very high15 Ų1527.1 Ų27.19%0.09213%0.134CC..THydrogen-bonded Turntrans-66.6-7.7-174.857.80000113.9P175 E176 W216 I237P175-T221 HydrophobicContact CG-CG2 3.52Å; E176-T221 VanDerWaalsContact CD-CG2 3.44Å; E176-T221 HydrophobicContact CG-CG2 3.89Å; W216-T221 VanDerWaalsContact CE2-O 3.26Å; W216-T221 VanDerWaalsContact CZ2-O 3.24Å; W216-T221 WeakPolarHBondContact CZ2-O 3.48Å; W216-T221 PolarHBondContact NE1-O 3.32Å; T221-I237 WeakPolarHBondContact O-CD1 3.47Å
222F94.7Very high96.1Very high104 Ų10427.4 Ų27.446%0.45614%0.135SC..THydrogen-bonded Turntrans-85.3-14.9171.3-54.2-53000113.4N220 D236 I237 T238N220-F222 PolarHBondContact O-N 3.26Å; N220-F222 WeakPolarHBondContact OD1-CB 3.38Å; N220-F222 PolarHBondContact OD1-N 3.09Å; F222-D236 CarbonylContact O-C 3.55Å; F222-D236 WeakPolarHBondContact O-CA 3.35Å; F222-I237 HydrophobicContact CB-CG1 4.41Å; F222-I237 HydrophobicContact CD1-CD1 4.46Å; F222-I237 HydrophobicContact CD1-CG1 4.34Å; F222-I237 PolarHBondContact O-N 3.12Å; F222-T238 HydrophobicContact CB-CG2 4.2Å; F222-T238 HydrophobicContact CD1-CG2 3.24Å; F222-T238 HydrophobicContact CE1-CG2 3.67Å; F222-T238 HydrophobicContact CG-CG2 3.76Å; F222-T238 HydrophobicContact CZ-CG2 4.48Å
223K96.7Very high96.2Very high30 Ų3025 Ų2513%0.1312%0.123CC..EExtended strand (participates in β ladder)trans-95.2127.8-176.3-75.6177.6177.1166.90112.4C217 N220 W235 W259 E264 N265C217-K223 HydrophobicContact CB-CB 3.68Å; C217-K223 WeakPolarHBondContact CB-O 3.3Å; C217-K223 PolarHBondContact N-O 2.91Å; N220-K223 HydrophobicContact CB-CB 4.5Å; N220-K223 HydrophobicContact CB-CD 4.16Å; N220-K223 HydrophobicContact CB-CG 4.4Å; N220-K223 PolarHBondContact O-N 2.86Å; K223-W235 WeakPolarHBondContact CA-O 3.26Å; K223-W259 HydrophobicContact CB-CZ2 4.3Å; K223-W259 HydrophobicContact CD-CH2 4.42Å; K223-E264 PolarHBondContact NZ-O 2.78Å; K223-E264 IonicContact NZ-OE2 3.96Å; K223-E264 PolarHBondContact NZ-OE2 2.8Å; K223-N265 PolarHBondContact NZ-OD1 3.29Å
224V97.8Very high96.2Very high0 Ų025.1 Ų25.10%012%0.124CC..EExtended strand (participates in β ladder)trans-117.2139165.5174.70000107.9M182 I190 F192 L204 W216 I234 W235 I237M182-V224 HydrophobicContact CE-CG1 4.36Å; M182-V224 HydrophobicContact SD-CB 4.45Å; M182-V224 HydrophobicContact SD-CG1 3.66Å; M182-V224 HydrophobicContact SD-CG2 3.87Å; I190-V224 HydrophobicContact CD1-CG1 4.03Å; F192-V224 HydrophobicContact CE1-CG2 4.45Å; F192-V224 HydrophobicContact CZ-CG2 4.22Å; L204-V224 HydrophobicContact CD1-CB 4.3Å; L204-V224 HydrophobicContact CD1-CG1 4.44Å; L204-V224 HydrophobicContact CD1-CG2 4.47Å; W216-V224 HydrophobicContact CD2-CG2 4.18Å; V224-I234 WeakPolarHBondContact O-CA 3.44Å; V224-W235 HydrophobicContact CB-CE3 4.48Å; V224-W235 HydrophobicContact CG1-CE3 4.3Å; V224-W235 PolarHBondContact N-O 2.82Å; V224-W235 PolarHBondContact O-N 2.8Å; V224-I237 HydrophobicContact CG2-CG2 3.86Å
225G98Very high96.2Very high0 Ų025 Ų250%012%0.123CC..EExtended strand (participates in β ladder)trans-124145.8174.700000110.5A214 H215 L233 W259A214-G225 CarbonylContact C-O 3.57Å; A214-G225 VanDerWaalsContact CA-O 3.23Å; A214-G225 WeakPolarHBondContact CA-O 3.41Å; H215-G225 PolarHBondContact N-O 3.36Å; H215-G225 PolarHBondContact O-N 2.84Å; G225-L233 CarbonylContact C-O 3.54Å; G225-L233 VanDerWaalsContact CA-O 3.3Å; G225-L233 WeakPolarHBondContact CA-O 3.47Å; G225-W259 VanDerWaalsContact N-NE1 3.16Å
226A98.3Very high96.1Very high0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans-149.4169-179.600000112I190 L211 S213 A214 W232 L233 W235I190-A226 HydrophobicContact CD1-CB 4.34Å; L211-A226 HydrophobicContact CD1-CB 4.35Å; S213-A226 CarbonylContact O-C 3.59Å; S213-A226 WeakPolarHBondContact O-CA 3.24Å; S213-A226 WeakPolarHBondContact O-CB 3.22Å; A214-A226 HydrophobicContact CB-CB 3.81Å; A226-W232 CarbonylContact O-C 3.58Å; A226-W232 VanDerWaalsContact O-CA 3.29Å; A226-W232 WeakPolarHBondContact O-CA 3.41Å; A226-L233 PolarHBondContact N-O 3.31Å; A226-L233 PolarHBondContact O-N 2.83Å; A226-W235 HydrophobicContact CB-CH2 3.76Å; A226-W235 HydrophobicContact CB-CZ3 3.5Å
227V97.3Very high96Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-121.4131.4164.7-76.80000109.8M212 S213 D231 W232 A254 F257 T269M212-V227 HydrophobicContact CB-CG2 4.33Å; M212-V227 PolarHBondContact N-O 3.23Å; S213-V227 PolarHBondContact O-N 3.26Å; V227-D231 WeakPolarHBondContact CA-O 3.47Å; V227-W232 HydrophobicContact CG1-CB 4.09Å; V227-A254 HydrophobicContact CB-CB 3.56Å; V227-A254 HydrophobicContact CG1-CB 3.62Å; V227-A254 HydrophobicContact CG2-CB 4.2Å; V227-F257 HydrophobicContact CG1-CB 4.06Å; V227-F257 HydrophobicContact CG1-CD2 4.16Å; V227-F257 HydrophobicContact CG2-CB 4.07Å; V227-T269 HydrophobicContact CG1-CG2 3.92Å
228A96.8Very high95.8Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-140.6135.9174.400000109.7Q208 P210 L211 N230 D231 L233Q208-A228 HydrophobicContact CB-CB 3.97Å; Q208-A228 PolarHBondContact OE1-O 3.26Å; P210-A228 CarbonylContact O-C 3.52Å; P210-A228 VanDerWaalsContact O-CA 3.26Å; P210-A228 WeakPolarHBondContact O-CA 3.44Å; L211-A228 HydrophobicContact CB-CB 4.07Å; A228-N230 PolarHBondContact O-N 2.77Å; A228-N230 VanDerWaalsContact O-N 3.07Å; A228-D231 PolarHBondContact N-O 2.8Å; A228-D231 PolarHBondContact O-N 2.86Å; A228-L233 HydrophobicContact CB-CD1 3.6Å
229G94.5Very high95.9Very high11 Ų1135.1 Ų35.111%0.11317%0.168CC..THydrogen-bonded Turntrans55.2-115.8-170.900000111.4P210 R253 A254P210-G229 PolarHBondContact O-N 2.88Å; G229-R253 VanDerWaalsContact O-CA 3.26Å; G229-R253 WeakPolarHBondContact O-CA 3.35Å; G229-A254 PolarHBondContact O-N 3.39Å
230N93.8Very high95.7Very high63 Ų6331.4 Ų31.434%0.33716%0.157SC..THydrogen-bonded Turntrans-108.10.5-178.2-73.25000113.2A228 V249 H250 M251 R253A228-N230 PolarHBondContact O-N 2.77Å; A228-N230 VanDerWaalsContact O-N 3.07Å; N230-V249 WeakPolarHBondContact O-CG1 3.2Å; N230-V249 PolarHBondContact O-N 2.88Å; N230-H250 VanDerWaalsContact CB-O 3.23Å; N230-H250 WeakPolarHBondContact CB-O 3.43Å; N230-H250 VanDerWaalsContact CG-O 3.31Å; N230-H250 PolarHBondContact O-N 3.09Å; N230-M251 PolarHBondContact ND2-O 2.9Å; N230-R253 WeakPolarHBondContact OD1-CA 3.38Å; N230-R253 PolarHBondContact OD1-N 2.82Å
231D95.4Very high95.7Very high22 Ų2232 Ų3212%0.11816%0.164CC..EExtended strand (participates in β ladder)trans-111.8152-170-60.7-7.4000110.6Q208 V227 A228 K246 R247 P248Q208-D231 PolarHBondContact NE2-OD2 2.94Å; Q208-D231 PolarHBondContact OE1-OD2 2.95Å; V227-D231 WeakPolarHBondContact CA-O 3.47Å; A228-D231 PolarHBondContact N-O 2.8Å; A228-D231 PolarHBondContact O-N 2.86Å; D231-K246 HydrophobicContact CB-CG 4.2Å; D231-K246 WeakPolarHBondContact OD2-CE 3.26Å; D231-R247 CarbonylContact C-O 3.58Å; D231-R247 WeakPolarHBondContact CA-O 3.27Å; D231-R247 WeakPolarHBondContact CB-O 3.36Å; D231-P248 VanDerWaalsContact OD1-CA 3.26Å; D231-P248 WeakPolarHBondContact OD1-CA 3.37Å
232W96.4Very high95.7Very high6 Ų636.8 Ų36.82%0.02318%0.182CC..EExtended strand (participates in β ladder)trans-95.1150.2157.861.6-111.7000109.9A226 V227 I234 N245 K246 R247 V249 F257 F267 T269 H283 L285A226-W232 CarbonylContact O-C 3.58Å; A226-W232 VanDerWaalsContact O-CA 3.29Å; A226-W232 WeakPolarHBondContact O-CA 3.41Å; V227-W232 HydrophobicContact CG1-CB 4.09Å; W232-I234 HydrophobicContact CE3-CD1 4.32Å; W232-I234 HydrophobicContact CE3-CG1 3.73Å; W232-I234 HydrophobicContact CZ3-CB 4.5Å; W232-I234 HydrophobicContact CZ3-CG1 3.56Å; W232-N245 HydrophobicContact CH2-CB 4.17Å; W232-N245 HydrophobicContact CZ3-CB 3.71Å; W232-K246 WeakPolarHBondContact O-CA 3.43Å; W232-R247 HydrophobicContact CD2-CB 4.3Å; W232-R247 HydrophobicContact CH2-CB 4.28Å; W232-R247 HydrophobicContact CH2-CG 3.89Å; W232-R247 HydrophobicContact CZ2-CB 3.68Å; W232-R247 HydrophobicContact CZ2-CG 3.63Å; W232-R247 PolarHBondContact N-O 3.32Å; W232-R247 PolarHBondContact O-N 3.18Å; W232-R247 VanDerWaalsContact O-N 3.11Å; W232-V249 HydrophobicContact CB-CG1 4.38Å; W232-V249 HydrophobicContact CG-CB 4.5Å; W232-F257 HydrophobicContact CB-CD2 4.32Å; W232-F257 HydrophobicContact CB-CE2 4.34Å; W232-F267 HydrophobicContact CB-CE2 4.45Å; W232-F267 HydrophobicContact CD2-CE2 4.07Å; W232-F267 AromaticContact CD2-CZ 3.88Å; W232-F267 HydrophobicContact CD2-CZ 3.88Å; W232-F267 AromaticContact CE2-CZ 3.8Å; W232-F267 HydrophobicContact CE3-CZ 4.14Å; W232-F267 AromaticContact CG-CE2 4Å; W232-F267 HydrophobicContact CG-CE2 4Å; W232-F267 HydrophobicContact CG-CZ 4.29Å; W232-F267 HydrophobicContact CH2-CZ 4.3Å; W232-F267 HydrophobicContact CZ2-CZ 4.01Å; W232-F267 HydrophobicContact CZ3-CZ 4.36Å; W232-T269 HydrophobicContact CB-CG2 4.38Å; W232-H283 AromaticContact CD1-NE2 3.94Å; W232-H283 AromaticContact NE1-CD2 3.61Å; W232-H283 AromaticContact NE1-NE2 3.52Å; W232-L285 HydrophobicContact CH2-CD2 4.33Å; W232-L285 HydrophobicContact CZ3-CD2 4.49Å
233L97.6Very high95.7Very high0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-133.1141-175.4-52.7105.1000109.7S206 G225 A226 A228 W235 P243 N245 K246S206-L233 WeakPolarHBondContact O-CD2 3.44Å; G225-L233 CarbonylContact C-O 3.54Å; G225-L233 VanDerWaalsContact CA-O 3.3Å; G225-L233 WeakPolarHBondContact CA-O 3.47Å; A226-L233 PolarHBondContact N-O 3.31Å; A226-L233 PolarHBondContact O-N 2.83Å; A228-L233 HydrophobicContact CB-CD1 3.6Å; L233-W235 HydrophobicContact CB-CE3 4.24Å; L233-W235 HydrophobicContact CB-CH2 3.39Å; L233-W235 HydrophobicContact CB-CZ2 4.14Å; L233-W235 HydrophobicContact CB-CZ3 3.44Å; L233-W235 VanDerWaalsContact CB-CZ3 3.44Å; L233-W235 HydrophobicContact CD1-CH2 4.32Å; L233-W235 HydrophobicContact CD2-CH2 4.27Å; L233-W235 HydrophobicContact CD2-CZ2 4.45Å; L233-W235 HydrophobicContact CG-CH2 4.19Å; L233-W235 WeakPolarHBondContact O-CZ3 3.33Å; L233-P243 HydrophobicContact CB-CB 4.17Å; L233-P243 HydrophobicContact CB-CG 4.29Å; L233-P243 HydrophobicContact CD2-CB 4.11Å; L233-P243 HydrophobicContact CD2-CG 3.51Å; L233-N245 CarbonylContact C-O 3.59Å; L233-N245 WeakPolarHBondContact CA-O 3.48Å; L233-K246 HydrophobicContact CD2-CD 4.21Å; L233-K246 HydrophobicContact CD2-CG 4.3Å
234I97.6Very high95.6Very high5 Ų535.2 Ų35.23%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-131.5131.7175.6-53-62.3000109.3V224 W232 P243 Q244 N245 F257 W259 L285V224-I234 WeakPolarHBondContact O-CA 3.44Å; W232-I234 HydrophobicContact CE3-CD1 4.32Å; W232-I234 HydrophobicContact CE3-CG1 3.73Å; W232-I234 HydrophobicContact CZ3-CB 4.5Å; W232-I234 HydrophobicContact CZ3-CG1 3.56Å; I234-P243 CarbonylContact O-C 3.43Å; I234-Q244 PolarHBondContact O-N 2.87Å; I234-N245 HydrophobicContact CB-CB 4.26Å; I234-N245 PolarHBondContact N-O 2.88Å; I234-N245 PolarHBondContact O-N 2.91Å; I234-F257 HydrophobicContact CD1-CE2 3.77Å; I234-F257 HydrophobicContact CD1-CZ 3.51Å; I234-W259 HydrophobicContact CD1-CH2 3.57Å; I234-W259 HydrophobicContact CD1-CZ2 3.34Å; I234-W259 HydrophobicContact CG1-CH2 4.31Å; I234-W259 HydrophobicContact CG1-CZ2 4.34Å; I234-W259 HydrophobicContact CG2-CH2 4.17Å; I234-W259 HydrophobicContact CG2-CZ2 4.01Å; I234-L285 HydrophobicContact CG1-CD2 4.19Å
235W97.6Very high95.3Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-110.9150.9174.7-64-106.5000110.2I190 L204 E205 K223 V224 A226 L233 S241 P243I190-W235 HydrophobicContact CD1-CH2 3.93Å; I190-W235 HydrophobicContact CD1-CZ2 4.29Å; I190-W235 HydrophobicContact CD1-CZ3 4.1Å; L204-W235 HydrophobicContact CD1-CB 4.03Å; L204-W235 HydrophobicContact CD1-CD2 4.11Å; L204-W235 HydrophobicContact CD1-CG 3.79Å; E205-W235 PolarHBondContact O-NE1 3.03Å; K223-W235 WeakPolarHBondContact CA-O 3.26Å; V224-W235 HydrophobicContact CB-CE3 4.48Å; V224-W235 HydrophobicContact CG1-CE3 4.3Å; V224-W235 PolarHBondContact N-O 2.82Å; V224-W235 PolarHBondContact O-N 2.8Å; A226-W235 HydrophobicContact CB-CH2 3.76Å; A226-W235 HydrophobicContact CB-CZ3 3.5Å; L233-W235 HydrophobicContact CB-CE3 4.24Å; L233-W235 HydrophobicContact CB-CH2 3.39Å; L233-W235 HydrophobicContact CB-CZ2 4.14Å; L233-W235 HydrophobicContact CB-CZ3 3.44Å; L233-W235 VanDerWaalsContact CB-CZ3 3.44Å; L233-W235 HydrophobicContact CD1-CH2 4.32Å; L233-W235 HydrophobicContact CD2-CH2 4.27Å; L233-W235 HydrophobicContact CD2-CZ2 4.45Å; L233-W235 HydrophobicContact CG-CH2 4.19Å; L233-W235 WeakPolarHBondContact O-CZ3 3.33Å; W235-S241 PolarHBondContact NE1-O 2.9Å; W235-P243 HydrophobicContact CD2-CB 4.34Å; W235-P243 HydrophobicContact CD2-CG 4.47Å; W235-P243 HydrophobicContact CZ2-CB 4.39Å; W235-P243 HydrophobicContact CZ2-CG 3.74Å
236D95.7Very high95.2Very high23 Ų2342.4 Ų42.412%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-108.2110.2152175.7-22.2000105.9F222 T238 R239 S240F222-D236 CarbonylContact O-C 3.55Å; F222-D236 WeakPolarHBondContact O-CA 3.35Å; D236-T238 PolarHBondContact O-N 3.26Å; D236-T238 VanDerWaalsContact O-N 3.08Å; D236-T238 WeakPolarHBondContact OD1-CB 3.42Å; D236-T238 PolarHBondContact OD1-N 3.29Å; D236-T238 PolarHBondContact OD1-OG1 2.99Å; D236-R239 HydrophobicContact CB-CB 4.4Å; D236-R239 HydrophobicContact CB-CG 4.4Å; D236-R239 PolarHBondContact O-N 2.84Å; D236-R239 VanDerWaalsContact O-N 3.09Å; D236-R239 WeakPolarHBondContact OD2-CD 3.17Å; D236-R239 IonicContact OD2-CZ 2.75Å; D236-R239 IonicContact OD2-NE 3.81Å; D236-R239 PolarHBondContact OD2-NE 3.1Å; D236-R239 VanDerWaalsContact OD2-NE 3.07Å; D236-S240 PolarHBondContact O-N 3.47Å
237I93.9Very high95Very high26 Ų2646.6 Ų46.613%0.13323%0.229CC..THydrogen-bonded Turntrans-63.5-15.8-172.470.1-173.6000113F192 L204 W216 T221 F222 V224F192-I237 HydrophobicContact CZ-CG2 4.08Å; L204-I237 HydrophobicContact CD1-CG2 4.11Å; L204-I237 HydrophobicContact CD2-CG2 4.44Å; W216-I237 HydrophobicContact CH2-CD1 4.09Å; W216-I237 HydrophobicContact CZ2-CD1 3.54Å; T221-I237 WeakPolarHBondContact O-CD1 3.47Å; F222-I237 HydrophobicContact CB-CG1 4.41Å; F222-I237 HydrophobicContact CD1-CD1 4.46Å; F222-I237 HydrophobicContact CD1-CG1 4.34Å; F222-I237 PolarHBondContact O-N 3.12Å; V224-I237 HydrophobicContact CG2-CG2 3.86Å
238T93.8Very high94.8Very high89 Ų8951.7 Ų51.755%0.54626%0.262SS..THydrogen-bonded Turntrans-85.2-13.6179.8700000113F222 D236F222-T238 HydrophobicContact CB-CG2 4.2Å; F222-T238 HydrophobicContact CD1-CG2 3.24Å; F222-T238 HydrophobicContact CE1-CG2 3.67Å; F222-T238 HydrophobicContact CG-CG2 3.76Å; F222-T238 HydrophobicContact CZ-CG2 4.48Å; D236-T238 PolarHBondContact O-N 3.26Å; D236-T238 VanDerWaalsContact O-N 3.08Å; D236-T238 WeakPolarHBondContact OD1-CB 3.42Å; D236-T238 PolarHBondContact OD1-N 3.29Å; D236-T238 PolarHBondContact OD1-OG1 2.99Å
239R93.3Very high94.5Very high181 Ų18152.3 Ų52.368%0.68327%0.265SS*.THydrogen-bonded Turntrans-112.2-38.8-168.1-70.8177.5-179.5-158.89.9114D236D236-R239 HydrophobicContact CB-CB 4.4Å; D236-R239 HydrophobicContact CB-CG 4.4Å; D236-R239 PolarHBondContact O-N 2.84Å; D236-R239 VanDerWaalsContact O-N 3.09Å; D236-R239 WeakPolarHBondContact OD2-CD 3.17Å; D236-R239 IonicContact OD2-CZ 2.75Å; D236-R239 IonicContact OD2-NE 3.81Å; D236-R239 PolarHBondContact OD2-NE 3.1Å; D236-R239 VanDerWaalsContact OD2-NE 3.07Å
240S91.9Very high94.2Very high47 Ų4752.1 Ų52.133%0.32926%0.262SS..  trans-158.3147.7-176.6-175.80000111.5D236 Y242D236-S240 PolarHBondContact O-N 3.47Å; S240-Y242 PolarHBondContact O-N 2.77Å; S240-Y242 PolarHBondContact OG-N 3.4Å; S240-Y242 PolarHBondContact OG-O 2.9Å
241S94.4Very high93.7Very high49 Ų4956.6 Ų56.634%0.34328%0.283SS..SBendtrans-72.4-11.116656.40000112.8L204 E205 W235L204-S241 CarbonylContact C-O 3.59Å; L204-S241 WeakPolarHBondContact CA-O 3.42Å; E205-S241 PolarHBondContact N-O 2.97Å; W235-S241 PolarHBondContact NE1-O 2.9Å
242Y94.8Very high93Very high116 Ų11661.7 Ų61.746%0.45531%0.31SS..SBendtrans-103.3154.6178.5-61.3-82.3000111.9E205 E207 S240E205-Y242 HydrophobicContact CB-CD1 4.38Å; E205-Y242 HydrophobicContact CB-CE1 4.23Å; E207-Y242 HydrophobicContact CG-CD1 3.82Å; E207-Y242 HydrophobicContact CG-CE1 4.19Å; S240-Y242 PolarHBondContact O-N 2.77Å; S240-Y242 PolarHBondContact OG-N 3.4Å; S240-Y242 PolarHBondContact OG-O 2.9Å
243P95.1Very high92.6Very high23 Ų2368.1 Ų68.115%0.14933%0.334CS..  trans-63.1139.1-177.6-1427000111.2E205 L233 I234 W235E205-P243 WeakPolarHBondContact O-CD 3.43Å; L233-P243 HydrophobicContact CB-CB 4.17Å; L233-P243 HydrophobicContact CB-CG 4.29Å; L233-P243 HydrophobicContact CD2-CB 4.11Å; L233-P243 HydrophobicContact CD2-CG 3.51Å; I234-P243 CarbonylContact O-C 3.43Å; W235-P243 HydrophobicContact CD2-CB 4.34Å; W235-P243 HydrophobicContact CD2-CG 4.47Å; W235-P243 HydrophobicContact CZ2-CB 4.39Å; W235-P243 HydrophobicContact CZ2-CG 3.74Å
244Q92.9Very high92.3Very high79 Ų7968.1 Ų68.137%0.36933%0.334SS..SBendtrans-83.3-34.1172.1-66.7-163.4-12.300112.5I234I234-Q244 PolarHBondContact O-N 2.87Å
245N92.8Very high92.1Very high71 Ų7169 Ų6938%0.3834%0.34SS..EExtended strand (participates in β ladder)trans-126.3138.7175.1-58.5137.6000109.2W232 L233 I234W232-N245 HydrophobicContact CH2-CB 4.17Å; W232-N245 HydrophobicContact CZ3-CB 3.71Å; L233-N245 CarbonylContact C-O 3.59Å; L233-N245 WeakPolarHBondContact CA-O 3.48Å; I234-N245 HydrophobicContact CB-CB 4.26Å; I234-N245 PolarHBondContact N-O 2.88Å; I234-N245 PolarHBondContact O-N 2.91Å
246K94.5Very high92Very high80 Ų8071 Ų7135%0.34835%0.351SS..EExtended strand (participates in β ladder)trans-147.2126.4177.9177.7176.6178.81710107.8Q208 D231 W232 L233Q208-K246 VanDerWaalsContact CD-CE 3.41Å; Q208-K246 VanDerWaalsContact CD-NZ 3.33Å; D231-K246 HydrophobicContact CB-CG 4.2Å; D231-K246 WeakPolarHBondContact OD2-CE 3.26Å; W232-K246 WeakPolarHBondContact O-CA 3.43Å; L233-K246 HydrophobicContact CD2-CD 4.21Å; L233-K246 HydrophobicContact CD2-CG 4.3Å
247R94.2Very high92.1Very high88 Ų8869.9 Ų69.933%0.33235%0.345SS..EExtended strand (participates in β ladder)trans-143.7145.9175.6-62.2-166.1-175.3154.11.7111.3D231 W232 H287 P288D231-R247 CarbonylContact C-O 3.58Å; D231-R247 WeakPolarHBondContact CA-O 3.27Å; D231-R247 WeakPolarHBondContact CB-O 3.36Å; W232-R247 HydrophobicContact CD2-CB 4.3Å; W232-R247 HydrophobicContact CH2-CB 4.28Å; W232-R247 HydrophobicContact CH2-CG 3.89Å; W232-R247 HydrophobicContact CZ2-CB 3.68Å; W232-R247 HydrophobicContact CZ2-CG 3.63Å; W232-R247 PolarHBondContact N-O 3.32Å; W232-R247 PolarHBondContact O-N 3.18Å; W232-R247 VanDerWaalsContact O-N 3.11Å; R247-H287 PolarHBondContact NH1-O 2.75Å; R247-P288 PolarHBondContact NH1-O 2.91Å; R247-P288 VanDerWaalsContact NH1-O 3.09Å
248P92.9Very high92.3Very high106 Ų10671.1 Ų71.169%0.68835%0.348SS*.EExtended strand (participates in β ladder)trans-64.4141.9170.928.6-34.5000110.2D231D231-P248 VanDerWaalsContact OD1-CA 3.26Å; D231-P248 WeakPolarHBondContact OD1-CA 3.37Å
249V91.4Very high92.5Very high13 Ų1367 Ų678%0.07932%0.322CS..  trans-133.5-46.5-175.1620000113.7N230 W232 A254 T269 Q281 H283N230-V249 WeakPolarHBondContact O-CG1 3.2Å; N230-V249 PolarHBondContact O-N 2.88Å; W232-V249 HydrophobicContact CB-CG1 4.38Å; W232-V249 HydrophobicContact CG-CB 4.5Å; V249-A254 HydrophobicContact CG1-CB 3.94Å; V249-T269 WeakPolarHBondContact CG2-OG1 3.35Å; V249-Q281 PolarHBondContact O-NE2 3.22Å; V249-H283 VanDerWaalsContact CG2-CE1 3.43Å; V249-H283 WeakPolarHBondContact CG2-CE1 3.4Å
250H88.6Confident92.6Very high8 Ų858.4 Ų58.44%0.03729%0.29CS..  trans-127.4135.1-175.9-67.4-68.1000109.5N230 D252 R253 A254 T269 T270 G271N230-H250 VanDerWaalsContact CB-O 3.23Å; N230-H250 WeakPolarHBondContact CB-O 3.43Å; N230-H250 VanDerWaalsContact CG-O 3.31Å; N230-H250 PolarHBondContact O-N 3.09Å; H250-D252 PolarHBondContact O-N 3.29Å; H250-R253 WeakPolarHBondContact CB-O 3.44Å; H250-A254 HydrophobicContact CB-CB 4.39Å; H250-T269 PolarHBondContact NE2-OG1 3.21Å; H250-T270 PolarHBondContact CD2-O 2.77Å; H250-T270 VanDerWaalsContact NE2-C 3.26Å; H250-T270 PolarHBondContact NE2-O 3.48Å; H250-G271 PolarHBondContact CE1-N 2.8Å; H250-G271 VanDerWaalsContact CE1-N 3.28Å; H250-G271 VanDerWaalsContact CG-CA 3.46Å; H250-G271 PolarHBondContact NE2-N 2.92Å
251M84Confident92.7Very high157 Ų15757.2 Ų57.277%0.77328%0.281SS*.THydrogen-bonded Turntrans-66.4-38-176.3-69.8-68-65.200112.5N230N230-M251 PolarHBondContact ND2-O 2.9Å
252D80.1Confident92.6Very high129 Ų12957.4 Ų57.469%0.6928%0.277SS*.THydrogen-bonded Turntrans-12048.8-170.6-65.5-35000111.8H250 Y272H250-D252 PolarHBondContact O-N 3.29Å; D252-Y272 WeakPolarHBondContact O-CB 3.14Å
253R86.7Confident92.6Very high140 Ų14052.7 Ų52.753%0.52826%0.261SS..  trans77.6145.2-176.3-52.4177.7-177.5179.50.6115.9G229 N230 H250 G271 Y272G229-R253 VanDerWaalsContact O-CA 3.26Å; G229-R253 WeakPolarHBondContact O-CA 3.35Å; N230-R253 WeakPolarHBondContact OD1-CA 3.38Å; N230-R253 PolarHBondContact OD1-N 2.82Å; H250-R253 WeakPolarHBondContact CB-O 3.44Å; R253-G271 CarbonylContact O-C 3.6Å; R253-G271 WeakPolarHBondContact O-CA 3.15Å; R253-Y272 PolarHBondContact O-N 2.76Å
254A92Very high92.6Very high0 Ų054.9 Ų54.90%027%0.269CS..EExtended strand (participates in β ladder)trans-97142.7171.900000110.3M212 V227 G229 V249 H250 T270M212-A254 WeakPolarHBondContact CB-O 3.08Å; M212-A254 WeakPolarHBondContact CG-O 3.19Å; V227-A254 HydrophobicContact CB-CB 3.56Å; V227-A254 HydrophobicContact CG1-CB 3.62Å; V227-A254 HydrophobicContact CG2-CB 4.2Å; G229-A254 PolarHBondContact O-N 3.39Å; V249-A254 HydrophobicContact CG1-CB 3.94Å; H250-A254 HydrophobicContact CB-CB 4.39Å; A254-T270 WeakPolarHBondContact CA-O 3.28Å
255C93.8Very high92.8Very high23 Ų2353.6 Ų53.616%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-112.9-60.5-172.3-77.30000112.9M212 S213 T270 Y272M212-C255 WeakPolarHBondContact CB-O 3.4Å; S213-C255 VanDerWaalsContact CB-O 3.25Å; S213-C255 WeakPolarHBondContact CB-O 3.09Å; C255-T270 PolarHBondContact N-O 2.88Å; C255-Y272 WeakPolarHBondContact SG-CA 3.23Å
256L95.7Very high93Very high43 Ų4350.2 Ų50.223%0.22525%0.247CC..EExtended strand (participates in β ladder)trans-112.8144.5-178.4-60.2174.2000110.9T269 T270 L302L256-T269 WeakPolarHBondContact O-CA 3.33Å; L256-T270 HydrophobicContact CB-CG2 4.44Å; L256-T270 WeakPolarHBondContact CB-OG1 3.36Å; L256-T270 PolarHBondContact N-OG1 2.88Å; L256-T270 VanDerWaalsContact N-OG1 3.13Å; L256-T270 PolarHBondContact O-N 3.24Å; L256-T270 VanDerWaalsContact O-N 3.12Å; L256-L302 HydrophobicContact CB-CB 4.42Å; L256-L302 HydrophobicContact CB-CD2 4.36Å; L256-L302 HydrophobicContact CD1-CB 3.91Å
257F97.3Very high93.1Very high0 Ų046.5 Ų46.50%023%0.231CC..EExtended strand (participates in β ladder)trans-125.1131.5166.2-176.2-76000108.5S213 H215 V227 W232 I234 W259 F267 T269S213-F257 PolarHBondContact OG-N 2.89Å; H215-F257 HydrophobicContact CB-CD1 4.07Å; V227-F257 HydrophobicContact CG1-CB 4.06Å; V227-F257 HydrophobicContact CG1-CD2 4.16Å; V227-F257 HydrophobicContact CG2-CB 4.07Å; W232-F257 HydrophobicContact CB-CD2 4.32Å; W232-F257 HydrophobicContact CB-CE2 4.34Å; I234-F257 HydrophobicContact CD1-CE2 3.77Å; I234-F257 HydrophobicContact CD1-CZ 3.51Å; F257-W259 AromaticContact CE1-CD1 3.66Å; F257-W259 AromaticContact CE1-CD2 3.91Å; F257-W259 HydrophobicContact CE1-CD2 3.91Å; F257-W259 AromaticContact CE1-CE2 3.7Å; F257-W259 AromaticContact CE1-CG 3.88Å; F257-W259 HydrophobicContact CE1-CG 3.88Å; F257-W259 HydrophobicContact CE1-CZ2 4.35Å; F257-W259 AromaticContact CE1-NE1 3.54Å; F257-W259 HydrophobicContact CZ-CD2 4.15Å; F257-W259 AromaticContact CZ-CE2 3.85Å; F257-W259 HydrophobicContact CZ-CH2 4.49Å; F257-W259 HydrophobicContact CZ-CZ2 4.05Å; F257-F267 HydrophobicContact CD2-CD2 4.04Å; F257-F267 HydrophobicContact CD2-CE2 4.44Å; F257-F267 HydrophobicContact CE1-CB 4.1Å; F257-F267 HydrophobicContact CE1-CG 4.46Å; F257-F267 HydrophobicContact CE2-CB 4.25Å; F257-F267 AromaticContact CE2-CD2 3.22Å; F257-F267 HydrophobicContact CE2-CD2 3.22Å; F257-F267 AromaticContact CE2-CE2 3.57Å; F257-F267 HydrophobicContact CE2-CE2 3.57Å; F257-F267 AromaticContact CE2-CG 3.79Å; F257-F267 HydrophobicContact CE2-CG 3.79Å; F257-F267 HydrophobicContact CE2-CZ 4.39Å; F257-F267 HydrophobicContact CZ-CB 3.65Å; F257-F267 HydrophobicContact CZ-CD1 4.25Å; F257-F267 AromaticContact CZ-CD2 3.51Å; F257-F267 HydrophobicContact CZ-CD2 3.51Å; F257-F267 HydrophobicContact CZ-CE2 4.17Å; F257-F267 AromaticContact CZ-CG 3.54Å; F257-F267 HydrophobicContact CZ-CG 3.54Å; F257-T269 HydrophobicContact CD2-CG2 3.78Å; F257-T269 HydrophobicContact CE2-CG2 4.36Å
258R97.7Very high93.2Very high52 Ų5242.3 Ų42.320%0.19622%0.215CC..EExtended strand (participates in β ladder)trans-141115.8173.6-67.7-68.5-172.6-101.45.8111.2E23 S213 F267 A268 L302 W304E23-R258 IonicContact OE1-NH2 3.76Å; S213-R258 PolarHBondContact OG-NH1 3.02Å; R258-F267 CarbonylContact O-C 3.56Å; R258-F267 VanDerWaalsContact O-CA 3.3Å; R258-F267 WeakPolarHBondContact O-CA 3.43Å; R258-F267 WeakPolarHBondContact O-CB 3.09Å; R258-A268 PolarHBondContact N-O 3Å; R258-A268 PolarHBondContact O-N 3.34Å; R258-L302 HydrophobicContact CB-CD2 3.9Å; R258-L302 HydrophobicContact CB-CG 4.16Å; R258-L302 HydrophobicContact CG-CB 4.33Å; R258-L302 HydrophobicContact CG-CD2 3.88Å; R258-L302 HydrophobicContact CG-CG 3.94Å; R258-L302 WeakPolarHBondContact CG-O 3.47Å; R258-W304 PolarHBondContact O-NE1 2.92Å
259W97.6Very high93.3Very high2 Ų237.2 Ų37.21%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-55.1143.3159.7-71.4111.5000111.9H215 W216 C217 K223 G225 I234 F257 E264 F267 L285H215-W259 PolarHBondContact ND1-N 3.27Å; H215-W259 PolarHBondContact O-NE1 2.88Å; H215-W259 VanDerWaalsContact O-NE1 3.16Å; W216-W259 VanDerWaalsContact C-CD1 3.49Å; C217-W259 HydrophobicContact CB-CD2 3.91Å; C217-W259 HydrophobicContact CB-CG 3.89Å; K223-W259 HydrophobicContact CB-CZ2 4.3Å; K223-W259 HydrophobicContact CD-CH2 4.42Å; G225-W259 VanDerWaalsContact N-NE1 3.16Å; I234-W259 HydrophobicContact CD1-CH2 3.57Å; I234-W259 HydrophobicContact CD1-CZ2 3.34Å; I234-W259 HydrophobicContact CG1-CH2 4.31Å; I234-W259 HydrophobicContact CG1-CZ2 4.34Å; I234-W259 HydrophobicContact CG2-CH2 4.17Å; I234-W259 HydrophobicContact CG2-CZ2 4.01Å; F257-W259 AromaticContact CE1-CD1 3.66Å; F257-W259 AromaticContact CE1-CD2 3.91Å; F257-W259 HydrophobicContact CE1-CD2 3.91Å; F257-W259 AromaticContact CE1-CE2 3.7Å; F257-W259 AromaticContact CE1-CG 3.88Å; F257-W259 HydrophobicContact CE1-CG 3.88Å; F257-W259 HydrophobicContact CE1-CZ2 4.35Å; F257-W259 AromaticContact CE1-NE1 3.54Å; F257-W259 HydrophobicContact CZ-CD2 4.15Å; F257-W259 AromaticContact CZ-CE2 3.85Å; F257-W259 HydrophobicContact CZ-CH2 4.49Å; F257-W259 HydrophobicContact CZ-CZ2 4.05Å; W259-E264 WeakPolarHBondContact CZ3-O 3.49Å; W259-F267 HydrophobicContact CD2-CB 4.33Å; W259-F267 HydrophobicContact CE3-CB 3.86Å; W259-F267 HydrophobicContact CE3-CD1 4.25Å; W259-F267 HydrophobicContact CE3-CG 4.46Å; W259-F267 HydrophobicContact CH2-CD1 4.22Å; W259-F267 HydrophobicContact CZ3-CB 4.22Å; W259-F267 AromaticContact CZ3-CD1 3.73Å; W259-F267 HydrophobicContact CZ3-CD1 3.73Å; W259-F267 HydrophobicContact CZ3-CG 4.34Å; W259-L285 HydrophobicContact CH2-CD1 4.03Å; W259-L285 HydrophobicContact CZ3-CD1 4.3Å
260S96.5Very high93.5Very high1 Ų137.2 Ų37.21%0.00718%0.182CC..  trans-64.3142.4165178.70000110.4I262 L266S260-I262 PolarHBondContact O-N 2.68Å; S260-I262 WeakPolarHBondContact OG-CG1 3.46Å; S260-I262 PolarHBondContact OG-N 3.46Å; S260-L266 VanDerWaalsContact CB-O 3.24Å; S260-L266 WeakPolarHBondContact CB-O 3.4Å; S260-L266 PolarHBondContact N-O 3.4Å
261T93.6Very high93.6Very high22 Ų2237 Ų3714%0.13518%0.183CC..SBendtrans-70.2-18.1173.349.20000112.7K219 W304 H305 R306K219-T261 WeakPolarHBondContact CE-O 3.22Å; T261-W304 HydrophobicContact CG2-CB 4.17Å; T261-H305 PolarHBondContact OG1-O 2.79Å; T261-R306 PolarHBondContact OG1-O 2.86Å
262I93.2Very high93.6Very high53 Ų5336.4 Ų36.427%0.27217%0.173SC..SBendtrans-110.5-15.9-173.761.1160.3000114.4S260 R306 P309 V326S260-I262 PolarHBondContact O-N 2.68Å; S260-I262 WeakPolarHBondContact OG-CG1 3.46Å; S260-I262 PolarHBondContact OG-N 3.46Å; I262-R306 VanDerWaalsContact CG2-O 3.28Å; I262-R306 WeakPolarHBondContact CG2-O 3.27Å; I262-P309 HydrophobicContact CD1-CB 3.77Å; I262-P309 HydrophobicContact CD1-CG 4.39Å; I262-V326 HydrophobicContact CD1-CG2 4.26Å
263S94.8Very high93.3Very high17 Ų1732.9 Ų32.912%0.11916%0.157CC..  trans-141.5135.1-175.4172.60000112.6N265 L266S263-N265 PolarHBondContact O-N 3.22Å; S263-N265 PolarHBondContact OG-N 3.38Å; S263-N265 VanDerWaalsContact OG-N 3.17Å; S263-L266 PolarHBondContact OG-N 2.67Å
264E95.3Very high92.4Very high68 Ų6828.1 Ų28.132%0.31815%0.151SC..THydrogen-bonded Turntrans-77.7-0.5174.265.2161.4144.800114.4K219 N220 K223 W259K219-E264 HydrophobicContact CB-CB 3.91Å; N220-E264 HydrophobicContact CB-CB 3.86Å; N220-E264 WeakPolarHBondContact CB-OE2 3.27Å; N220-E264 PolarHBondContact ND2-OE2 3.44Å; K223-E264 PolarHBondContact NZ-O 2.78Å; K223-E264 IonicContact NZ-OE2 3.96Å; K223-E264 PolarHBondContact NZ-OE2 2.8Å; W259-E264 WeakPolarHBondContact CZ3-O 3.49Å
265N95.7Very high90.8Very high52 Ų5238.5 Ų38.528%0.27820%0.196SC..THydrogen-bonded Turntrans-114.9-10.2-179.2-65-42.8000112.6K223 S263 H284 L285K223-N265 PolarHBondContact NZ-OD1 3.29Å; S263-N265 PolarHBondContact O-N 3.22Å; S263-N265 PolarHBondContact OG-N 3.38Å; S263-N265 VanDerWaalsContact OG-N 3.17Å; N265-H284 VanDerWaalsContact CB-NE2 3.32Å; N265-H284 WeakPolarHBondContact CB-NE2 3.28Å; N265-H284 CarbonylContact O-C 3.49Å; N265-H284 WeakPolarHBondContact O-CA 3.15Å; N265-L285 HydrophobicContact CB-CB 4.29Å; N265-L285 PolarHBondContact O-N 2.87Å
266L96.7Very high89.2Confident1 Ų145.5 Ų45.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-107.7132.4-175.1-171.772000110.7S260 S263 I282 H283 H284 I291 W304 T324 V326S260-L266 VanDerWaalsContact CB-O 3.24Å; S260-L266 WeakPolarHBondContact CB-O 3.4Å; S260-L266 PolarHBondContact N-O 3.4Å; S263-L266 PolarHBondContact OG-N 2.67Å; L266-I282 HydrophobicContact CD1-CG2 3.62Å; L266-I282 HydrophobicContact CG-CG2 4.3Å; L266-H283 WeakPolarHBondContact CA-O 3.17Å; L266-H284 HydrophobicContact CD1-CB 4.47Å; L266-I291 HydrophobicContact CD1-CD1 3.58Å; L266-W304 HydrophobicContact CD1-CH2 4.41Å; L266-W304 HydrophobicContact CD2-CH2 3.59Å; L266-W304 HydrophobicContact CD2-CZ2 4.46Å; L266-W304 HydrophobicContact CD2-CZ3 3.68Å; L266-W304 HydrophobicContact CG-CH2 3.73Å; L266-W304 HydrophobicContact CG-CZ2 4.25Å; L266-W304 HydrophobicContact CG-CZ3 4.33Å; L266-T324 HydrophobicContact CD1-CG2 4.15Å; L266-T324 HydrophobicContact CD2-CG2 3.78Å; L266-V326 HydrophobicContact CD2-CG2 4.45Å
267F97.2Very high88.3Confident1 Ų144.9 Ų44.90%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-152.6159.8175.761.2-85.4000111.3W232 F257 R258 W259 T269 I282 H283 L285W232-F267 HydrophobicContact CB-CE2 4.45Å; W232-F267 HydrophobicContact CD2-CE2 4.07Å; W232-F267 AromaticContact CD2-CZ 3.88Å; W232-F267 HydrophobicContact CD2-CZ 3.88Å; W232-F267 AromaticContact CE2-CZ 3.8Å; W232-F267 HydrophobicContact CE3-CZ 4.14Å; W232-F267 AromaticContact CG-CE2 4Å; W232-F267 HydrophobicContact CG-CE2 4Å; W232-F267 HydrophobicContact CG-CZ 4.29Å; W232-F267 HydrophobicContact CH2-CZ 4.3Å; W232-F267 HydrophobicContact CZ2-CZ 4.01Å; W232-F267 HydrophobicContact CZ3-CZ 4.36Å; F257-F267 HydrophobicContact CD2-CD2 4.04Å; F257-F267 HydrophobicContact CD2-CE2 4.44Å; F257-F267 HydrophobicContact CE1-CB 4.1Å; F257-F267 HydrophobicContact CE1-CG 4.46Å; F257-F267 HydrophobicContact CE2-CB 4.25Å; F257-F267 AromaticContact CE2-CD2 3.22Å; F257-F267 HydrophobicContact CE2-CD2 3.22Å; F257-F267 AromaticContact CE2-CE2 3.57Å; F257-F267 HydrophobicContact CE2-CE2 3.57Å; F257-F267 AromaticContact CE2-CG 3.79Å; F257-F267 HydrophobicContact CE2-CG 3.79Å; F257-F267 HydrophobicContact CE2-CZ 4.39Å; F257-F267 HydrophobicContact CZ-CB 3.65Å; F257-F267 HydrophobicContact CZ-CD1 4.25Å; F257-F267 AromaticContact CZ-CD2 3.51Å; F257-F267 HydrophobicContact CZ-CD2 3.51Å; F257-F267 HydrophobicContact CZ-CE2 4.17Å; F257-F267 AromaticContact CZ-CG 3.54Å; F257-F267 HydrophobicContact CZ-CG 3.54Å; R258-F267 CarbonylContact O-C 3.56Å; R258-F267 VanDerWaalsContact O-CA 3.3Å; R258-F267 WeakPolarHBondContact O-CA 3.43Å; R258-F267 WeakPolarHBondContact O-CB 3.09Å; W259-F267 HydrophobicContact CD2-CB 4.33Å; W259-F267 HydrophobicContact CE3-CB 3.86Å; W259-F267 HydrophobicContact CE3-CD1 4.25Å; W259-F267 HydrophobicContact CE3-CG 4.46Å; W259-F267 HydrophobicContact CH2-CD1 4.22Å; W259-F267 HydrophobicContact CZ3-CB 4.22Å; W259-F267 AromaticContact CZ3-CD1 3.73Å; W259-F267 HydrophobicContact CZ3-CD1 3.73Å; W259-F267 HydrophobicContact CZ3-CG 4.34Å; F267-T269 HydrophobicContact CD2-CG2 4.07Å; F267-T269 HydrophobicContact CE2-CG2 4.19Å; F267-I282 WeakPolarHBondContact O-CA 3.49Å; F267-H283 HydrophobicContact CD1-CB 4.11Å; F267-H283 HydrophobicContact CD2-CB 3.96Å; F267-H283 HydrophobicContact CE1-CB 3.62Å; F267-H283 HydrophobicContact CE2-CB 3.47Å; F267-H283 VanDerWaalsContact CE2-CB 3.47Å; F267-H283 AromaticContact CE2-CG 3.69Å; F267-H283 AromaticContact CE2-ND1 3.82Å; F267-H283 HydrophobicContact CG-CB 4.28Å; F267-H283 HydrophobicContact CZ-CB 3.28Å; F267-H283 AromaticContact CZ-CG 3.82Å; F267-H283 PolarHBondContact N-O 2.75Å; F267-H283 PolarHBondContact O-N 3.12Å; F267-L285 HydrophobicContact CE1-CD2 3.67Å; F267-L285 HydrophobicContact CE1-CG 4.11Å; F267-L285 HydrophobicContact CZ-CD2 4.43Å
268A96.8Very high87.6Confident0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-121.4151.3176.100000110.6R258 Q281 I282 L302 W304R258-A268 PolarHBondContact N-O 3Å; R258-A268 PolarHBondContact O-N 3.34Å; A268-Q281 CarbonylContact C-O 3.43Å; A268-Q281 WeakPolarHBondContact CA-O 3.37Å; A268-I282 HydrophobicContact CB-CG1 4.34Å; A268-L302 HydrophobicContact CB-CD1 3.9Å; A268-L302 HydrophobicContact CB-CD2 3.73Å; A268-L302 HydrophobicContact CB-CG 4.33Å; A268-W304 HydrophobicContact CB-CZ2 3.57Å
269T95.7Very high87.2Confident0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-136.1148.8175.863.10000110.8V227 W232 V249 H250 L256 F257 F267 F280 Q281V227-T269 HydrophobicContact CG1-CG2 3.92Å; W232-T269 HydrophobicContact CB-CG2 4.38Å; V249-T269 WeakPolarHBondContact CG2-OG1 3.35Å; H250-T269 PolarHBondContact NE2-OG1 3.21Å; L256-T269 WeakPolarHBondContact O-CA 3.33Å; F257-T269 HydrophobicContact CD2-CG2 3.78Å; F257-T269 HydrophobicContact CE2-CG2 4.36Å; F267-T269 HydrophobicContact CD2-CG2 4.07Å; F267-T269 HydrophobicContact CE2-CG2 4.19Å; T269-F280 CarbonylContact O-C 3.57Å; T269-F280 VanDerWaalsContact O-CA 3.22Å; T269-F280 WeakPolarHBondContact O-CA 3.43Å; T269-F280 WeakPolarHBondContact O-CB 3.5Å; T269-Q281 PolarHBondContact N-O 2.91Å; T269-Q281 PolarHBondContact O-N 2.84Å
270T94.2Very high86.9Confident12 Ų1247.6 Ų47.67%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-114.1146.4171.562.90000110.7H250 A254 C255 L256 F280 L302 I313H250-T270 PolarHBondContact CD2-O 2.77Å; H250-T270 VanDerWaalsContact NE2-C 3.26Å; H250-T270 PolarHBondContact NE2-O 3.48Å; A254-T270 WeakPolarHBondContact CA-O 3.28Å; C255-T270 PolarHBondContact N-O 2.88Å; L256-T270 HydrophobicContact CB-CG2 4.44Å; L256-T270 WeakPolarHBondContact CB-OG1 3.36Å; L256-T270 PolarHBondContact N-OG1 2.88Å; L256-T270 VanDerWaalsContact N-OG1 3.13Å; L256-T270 PolarHBondContact O-N 3.24Å; L256-T270 VanDerWaalsContact O-N 3.12Å; T270-F280 HydrophobicContact CG2-CB 4.02Å; T270-L302 HydrophobicContact CG2-CB 4.25Å; T270-L302 HydrophobicContact CG2-CD2 4.19Å; T270-I313 HydrophobicContact CG2-CD1 4.25Å
271G90.4Very high86.8Confident5 Ų548.6 Ų48.65%0.05225%0.25CC..EExtended strand (participates in β ladder)trans-85.8165.6170.200000111.2H250 R253 Q279H250-G271 PolarHBondContact CE1-N 2.8Å; H250-G271 VanDerWaalsContact CE1-N 3.28Å; H250-G271 VanDerWaalsContact CG-CA 3.46Å; H250-G271 PolarHBondContact NE2-N 2.92Å; R253-G271 CarbonylContact O-C 3.6Å; R253-G271 WeakPolarHBondContact O-CA 3.15Å; G271-Q279 PolarHBondContact N-O 2.83Å
272Y83.9Confident86.9Confident143 Ų14347.5 Ų47.556%0.56124%0.244SC*.  trans-58.4137169.5-164.6-98.1000109.9D252 R253 C255 G274D252-Y272 WeakPolarHBondContact O-CB 3.14Å; R253-Y272 PolarHBondContact O-N 2.76Å; C255-Y272 WeakPolarHBondContact SG-CA 3.23Å; Y272-G274 PolarHBondContact O-N 2.78Å
273P75Confident87Confident55 Ų5545.5 Ų45.536%0.35723%0.233SC..  trans-56.6109.8174.3-21.631.6000109.6S278P273-S278 VanDerWaalsContact CA-OG 3.31Å; P273-S278 WeakPolarHBondContact CA-OG 3.19Å; P273-S278 WeakPolarHBondContact CB-OG 3.4Å
274G67.3Low87Confident40 Ų4046.5 Ų46.541%0.41224%0.236SC..  trans-68.5-179.2171.100000110.3Y272 M276 A277Y272-G274 PolarHBondContact O-N 2.78Å; G274-M276 PolarHBondContact O-N 2.81Å; G274-A277 PolarHBondContact N-O 2.62Å; G274-A277 VanDerWaalsContact N-O 3.11Å
275K58.4Low87Confident218 Ų21845 Ų4595%0.94823%0.229SC*.SBendtrans-59.3-22176.2-70.6-173.8178.5-179.20114.1
276M61.1Low86.8Confident170 Ų17045.3 Ų45.384%0.83725%0.246SC*.SBendtrans-130.7-27.1-171.4-66.4-177.417500114.3G274 A297G274-M276 PolarHBondContact O-N 2.81Å; M276-A297 CarbonylContact C-O 3.5Å
277A76.8Confident86.6Confident30 Ų3050.1 Ų50.125%0.24827%0.268CS..  trans-159.1147.1179.400000112G274 S295 V296 A297G274-A277 PolarHBondContact N-O 2.62Å; G274-A277 VanDerWaalsContact N-O 3.11Å; A277-S295 WeakPolarHBondContact CB-OG 2.8Å; A277-V296 CarbonylContact C-O 3.6Å; A277-V296 WeakPolarHBondContact CA-O 3.38Å; A277-V296 WeakPolarHBondContact CB-O 3.48Å; A277-A297 WeakPolarHBondContact CA-O 3.43Å
278S82.6Confident86.2Confident4 Ų454.5 Ų54.53%0.02830%0.296CS..EExtended strand (participates in β ladder)trans-87.5125.1160.5-52.80000108.7P273 S295 V296 G299P273-S278 VanDerWaalsContact CA-OG 3.31Å; P273-S278 WeakPolarHBondContact CA-OG 3.19Å; P273-S278 WeakPolarHBondContact CB-OG 3.4Å; S278-S295 WeakPolarHBondContact O-CA 3.33Å; S278-V296 PolarHBondContact N-O 3.16Å; S278-V296 PolarHBondContact O-N 3.24Å; S278-G299 PolarHBondContact OG-N 2.58Å; S278-G299 PolarHBondContact OG-O 2.82Å
279Q88.5Confident86Confident106 Ų10661 Ų6150%0.49533%0.327SS..EExtended strand (participates in β ladder)trans-82.4148.3169-66.2-175.8-10.300109.7G271G271-Q279 PolarHBondContact N-O 2.83Å
280F91.8Very high85.8Confident2 Ų262.4 Ų62.41%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-136.9155.7165.682.8-83.5000110T269 T270 I282 L292 G294 V296 I313 W322T269-F280 CarbonylContact O-C 3.57Å; T269-F280 VanDerWaalsContact O-CA 3.22Å; T269-F280 WeakPolarHBondContact O-CA 3.43Å; T269-F280 WeakPolarHBondContact O-CB 3.5Å; T270-F280 HydrophobicContact CG2-CB 4.02Å; F280-I282 HydrophobicContact CD2-CG1 4.48Å; F280-I282 HydrophobicContact CE2-CD1 4.39Å; F280-I282 HydrophobicContact CE2-CG1 4.09Å; F280-L292 HydrophobicContact CE2-CD2 3.57Å; F280-L292 HydrophobicContact CZ-CD2 3.55Å; F280-G294 VanDerWaalsContact CD1-C 3.46Å; F280-G294 WeakPolarHBondContact CD1-O 3.4Å; F280-G294 PolarHBondContact N-O 2.79Å; F280-G294 PolarHBondContact O-N 3.06Å; F280-V296 HydrophobicContact CD1-CG2 4.47Å; F280-I313 HydrophobicContact CB-CD1 3.46Å; F280-I313 VanDerWaalsContact CB-CD1 3.46Å; F280-I313 HydrophobicContact CD1-CD1 3.43Å; F280-I313 VanDerWaalsContact CD1-CD1 3.43Å; F280-I313 HydrophobicContact CD2-CD1 3.58Å; F280-I313 HydrophobicContact CE1-CD1 4.07Å; F280-I313 HydrophobicContact CE2-CD1 4.23Å; F280-I313 HydrophobicContact CG-CD1 3.16Å; F280-I313 HydrophobicContact CZ-CD1 4.47Å; F280-W322 HydrophobicContact CD1-CH2 4.38Å; F280-W322 HydrophobicContact CD1-CZ2 4.42Å; F280-W322 AromaticContact CE1-CD2 3.72Å; F280-W322 HydrophobicContact CE1-CD2 3.72Å; F280-W322 AromaticContact CE1-CE2 3.37Å; F280-W322 AromaticContact CE1-CE3 3.97Å; F280-W322 HydrophobicContact CE1-CE3 3.97Å; F280-W322 HydrophobicContact CE1-CG 4.42Å; F280-W322 AromaticContact CE1-CH2 3.59Å; F280-W322 HydrophobicContact CE1-CH2 3.59Å; F280-W322 AromaticContact CE1-CZ2 3.33Å; F280-W322 HydrophobicContact CE1-CZ2 3.33Å; F280-W322 AromaticContact CE1-CZ3 3.91Å; F280-W322 HydrophobicContact CE1-CZ3 3.91Å; F280-W322 AromaticContact CE1-NE1 3.89Å; F280-W322 HydrophobicContact CE2-CD2 4.04Å; F280-W322 HydrophobicContact CE2-CE3 4.25Å; F280-W322 HydrophobicContact CE2-CG 4.15Å; F280-W322 HydrophobicContact CZ-CB 4.32Å; F280-W322 AromaticContact CZ-CD1 3.7Å; F280-W322 AromaticContact CZ-CD2 3.18Å; F280-W322 HydrophobicContact CZ-CD2 3.18Å; F280-W322 AromaticContact CZ-CE2 3.24Å; F280-W322 AromaticContact CZ-CE3 3.63Å; F280-W322 HydrophobicContact CZ-CE3 3.63Å; F280-W322 AromaticContact CZ-CG 3.5Å; F280-W322 HydrophobicContact CZ-CG 3.5Å; F280-W322 VanDerWaalsContact CZ-CG 3.5Å; F280-W322 HydrophobicContact CZ-CH2 4.11Å; F280-W322 AromaticContact CZ-CZ2 3.74Å; F280-W322 HydrophobicContact CZ-CZ2 3.74Å; F280-W322 HydrophobicContact CZ-CZ3 4.07Å; F280-W322 AromaticContact CZ-NE1 3.52Å
281Q93.6Very high85.7Confident21 Ų2164.1 Ų64.110%0.09834%0.344CS..EExtended strand (participates in β ladder)trans-140.8133.8-175.4-61.2-178.214.700110.3V249 A268 T269 H283 P290 L292 M293V249-Q281 PolarHBondContact O-NE2 3.22Å; A268-Q281 CarbonylContact C-O 3.43Å; A268-Q281 WeakPolarHBondContact CA-O 3.37Å; T269-Q281 PolarHBondContact N-O 2.91Å; T269-Q281 PolarHBondContact O-N 2.84Å; Q281-H283 VanDerWaalsContact CB-CE1 3.41Å; Q281-H283 WeakPolarHBondContact CB-CE1 3.46Å; Q281-H283 PolarHBondContact OE1-CE1 2.93Å; Q281-H283 VanDerWaalsContact OE1-CE1 3.27Å; Q281-H283 PolarHBondContact OE1-NE2 2.91Å; Q281-P290 HydrophobicContact CB-CB 4.12Å; Q281-L292 CarbonylContact C-O 3.51Å; Q281-L292 WeakPolarHBondContact CA-O 3.44Å; Q281-M293 HydrophobicContact CG-CG 4.11Å
282I95.2Very high85.8Confident0 Ų064.2 Ų64.20%034%0.343CS..EExtended strand (participates in β ladder)trans-98.8131.9169.9-52.5-179.9000108.2L266 F267 A268 F280 P290 I291 L292 W304 W322 T324L266-I282 HydrophobicContact CD1-CG2 3.62Å; L266-I282 HydrophobicContact CG-CG2 4.3Å; F267-I282 WeakPolarHBondContact O-CA 3.49Å; A268-I282 HydrophobicContact CB-CG1 4.34Å; F280-I282 HydrophobicContact CD2-CG1 4.48Å; F280-I282 HydrophobicContact CE2-CD1 4.39Å; F280-I282 HydrophobicContact CE2-CG1 4.09Å; I282-P290 CarbonylContact O-C 3.18Å; I282-P290 WeakPolarHBondContact O-CA 3.3Å; I282-P290 WeakPolarHBondContact O-CB 3.36Å; I282-I291 HydrophobicContact CB-CG1 4.15Å; I282-I291 HydrophobicContact CG2-CD1 3.92Å; I282-I291 HydrophobicContact CG2-CG1 3.89Å; I282-I291 WeakPolarHBondContact O-CG1 3.23Å; I282-I291 PolarHBondContact O-N 3.1Å; I282-L292 HydrophobicContact CB-CB 4.05Å; I282-L292 HydrophobicContact CD1-CB 4.12Å; I282-L292 HydrophobicContact CD1-CD1 4.35Å; I282-L292 HydrophobicContact CD1-CD2 4.04Å; I282-L292 HydrophobicContact CD1-CG 4.4Å; I282-L292 HydrophobicContact CG1-CB 4.2Å; I282-L292 HydrophobicContact CG1-CD2 4.21Å; I282-L292 PolarHBondContact N-O 3.13Å; I282-L292 PolarHBondContact O-N 3.23Å; I282-W304 HydrophobicContact CD1-CH2 4.25Å; I282-W304 HydrophobicContact CG2-CH2 3.76Å; I282-W304 HydrophobicContact CG2-CZ2 4.2Å; I282-W322 HydrophobicContact CD1-CB 4.42Å; I282-T324 HydrophobicContact CG2-CG2 4.48Å
283H95.7Very high86.2Confident11 Ų1160.9 Ų60.95%0.05133%0.333CS..EExtended strand (participates in β ladder)trans-123.1144.7-176.6-66.683.4000110.5W232 V249 L266 F267 Q281W232-H283 AromaticContact CD1-NE2 3.94Å; W232-H283 AromaticContact NE1-CD2 3.61Å; W232-H283 AromaticContact NE1-NE2 3.52Å; V249-H283 VanDerWaalsContact CG2-CE1 3.43Å; V249-H283 WeakPolarHBondContact CG2-CE1 3.4Å; L266-H283 WeakPolarHBondContact CA-O 3.17Å; F267-H283 HydrophobicContact CD1-CB 4.11Å; F267-H283 HydrophobicContact CD2-CB 3.96Å; F267-H283 HydrophobicContact CE1-CB 3.62Å; F267-H283 HydrophobicContact CE2-CB 3.47Å; F267-H283 VanDerWaalsContact CE2-CB 3.47Å; F267-H283 AromaticContact CE2-CG 3.69Å; F267-H283 AromaticContact CE2-ND1 3.82Å; F267-H283 HydrophobicContact CG-CB 4.28Å; F267-H283 HydrophobicContact CZ-CB 3.28Å; F267-H283 AromaticContact CZ-CG 3.82Å; F267-H283 PolarHBondContact N-O 2.75Å; F267-H283 PolarHBondContact O-N 3.12Å; Q281-H283 VanDerWaalsContact CB-CE1 3.41Å; Q281-H283 WeakPolarHBondContact CB-CE1 3.46Å; Q281-H283 PolarHBondContact OE1-CE1 2.93Å; Q281-H283 VanDerWaalsContact OE1-CE1 3.27Å; Q281-H283 PolarHBondContact OE1-NE2 2.91Å
284H95.5Very high86.8Confident38 Ų3858.5 Ų58.518%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-119.5130.5166.4-177.2-87.6000109N265 L266 G286 H287 I291N265-H284 VanDerWaalsContact CB-NE2 3.32Å; N265-H284 WeakPolarHBondContact CB-NE2 3.28Å; N265-H284 CarbonylContact O-C 3.49Å; N265-H284 WeakPolarHBondContact O-CA 3.15Å; L266-H284 HydrophobicContact CD1-CB 4.47Å; H284-G286 PolarHBondContact ND1-N 3.23Å; H284-G286 VanDerWaalsContact ND1-N 3.12Å; H284-G286 PolarHBondContact O-N 2.85Å; H284-G286 VanDerWaalsContact O-N 3.1Å; H284-H287 AromaticContact ND1-CD2 3.61Å; H284-H287 PolarHBondContact O-N 2.93Å; H284-I291 HydrophobicContact CB-CD1 4.23Å; H284-I291 HydrophobicContact CB-CG2 4.01Å
285L94.2Very high87.7Confident35 Ų3559.7 Ų59.718%0.18332%0.321CS..THydrogen-bonded Turntrans-58.8-26.9-174.9-71.1178.6000113.6W232 I234 W259 N265 F267 H287W232-L285 HydrophobicContact CH2-CD2 4.33Å; W232-L285 HydrophobicContact CZ3-CD2 4.49Å; I234-L285 HydrophobicContact CG1-CD2 4.19Å; W259-L285 HydrophobicContact CH2-CD1 4.03Å; W259-L285 HydrophobicContact CZ3-CD1 4.3Å; N265-L285 HydrophobicContact CB-CB 4.29Å; N265-L285 PolarHBondContact O-N 2.87Å; F267-L285 HydrophobicContact CE1-CD2 3.67Å; F267-L285 HydrophobicContact CE1-CG 4.11Å; F267-L285 HydrophobicContact CZ-CD2 4.43Å; L285-H287 PolarHBondContact O-N 3.43Å
286G92.6Very high89Confident60 Ų6049.7 Ų49.762%0.61928%0.278SS*.THydrogen-bonded Turntrans-72.4-11.2174.500000114.9H284H284-G286 PolarHBondContact ND1-N 3.23Å; H284-G286 VanDerWaalsContact ND1-N 3.12Å; H284-G286 PolarHBondContact O-N 2.85Å; H284-G286 VanDerWaalsContact O-N 3.1Å
287H91.8Very high89.8Confident102 Ų10244 Ų4447%0.47226%0.259SS..  trans-112.8141.3-177.7-68.1-76.4000112.1R247 H284 L285 Q289 I291R247-H287 PolarHBondContact NH1-O 2.75Å; H284-H287 AromaticContact ND1-CD2 3.61Å; H284-H287 PolarHBondContact O-N 2.93Å; L285-H287 PolarHBondContact O-N 3.43Å; H287-Q289 VanDerWaalsContact C-N 3.35Å; H287-I291 HydrophobicContact CB-CG2 4.27Å
288P89.9Confident89.7Confident92 Ų9246.2 Ų46.260%0.59727%0.269SS*.SBendtrans-71.8-29.6178.226.3-32.6000113.2R247R247-P288 PolarHBondContact NH1-O 2.91Å; R247-P288 VanDerWaalsContact NH1-O 3.09Å
289Q91Very high89.2Confident137 Ų13746.8 Ų46.864%0.6428%0.275SS*.SBendtrans-112.3157.8-176.4-63.5-62.6-62.800110H287H287-Q289 VanDerWaalsContact C-N 3.35Å
290P91.9Very high89Confident30 Ų3042.7 Ų42.720%0.19526%0.258CS..  trans-58.2141.4170.625.8-34.9000110.5Q281 I282 M293Q281-P290 HydrophobicContact CB-CB 4.12Å; I282-P290 CarbonylContact O-C 3.18Å; I282-P290 WeakPolarHBondContact O-CA 3.3Å; I282-P290 WeakPolarHBondContact O-CB 3.36Å; P290-M293 HydrophobicContact CB-CG 4.11Å; P290-M293 HydrophobicContact CG-CG 3.74Å; P290-M293 HydrophobicContact CG-SD 3.84Å
291I93.1Very high88.9Confident48 Ų4843.1 Ų43.125%0.24626%0.263CS..SBendtrans-81.8-23.217862173.1000111.7L266 I282 H284 H287 T324L266-I291 HydrophobicContact CD1-CD1 3.58Å; I282-I291 HydrophobicContact CB-CG1 4.15Å; I282-I291 HydrophobicContact CG2-CD1 3.92Å; I282-I291 HydrophobicContact CG2-CG1 3.89Å; I282-I291 WeakPolarHBondContact O-CG1 3.23Å; I282-I291 PolarHBondContact O-N 3.1Å; H284-I291 HydrophobicContact CB-CD1 4.23Å; H284-I291 HydrophobicContact CB-CG2 4.01Å; H287-I291 HydrophobicContact CB-CG2 4.27Å; I291-T324 HydrophobicContact CD1-CG2 4.4Å; I291-T324 WeakPolarHBondContact CD1-OG1 3.33Å
292L92.4Very high89Confident6 Ų642.2 Ų42.23%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-145139.2174.4-172.7148.4000110R7 F280 Q281 I282 W322R7-L292 HydrophobicContact CB-CD1 4.42Å; R7-L292 HydrophobicContact CB-CG 4.38Å; F280-L292 HydrophobicContact CE2-CD2 3.57Å; F280-L292 HydrophobicContact CZ-CD2 3.55Å; Q281-L292 CarbonylContact C-O 3.51Å; Q281-L292 WeakPolarHBondContact CA-O 3.44Å; I282-L292 HydrophobicContact CB-CB 4.05Å; I282-L292 HydrophobicContact CD1-CB 4.12Å; I282-L292 HydrophobicContact CD1-CD1 4.35Å; I282-L292 HydrophobicContact CD1-CD2 4.04Å; I282-L292 HydrophobicContact CD1-CG 4.4Å; I282-L292 HydrophobicContact CG1-CB 4.2Å; I282-L292 HydrophobicContact CG1-CD2 4.21Å; I282-L292 PolarHBondContact N-O 3.13Å; I282-L292 PolarHBondContact O-N 3.23Å; L292-W322 HydrophobicContact CD1-CB 4.23Å; L292-W322 HydrophobicContact CD2-CB 4.31Å; L292-W322 HydrophobicContact CD2-CG 4.1Å
293M91.4Very high89.1Confident73 Ų7342.5 Ų42.536%0.3626%0.261SS..EExtended strand (participates in β ladder)trans-126.4135.3170.5-58.6-178.5-70.600108.3S6 R7 Q281 P290S6-M293 WeakPolarHBondContact CA-O 3.19Å; R7-M293 PolarHBondContact N-O 3.25Å; Q281-M293 HydrophobicContact CG-CG 4.11Å; P290-M293 HydrophobicContact CB-CG 4.11Å; P290-M293 HydrophobicContact CG-CG 3.74Å; P290-M293 HydrophobicContact CG-SD 3.84Å
294G87.4Confident89.1Confident5 Ų542.4 Ų42.45%0.05226%0.26CS..EExtended strand (participates in β ladder)trans-142.2173.5173.500000111.8F280F280-G294 VanDerWaalsContact CD1-C 3.46Å; F280-G294 WeakPolarHBondContact CD1-O 3.4Å; F280-G294 PolarHBondContact N-O 2.79Å; F280-G294 PolarHBondContact O-N 3.06Å
295S87Confident89.1Confident66 Ų6640.6 Ų40.646%0.46225%0.252SS..EExtended strand (participates in β ladder)trans-141.5137.1-171.9-177.10000109.4A277 S278A277-S295 WeakPolarHBondContact CB-OG 2.8Å; S278-S295 WeakPolarHBondContact O-CA 3.33Å
296V84.8Confident89Confident7 Ų741.6 Ų41.64%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-131.6136.6-179.7-176.40000108.4A277 S278 F280 V298 I313 L320 W322A277-V296 CarbonylContact C-O 3.6Å; A277-V296 WeakPolarHBondContact CA-O 3.38Å; A277-V296 WeakPolarHBondContact CB-O 3.48Å; S278-V296 PolarHBondContact N-O 3.16Å; S278-V296 PolarHBondContact O-N 3.24Å; F280-V296 HydrophobicContact CD1-CG2 4.47Å; V296-V298 VanDerWaalsContact C-N 3.27Å; V296-V298 PolarHBondContact O-N 3.41Å; V296-I313 HydrophobicContact CG2-CG2 4.14Å; V296-L320 HydrophobicContact CB-CD1 4.21Å; V296-L320 HydrophobicContact CG1-CD1 3.62Å; V296-L320 HydrophobicContact CG2-CD1 3.68Å; V296-W322 HydrophobicContact CG2-CH2 3.55Å; V296-W322 HydrophobicContact CG2-CZ2 4.22Å; V296-W322 HydrophobicContact CG2-CZ3 4.47Å
297A77.8Confident88.9Confident52 Ų5241.6 Ų41.643%0.4324%0.241SC..THydrogen-bonded Turntrans-55-42.9-175.400000112.8M276 A277 D316M276-A297 CarbonylContact C-O 3.5Å; A277-A297 WeakPolarHBondContact CA-O 3.43Å; A297-D316 HydrophobicContact CB-CB 4.43Å
298V75.7Confident89Confident76 Ų7637.7 Ų37.746%0.46122%0.224SC..THydrogen-bonded Turntrans-141.681.9173.2-174.20000107.6V296 S300 G315V296-V298 VanDerWaalsContact C-N 3.27Å; V296-V298 PolarHBondContact O-N 3.41Å; V298-S300 PolarHBondContact O-N 3.32Å; V298-G315 WeakPolarHBondContact O-CA 3.22Å
299G73Confident89.1Confident15 Ų1534.7 Ų34.716%0.15521%0.205CC..  trans-73.2125-178.200000111.7S278 G314S278-G299 PolarHBondContact OG-N 2.58Å; S278-G299 PolarHBondContact OG-O 2.82Å; G299-G314 CarbonylContact C-O 3.59Å; G299-G314 WeakPolarHBondContact CA-O 3.31Å
300S83Confident89.3Confident20 Ų2028.2 Ų28.214%0.1417%0.174CC..EExtended strand (participates in β ladder)trans-138.6141.9179.6760000110.3V19 H20 V298 G314V19-S300 VanDerWaalsContact C-OG 3.23Å; V19-S300 PolarHBondContact O-OG 3.03Å; H20-S300 VanDerWaalsContact C-OG 3.32Å; H20-S300 VanDerWaalsContact CA-OG 3.3Å; H20-S300 WeakPolarHBondContact CA-OG 3.26Å; H20-S300 VanDerWaalsContact O-CB 3.27Å; H20-S300 WeakPolarHBondContact O-CB 3.29Å; H20-S300 PolarHBondContact O-OG 3.21Å; V298-S300 PolarHBondContact O-N 3.32Å; S300-G314 PolarHBondContact N-O 2.92Å; S300-G314 WeakPolarHBondContact O-CA 3.32Å; S300-G314 PolarHBondContact O-N 3.28Å; S300-G314 PolarHBondContact OG-O 3.29Å
301G90.5Very high89.4Confident12 Ų1226.8 Ų26.812%0.12417%0.165CC..EExtended strand (participates in β ladder)trans64.8165.9-169.900000114.1
302L94.9Very high89.5Confident1 Ų124.5 Ų24.51%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-162.7119.8172.3171.864.5000106.5L256 R258 A268 T270 C311 V312 I313L256-L302 HydrophobicContact CB-CB 4.42Å; L256-L302 HydrophobicContact CB-CD2 4.36Å; L256-L302 HydrophobicContact CD1-CB 3.91Å; R258-L302 HydrophobicContact CB-CD2 3.9Å; R258-L302 HydrophobicContact CB-CG 4.16Å; R258-L302 HydrophobicContact CG-CB 4.33Å; R258-L302 HydrophobicContact CG-CD2 3.88Å; R258-L302 HydrophobicContact CG-CG 3.94Å; R258-L302 WeakPolarHBondContact CG-O 3.47Å; A268-L302 HydrophobicContact CB-CD1 3.9Å; A268-L302 HydrophobicContact CB-CD2 3.73Å; A268-L302 HydrophobicContact CB-CG 4.33Å; T270-L302 HydrophobicContact CG2-CB 4.25Å; T270-L302 HydrophobicContact CG2-CD2 4.19Å; L302-C311 HydrophobicContact CD1-CB 4.31Å; L302-V312 WeakPolarHBondContact CA-O 3.43Å; L302-I313 HydrophobicContact CD1-CD1 4.14Å; L302-I313 HydrophobicContact CD1-CG1 3.8Å
303S96.8Very high89.7Confident7 Ų724.3 Ų24.35%0.04915%0.152CC..EExtended strand (participates in β ladder)trans-140151.2178.5-1610000110.9E23 F24 C311 V312E23-S303 VanDerWaalsContact OE2-CB 3.24Å; E23-S303 WeakPolarHBondContact OE2-CB 3.31Å; E23-S303 PolarHBondContact OE2-OG 3.28Å; F24-S303 PolarHBondContact N-OG 3.13Å; S303-C311 CarbonylContact O-C 3.59Å; S303-C311 VanDerWaalsContact O-CA 3.26Å; S303-C311 WeakPolarHBondContact O-CA 3.5Å; S303-C311 WeakPolarHBondContact O-CB 3.4Å; S303-V312 PolarHBondContact N-O 3.45Å; S303-V312 VanDerWaalsContact N-O 3.13Å; S303-V312 PolarHBondContact O-N 2.96Å
304W96.3Very high89.7Confident8 Ų820.8 Ų20.83%0.0314%0.135CC..EExtended strand (participates in β ladder)trans-104.7139.2178.6-76.294.4000109.8F24 R258 T261 L266 A268 I282 C311 T324F24-W304 WeakPolarHBondContact CB-O 3.25Å; F24-W304 VanDerWaalsContact CD2-C 3.5Å; R258-W304 PolarHBondContact O-NE1 2.92Å; T261-W304 HydrophobicContact CG2-CB 4.17Å; L266-W304 HydrophobicContact CD1-CH2 4.41Å; L266-W304 HydrophobicContact CD2-CH2 3.59Å; L266-W304 HydrophobicContact CD2-CZ2 4.46Å; L266-W304 HydrophobicContact CD2-CZ3 3.68Å; L266-W304 HydrophobicContact CG-CH2 3.73Å; L266-W304 HydrophobicContact CG-CZ2 4.25Å; L266-W304 HydrophobicContact CG-CZ3 4.33Å; A268-W304 HydrophobicContact CB-CZ2 3.57Å; I282-W304 HydrophobicContact CD1-CH2 4.25Å; I282-W304 HydrophobicContact CG2-CH2 3.76Å; I282-W304 HydrophobicContact CG2-CZ2 4.2Å; W304-C311 HydrophobicContact CD2-CB 3.87Å; W304-C311 HydrophobicContact CE3-CB 3.87Å; W304-C311 HydrophobicContact CG-CB 4.42Å; W304-C311 HydrophobicContact CH2-CB 4.32Å; W304-C311 HydrophobicContact CZ2-CB 4.34Å; W304-C311 HydrophobicContact CZ3-CB 4.1Å; W304-T324 HydrophobicContact CZ3-CG2 4.48Å
305H95Very high89.7Confident0 Ų020.7 Ų20.70%013%0.134CC..  trans-58.5144.8168.7-164.5-98.2000109.7F24 F51 E54 T261 T307 L308 L310F24-H305 AromaticContact CD1-CD2 3.95Å; F24-H305 AromaticContact CE1-CD2 3.63Å; F24-H305 HydrophobicContact CE2-CB 4.28Å; F24-H305 HydrophobicContact CZ-CB 4.5Å; F24-H305 AromaticContact CZ-CD2 3.84Å; F51-H305 AromaticContact CE2-CD2 3.73Å; F51-H305 AromaticContact CE2-NE2 3.96Å; E54-H305 IonicContact OE1-CE1 3.17Å; E54-H305 PolarHBondContact OE1-CE1 2.86Å; E54-H305 IonicContact OE1-NE2 2.88Å; E54-H305 IonicContact OE2-CE1 3.96Å; T261-H305 PolarHBondContact OG1-O 2.79Å; H305-T307 VanDerWaalsContact C-N 3.34Å; H305-T307 PolarHBondContact CE1-OG1 2.82Å; H305-T307 VanDerWaalsContact CE1-OG1 3.29Å; H305-T307 PolarHBondContact ND1-N 3.2Å; H305-T307 PolarHBondContact ND1-OG1 2.68Å; H305-T307 PolarHBondContact O-N 2.94Å; H305-L308 HydrophobicContact CB-CB 3.99Å; H305-L308 WeakPolarHBondContact ND1-CB 3.49Å; H305-L308 WeakPolarHBondContact ND1-CG 3.5Å; H305-L308 PolarHBondContact ND1-N 3.24Å; H305-L310 HydrophobicContact CB-CB 4.02Å; H305-L310 HydrophobicContact CB-CD2 4.24Å; H305-L310 WeakPolarHBondContact CB-O 3.23Å; H305-L310 PolarHBondContact N-O 2.97Å
306R92.4Very high89.7Confident56 Ų5621 Ų2121%0.21113%0.13CC..SBendtrans-62.5-39.8-173.7-173.6179.964.995.1-1.4113.2P26 F27 E28 T261 I262P26-R306 WeakPolarHBondContact O-CD 3.27Å; F27-R306 WeakPolarHBondContact O-CD 3.46Å; E28-R306 IonicContact OE1-NH1 3.07Å; T261-R306 PolarHBondContact OG1-O 2.86Å; I262-R306 VanDerWaalsContact CG2-O 3.28Å; I262-R306 WeakPolarHBondContact CG2-O 3.27Å
307T91.6Very high90.1Very high60 Ų6023.5 Ų23.537%0.36814%0.141SC..SBendtrans-121.3-16-168.851.70000113.8H305H305-T307 VanDerWaalsContact C-N 3.34Å; H305-T307 PolarHBondContact CE1-OG1 2.82Å; H305-T307 VanDerWaalsContact CE1-OG1 3.29Å; H305-T307 PolarHBondContact ND1-N 3.2Å; H305-T307 PolarHBondContact ND1-OG1 2.68Å; H305-T307 PolarHBondContact O-N 2.94Å
308L92.6Very high90.9Very high21 Ų2125 Ų2511%0.1114%0.138CC..SBendtrans-105.2151.5-176.7-63.4176.2000110.3F51 E53 E54 H305 L310F51-L308 HydrophobicContact CB-CD1 4.05Å; F51-L308 HydrophobicContact CD2-CD1 3.74Å; F51-L308 HydrophobicContact CG-CD1 4.09Å; E53-L308 HydrophobicContact CB-CD1 4.44Å; E53-L308 HydrophobicContact CB-CD2 4.1Å; E54-L308 HydrophobicContact CG-CD1 3.69Å; E54-L308 HydrophobicContact CG-CD2 3.82Å; E54-L308 HydrophobicContact CG-CG 3.96Å; H305-L308 HydrophobicContact CB-CB 3.99Å; H305-L308 WeakPolarHBondContact ND1-CB 3.49Å; H305-L308 WeakPolarHBondContact ND1-CG 3.5Å; H305-L308 PolarHBondContact ND1-N 3.24Å; L308-L310 HydrophobicContact CB-CB 3.89Å; L308-L310 HydrophobicContact CD1-CD1 4.26Å; L308-L310 PolarHBondContact O-N 2.83Å
309P93.4Very high91.9Very high29 Ų2921.4 Ų21.419%0.18812%0.116CC..SBendtrans-74.557.1168.233.5-36.6000111.4I262 T324 V326I262-P309 HydrophobicContact CD1-CB 3.77Å; I262-P309 HydrophobicContact CD1-CG 4.39Å; P309-T324 HydrophobicContact CB-CG2 3.85Å; P309-T324 WeakPolarHBondContact CB-O 3.5Å; P309-T324 WeakPolarHBondContact CG-O 3.35Å; P309-T324 WeakPolarHBondContact O-CG2 3.33Å; P309-T324 PolarHBondContact O-N 3.3Å; P309-V326 HydrophobicContact CB-CG2 3.37Å; P309-V326 HydrophobicContact CG-CG2 3.99Å
310L93.7Very high93Very high0 Ų021.9 Ų21.90%012%0.115CC..EExtended strand (participates in β ladder)trans-130.9130.9-171.1-175159.7000108.9Y11 F24 F51 H305 L308 F321 W322 V323Y11-L310 HydrophobicContact CD2-CD1 4.37Å; Y11-L310 HydrophobicContact CE2-CD1 4.29Å; F24-L310 HydrophobicContact CE2-CD2 4.16Å; F24-L310 HydrophobicContact CZ-CD2 4.15Å; F51-L310 HydrophobicContact CD1-CD1 3.51Å; F51-L310 HydrophobicContact CD2-CD1 4.15Å; F51-L310 HydrophobicContact CE1-CD1 3.43Å; F51-L310 VanDerWaalsContact CE1-CD1 3.43Å; F51-L310 HydrophobicContact CE1-CD2 4.15Å; F51-L310 HydrophobicContact CE1-CG 4.47Å; F51-L310 HydrophobicContact CE2-CD1 4.1Å; F51-L310 HydrophobicContact CE2-CD2 4.42Å; F51-L310 HydrophobicContact CG-CD1 3.88Å; F51-L310 HydrophobicContact CZ-CD1 3.74Å; F51-L310 HydrophobicContact CZ-CD2 3.85Å; H305-L310 HydrophobicContact CB-CB 4.02Å; H305-L310 HydrophobicContact CB-CD2 4.24Å; H305-L310 WeakPolarHBondContact CB-O 3.23Å; H305-L310 PolarHBondContact N-O 2.97Å; L308-L310 HydrophobicContact CB-CB 3.89Å; L308-L310 HydrophobicContact CD1-CD1 4.26Å; L308-L310 PolarHBondContact O-N 2.83Å; L310-F321 HydrophobicContact CD2-CB 4.09Å; L310-F321 HydrophobicContact CD2-CD1 3.72Å; L310-F321 HydrophobicContact CD2-CG 4.36Å; L310-W322 VanDerWaalsContact CA-O 3.31Å; L310-W322 WeakPolarHBondContact CA-O 3.43Å; L310-V323 HydrophobicContact CD1-CG2 3.74Å; L310-V323 HydrophobicContact CG-CG2 4.08Å
311C94.7Very high93.5Very high0 Ų020.9 Ų20.90%011%0.108CC..EExtended strand (participates in β ladder)trans-118.9149.9172.968.30000111.4L302 S303 W304 F321 W322L302-C311 HydrophobicContact CD1-CB 4.31Å; S303-C311 CarbonylContact O-C 3.59Å; S303-C311 VanDerWaalsContact O-CA 3.26Å; S303-C311 WeakPolarHBondContact O-CA 3.5Å; S303-C311 WeakPolarHBondContact O-CB 3.4Å; W304-C311 HydrophobicContact CD2-CB 3.87Å; W304-C311 HydrophobicContact CE3-CB 3.87Å; W304-C311 HydrophobicContact CG-CB 4.42Å; W304-C311 HydrophobicContact CH2-CB 4.32Å; W304-C311 HydrophobicContact CZ2-CB 4.34Å; W304-C311 HydrophobicContact CZ3-CB 4.1Å; C311-F321 WeakPolarHBondContact O-CA 3.4Å; C311-W322 PolarHBondContact N-O 3.26Å; C311-W322 PolarHBondContact O-N 2.73Å
312V96.1Very high93.7Very high0 Ų020.6 Ų20.60%010%0.103CC..EExtended strand (participates in β ladder)trans-113.6141.7175.465.20000110.5V22 F24 I36 L302 S303 L319 L320 F321V22-V312 HydrophobicContact CG1-CG1 4Å; V22-V312 HydrophobicContact CG1-CG2 4.4Å; V22-V312 HydrophobicContact CG2-CG1 3.7Å; V22-V312 HydrophobicContact CG2-CG2 4.05Å; F24-V312 HydrophobicContact CD2-CB 4.47Å; F24-V312 HydrophobicContact CD2-CG1 3.64Å; F24-V312 HydrophobicContact CE2-CB 3.71Å; F24-V312 HydrophobicContact CE2-CG1 3.36Å; F24-V312 HydrophobicContact CZ-CB 4.31Å; F24-V312 HydrophobicContact CZ-CG1 4.22Å; I36-V312 HydrophobicContact CD1-CG1 4.14Å; I36-V312 HydrophobicContact CD1-CG2 4.18Å; L302-V312 WeakPolarHBondContact CA-O 3.43Å; S303-V312 PolarHBondContact N-O 3.45Å; S303-V312 VanDerWaalsContact N-O 3.13Å; S303-V312 PolarHBondContact O-N 2.96Å; V312-L319 HydrophobicContact CG2-CB 4.15Å; V312-L319 HydrophobicContact CG2-CD2 4.38Å; V312-L320 WeakPolarHBondContact CA-O 3.34Å; V312-F321 HydrophobicContact CB-CD1 3.63Å; V312-F321 HydrophobicContact CB-CE1 3.68Å; V312-F321 HydrophobicContact CG2-CD1 3.64Å; V312-F321 HydrophobicContact CG2-CE1 3.39Å; V312-F321 HydrophobicContact CG2-CG 4.36Å; V312-F321 HydrophobicContact CG2-CZ 3.89Å
313I95.1Very high93.6Very high2 Ų222.4 Ų22.41%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-129134.8167.4-62174.2000107.5T270 F280 V296 L302 L320 W322T270-I313 HydrophobicContact CG2-CD1 4.25Å; F280-I313 HydrophobicContact CB-CD1 3.46Å; F280-I313 VanDerWaalsContact CB-CD1 3.46Å; F280-I313 HydrophobicContact CD1-CD1 3.43Å; F280-I313 VanDerWaalsContact CD1-CD1 3.43Å; F280-I313 HydrophobicContact CD2-CD1 3.58Å; F280-I313 HydrophobicContact CE1-CD1 4.07Å; F280-I313 HydrophobicContact CE2-CD1 4.23Å; F280-I313 HydrophobicContact CG-CD1 3.16Å; F280-I313 HydrophobicContact CZ-CD1 4.47Å; V296-I313 HydrophobicContact CG2-CG2 4.14Å; L302-I313 HydrophobicContact CD1-CD1 4.14Å; L302-I313 HydrophobicContact CD1-CG1 3.8Å; I313-L320 PolarHBondContact N-O 2.79Å; I313-L320 PolarHBondContact O-N 2.79Å; I313-W322 HydrophobicContact CB-CZ3 3.89Å; I313-W322 HydrophobicContact CD1-CZ3 4.2Å; I313-W322 HydrophobicContact CG1-CZ3 4.18Å
314G93Very high93.2Very high0 Ų022.4 Ų22.40%011%0.114CC..EExtended strand (participates in β ladder)trans-82.3149.6171.200000110.9G299 S300 K318G299-G314 CarbonylContact C-O 3.59Å; G299-G314 WeakPolarHBondContact CA-O 3.31Å; S300-G314 PolarHBondContact N-O 2.92Å; S300-G314 WeakPolarHBondContact O-CA 3.32Å; S300-G314 PolarHBondContact O-N 3.28Å; S300-G314 PolarHBondContact OG-O 3.29Å; G314-K318 WeakPolarHBondContact CA-O 3.38Å
315G85.6Confident92.4Very high2 Ų230.7 Ų30.72%0.02115%0.153CC..EExtended strand (participates in β ladder)trans176.8144.3168.500000113.2V298 H317 K318V298-G315 WeakPolarHBondContact O-CA 3.22Å; G315-H317 PolarHBondContact O-N 3.09Å; G315-K318 PolarHBondContact N-O 2.82Å; G315-K318 WeakPolarHBondContact O-CA 3.23Å; G315-K318 WeakPolarHBondContact O-CB 3.4Å; G315-K318 PolarHBondContact O-N 3.23Å
316D87.9Confident91.1Very high73 Ų7336.8 Ų36.839%0.3919%0.19SC..THydrogen-bonded Turntrans34.469.8176-165.633.9000114.2Y18 A297 K318Y18-D316 WeakPolarHBondContact CE1-OD1 3.38Å; A297-D316 HydrophobicContact CB-CB 4.43Å; D316-K318 PolarHBondContact O-N 3.13Å
317H93.5Very high91Very high59 Ų5935.8 Ų35.827%0.27319%0.189SC..THydrogen-bonded Turntrans6023.2-179.1-59.2-95.1000115.1C15 E16 D17 Y18 G315C15-H317 WeakPolarHBondContact CA-O 3.23Å; C15-H317 WeakPolarHBondContact CB-O 3.5Å; C15-H317 PolarHBondContact N-O 3.13Å; E16-H317 PolarHBondContact O-ND1 3.01Å; D17-H317 VanDerWaalsContact C-ND1 3.27Å; D17-H317 VanDerWaalsContact CA-CE1 3.47Å; D17-H317 WeakPolarHBondContact CA-CE1 3.35Å; D17-H317 WeakPolarHBondContact CA-ND1 3.35Å; Y18-H317 AromaticContact CD2-NE2 3.67Å; Y18-H317 AromaticContact CE2-NE2 3.36Å; Y18-H317 WeakPolarHBondContact CE2-NE2 3.36Å; Y18-H317 AromaticContact CZ-NE2 3.56Å; G315-H317 PolarHBondContact O-N 3.09Å
318K94.9Very high91Very high85 Ų8534.5 Ų34.537%0.3718%0.18SC..EExtended strand (participates in β ladder)trans-139.5150.9-178.3-63.9177.7177.6-1740113.2T12 V13 D14 G314 G315 D316 L320T12-K318 HydrophobicContact CG2-CB 4.29Å; T12-K318 HydrophobicContact CG2-CD 3.84Å; T12-K318 HydrophobicContact CG2-CG 4.2Å; V13-K318 CarbonylContact O-C 3.49Å; V13-K318 WeakPolarHBondContact O-CA 3.42Å; D14-K318 VanDerWaalsContact OD1-CE 3.24Å; D14-K318 WeakPolarHBondContact OD1-CE 3.48Å; G314-K318 WeakPolarHBondContact CA-O 3.38Å; G315-K318 PolarHBondContact N-O 2.82Å; G315-K318 WeakPolarHBondContact O-CA 3.23Å; G315-K318 WeakPolarHBondContact O-CB 3.4Å; G315-K318 PolarHBondContact O-N 3.23Å; D316-K318 PolarHBondContact O-N 3.13Å; K318-L320 HydrophobicContact CB-CD2 4.41Å; K318-L320 HydrophobicContact CB-CG 4.3Å
319L95.7Very high90.9Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-101.9125.7156.6-58.3174.5000108T12 V13 V19 V22 I36 Y38 V312 F321T12-L319 WeakPolarHBondContact CA-O 3.44Å; V13-L319 HydrophobicContact CB-CB 4.25Å; V13-L319 PolarHBondContact N-O 3.01Å; V13-L319 PolarHBondContact O-N 2.84Å; V19-L319 HydrophobicContact CG1-CD2 4.07Å; V19-L319 HydrophobicContact CG2-CD2 4.08Å; V22-L319 HydrophobicContact CB-CD2 4.19Å; V22-L319 HydrophobicContact CG2-CD2 3.88Å; I36-L319 HydrophobicContact CD1-CD1 4.17Å; Y38-L319 HydrophobicContact CD1-CD1 3.82Å; Y38-L319 HydrophobicContact CD1-CD2 4.39Å; Y38-L319 HydrophobicContact CD1-CG 4.48Å; Y38-L319 HydrophobicContact CE1-CD1 4.1Å; Y38-L319 HydrophobicContact CG-CD2 4.31Å; V312-L319 HydrophobicContact CG2-CB 4.15Å; V312-L319 HydrophobicContact CG2-CD2 4.38Å; L319-F321 HydrophobicContact CB-CE2 3.75Å; L319-F321 HydrophobicContact CB-CZ 3.81Å; L319-F321 HydrophobicContact CD1-CZ 4.28Å
320L95.4Very high90.8Very high24 Ų2435.6 Ų35.613%0.12618%0.183CC..EExtended strand (participates in β ladder)trans-115.8129.8-178.8-62.2164.9000108.5A9 T12 V296 V312 I313 K318 W322A9-L320 HydrophobicContact CB-CB 4.06Å; A9-L320 HydrophobicContact CB-CD2 3.97Å; T12-L320 HydrophobicContact CG2-CD2 3.78Å; T12-L320 WeakPolarHBondContact OG1-CD2 3.47Å; V296-L320 HydrophobicContact CB-CD1 4.21Å; V296-L320 HydrophobicContact CG1-CD1 3.62Å; V296-L320 HydrophobicContact CG2-CD1 3.68Å; V312-L320 WeakPolarHBondContact CA-O 3.34Å; I313-L320 PolarHBondContact N-O 2.79Å; I313-L320 PolarHBondContact O-N 2.79Å; K318-L320 HydrophobicContact CB-CD2 4.41Å; K318-L320 HydrophobicContact CB-CG 4.3Å; L320-W322 VanDerWaalsContact C-CZ3 3.47Å; L320-W322 HydrophobicContact CB-CE3 4.32Å; L320-W322 HydrophobicContact CB-CH2 3.19Å; L320-W322 HydrophobicContact CB-CZ2 4.07Å; L320-W322 HydrophobicContact CB-CZ3 3.34Å; L320-W322 HydrophobicContact CD1-CH2 3.83Å; L320-W322 HydrophobicContact CG-CH2 4.11Å; L320-W322 WeakPolarHBondContact O-CZ3 3.46Å
321F95.2Very high90.6Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-116.8134.7-175.2-54.5-91.5000110.5A9 A10 Y11 V13 F24 I36 F51 I61 L310 C311 V312 L319A9-F321 CarbonylContact C-O 3.03Å; A9-F321 WeakPolarHBondContact CA-O 3.29Å; A10-F321 PolarHBondContact N-O 3.11Å; Y11-F321 HydrophobicContact CD2-CB 4.17Å; Y11-F321 PolarHBondContact N-O 2.61Å; Y11-F321 PolarHBondContact O-N 2.86Å; V13-F321 HydrophobicContact CB-CE2 4.27Å; V13-F321 HydrophobicContact CG2-CE2 3.81Å; V13-F321 HydrophobicContact CG2-CZ 4.47Å; F24-F321 HydrophobicContact CE2-CE1 4.36Å; F24-F321 HydrophobicContact CZ-CD1 4.08Å; F24-F321 AromaticContact CZ-CE1 3.69Å; F24-F321 HydrophobicContact CZ-CE1 3.69Å; I36-F321 HydrophobicContact CD1-CE1 3.98Å; I36-F321 HydrophobicContact CD1-CZ 4.22Å; F51-F321 HydrophobicContact CE1-CB 4.46Å; F51-F321 AromaticContact CE1-CD1 4Å; F51-F321 HydrophobicContact CE1-CD1 4Å; F51-F321 HydrophobicContact CE1-CE1 4.39Å; F51-F321 HydrophobicContact CE1-CG 4.11Å; F51-F321 AromaticContact CZ-CD1 3.85Å; F51-F321 HydrophobicContact CZ-CD1 3.85Å; F51-F321 AromaticContact CZ-CE1 3.97Å; F51-F321 HydrophobicContact CZ-CE1 3.97Å; F51-F321 HydrophobicContact CZ-CG 4.43Å; I61-F321 HydrophobicContact CD1-CD2 3.95Å; I61-F321 HydrophobicContact CD1-CE2 3.68Å; I61-F321 HydrophobicContact CD1-CZ 4.02Å; L310-F321 HydrophobicContact CD2-CB 4.09Å; L310-F321 HydrophobicContact CD2-CD1 3.72Å; L310-F321 HydrophobicContact CD2-CG 4.36Å; C311-F321 WeakPolarHBondContact O-CA 3.4Å; V312-F321 HydrophobicContact CB-CD1 3.63Å; V312-F321 HydrophobicContact CB-CE1 3.68Å; V312-F321 HydrophobicContact CG2-CD1 3.64Å; V312-F321 HydrophobicContact CG2-CE1 3.39Å; V312-F321 HydrophobicContact CG2-CG 4.36Å; V312-F321 HydrophobicContact CG2-CZ 3.89Å; L319-F321 HydrophobicContact CB-CE2 3.75Å; L319-F321 HydrophobicContact CB-CZ 3.81Å; L319-F321 HydrophobicContact CD1-CZ 4.28Å
322W94.2Very high90.3Very high5 Ų540.4 Ų40.42%0.01921%0.208CC..EExtended strand (participates in β ladder)trans-121.4127.5174.1-69.5-97.7000110R7 N8 A9 F280 I282 L292 V296 L310 C311 I313 L320R7-W322 PolarHBondContact O-NE1 3.38Å; N8-W322 PolarHBondContact O-NE1 3.02Å; A9-W322 HydrophobicContact CB-CD2 4.29Å; A9-W322 HydrophobicContact CB-CH2 4.33Å; A9-W322 HydrophobicContact CB-CZ2 3.81Å; F280-W322 HydrophobicContact CD1-CH2 4.38Å; F280-W322 HydrophobicContact CD1-CZ2 4.42Å; F280-W322 AromaticContact CE1-CD2 3.72Å; F280-W322 HydrophobicContact CE1-CD2 3.72Å; F280-W322 AromaticContact CE1-CE2 3.37Å; F280-W322 AromaticContact CE1-CE3 3.97Å; F280-W322 HydrophobicContact CE1-CE3 3.97Å; F280-W322 HydrophobicContact CE1-CG 4.42Å; F280-W322 AromaticContact CE1-CH2 3.59Å; F280-W322 HydrophobicContact CE1-CH2 3.59Å; F280-W322 AromaticContact CE1-CZ2 3.33Å; F280-W322 HydrophobicContact CE1-CZ2 3.33Å; F280-W322 AromaticContact CE1-CZ3 3.91Å; F280-W322 HydrophobicContact CE1-CZ3 3.91Å; F280-W322 AromaticContact CE1-NE1 3.89Å; F280-W322 HydrophobicContact CE2-CD2 4.04Å; F280-W322 HydrophobicContact CE2-CE3 4.25Å; F280-W322 HydrophobicContact CE2-CG 4.15Å; F280-W322 HydrophobicContact CZ-CB 4.32Å; F280-W322 AromaticContact CZ-CD1 3.7Å; F280-W322 AromaticContact CZ-CD2 3.18Å; F280-W322 HydrophobicContact CZ-CD2 3.18Å; F280-W322 AromaticContact CZ-CE2 3.24Å; F280-W322 AromaticContact CZ-CE3 3.63Å; F280-W322 HydrophobicContact CZ-CE3 3.63Å; F280-W322 AromaticContact CZ-CG 3.5Å; F280-W322 HydrophobicContact CZ-CG 3.5Å; F280-W322 VanDerWaalsContact CZ-CG 3.5Å; F280-W322 HydrophobicContact CZ-CH2 4.11Å; F280-W322 AromaticContact CZ-CZ2 3.74Å; F280-W322 HydrophobicContact CZ-CZ2 3.74Å; F280-W322 HydrophobicContact CZ-CZ3 4.07Å; F280-W322 AromaticContact CZ-NE1 3.52Å; I282-W322 HydrophobicContact CD1-CB 4.42Å; L292-W322 HydrophobicContact CD1-CB 4.23Å; L292-W322 HydrophobicContact CD2-CB 4.31Å; L292-W322 HydrophobicContact CD2-CG 4.1Å; V296-W322 HydrophobicContact CG2-CH2 3.55Å; V296-W322 HydrophobicContact CG2-CZ2 4.22Å; V296-W322 HydrophobicContact CG2-CZ3 4.47Å; L310-W322 VanDerWaalsContact CA-O 3.31Å; L310-W322 WeakPolarHBondContact CA-O 3.43Å; C311-W322 PolarHBondContact N-O 3.26Å; C311-W322 PolarHBondContact O-N 2.73Å; I313-W322 HydrophobicContact CB-CZ3 3.89Å; I313-W322 HydrophobicContact CD1-CZ3 4.2Å; I313-W322 HydrophobicContact CG1-CZ3 4.18Å; L320-W322 VanDerWaalsContact C-CZ3 3.47Å; L320-W322 HydrophobicContact CB-CE3 4.32Å; L320-W322 HydrophobicContact CB-CH2 3.19Å; L320-W322 HydrophobicContact CB-CZ2 4.07Å; L320-W322 HydrophobicContact CB-CZ3 3.34Å; L320-W322 HydrophobicContact CD1-CH2 3.83Å; L320-W322 HydrophobicContact CG-CH2 4.11Å; L320-W322 WeakPolarHBondContact O-CZ3 3.46Å
323V92.6Very high89.9Confident39 Ų3943.3 Ų43.324%0.23622%0.223CC..EExtended strand (participates in β ladder)trans-96135.9173.5-173.50000108.2A10 Y11 L310A10-V323 HydrophobicContact CB-CB 4.42Å; A10-V323 HydrophobicContact CB-CG2 3.89Å; Y11-V323 HydrophobicContact CD2-CG2 4.4Å; Y11-V323 HydrophobicContact CE2-CG2 3.74Å; L310-V323 HydrophobicContact CD1-CG2 3.74Å; L310-V323 HydrophobicContact CG-CG2 4.08Å
324T89.2Confident89.5Confident8 Ų846.5 Ų46.55%0.04924%0.239CC..  trans-115142.9167.5-173.20000109.8L266 I282 I291 W304 P309L266-T324 HydrophobicContact CD1-CG2 4.15Å; L266-T324 HydrophobicContact CD2-CG2 3.78Å; I282-T324 HydrophobicContact CG2-CG2 4.48Å; I291-T324 HydrophobicContact CD1-CG2 4.4Å; I291-T324 WeakPolarHBondContact CD1-OG1 3.33Å; W304-T324 HydrophobicContact CZ3-CG2 4.48Å; P309-T324 HydrophobicContact CB-CG2 3.85Å; P309-T324 WeakPolarHBondContact CB-O 3.5Å; P309-T324 WeakPolarHBondContact CG-O 3.35Å; P309-T324 WeakPolarHBondContact O-CG2 3.33Å; P309-T324 PolarHBondContact O-N 3.3Å
325E79.4Confident89.2Confident181 Ų18150.3 Ų50.385%0.84626%0.259SS*.  trans-73.4134.1162.1-65171.4-171.800106.7
326V67.4Low89.6Confident128 Ų12854.7 Ų54.778%0.77628%0.28SS*.  trans-92.50174.3-175.50000109I262 L266 P309I262-V326 HydrophobicContact CD1-CG2 4.26Å; L266-V326 HydrophobicContact CD2-CG2 4.45Å; P309-V326 HydrophobicContact CB-CG2 3.37Å; P309-V326 HydrophobicContact CG-CG2 3.99Å

Retrieved 326 of 326 residues in 68.8 ms (Link to these results)

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