A0A060X1B6_ONCMY Loading...

ELL associated factor 2

AlphaFold DB , UniProt , Accession A0A060X1B6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110501802, Length 272 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
1M35.9Very low57.4Low236 Ų236130.3 Ų130.3100%1.16373%0.728SS**  01230-85.394.5142.700107.8G3M1-G3 PolarHBondContact O-N 3.34Å; M1-G3 VanDerWaalsContact O-N 3.16Å
2N40.9Very low59.8Low165 Ų165131.3 Ų131.388%0.88272%0.723SS**  trans-68.4110.3-178.6-65.4-14000109.1T4N2-T4 PolarHBondContact O-N 3.43Å; N2-T4 VanDerWaalsContact O-N 3.11Å
3G44Very low62.2Low69 Ų69136.5 Ų136.571%0.71174%0.739SS**  trans-64.4107165.600000107.6M1 T5M1-G3 PolarHBondContact O-N 3.34Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.33Å
4T46.6Very low64.2Low103 Ų103131.6 Ų131.663%0.63271%0.709SS**  trans-61.6100.5166.945.40000106.9N2 Y6N2-T4 PolarHBondContact O-N 3.43Å; N2-T4 VanDerWaalsContact O-N 3.11Å; T4-Y6 PolarHBondContact O-N 3.2Å
5T49.4Very low66.2Low124 Ų124131 Ų13176%0.76171%0.711SS**  trans-57.6112168.249.20000106.5G3 S7G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.33Å; T5-S7 PolarHBondContact O-N 3.23Å
6Y53.1Low68.1Low190 Ų190128.7 Ų128.775%0.74570%0.697SS**  trans-67.380.7176.5-69.5-87.6000109T4 H8T4-Y6 PolarHBondContact O-N 3.2Å; Y6-H8 PolarHBondContact O-N 3.23Å
7S57.3Low69.7Low107 Ų107127.2 Ų127.275%0.74868%0.683SS**THydrogen-bonded Turntrans-73.828.5172.6570000112.1T5T5-S7 PolarHBondContact O-N 3.23Å
8H62.5Low71.2Confident115 Ų115126.2 Ų126.253%0.53268%0.676SS.*THydrogen-bonded Turntrans-99.2-11.2-175.9-110.3-99.4000112.9Y6 H92Y6-H8 PolarHBondContact O-N 3.23Å; H8-H92 AromaticContact CE1-CD2 3.99Å; H8-H92 AromaticContact CE1-NE2 3.9Å; H8-H92 AromaticContact CG-CE1 3.96Å; H8-H92 AromaticContact ND1-CD2 3.53Å; H8-H92 AromaticContact ND1-CE1 3.14Å; H8-H92 PolarHBondContact ND1-CE1 3.25Å; H8-H92 AromaticContact ND1-CG 3.85Å; H8-H92 AromaticContact ND1-ND1 3.61Å; H8-H92 AromaticContact ND1-NE2 3.02Å; H8-H92 PolarHBondContact ND1-NE2 3.47Å; H8-H92 PolarHBondContact O-CE1 2.84Å; H8-H92 VanDerWaalsContact O-CE1 3.26Å
9F74.9Confident72.5Confident115 Ų115119.9 Ų119.950%0.50465%0.645SS.*SBendtrans-104.2123.5172.2-67-83.5000107.9V90 Y97F9-V90 HydrophobicContact CE1-CG2 3.75Å; F9-V90 HydrophobicContact CZ-CG2 4.12Å; F9-Y97 HydrophobicContact CD1-CE1 4.04Å; F9-Y97 AromaticContact CE1-CE1 3.95Å; F9-Y97 HydrophobicContact CE1-CE1 3.95Å
10D82.1Confident73.6Confident79 Ų79117.9 Ų117.942%0.42263%0.631SS.*  trans-75.6170.4167.761.944.4000109.9Q12 H14D10-Q12 HydrophobicContact CB-CG 4.4Å; D10-Q12 PolarHBondContact O-N 3.28Å; D10-Q12 WeakPolarHBondContact OD1-CA 3.25Å; D10-Q12 VanDerWaalsContact OD1-CB 3.25Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 2.74Å; D10-H14 IonicContact OD1-CD2 2.67Å; D10-H14 IonicContact OD1-CE1 2.53Å; D10-H14 IonicContact OD1-NE2 3.92Å; D10-H14 PolarHBondContact OD1-NE2 2.87Å; D10-H14 IonicContact OD2-CE1 3.67Å; D10-H14 PolarHBondContact OD2-CE1 3.01Å; D10-H14 IonicContact OD2-NE2 3.55Å; D10-H14 PolarHBondContact OD2-NE2 3.44Å
11S85.1Confident74.6Confident130 Ų130113 Ų11391%0.90961%0.605SS**SBendtrans-88.917.4175.262.70000112.5
12Q86.3Confident77.4Confident142 Ų142104.8 Ų104.866%0.66456%0.563SS**SBendtrans-90.5155.8-178.1-55.7-169.810.100110.8D10 H14D10-Q12 HydrophobicContact CB-CG 4.4Å; D10-Q12 PolarHBondContact O-N 3.28Å; D10-Q12 WeakPolarHBondContact OD1-CA 3.25Å; D10-Q12 VanDerWaalsContact OD1-CB 3.25Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 2.74Å; Q12-H14 PolarHBondContact O-CD2 3.41Å; Q12-H14 VanDerWaalsContact O-CD2 3.28Å
13E90.1Very high79.9Confident200 Ų200101.6 Ų101.694%0.93554%0.543SS*.  trans-78.4125.4172.9-66.9-174.817200110
14H90.5Very high82.3Confident68 Ų68108.6 Ų108.632%0.31555%0.554SS.*  trans-113.8139.4175.7-66.6-81.7000110.8D10 Q12 L16 Y97D10-H14 IonicContact OD1-CD2 2.67Å; D10-H14 IonicContact OD1-CE1 2.53Å; D10-H14 IonicContact OD1-NE2 3.92Å; D10-H14 PolarHBondContact OD1-NE2 2.87Å; D10-H14 IonicContact OD2-CE1 3.67Å; D10-H14 PolarHBondContact OD2-CE1 3.01Å; D10-H14 IonicContact OD2-NE2 3.55Å; D10-H14 PolarHBondContact OD2-NE2 3.44Å; Q12-H14 PolarHBondContact O-CD2 3.41Å; Q12-H14 VanDerWaalsContact O-CD2 3.28Å; H14-L16 PolarHBondContact O-N 3.31Å; H14-Y97 HydrophobicContact CB-CD1 4.34Å; H14-Y97 HydrophobicContact CB-CD2 3.41Å; H14-Y97 VanDerWaalsContact CB-CD2 3.41Å; H14-Y97 HydrophobicContact CB-CE1 4.45Å; H14-Y97 HydrophobicContact CB-CE2 3.56Å; H14-Y97 HydrophobicContact CB-CG 3.84Å; H14-Y97 AromaticContact CD2-CE2 3.53Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 3.25Å; H14-Y97 AromaticContact CE1-CE2 3.76Å; H14-Y97 AromaticContact CG-CD2 3.57Å; H14-Y97 AromaticContact CG-CE2 3.15Å; H14-Y97 AromaticContact CG-CZ 3.62Å; H14-Y97 AromaticContact ND1-CD2 3.85Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.45Å; H14-Y97 AromaticContact NE2-CE2 3.87Å; H14-Y97 AromaticContact NE2-CZ 3.93Å; H14-Y97 PolarHBondContact NE2-OH 2.64Å
15V94.4Very high84.4Confident122 Ų122111.6 Ų111.674%0.73956%0.561SS**PPolyproline II helixtrans-70.7117.4176.2178.10000109.4K17V15-K17 PolarHBondContact O-N 3.32Å
16L96Very high86.4Confident94 Ų94109.2 Ų109.249%0.49255%0.547SS..EExtended strand (participates in β ladder)trans-78.4117.9174.7-173.266.3000110.7H14 L88 L99H14-L16 PolarHBondContact O-N 3.31Å; L16-L88 HydrophobicContact CD1-CD1 3.54Å; L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.46Å; L16-L99 HydrophobicContact CD2-CD2 4.38Å; L16-L99 HydrophobicContact CG-CB 4.38Å
17K96.6Very high88.2Confident103 Ų103108.2 Ų108.245%0.44855%0.547SS..EExtended strand (participates in β ladder)trans-96.5136.8173.6-64.5-177.7-170.91740110.7V15 E96 Y97 R98 L99V15-K17 PolarHBondContact O-N 3.32Å; K17-E96 HydrophobicContact CD-CG 4.13Å; K17-E96 WeakPolarHBondContact CD-OE1 3.35Å; K17-E96 WeakPolarHBondContact CE-OE1 3.37Å; K17-E96 IonicContact NZ-OE1 3.01Å; K17-E96 PolarHBondContact NZ-OE1 3.39Å; K17-Y97 PolarHBondContact N-O 2.78Å; K17-R98 CarbonylContact O-C 3.48Å; K17-R98 VanDerWaalsContact O-CA 3.3Å; K17-R98 WeakPolarHBondContact O-CA 3.11Å; K17-L99 PolarHBondContact O-N 2.82Å
18L96.5Very high89.7Confident109 Ų109105.2 Ų105.257%0.57153%0.532SS*.EExtended strand (participates in β ladder)trans-82.6127.7169.3-58.4-177.9000108.8F22 L99L18-F22 HydrophobicContact CB-CB 4.08Å; L18-F22 HydrophobicContact CB-CD2 4.07Å; L18-F22 HydrophobicContact CB-CG 4.04Å; L18-F22 HydrophobicContact CD1-CD1 4.31Å; L18-F22 HydrophobicContact CD1-CG 4.41Å; L18-F22 HydrophobicContact CD2-CD1 4.4Å; L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE1 4.34Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 HydrophobicContact CD2-CG 4.42Å; L18-F22 HydrophobicContact CD2-CZ 4.27Å; L18-L99 HydrophobicContact CD2-CB 4.23Å; L18-L99 HydrophobicContact CD2-CD2 4.16Å
19G94.8Very high91.2Very high7 Ų7102 Ų1027%0.07253%0.526CS..  trans-81.5-176.2179.400000113.9T21 F22 L99 E100G19-T21 PolarHBondContact O-N 3.37Å; G19-T21 VanDerWaalsContact O-N 3.16Å; G19-F22 PolarHBondContact O-N 3.44Å; G19-L99 PolarHBondContact N-O 2.95Å; G19-E100 VanDerWaalsContact CA-CD 3.49Å; G19-E100 WeakPolarHBondContact CA-OE1 3.33Å; G19-E100 WeakPolarHBondContact CA-OE2 3.35Å
20E94.8Very high92.1Very high80 Ų8099.9 Ų99.937%0.37452%0.515SS..G310 helixtrans-65.1-23.5-170.1-62.1-171.7174.400112.7F22 E23 E100E20-F22 PolarHBondContact O-N 3.42Å; E20-E23 VanDerWaalsContact O-CB 3.3Å; E20-E23 WeakPolarHBondContact O-CB 3.24Å; E20-E23 PolarHBondContact O-N 3.43Å; E20-E100 PolarHBondContact N-OE1 3.44Å; E20-E100 PolarHBondContact N-OE2 3.22Å
21T94.9Very high92.8Very high14 Ų14100.2 Ų100.29%0.08651%0.514CS..G310 helixtrans-67-12.9175.557.30000114.1G19 Y30 E100 K101G19-T21 PolarHBondContact O-N 3.37Å; G19-T21 VanDerWaalsContact O-N 3.16Å; T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 4.03Å; T21-E100 VanDerWaalsContact CB-OE2 3.28Å; T21-E100 WeakPolarHBondContact CB-OE2 3.2Å; T21-E100 HydrophobicContact CG2-CB 4.46Å; T21-E100 VanDerWaalsContact CG2-OE2 3.25Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.44Å; T21-E100 PolarHBondContact N-OE2 3.16Å; T21-E100 WeakPolarHBondContact OG1-CA 3.34Å; T21-E100 PolarHBondContact OG1-OE2 2.94Å; T21-K101 PolarHBondContact OG1-N 2.87Å
22F94.2Very high93.3Very high64 Ų6495.7 Ų95.728%0.28148%0.481SS..G310 helixtrans-90.3-8.8172.9-71.1-94.3000113.2L18 G19 E20 L99 K101L18-F22 HydrophobicContact CB-CB 4.08Å; L18-F22 HydrophobicContact CB-CD2 4.07Å; L18-F22 HydrophobicContact CB-CG 4.04Å; L18-F22 HydrophobicContact CD1-CD1 4.31Å; L18-F22 HydrophobicContact CD1-CG 4.41Å; L18-F22 HydrophobicContact CD2-CD1 4.4Å; L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE1 4.34Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 HydrophobicContact CD2-CG 4.42Å; L18-F22 HydrophobicContact CD2-CZ 4.27Å; G19-F22 PolarHBondContact O-N 3.44Å; E20-F22 PolarHBondContact O-N 3.42Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.35Å; F22-L99 HydrophobicContact CE2-CG 4.21Å; F22-L99 VanDerWaalsContact CE2-O 3.25Å; F22-L99 WeakPolarHBondContact CE2-O 3.08Å; F22-L99 HydrophobicContact CZ-CD2 3.91Å; F22-L99 HydrophobicContact CZ-CG 4.2Å; F22-K101 HydrophobicContact CD1-CD 4.36Å; F22-K101 HydrophobicContact CD1-CG 4.25Å; F22-K101 HydrophobicContact CD2-CG 4.17Å; F22-K101 HydrophobicContact CE1-CD 4.23Å; F22-K101 HydrophobicContact CE1-CG 3.81Å; F22-K101 HydrophobicContact CE2-CG 3.73Å; F22-K101 HydrophobicContact CG-CG 4.41Å; F22-K101 HydrophobicContact CZ-CD 4.43Å; F22-K101 HydrophobicContact CZ-CG 3.53Å
23E94.6Very high93.7Very high99 Ų9992 Ų9246%0.46347%0.468SS..SBendtrans-69.2161177.4-63.6-177.8-178.200112.1E20 Q25E20-E23 VanDerWaalsContact O-CB 3.3Å; E20-E23 WeakPolarHBondContact O-CB 3.24Å; E20-E23 PolarHBondContact O-N 3.43Å; E23-Q25 PolarHBondContact O-N 3.18Å
24K92.9Very high93.9Very high215 Ų21590 Ų9094%0.93545%0.452SS*.SBendtrans-63-30177.1-67.8-176-179.7-1790112.6
25Q92.3Very high94Very high167 Ų16792.8 Ų92.878%0.7846%0.46SS*.SBendtrans-13284.6178.9-69.4-171.7-2.100108.8E23 K27E23-Q25 PolarHBondContact O-N 3.18Å; Q25-K27 PolarHBondContact O-N 3.11Å
26P90.9Very high93.7Very high74 Ų7491.8 Ų91.848%0.48145%0.451SS..  trans-66.5132.2-17827.8-34.2000110.2G28P26-G28 VanDerWaalsContact C-N 3.31Å
27K90.3Very high93.2Very high169 Ų16993.2 Ų93.274%0.73545%0.453SS*.SBendtrans-80.2-14.8177.9-64.7175.5-173.2162.10113.3Q25Q25-K27 PolarHBondContact O-N 3.11Å
28G90.1Very high92.8Very high43 Ų4393.2 Ų93.244%0.44345%0.453SS..  trans-153174-17900000112P26P26-G28 VanDerWaalsContact C-N 3.31Å
29A92.3Very high92.5Very high47 Ų4788.4 Ų88.439%0.38843%0.429SS..  trans-143146.9179.200000110.7N103A29-N103 HydrophobicContact CB-CB 3.93Å
30Y95.2Very high92.4Very high72 Ų7292.7 Ų92.728%0.28246%0.464SS..EExtended strand (participates in β ladder)trans-99.9138.6173.3-66.3-94.9000110.3T21 I87 I89 E100 N103T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 4.03Å; Y30-I87 HydrophobicContact CD1-CD1 3.43Å; Y30-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y30-I87 HydrophobicContact CD2-CD1 4.42Å; Y30-I87 HydrophobicContact CE1-CD1 3.92Å; Y30-I87 HydrophobicContact CG-CD1 3.7Å; Y30-I89 HydrophobicContact CE1-CD1 3.97Å; Y30-E100 HydrophobicContact CD2-CB 3.68Å; Y30-E100 HydrophobicContact CD2-CG 4.09Å; Y30-E100 HydrophobicContact CE2-CB 3.57Å; Y30-E100 VanDerWaalsContact CE2-CD 3.46Å; Y30-E100 HydrophobicContact CE2-CG 3.42Å; Y30-E100 VanDerWaalsContact CE2-CG 3.42Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; Y30-N103 WeakPolarHBondContact O-CB 3.5Å; Y30-N103 PolarHBondContact O-N 2.93Å
31H95.3Very high92.3Very high85 Ų8590.5 Ų90.539%0.39446%0.457SS..EExtended strand (participates in β ladder)trans-132.8146-179.7-57.9-78.2000109.5S104 I106H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.49Å; H31-S104 WeakPolarHBondContact ND1-CB 3.5Å; H31-S104 PolarHBondContact ND1-N 3.06Å; H31-I106 HydrophobicContact CB-CD1 4.04Å
32T95.6Very high92.3Very high36 Ų3690.5 Ų90.522%0.22146%0.456CS..EExtended strand (participates in β ladder)trans-99133.817161.90000109.3Y82 L102 S104 N105 I106T32-Y82 HydrophobicContact CG2-CE2 4.01Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.46Å; T32-Y82 PolarHBondContact OG1-OH 3.26Å; T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.9Å; T32-S104 PolarHBondContact N-O 2.76Å; T32-N105 WeakPolarHBondContact OG1-CA 3.3Å; T32-N105 PolarHBondContact OG1-OD1 3.49Å; T32-I106 WeakPolarHBondContact O-CB 3.45Å; T32-I106 PolarHBondContact O-N 2.96Å
33V95.8Very high92.3Very high65 Ų6589 Ų8939%0.39445%0.451SS..EExtended strand (participates in β ladder)trans-108.3125.4171.1-179.20000108.9I60 I106 V108V33-I60 HydrophobicContact CG1-CD1 3.49Å; V33-I60 VanDerWaalsContact CG1-CD1 3.49Å; V33-I60 HydrophobicContact CG2-CD1 4.44Å; V33-I106 CarbonylContact C-O 3.52Å; V33-I106 WeakPolarHBondContact CA-O 3.29Å; V33-I106 HydrophobicContact CG2-CB 4.16Å; V33-I106 HydrophobicContact CG2-CD1 4.12Å; V33-I106 HydrophobicContact CG2-CG2 4.49Å; V33-V108 HydrophobicContact CG1-CG2 4.31Å
34R94.5Very high92.3Very high157 Ų15789.3 Ų89.359%0.59246%0.46SS*.EExtended strand (participates in β ladder)trans-117.3120.1176.5-64.7-179.968.5-131.22.6109.4I106 V108R34-I106 PolarHBondContact N-O 2.77Å; R34-V108 PolarHBondContact O-N 3.43Å
35Y92.4Very high92.4Very high127 Ų12783.9 Ų83.950%0.49845%0.449SS..EExtended strand (participates in β ladder)trans-105.9149.3170.946.5-93.9000109.8K38Y35-K38 HydrophobicContact CD2-CB 3.95Å; Y35-K38 HydrophobicContact CE2-CB 3.55Å; Y35-K38 HydrophobicContact CE2-CD 4.47Å; Y35-K38 HydrophobicContact CE2-CG 4.49Å
36D87.2Confident92.5Very high101 Ų10179.1 Ų79.154%0.5443%0.433SS..SBendtrans-76.3-33176.656-9.9000112.6K110D36-K110 PolarHBondContact OD1-N 3.16Å
37F86.7Confident92.8Very high123 Ų12384.6 Ų84.654%0.53945%0.453SS..  trans-152.5129.2-178.8179.4-110.2000110.8P39 F75F37-P39 HydrophobicContact CD1-CB 4.22Å; F37-P39 HydrophobicContact CD1-CG 4.5Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.66Å; F37-P39 HydrophobicContact CE1-CG 4.41Å; F37-P39 HydrophobicContact CZ-CB 4.47Å; F37-P39 VanDerWaalsContact O-CD 3.31Å; F37-P39 WeakPolarHBondContact O-CD 3.47Å; F37-F75 VanDerWaalsContact O-CE1 3.29Å; F37-F75 WeakPolarHBondContact O-CE1 3.41Å; F37-F75 WeakPolarHBondContact O-CZ 3.3Å
38K88.5Confident93Very high103 Ų10378.8 Ų78.845%0.44844%0.441SS..  trans-99.5102.5168.3-175.9178.7178-1780108.9Y35 I42 T44Y35-K38 HydrophobicContact CD2-CB 3.95Å; Y35-K38 HydrophobicContact CE2-CB 3.55Å; Y35-K38 HydrophobicContact CE2-CD 4.47Å; Y35-K38 HydrophobicContact CE2-CG 4.49Å; K38-I42 HydrophobicContact CG-CD1 4.1Å; K38-T44 VanDerWaalsContact NZ-CG2 3.33Å
39P90.1Very high93.3Very high9 Ų981.8 Ų81.86%0.05844%0.443CS..  trans-62.6145.9176.422.3-31000111.6F37 S41 I42 T73 K110F37-P39 HydrophobicContact CD1-CB 4.22Å; F37-P39 HydrophobicContact CD1-CG 4.5Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.66Å; F37-P39 HydrophobicContact CE1-CG 4.41Å; F37-P39 HydrophobicContact CZ-CB 4.47Å; F37-P39 VanDerWaalsContact O-CD 3.31Å; F37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-S41 PolarHBondContact O-N 3.24Å; P39-S41 VanDerWaalsContact O-N 3.16Å; P39-I42 HydrophobicContact CG-CD1 3.63Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; P39-I42 PolarHBondContact O-N 3.45Å; P39-T73 HydrophobicContact CG-CG2 4.2Å; P39-K110 HydrophobicContact CG-CD 4.42Å
40A92.1Very high93.5Very high97 Ų9784.1 Ų84.180%0.80245%0.449SS*.THydrogen-bonded Turntrans-63.4-16.917500000113.5I42A40-I42 VanDerWaalsContact C-N 3.27Å; A40-I42 PolarHBondContact O-N 3.44Å
41S92.4Very high93.5Very high33 Ų3385.5 Ų85.523%0.23146%0.458CS..THydrogen-bonded Turntrans-73.5-13.8177.663.30000113.6P39 D43 N64 L65P39-S41 PolarHBondContact O-N 3.24Å; P39-S41 VanDerWaalsContact O-N 3.16Å; S41-D43 PolarHBondContact O-N 3.26Å; S41-N64 CarbonylContact O-C 3.52Å; S41-N64 WeakPolarHBondContact O-CA 3.3Å; S41-N64 WeakPolarHBondContact O-CB 3.4Å; S41-N64 PolarHBondContact O-OD1 3.16Å; S41-N64 PolarHBondContact OG-OD1 3.04Å; S41-L65 PolarHBondContact O-N 2.86Å
42I94.6Very high93.5Very high15 Ų1586 Ų868%0.07747%0.466CS..BIsolated β-bridgetrans-70.7128.7-180-74.6162000109.7K38 P39 A40 T44 L62 T73 F75K38-I42 HydrophobicContact CG-CD1 4.1Å; P39-I42 HydrophobicContact CG-CD1 3.63Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; P39-I42 PolarHBondContact O-N 3.45Å; A40-I42 VanDerWaalsContact C-N 3.27Å; A40-I42 PolarHBondContact O-N 3.44Å; I42-T44 PolarHBondContact O-N 3.47Å; I42-L62 HydrophobicContact CD1-CD1 3.92Å; I42-L62 HydrophobicContact CG1-CB 4.35Å; I42-L62 HydrophobicContact CG2-CB 4.22Å; I42-L62 HydrophobicContact CG2-CD1 4.22Å; I42-T73 HydrophobicContact CD1-CG2 4.44Å; I42-F75 HydrophobicContact CD1-CE2 3.97Å; I42-F75 HydrophobicContact CD1-CZ 4.11Å
43D95.4Very high93.4Very high31 Ų3186.2 Ų86.217%0.16648%0.476CS..  trans-79.6114.5170.1-173.2-6.7000109.5S41 S45 C46 P63 L65S41-D43 PolarHBondContact O-N 3.26Å; D43-S45 VanDerWaalsContact C-N 3.34Å; D43-S45 VanDerWaalsContact CG-OG 3.3Å; D43-S45 WeakPolarHBondContact OD1-CB 3.13Å; D43-S45 PolarHBondContact OD1-N 3.09Å; D43-S45 PolarHBondContact OD1-OG 3.45Å; D43-S45 PolarHBondContact OD2-OG 3.02Å; D43-C46 HydrophobicContact CB-CB 4.49Å; D43-C46 PolarHBondContact OD2-SG 2.92Å; D43-P63 PolarHBondContact N-O 2.82Å; D43-L65 HydrophobicContact CB-CD2 3.79Å; D43-L65 HydrophobicContact CB-CG 4.26Å
44T93.9Very high93.2Very high107 Ų10792.5 Ų92.566%0.65650%0.498SS*.SBendtrans-86-6.4178.857.50000113.6K38 I42K38-T44 VanDerWaalsContact NZ-CG2 3.33Å; I42-T44 PolarHBondContact O-N 3.47Å
45S95.6Very high93.1Very high101 Ų10188.4 Ų88.471%0.70651%0.505SS*.SBendtrans-86-18.417672.90000112.8D43D43-S45 VanDerWaalsContact C-N 3.34Å; D43-S45 VanDerWaalsContact CG-OG 3.3Å; D43-S45 WeakPolarHBondContact OD1-CB 3.13Å; D43-S45 PolarHBondContact OD1-N 3.09Å; D43-S45 PolarHBondContact OD1-OG 3.45Å; D43-S45 PolarHBondContact OD2-OG 3.02Å
46C94.3Very high93.1Very high66 Ų6686 Ų8645%0.44650%0.498SS..SBendtrans-99.5148.6179.2-690000112D43 P63D43-C46 HydrophobicContact CB-CB 4.49Å; D43-C46 PolarHBondContact OD2-SG 2.92Å; C46-P63 HydrophobicContact CB-CB 4.2Å; C46-P63 HydrophobicContact CB-CG 3.38Å
47E95.9Very high93.6Very high190 Ų19087.2 Ų87.289%0.88850%0.5SS*.  trans-71.6150.6174.8-64.2-174.9167.200111.6P63E47-P63 WeakPolarHBondContact O-CD 3.28Å; E47-P63 WeakPolarHBondContact O-CG 3.11Å
48G95.1Very high94.1Very high47 Ų4781.4 Ų81.449%0.48548%0.475SS..  trans-115.3165.1175.100000112.1T61G48-T61 CarbonylContact C-O 3.56Å; G48-T61 VanDerWaalsContact CA-O 3.29Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å
49E96.5Very high94.5Very high105 Ų10577.9 Ų77.949%0.49146%0.462SS..EExtended strand (participates in β ladder)trans-103.1137.4179.3-175.3174.3-151.300110.8E51 I60 T61E49-E51 HydrophobicContact CG-CG 4.19Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.3Å; E49-I60 WeakPolarHBondContact O-CA 3.25Å; E49-T61 PolarHBondContact N-O 3.34Å; E49-T61 PolarHBondContact O-N 2.81Å
50L96.3Very high94.8Very high97 Ų9778.3 Ų78.351%0.50846%0.464SS..EExtended strand (participates in β ladder)trans-123.6113.7175.5174.977.7000108.7V58 T59 I60L50-V58 HydrophobicContact CD1-CG1 3.38Å; L50-V58 HydrophobicContact CG-CG1 4.47Å; L50-T59 WeakPolarHBondContact CA-O 3.48Å; L50-I60 HydrophobicContact CD1-CD1 3.96Å; L50-I60 HydrophobicContact CD1-CG1 3.5Å; L50-I60 VanDerWaalsContact CD1-CG1 3.5Å
51E96.4Very high95Very high101 Ų10175.2 Ų75.247%0.47244%0.435SS..EExtended strand (participates in β ladder)trans-109.4131.5175.6-62.5-174.5148.600110.7E49 V58 T59E49-E51 HydrophobicContact CG-CG 4.19Å; E51-V58 CarbonylContact O-C 3.53Å; E51-V58 WeakPolarHBondContact O-CA 3.37Å; E51-T59 PolarHBondContact N-O 2.85Å; E51-T59 PolarHBondContact O-N 2.86Å
52V94.5Very high95.1Very high94 Ų9475.8 Ų75.857%0.5744%0.435SS*.EExtended strand (participates in β ladder)trans-104.3106.5170.4-174.40000108.4Q57 V58V52-Q57 CarbonylContact C-O 3.6Å; V52-V58 HydrophobicContact CG2-CG2 4.43Å
53G93.2Very high95.2Very high42 Ų4276.5 Ų76.543%0.43344%0.441SS..  trans-84.8-175.4178.400000113.6Q57G53-Q57 PolarHBondContact N-O 2.74Å
54K92.8Very high95.2Very high196 Ų19676 Ų7685%0.85244%0.438SS*.G310 helixtrans-63.9147.4175.8-64-177.2-178.9-178.90110.9E56 Q57K54-E56 VanDerWaalsContact C-N 3.31Å; K54-E56 PolarHBondContact O-N 3.14Å; K54-Q57 PolarHBondContact O-N 2.87Å
55G91.7Very high95.3Very high71 Ų7174.8 Ų74.873%0.73243%0.427SS*.G310 helixtrans64.136.1175.700000113.2Q57G55-Q57 PolarHBondContact O-N 3.24Å; G55-Q57 VanDerWaalsContact O-N 3.14Å
56E92.9Very high95.1Very high77 Ų7779.8 Ų79.836%0.3644%0.439SS..G310 helixtrans63.916.3177.1-49-58.9-176.700115.8K54 S78 K79K54-E56 VanDerWaalsContact C-N 3.31Å; K54-E56 PolarHBondContact O-N 3.14Å; E56-S78 CarbonylContact O-C 3.53Å; E56-S78 WeakPolarHBondContact O-CA 3.38Å; E56-S78 WeakPolarHBondContact O-CB 3.5Å; E56-K79 HydrophobicContact CB-CB 4.33Å; E56-K79 HydrophobicContact CB-CG 4.04Å; E56-K79 HydrophobicContact CG-CG 4.27Å; E56-K79 PolarHBondContact O-N 3.18Å; E56-K79 IonicContact OE1-NZ 2.74Å; E56-K79 PolarHBondContact OE1-NZ 3.31Å; E56-K79 WeakPolarHBondContact OE2-CD 3.35Å; E56-K79 VanDerWaalsContact OE2-CE 3.25Å; E56-K79 WeakPolarHBondContact OE2-CE 3.34Å; E56-K79 WeakPolarHBondContact OE2-CG 3.3Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 3.04Å
57Q96.1Very high94.9Very high126 Ų12680.8 Ų80.859%0.58946%0.461SS*.EExtended strand (participates in β ladder)trans-69.1136.9173.2-68.5-178.841.100109.8V52 G53 K54 G55 G77V52-Q57 CarbonylContact C-O 3.6Å; G53-Q57 PolarHBondContact N-O 2.74Å; K54-Q57 PolarHBondContact O-N 2.87Å; G55-Q57 PolarHBondContact O-N 3.24Å; G55-Q57 VanDerWaalsContact O-N 3.14Å; Q57-G77 WeakPolarHBondContact CA-O 3.28Å
58V97.4Very high94.5Very high1 Ų173.7 Ų73.71%0.00643%0.432CS..EExtended strand (participates in β ladder)trans-125.2130.6178.1-178.50000108.9L50 E51 V52 I60 K76 G77 K79 I106L50-V58 HydrophobicContact CD1-CG1 3.38Å; L50-V58 HydrophobicContact CG-CG1 4.47Å; E51-V58 CarbonylContact O-C 3.53Å; E51-V58 WeakPolarHBondContact O-CA 3.37Å; V52-V58 HydrophobicContact CG2-CG2 4.43Å; V58-I60 HydrophobicContact CG1-CG1 4.25Å; V58-K76 CarbonylContact O-C 3.54Å; V58-K76 WeakPolarHBondContact O-CA 3.4Å; V58-G77 PolarHBondContact N-O 2.82Å; V58-G77 PolarHBondContact O-N 2.99Å; V58-K79 HydrophobicContact CG2-CB 4.16Å; V58-I106 HydrophobicContact CB-CG2 3.89Å; V58-I106 HydrophobicContact CG1-CG2 3.79Å; V58-I106 HydrophobicContact CG2-CG2 4Å
59T96.9Very high94.2Very high30 Ų3079.1 Ų79.118%0.18446%0.457CS..EExtended strand (participates in β ladder)trans-115.3130172.4-56.30000108.6L50 E51 V74 F75 K76L50-T59 WeakPolarHBondContact CA-O 3.48Å; E51-T59 PolarHBondContact N-O 2.85Å; E51-T59 PolarHBondContact O-N 2.86Å; T59-V74 HydrophobicContact CG2-CG1 3.76Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.47Å; T59-K76 HydrophobicContact CG2-CG 4.21Å
60I96.6Very high93.8Very high18 Ų1875.5 Ų75.59%0.09244%0.444CS..EExtended strand (participates in β ladder)trans-118.3122.4174.2-56.6178.4000108V33 E49 L50 V58 L62 V74 F75 V108V33-I60 HydrophobicContact CG1-CD1 3.49Å; V33-I60 VanDerWaalsContact CG1-CD1 3.49Å; V33-I60 HydrophobicContact CG2-CD1 4.44Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.3Å; E49-I60 WeakPolarHBondContact O-CA 3.25Å; L50-I60 HydrophobicContact CD1-CD1 3.96Å; L50-I60 HydrophobicContact CD1-CG1 3.5Å; L50-I60 VanDerWaalsContact CD1-CG1 3.5Å; V58-I60 HydrophobicContact CG1-CG1 4.25Å; I60-L62 HydrophobicContact CG2-CD1 4.46Å; I60-L62 HydrophobicContact CG2-CD2 3.8Å; I60-L62 HydrophobicContact CG2-CG 3.91Å; I60-V74 CarbonylContact O-C 3.59Å; I60-V74 WeakPolarHBondContact O-CA 3.25Å; I60-F75 HydrophobicContact CB-CB 4.25Å; I60-F75 PolarHBondContact N-O 2.75Å; I60-F75 PolarHBondContact O-N 3.32Å; I60-V108 HydrophobicContact CD1-CG1 4.03Å; I60-V108 HydrophobicContact CD1-CG2 4.24Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å
61T96.3Very high93.6Very high31 Ų3176 Ų7619%0.1945%0.453CS..EExtended strand (participates in β ladder)trans-113.2114.4177.4-57.30000108.6G48 E49 V72 V74G48-T61 CarbonylContact C-O 3.56Å; G48-T61 VanDerWaalsContact CA-O 3.29Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å; E49-T61 PolarHBondContact N-O 3.34Å; E49-T61 PolarHBondContact O-N 2.81Å; T61-V72 HydrophobicContact CG2-CB 3.97Å; T61-V72 HydrophobicContact CG2-CG1 4.18Å; T61-V72 HydrophobicContact CG2-CG2 4.19Å; T61-V74 HydrophobicContact CG2-CG2 4.16Å
62L95.6Very high93.5Very high46 Ų4674.3 Ų74.324%0.24145%0.45CS..EExtended strand (participates in β ladder)trans-111.4136.3179.3-58.7-178.9000110.2I42 I60 V72 T73 F75I42-L62 HydrophobicContact CD1-CD1 3.92Å; I42-L62 HydrophobicContact CG1-CB 4.35Å; I42-L62 HydrophobicContact CG2-CB 4.22Å; I42-L62 HydrophobicContact CG2-CD1 4.22Å; I60-L62 HydrophobicContact CG2-CD1 4.46Å; I60-L62 HydrophobicContact CG2-CD2 3.8Å; I60-L62 HydrophobicContact CG2-CG 3.91Å; L62-V72 CarbonylContact O-C 3.46Å; L62-V72 WeakPolarHBondContact O-CA 3.28Å; L62-T73 PolarHBondContact N-O 3.37Å; L62-T73 PolarHBondContact O-N 3.32Å; L62-F75 HydrophobicContact CD1-CE2 4.08Å
63P96.3Very high93.5Very high30 Ų3070 Ų7020%0.19542%0.424CS..EExtended strand (participates in β ladder)trans-66.5147.8174.227.7-33.2000111.2D43 C46 E47D43-P63 PolarHBondContact N-O 2.82Å; C46-P63 HydrophobicContact CB-CB 4.2Å; C46-P63 HydrophobicContact CB-CG 3.38Å; E47-P63 WeakPolarHBondContact O-CD 3.28Å; E47-P63 WeakPolarHBondContact O-CG 3.11Å
64N95.1Very high93.6Very high20 Ų2069.8 Ų69.811%0.10741%0.414CS..BIsolated β-bridgetrans-101.7155.8170.3-71.8-23.5000111S41 A70 P71 T73S41-N64 CarbonylContact O-C 3.52Å; S41-N64 WeakPolarHBondContact O-CA 3.3Å; S41-N64 WeakPolarHBondContact O-CB 3.4Å; S41-N64 PolarHBondContact O-OD1 3.16Å; S41-N64 PolarHBondContact OG-OD1 3.04Å; N64-A70 WeakPolarHBondContact CB-O 3.39Å; N64-A70 PolarHBondContact ND2-O 2.9Å; N64-P71 PolarHBondContact N-O 2.79Å; N64-T73 PolarHBondContact ND2-OG1 2.82Å; N64-T73 PolarHBondContact OD1-OG1 2.78Å
65L95.3Very high93.8Very high82 Ų8260.7 Ų60.743%0.42938%0.375SS..PPolyproline II helixtrans-56.3145.6171.1-63.5170.7000110.9S41 D43 S68S41-L65 PolarHBondContact O-N 2.86Å; D43-L65 HydrophobicContact CB-CD2 3.79Å; D43-L65 HydrophobicContact CB-CG 4.26Å; L65-S68 VanDerWaalsContact O-CB 3.22Å; L65-S68 WeakPolarHBondContact O-CB 2.99Å; L65-S68 PolarHBondContact O-N 2.78Å; L65-S68 VanDerWaalsContact O-N 3.16Å; L65-S68 PolarHBondContact O-OG 3Å
66E92.5Very high94Very high205 Ų20562.9 Ų62.996%0.95836%0.364SS*.THydrogen-bonded Turntrans-54.4139.1175.1-64-173.9164.300111.7S68E66-S68 VanDerWaalsContact C-N 3.31Å
67G88.9Confident94.1Very high88 Ų8860.3 Ų60.391%0.90736%0.358SS*.THydrogen-bonded Turntrans84.1-2.2-176.200000115.1
68S89.3Confident94.1Very high40 Ų4057.4 Ų57.428%0.2835%0.352SS..  trans-65.5153.2169.2-63.70000112L65 E66 A70L65-S68 VanDerWaalsContact O-CB 3.22Å; L65-S68 WeakPolarHBondContact O-CB 2.99Å; L65-S68 PolarHBondContact O-N 2.78Å; L65-S68 VanDerWaalsContact O-N 3.16Å; L65-S68 PolarHBondContact O-OG 3Å; E66-S68 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.25Å
69T87Confident94Very high162 Ų16260.1 Ų60.199%0.99436%0.363SS*.SBendtrans-60.5-33179.2-49.30000113.5
70A89.5Confident93.9Very high28 Ų2867.5 Ų67.523%0.23139%0.388CS..SBendtrans-124.8142.6176.100000109.2N64 S68 V72N64-A70 WeakPolarHBondContact CB-O 3.39Å; N64-A70 PolarHBondContact ND2-O 2.9Å; S68-A70 PolarHBondContact O-N 3.25Å; A70-V72 VanDerWaalsContact C-N 3.29Å; A70-V72 PolarHBondContact O-N 2.55Å
71P91.7Very high93.8Very high107 Ų10770.9 Ų70.970%0.69541%0.411SS*.SBendtrans-70.9-25-177.728.4-35000112.9N64N64-P71 PolarHBondContact N-O 2.79Å
72V94.4Very high93.7Very high66 Ų6671.5 Ų71.540%0.441%0.41SS..EExtended strand (participates in β ladder)trans-136.1154.9-179.6-60.90000111.1T61 L62 A70 V74T61-V72 HydrophobicContact CG2-CB 3.97Å; T61-V72 HydrophobicContact CG2-CG1 4.18Å; T61-V72 HydrophobicContact CG2-CG2 4.19Å; L62-V72 CarbonylContact O-C 3.46Å; L62-V72 WeakPolarHBondContact O-CA 3.28Å; A70-V72 VanDerWaalsContact C-N 3.29Å; A70-V72 PolarHBondContact O-N 2.55Å; V72-V74 HydrophobicContact CG2-CG2 4.27Å
73T94.1Very high93.2Very high5 Ų578 Ų783%0.03144%0.442CS..EExtended strand (participates in β ladder)trans-110.7123.6166.9-65.40000109.2P39 I42 L62 N64 F75 K110P39-T73 HydrophobicContact CG-CG2 4.2Å; I42-T73 HydrophobicContact CD1-CG2 4.44Å; L62-T73 PolarHBondContact N-O 3.37Å; L62-T73 PolarHBondContact O-N 3.32Å; N64-T73 PolarHBondContact ND2-OG1 2.82Å; N64-T73 PolarHBondContact OD1-OG1 2.78Å; T73-F75 HydrophobicContact CG2-CD2 4.03Å; T73-F75 HydrophobicContact CG2-CE2 3.4Å; T73-F75 HydrophobicContact CG2-CZ 3.78Å; T73-K110 HydrophobicContact CG2-CD 4.05Å; T73-K110 HydrophobicContact CG2-CG 3.86Å
74V95Very high92.8Very high37 Ų3786 Ų8622%0.22447%0.473CS..EExtended strand (participates in β ladder)trans-104.6131.9178.5-179.70000109.8T59 I60 T61 V72 K76 T111T59-V74 HydrophobicContact CG2-CG1 3.76Å; I60-V74 CarbonylContact O-C 3.59Å; I60-V74 WeakPolarHBondContact O-CA 3.25Å; T61-V74 HydrophobicContact CG2-CG2 4.16Å; V72-V74 HydrophobicContact CG2-CG2 4.27Å; V74-K76 HydrophobicContact CG1-CG 4.26Å; V74-T111 VanDerWaalsContact CB-OG1 3.29Å; V74-T111 WeakPolarHBondContact CB-OG1 3.38Å; V74-T111 WeakPolarHBondContact CG1-OG1 3.33Å; V74-T111 PolarHBondContact O-N 3.38Å; V74-T111 PolarHBondContact O-OG1 2.83Å
75F96.3Very high92.8Very high5 Ų589.8 Ų89.82%0.02249%0.49CS..EExtended strand (participates in β ladder)trans-113.9138.4170.1-61.4-99.3000109.7F37 I42 T59 I60 L62 T73 V108 K109 K110F37-F75 VanDerWaalsContact O-CE1 3.29Å; F37-F75 WeakPolarHBondContact O-CE1 3.41Å; F37-F75 WeakPolarHBondContact O-CZ 3.3Å; I42-F75 HydrophobicContact CD1-CE2 3.97Å; I42-F75 HydrophobicContact CD1-CZ 4.11Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.47Å; I60-F75 HydrophobicContact CB-CB 4.25Å; I60-F75 PolarHBondContact N-O 2.75Å; I60-F75 PolarHBondContact O-N 3.32Å; L62-F75 HydrophobicContact CD1-CE2 4.08Å; T73-F75 HydrophobicContact CG2-CD2 4.03Å; T73-F75 HydrophobicContact CG2-CE2 3.4Å; T73-F75 HydrophobicContact CG2-CZ 3.78Å; F75-V108 HydrophobicContact CB-CB 3.81Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.07Å; F75-V108 HydrophobicContact CG-CG2 4.11Å; F75-K109 CarbonylContact C-O 3.55Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.28Å; F75-K110 VanDerWaalsContact CD1-CA 3.5Å; F75-K110 HydrophobicContact CD1-CB 3.93Å; F75-K110 VanDerWaalsContact CD1-N 3.35Å; F75-K110 HydrophobicContact CE1-CB 3.68Å; F75-K110 HydrophobicContact CE1-CG 4.24Å; F75-K110 HydrophobicContact CZ-CB 4.38Å; F75-K110 HydrophobicContact CZ-CG 4.48Å
76K96.1Very high92.8Very high116 Ų11688.4 Ų88.450%0.50449%0.487SS..EExtended strand (participates in β ladder)trans-126.7144.3175.8-66.7-169.9179.1-177.40110.7V58 T59 V74 V108 K109 T111V58-K76 CarbonylContact O-C 3.54Å; V58-K76 WeakPolarHBondContact O-CA 3.4Å; T59-K76 HydrophobicContact CG2-CG 4.21Å; V74-K76 HydrophobicContact CG1-CG 4.26Å; K76-V108 WeakPolarHBondContact O-CA 3.38Å; K76-K109 PolarHBondContact N-O 3.35Å; K76-K109 PolarHBondContact O-N 3.16Å; K76-T111 HydrophobicContact CB-CG2 4.03Å; K76-T111 HydrophobicContact CD-CG2 3.96Å; K76-T111 HydrophobicContact CG-CG2 3.83Å
77G95.9Very high93Very high23 Ų2381.1 Ų81.124%0.23745%0.454CS..EExtended strand (participates in β ladder)trans-170.2-159.5-17700000112.6Q57 V58 A107Q57-G77 WeakPolarHBondContact CA-O 3.28Å; V58-G77 PolarHBondContact N-O 2.82Å; V58-G77 PolarHBondContact O-N 2.99Å; G77-A107 WeakPolarHBondContact CA-O 3.23Å
78S95.9Very high93.3Very high65 Ų6581.1 Ų81.146%0.45543%0.433SS..EExtended strand (participates in β ladder)trans-141.8155.6175.760.90000113E56 A107E56-S78 CarbonylContact O-C 3.53Å; E56-S78 WeakPolarHBondContact O-CA 3.38Å; E56-S78 WeakPolarHBondContact O-CB 3.5Å; S78-A107 PolarHBondContact N-O 2.75Å; S78-A107 PolarHBondContact O-N 3.16Å
79K95.1Very high93.6Very high58 Ų5881.8 Ų81.825%0.25243%0.433SS..EExtended strand (participates in β ladder)trans-86.8134.8173.6121176.2-172.4-104.30110E56 V58 N105 I106E56-K79 HydrophobicContact CB-CB 4.33Å; E56-K79 HydrophobicContact CB-CG 4.04Å; E56-K79 HydrophobicContact CG-CG 4.27Å; E56-K79 PolarHBondContact O-N 3.18Å; E56-K79 IonicContact OE1-NZ 2.74Å; E56-K79 PolarHBondContact OE1-NZ 3.31Å; E56-K79 WeakPolarHBondContact OE2-CD 3.35Å; E56-K79 VanDerWaalsContact OE2-CE 3.25Å; E56-K79 WeakPolarHBondContact OE2-CE 3.34Å; E56-K79 WeakPolarHBondContact OE2-CG 3.3Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 3.04Å; V58-K79 HydrophobicContact CG2-CB 4.16Å; K79-N105 CarbonylContact C-O 3.42Å; K79-N105 WeakPolarHBondContact CA-O 3.3Å; K79-I106 HydrophobicContact CB-CG1 4.13Å
80R94.8Very high93.9Very high186 Ų18675.4 Ų75.470%0.70239%0.394SS*.EExtended strand (participates in β ladder)trans-123.7128.2171-175.2-174.6-65.5163.6-1.4109.3S104 N105R80-S104 CarbonylContact O-C 3.54Å; R80-S104 WeakPolarHBondContact O-CA 3.34Å; R80-S104 VanDerWaalsContact O-CB 3.3Å; R80-S104 WeakPolarHBondContact O-CB 3.35Å; R80-N105 PolarHBondContact N-O 2.53Å; R80-N105 PolarHBondContact O-N 2.85Å
81P94.9Very high94Very high89 Ų8976.8 Ų76.858%0.57840%0.397SS*.EExtended strand (participates in β ladder)trans-60142.5177.2-24.534.5000113N103P81-N103 WeakPolarHBondContact CA-O 3.03Å
82Y93.4Very high93.9Very high43 Ų4376.6 Ų76.617%0.16939%0.386CS..  trans-87.9151164.8-77.8-61.6000109.9T32 E85 L102 N103 S104 N105T32-Y82 HydrophobicContact CG2-CE2 4.01Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.46Å; T32-Y82 PolarHBondContact OG1-OH 3.26Å; Y82-E85 HydrophobicContact CD1-CB 4.13Å; Y82-E85 HydrophobicContact CD1-CG 3.87Å; Y82-E85 WeakPolarHBondContact CD1-OE1 3.46Å; Y82-E85 WeakPolarHBondContact CD1-OE2 3.31Å; Y82-E85 HydrophobicContact CE1-CG 4.3Å; Y82-E85 VanDerWaalsContact CE1-OE1 3.28Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.29Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.37Å; Y82-E85 HydrophobicContact CG-CB 4.18Å; Y82-E85 HydrophobicContact CG-CG 4.41Å; Y82-L102 WeakPolarHBondContact CB-O 3.37Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CD2-CD1 4.4Å; Y82-L102 HydrophobicContact CE2-CB 4.01Å; Y82-L102 HydrophobicContact CE2-CD1 4.09Å; Y82-L102 HydrophobicContact CG-CB 4.2Å; Y82-N103 PolarHBondContact N-O 2.89Å; Y82-S104 WeakPolarHBondContact CE2-O 3.29Å; Y82-N105 HydrophobicContact CD2-CB 4.47Å; Y82-N105 HydrophobicContact CE1-CB 3.94Å; Y82-N105 HydrophobicContact CE2-CB 3.74Å; Y82-N105 VanDerWaalsContact CZ-CB 3.44Å; Y82-N105 WeakPolarHBondContact OH-CB 3.49Å; Y82-N105 PolarHBondContact OH-ND2 2.67Å; Y82-N105 VanDerWaalsContact OH-ND2 3.14Å
83M85.9Confident93.8Very high184 Ų18481 Ų8191%0.90641%0.408SS*.SBendtrans-100.4-44.7-177.9-62.7-169.476.400113.2
84K88.4Confident93.7Very high198 Ų19885.2 Ų85.286%0.86143%0.434SS*.SBendtrans-145.423.4-173.5-62.7-173.1179.1-178.80113.1
85E95.3Very high93.4Very high98 Ų9885.3 Ų85.346%0.45844%0.442SS..  trans-90.6142.7180-64.6-169.6-160.200110.9Y82 L102Y82-E85 HydrophobicContact CD1-CB 4.13Å; Y82-E85 HydrophobicContact CD1-CG 3.87Å; Y82-E85 WeakPolarHBondContact CD1-OE1 3.46Å; Y82-E85 WeakPolarHBondContact CD1-OE2 3.31Å; Y82-E85 HydrophobicContact CE1-CG 4.3Å; Y82-E85 VanDerWaalsContact CE1-OE1 3.28Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.29Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.37Å; Y82-E85 HydrophobicContact CG-CB 4.18Å; Y82-E85 HydrophobicContact CG-CG 4.41Å; E85-L102 HydrophobicContact CB-CB 4.14Å; E85-L102 HydrophobicContact CB-CD1 4.08Å; E85-L102 PolarHBondContact O-N 2.87Å
86C95.6Very high93.3Very high54 Ų5488 Ų8837%0.36546%0.455SS..EExtended strand (participates in β ladder)trans-134.2156.4178.1-61.70000109.6L99 E100C86-L99 HydrophobicContact CB-CD1 3.75Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.91Å; C86-E100 CarbonylContact C-O 3.37Å; C86-E100 WeakPolarHBondContact CA-O 3.36Å; C86-E100 VanDerWaalsContact CB-O 3.28Å; C86-E100 WeakPolarHBondContact CB-O 3.22Å
87I95.6Very high93.3Very high51 Ų5183.7 Ų83.726%0.26244%0.435SS..EExtended strand (participates in β ladder)trans-110.5138.7167.254.6172.5000109.4Y30 I89 L99 E100 L102Y30-I87 HydrophobicContact CD1-CD1 3.43Å; Y30-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y30-I87 HydrophobicContact CD2-CD1 4.42Å; Y30-I87 HydrophobicContact CE1-CD1 3.92Å; Y30-I87 HydrophobicContact CG-CD1 3.7Å; I87-I89 HydrophobicContact CD1-CD1 4.17Å; I87-I89 HydrophobicContact CD1-CG1 4.2Å; I87-I89 HydrophobicContact CG1-CG1 4.45Å; I87-L99 WeakPolarHBondContact O-CA 3.25Å; I87-E100 HydrophobicContact CD1-CB 4.41Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.14Å; I87-E100 PolarHBondContact O-N 3.45Å; I87-L102 HydrophobicContact CD1-CD2 4.49Å; I87-L102 HydrophobicContact CG1-CD2 4.5Å; I87-L102 HydrophobicContact CG2-CD1 3.78Å; I87-L102 HydrophobicContact CG2-CD2 3.72Å; I87-L102 HydrophobicContact CG2-CG 3.73Å
88L95.4Very high93.3Very high88 Ų8886.3 Ų86.346%0.46144%0.438SS..EExtended strand (participates in β ladder)trans-95.8119.1168.7-179.263.8000108.3L16 V90 Y97 L99L16-L88 HydrophobicContact CD1-CD1 3.54Å; L88-V90 HydrophobicContact CD2-CG2 4.28Å; L88-V90 HydrophobicContact CG-CG2 4.07Å; L88-Y97 HydrophobicContact CD2-CD1 4.37Å; L88-L99 HydrophobicContact CB-CD1 4.4Å
89I94.6Very high93.4Very high54 Ų5485.1 Ų85.128%0.27743%0.426SS..EExtended strand (participates in β ladder)trans-101.2121.9175-56.7173.2000107.2Y30 I87 R98 E100Y30-I89 HydrophobicContact CE1-CD1 3.97Å; I87-I89 HydrophobicContact CD1-CD1 4.17Å; I87-I89 HydrophobicContact CD1-CG1 4.2Å; I87-I89 HydrophobicContact CG1-CG1 4.45Å; I89-R98 PolarHBondContact N-O 2.76Å; I89-R98 PolarHBondContact O-N 3.45Å; I89-E100 HydrophobicContact CD1-CG 3.97Å
90V94.1Very high93.4Very high29 Ų2982.5 Ų82.518%0.17642%0.415CS..EExtended strand (participates in β ladder)trans-112.2115.2179.2-174.70000108.2F9 L88 E96 Y97F9-V90 HydrophobicContact CE1-CG2 3.75Å; F9-V90 HydrophobicContact CZ-CG2 4.12Å; L88-V90 HydrophobicContact CD2-CG2 4.28Å; L88-V90 HydrophobicContact CG-CG2 4.07Å; V90-E96 WeakPolarHBondContact CA-O 3.17Å; V90-Y97 HydrophobicContact CB-CE1 4.46Å; V90-Y97 HydrophobicContact CG1-CD1 4.24Å; V90-Y97 HydrophobicContact CG1-CD2 4.43Å; V90-Y97 HydrophobicContact CG1-CE1 3.81Å; V90-Y97 HydrophobicContact CG1-CE2 4.01Å; V90-Y97 HydrophobicContact CG2-CD1 3.79Å; V90-Y97 HydrophobicContact CG2-CE1 3.79Å
91N92.6Very high93.5Very high57 Ų5778 Ų7831%0.30540%0.401SS..EExtended strand (participates in β ladder)trans-92.1107.4172.1-174.5-27.5000108.6D93 T94 G95 E96N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.43Å; N91-D93 WeakPolarHBondContact OD1-CA 3.49Å; N91-D93 WeakPolarHBondContact OD1-CB 3.4Å; N91-D93 PolarHBondContact OD1-N 3.41Å; N91-T94 VanDerWaalsContact CB-OG1 3.3Å; N91-T94 WeakPolarHBondContact CB-OG1 3.16Å; N91-T94 PolarHBondContact ND2-OG1 2.75Å; N91-T94 PolarHBondContact OD1-N 2.8Å; N91-T94 VanDerWaalsContact OD1-N 3.09Å; N91-G95 CarbonylContact O-C 3.56Å; N91-G95 VanDerWaalsContact O-CA 3.24Å; N91-G95 WeakPolarHBondContact O-CA 3.3Å; N91-G95 PolarHBondContact O-N 3.33Å; N91-E96 HydrophobicContact CB-CB 4.29Å; N91-E96 PolarHBondContact N-O 3.24Å; N91-E96 PolarHBondContact O-N 2.95Å
92H89.7Confident93.6Very high102 Ų10274.6 Ų74.647%0.47238%0.377SS..THydrogen-bonded Turntrans-71.8-23179.8-67.9-69.6000113.5H8H8-H92 AromaticContact CE1-CD2 3.99Å; H8-H92 AromaticContact CE1-NE2 3.9Å; H8-H92 AromaticContact CG-CE1 3.96Å; H8-H92 AromaticContact ND1-CD2 3.53Å; H8-H92 AromaticContact ND1-CE1 3.14Å; H8-H92 PolarHBondContact ND1-CE1 3.25Å; H8-H92 AromaticContact ND1-CG 3.85Å; H8-H92 AromaticContact ND1-ND1 3.61Å; H8-H92 AromaticContact ND1-NE2 3.02Å; H8-H92 PolarHBondContact ND1-NE2 3.47Å; H8-H92 PolarHBondContact O-CE1 2.84Å; H8-H92 VanDerWaalsContact O-CE1 3.26Å
93D91.9Very high93.6Very high160 Ų16076.4 Ų76.486%0.85639%0.39SS*.THydrogen-bonded Turntrans-76.8-37.6178.7-57.7-37.8000111.4N91N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.43Å; N91-D93 WeakPolarHBondContact OD1-CA 3.49Å; N91-D93 WeakPolarHBondContact OD1-CB 3.4Å; N91-D93 PolarHBondContact OD1-N 3.41Å
94T92.1Very high94.1Very high92 Ų9267.7 Ų67.756%0.56435%0.347SS*.THydrogen-bonded Turntrans-100.1-13.1-179.166.30000114N91 E96N91-T94 VanDerWaalsContact CB-OG1 3.3Å; N91-T94 WeakPolarHBondContact CB-OG1 3.16Å; N91-T94 PolarHBondContact ND2-OG1 2.75Å; N91-T94 PolarHBondContact OD1-N 2.8Å; N91-T94 VanDerWaalsContact OD1-N 3.09Å; T94-E96 PolarHBondContact O-N 2.89Å; T94-E96 VanDerWaalsContact OG1-CB 3.3Å; T94-E96 WeakPolarHBondContact OG1-CB 3.42Å; T94-E96 PolarHBondContact OG1-N 3.42Å
95G88.8Confident94.4Very high39 Ų3959.7 Ų59.740%0.40231%0.314SS..THydrogen-bonded Turntrans69.717.3-17100000113.7N91 Y97N91-G95 CarbonylContact O-C 3.56Å; N91-G95 VanDerWaalsContact O-CA 3.24Å; N91-G95 WeakPolarHBondContact O-CA 3.3Å; N91-G95 PolarHBondContact O-N 3.33Å; G95-Y97 WeakPolarHBondContact O-CD2 3.41Å
96E93.7Very high94.5Very high62 Ų6255.5 Ų55.529%0.2930%0.295SS..EExtended strand (participates in β ladder)trans-85.4129.6-176.2-177.8172.1-136.900112.4K17 V90 N91 T94K17-E96 HydrophobicContact CD-CG 4.13Å; K17-E96 WeakPolarHBondContact CD-OE1 3.35Å; K17-E96 WeakPolarHBondContact CE-OE1 3.37Å; K17-E96 IonicContact NZ-OE1 3.01Å; K17-E96 PolarHBondContact NZ-OE1 3.39Å; V90-E96 WeakPolarHBondContact CA-O 3.17Å; N91-E96 HydrophobicContact CB-CB 4.29Å; N91-E96 PolarHBondContact N-O 3.24Å; N91-E96 PolarHBondContact O-N 2.95Å; T94-E96 PolarHBondContact O-N 2.89Å; T94-E96 VanDerWaalsContact OG1-CB 3.3Å; T94-E96 WeakPolarHBondContact OG1-CB 3.42Å; T94-E96 PolarHBondContact OG1-N 3.42Å
97Y95.7Very high94.5Very high25 Ų2555.4 Ų55.410%0.09830%0.298CS..EExtended strand (participates in β ladder)trans-109109.5174.6-72.4-111.4000108.8F9 H14 K17 L88 V90 G95F9-Y97 HydrophobicContact CD1-CE1 4.04Å; F9-Y97 AromaticContact CE1-CE1 3.95Å; F9-Y97 HydrophobicContact CE1-CE1 3.95Å; H14-Y97 HydrophobicContact CB-CD1 4.34Å; H14-Y97 HydrophobicContact CB-CD2 3.41Å; H14-Y97 VanDerWaalsContact CB-CD2 3.41Å; H14-Y97 HydrophobicContact CB-CE1 4.45Å; H14-Y97 HydrophobicContact CB-CE2 3.56Å; H14-Y97 HydrophobicContact CB-CG 3.84Å; H14-Y97 AromaticContact CD2-CE2 3.53Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 3.25Å; H14-Y97 AromaticContact CE1-CE2 3.76Å; H14-Y97 AromaticContact CG-CD2 3.57Å; H14-Y97 AromaticContact CG-CE2 3.15Å; H14-Y97 AromaticContact CG-CZ 3.62Å; H14-Y97 AromaticContact ND1-CD2 3.85Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.45Å; H14-Y97 AromaticContact NE2-CE2 3.87Å; H14-Y97 AromaticContact NE2-CZ 3.93Å; H14-Y97 PolarHBondContact NE2-OH 2.64Å; K17-Y97 PolarHBondContact N-O 2.78Å; L88-Y97 HydrophobicContact CD2-CD1 4.37Å; V90-Y97 HydrophobicContact CB-CE1 4.46Å; V90-Y97 HydrophobicContact CG1-CD1 4.24Å; V90-Y97 HydrophobicContact CG1-CD2 4.43Å; V90-Y97 HydrophobicContact CG1-CE1 3.81Å; V90-Y97 HydrophobicContact CG1-CE2 4.01Å; V90-Y97 HydrophobicContact CG2-CD1 3.79Å; V90-Y97 HydrophobicContact CG2-CE1 3.79Å; G95-Y97 WeakPolarHBondContact O-CD2 3.41Å
98R96.1Very high94.5Very high78 Ų7853.2 Ų53.229%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-119.5124.2-175.7-174.5172.263.8170.92.1111.6K17 I89 E100K17-R98 CarbonylContact O-C 3.48Å; K17-R98 VanDerWaalsContact O-CA 3.3Å; K17-R98 WeakPolarHBondContact O-CA 3.11Å; I89-R98 PolarHBondContact N-O 2.76Å; I89-R98 PolarHBondContact O-N 3.45Å; R98-E100 HydrophobicContact CG-CG 4.41Å; R98-E100 IonicContact CZ-OE1 2.74Å; R98-E100 IonicContact NE-OE1 3.44Å; R98-E100 IonicContact NH1-OE1 3.83Å
99L96.9Very high94.5Very high40 Ų4056 Ų5621%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-92.7129.8174.1-163.671.5000110.3L16 K17 L18 G19 F22 C86 I87 L88L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.46Å; L16-L99 HydrophobicContact CD2-CD2 4.38Å; L16-L99 HydrophobicContact CG-CB 4.38Å; K17-L99 PolarHBondContact O-N 2.82Å; L18-L99 HydrophobicContact CD2-CB 4.23Å; L18-L99 HydrophobicContact CD2-CD2 4.16Å; G19-L99 PolarHBondContact N-O 2.95Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.35Å; F22-L99 HydrophobicContact CE2-CG 4.21Å; F22-L99 VanDerWaalsContact CE2-O 3.25Å; F22-L99 WeakPolarHBondContact CE2-O 3.08Å; F22-L99 HydrophobicContact CZ-CD2 3.91Å; F22-L99 HydrophobicContact CZ-CG 4.2Å; C86-L99 HydrophobicContact CB-CD1 3.75Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.91Å; I87-L99 WeakPolarHBondContact O-CA 3.25Å; L88-L99 HydrophobicContact CB-CD1 4.4Å
100E97Very high94.4Very high3 Ų357.7 Ų57.71%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-126.7142.3175-63.8-80.6-166.600110.1G19 E20 T21 Y30 C86 I87 I89 R98G19-E100 VanDerWaalsContact CA-CD 3.49Å; G19-E100 WeakPolarHBondContact CA-OE1 3.33Å; G19-E100 WeakPolarHBondContact CA-OE2 3.35Å; E20-E100 PolarHBondContact N-OE1 3.44Å; E20-E100 PolarHBondContact N-OE2 3.22Å; T21-E100 VanDerWaalsContact CB-OE2 3.28Å; T21-E100 WeakPolarHBondContact CB-OE2 3.2Å; T21-E100 HydrophobicContact CG2-CB 4.46Å; T21-E100 VanDerWaalsContact CG2-OE2 3.25Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.44Å; T21-E100 PolarHBondContact N-OE2 3.16Å; T21-E100 WeakPolarHBondContact OG1-CA 3.34Å; T21-E100 PolarHBondContact OG1-OE2 2.94Å; Y30-E100 HydrophobicContact CD2-CB 3.68Å; Y30-E100 HydrophobicContact CD2-CG 4.09Å; Y30-E100 HydrophobicContact CE2-CB 3.57Å; Y30-E100 VanDerWaalsContact CE2-CD 3.46Å; Y30-E100 HydrophobicContact CE2-CG 3.42Å; Y30-E100 VanDerWaalsContact CE2-CG 3.42Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; C86-E100 CarbonylContact C-O 3.37Å; C86-E100 WeakPolarHBondContact CA-O 3.36Å; C86-E100 VanDerWaalsContact CB-O 3.28Å; C86-E100 WeakPolarHBondContact CB-O 3.22Å; I87-E100 HydrophobicContact CD1-CB 4.41Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.14Å; I87-E100 PolarHBondContact O-N 3.45Å; I89-E100 HydrophobicContact CD1-CG 3.97Å; R98-E100 HydrophobicContact CG-CG 4.41Å; R98-E100 IonicContact CZ-OE1 2.74Å; R98-E100 IonicContact NE-OE1 3.44Å; R98-E100 IonicContact NH1-OE1 3.83Å
101K96.1Very high94.3Very high92 Ų9258.8 Ų58.840%0.431%0.307SS..EExtended strand (participates in β ladder)trans-71.9136.5173.3-60.6-179.9-170.7160.90110.5T21 F22T21-K101 PolarHBondContact OG1-N 2.87Å; F22-K101 HydrophobicContact CD1-CD 4.36Å; F22-K101 HydrophobicContact CD1-CG 4.25Å; F22-K101 HydrophobicContact CD2-CG 4.17Å; F22-K101 HydrophobicContact CE1-CD 4.23Å; F22-K101 HydrophobicContact CE1-CG 3.81Å; F22-K101 HydrophobicContact CE2-CG 3.73Å; F22-K101 HydrophobicContact CG-CG 4.41Å; F22-K101 HydrophobicContact CZ-CD 4.43Å; F22-K101 HydrophobicContact CZ-CG 3.53Å
102L96.3Very high93.9Very high17 Ų1763.6 Ų63.69%0.08932%0.321CS..EExtended strand (participates in β ladder)trans-80.6131163.3-74.1175.2000109.3T32 Y82 E85 I87T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.9Å; Y82-L102 WeakPolarHBondContact CB-O 3.37Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CD2-CD1 4.4Å; Y82-L102 HydrophobicContact CE2-CB 4.01Å; Y82-L102 HydrophobicContact CE2-CD1 4.09Å; Y82-L102 HydrophobicContact CG-CB 4.2Å; E85-L102 HydrophobicContact CB-CB 4.14Å; E85-L102 HydrophobicContact CB-CD1 4.08Å; E85-L102 PolarHBondContact O-N 2.87Å; I87-L102 HydrophobicContact CD1-CD2 4.49Å; I87-L102 HydrophobicContact CG1-CD2 4.5Å; I87-L102 HydrophobicContact CG2-CD1 3.78Å; I87-L102 HydrophobicContact CG2-CD2 3.72Å; I87-L102 HydrophobicContact CG2-CG 3.73Å
103N94.2Very high92.8Very high81 Ų8161.7 Ų61.743%0.43332%0.323SS..EExtended strand (participates in β ladder)trans-97-39.7-176-16630.6000112A29 Y30 P81 Y82A29-N103 HydrophobicContact CB-CB 3.93Å; Y30-N103 WeakPolarHBondContact O-CB 3.5Å; Y30-N103 PolarHBondContact O-N 2.93Å; P81-N103 WeakPolarHBondContact CA-O 3.03Å; Y82-N103 PolarHBondContact N-O 2.89Å
104S95.3Very high91Very high1 Ų162.9 Ų62.91%0.00732%0.323CS..EExtended strand (participates in β ladder)trans-151.6152178.2-45.60000114.2H31 T32 R80 Y82H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.49Å; H31-S104 WeakPolarHBondContact ND1-CB 3.5Å; H31-S104 PolarHBondContact ND1-N 3.06Å; T32-S104 PolarHBondContact N-O 2.76Å; R80-S104 CarbonylContact O-C 3.54Å; R80-S104 WeakPolarHBondContact O-CA 3.34Å; R80-S104 VanDerWaalsContact O-CB 3.3Å; R80-S104 WeakPolarHBondContact O-CB 3.35Å; Y82-S104 WeakPolarHBondContact CE2-O 3.29Å
105N95.3Very high89.2Confident31 Ų3161 Ų6117%0.16632%0.322CS..EExtended strand (participates in β ladder)trans-96.1126.3165.9-164.5-15.2000110T32 K79 R80 Y82T32-N105 WeakPolarHBondContact OG1-CA 3.3Å; T32-N105 PolarHBondContact OG1-OD1 3.49Å; K79-N105 CarbonylContact C-O 3.42Å; K79-N105 WeakPolarHBondContact CA-O 3.3Å; R80-N105 PolarHBondContact N-O 2.53Å; R80-N105 PolarHBondContact O-N 2.85Å; Y82-N105 HydrophobicContact CD2-CB 4.47Å; Y82-N105 HydrophobicContact CE1-CB 3.94Å; Y82-N105 HydrophobicContact CE2-CB 3.74Å; Y82-N105 VanDerWaalsContact CZ-CB 3.44Å; Y82-N105 WeakPolarHBondContact OH-CB 3.49Å; Y82-N105 PolarHBondContact OH-ND2 2.67Å; Y82-N105 VanDerWaalsContact OH-ND2 3.14Å
106I96.9Very high87.4Confident9 Ų962.3 Ų62.35%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-110.2106.1176.7-58.3172.1000106.7H31 T32 V33 R34 V58 K79 V108H31-I106 HydrophobicContact CB-CD1 4.04Å; T32-I106 WeakPolarHBondContact O-CB 3.45Å; T32-I106 PolarHBondContact O-N 2.96Å; V33-I106 CarbonylContact C-O 3.52Å; V33-I106 WeakPolarHBondContact CA-O 3.29Å; V33-I106 HydrophobicContact CG2-CB 4.16Å; V33-I106 HydrophobicContact CG2-CD1 4.12Å; V33-I106 HydrophobicContact CG2-CG2 4.49Å; R34-I106 PolarHBondContact N-O 2.77Å; V58-I106 HydrophobicContact CB-CG2 3.89Å; V58-I106 HydrophobicContact CG1-CG2 3.79Å; V58-I106 HydrophobicContact CG2-CG2 4Å; K79-I106 HydrophobicContact CB-CG1 4.13Å; I106-V108 HydrophobicContact CG2-CG1 3.79Å
107A96.1Very high85.5Confident52 Ų5261.5 Ų61.543%0.4333%0.327SS..EExtended strand (participates in β ladder)trans-101.1114.5176.600000109.1G77 S78G77-A107 WeakPolarHBondContact CA-O 3.23Å; S78-A107 PolarHBondContact N-O 2.75Å; S78-A107 PolarHBondContact O-N 3.16Å
108V96.3Very high83.4Confident5 Ų569.5 Ų69.53%0.0336%0.362CS..EExtended strand (participates in β ladder)trans-117.8152.8-178.4-56.80000111.7V33 R34 I60 F75 K76 I106V33-V108 HydrophobicContact CG1-CG2 4.31Å; R34-V108 PolarHBondContact O-N 3.43Å; I60-V108 HydrophobicContact CD1-CG1 4.03Å; I60-V108 HydrophobicContact CD1-CG2 4.24Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å; F75-V108 HydrophobicContact CB-CB 3.81Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.07Å; F75-V108 HydrophobicContact CG-CG2 4.11Å; K76-V108 WeakPolarHBondContact O-CA 3.38Å; I106-V108 HydrophobicContact CG2-CG1 3.79Å
109K95.5Very high81.6Confident147 Ų14772 Ų7264%0.63938%0.38SS*.EExtended strand (participates in β ladder)trans-122.6145.3173-68.1-172.7175.3-179.30110.4F75 K76 T111F75-K109 CarbonylContact C-O 3.55Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.28Å; K76-K109 PolarHBondContact N-O 3.35Å; K76-K109 PolarHBondContact O-N 3.16Å; K109-T111 PolarHBondContact O-N 2.73Å
110K93.2Very high79.6Confident89 Ų8974.7 Ų74.739%0.38739%0.391SS..EExtended strand (participates in β ladder)trans-62.1123.3174.7-170.8-177178.9-169.70109.5D36 P39 T73 F75D36-K110 PolarHBondContact OD1-N 3.16Å; P39-K110 HydrophobicContact CG-CD 4.42Å; T73-K110 HydrophobicContact CG2-CD 4.05Å; T73-K110 HydrophobicContact CG2-CG 3.86Å; F75-K110 VanDerWaalsContact CD1-CA 3.5Å; F75-K110 HydrophobicContact CD1-CB 3.93Å; F75-K110 VanDerWaalsContact CD1-N 3.35Å; F75-K110 HydrophobicContact CE1-CB 3.68Å; F75-K110 HydrophobicContact CE1-CG 4.24Å; F75-K110 HydrophobicContact CZ-CB 4.38Å; F75-K110 HydrophobicContact CZ-CG 4.48Å
111T90.9Very high77.7Confident52 Ų5277.8 Ų77.832%0.31941%0.413SS..PPolyproline II helixtrans-78.1138.3168.245.80000110.2V74 K76 K109V74-T111 VanDerWaalsContact CB-OG1 3.29Å; V74-T111 WeakPolarHBondContact CB-OG1 3.38Å; V74-T111 WeakPolarHBondContact CG1-OG1 3.33Å; V74-T111 PolarHBondContact O-N 3.38Å; V74-T111 PolarHBondContact O-OG1 2.83Å; K76-T111 HydrophobicContact CB-CG2 4.03Å; K76-T111 HydrophobicContact CD-CG2 3.96Å; K76-T111 HydrophobicContact CG-CG2 3.83Å; K109-T111 PolarHBondContact O-N 2.73Å
112R83.8Confident75.9Confident158 Ų15882.5 Ų82.560%0.59643%0.429SS*.PPolyproline II helixtrans-71.7137.7173.2-165.5176.9-174.8171.6-0.7108E114 S116 S117R112-E114 PolarHBondContact O-N 2.88Å; R112-S116 VanDerWaalsContact CZ-OG 3.29Å; R112-S116 PolarHBondContact NE-OG 2.71Å; R112-S116 VanDerWaalsContact NH2-C 3.31Å; R112-S116 PolarHBondContact NH2-O 2.91Å; R112-S116 PolarHBondContact NH2-OG 2.81Å; R112-S117 PolarHBondContact NH1-OG 3.23Å
113A68Low74.3Confident62 Ų6286.3 Ų86.351%0.51245%0.448SS..PPolyproline II helixtrans-56.8125.1166.500000108.3G115 S116A113-G115 PolarHBondContact O-N 2.78Å; A113-S116 PolarHBondContact O-N 2.84Å
114E53.5Low72.7Confident185 Ų18588.7 Ų88.786%0.86446%0.457SS*.THydrogen-bonded Turntrans-52.9139.1174-70.7-132.5138.800109.7R112R112-E114 PolarHBondContact O-N 2.88Å
115G54.8Low71.1Confident52 Ų5294.7 Ų94.754%0.53648%0.484SS..THydrogen-bonded Turntrans95.2-5.9-178.600000116.7A113 S117A113-G115 PolarHBondContact O-N 2.78Å; G115-S117 VanDerWaalsContact C-N 3.28Å; G115-S117 PolarHBondContact O-N 2.84Å
116S51Low69.4Low67 Ų6798.9 Ų98.947%0.46950%0.503SS..  trans-76.8-10.9178.3170.60000114.1R112 A113R112-S116 VanDerWaalsContact CZ-OG 3.29Å; R112-S116 PolarHBondContact NE-OG 2.71Å; R112-S116 VanDerWaalsContact NH2-C 3.31Å; R112-S116 PolarHBondContact NH2-O 2.91Å; R112-S116 PolarHBondContact NH2-OG 2.81Å; A113-S116 PolarHBondContact O-N 2.84Å
117S52Low67.7Low46 Ų46102.2 Ų102.232%0.32252%0.524SS..SBendtrans-81.1119.4177.3-68.40000110.6R112 G115 I119 Q120R112-S117 PolarHBondContact NH1-OG 3.23Å; G115-S117 VanDerWaalsContact C-N 3.28Å; G115-S117 PolarHBondContact O-N 2.84Å; S117-I119 PolarHBondContact O-N 2.76Å; S117-Q120 PolarHBondContact O-N 3.24Å
118K53.4Low65.9Low193 Ų193102.7 Ų102.784%0.83952%0.524SS*.Hα-helixtrans-50.2-22.1174.1-66.3-177.1178.2-179.20113.7S121K118-S121 PolarHBondContact O-OG 2.82Å
119I56.4Low64.2Low130 Ų130111.9 Ų111.967%0.66756%0.558SS**Hα-helixtrans-65-38.5178.1-62.1161.1000112.1S117 R122 I123S117-I119 PolarHBondContact O-N 2.76Å; I119-R122 PolarHBondContact O-N 3.41Å; I119-I123 PolarHBondContact O-N 2.82Å
120Q55.5Low62.4Low97 Ų97110.4 Ų110.445%0.45356%0.557SS.*Hα-helixtrans-71.9-37.9-175.9-157.7164.47.200111.4S117 R122 I123 E124S117-Q120 PolarHBondContact O-N 3.24Å; Q120-R122 PolarHBondContact O-N 2.74Å; Q120-I123 PolarHBondContact O-N 2.85Å; Q120-E124 PolarHBondContact O-N 2.89Å; Q120-E124 VanDerWaalsContact O-N 3.08Å
121S56.9Low60.7Low68 Ų68109.4 Ų109.448%0.47656%0.561SS.*Hα-helixtrans-59.4-31.5174.273.10000113.4K118 Q125K118-S121 PolarHBondContact O-OG 2.82Å; S121-Q125 WeakPolarHBondContact O-CB 3.48Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.5Å; S121-Q125 VanDerWaalsContact O-N 3.15Å
122R58.9Low59.1Low191 Ų191114.2 Ų114.272%0.72158%0.58SS**Hα-helixtrans-76.1-40.6178.9-126.7-175-168.4-142.14.3111.9I119 Q120 E124 Q125 Q126I119-R122 PolarHBondContact O-N 3.41Å; Q120-R122 PolarHBondContact O-N 2.74Å; R122-E124 VanDerWaalsContact C-N 3.33Å; R122-Q125 PolarHBondContact O-N 3.47Å; R122-Q126 PolarHBondContact O-N 3.26Å
123I61.4Low57.7Low96 Ų96113.6 Ų113.649%0.49258%0.584SS.*Hα-helixtrans-60.6-45.4175-107.774.7000110I119 Q120 Q125 Q126 T127I119-I123 PolarHBondContact O-N 2.82Å; Q120-I123 PolarHBondContact O-N 2.85Å; I123-Q125 PolarHBondContact O-N 3.44Å; I123-Q126 PolarHBondContact O-N 3.41Å; I123-Q126 VanDerWaalsContact O-N 3.11Å; I123-T127 HydrophobicContact CG2-CG2 4.42Å; I123-T127 WeakPolarHBondContact O-CG2 3.41Å; I123-T127 PolarHBondContact O-N 3.14Å
124E61.1Low57Low132 Ų132117.8 Ų117.862%0.61759%0.594SS**Hα-helixtrans-70.9-32.9-176.7-144.7167.8-159.400112.4Q120 R122 T127 S128Q120-E124 PolarHBondContact O-N 2.89Å; Q120-E124 VanDerWaalsContact O-N 3.08Å; R122-E124 VanDerWaalsContact C-N 3.33Å; E124-T127 PolarHBondContact O-N 3.49Å; E124-T127 PolarHBondContact O-OG1 3.43Å; E124-S128 WeakPolarHBondContact O-CB 3.35Å; E124-S128 PolarHBondContact O-N 3.42Å; E124-S128 PolarHBondContact O-OG 2.98Å
125Q62.7Low56.8Low126 Ų126117.3 Ų117.359%0.58959%0.589SS**Hα-helixtrans-67.3-32.5169.1-81.4-175.5-19.200113.1S121 R122 I123 S128 R129S121-Q125 WeakPolarHBondContact O-CB 3.48Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.5Å; S121-Q125 VanDerWaalsContact O-N 3.15Å; R122-Q125 PolarHBondContact O-N 3.47Å; I123-Q125 PolarHBondContact O-N 3.44Å; Q125-S128 WeakPolarHBondContact CA-OG 3.01Å; Q125-S128 PolarHBondContact O-OG 3.44Å; Q125-S128 VanDerWaalsContact O-OG 3.08Å; Q125-R129 WeakPolarHBondContact O-CG 3.32Å; Q125-R129 PolarHBondContact O-N 2.9Å
126Q59.6Low56.4Low119 Ų119120.7 Ų120.756%0.55660%0.6SS**Hα-helixtrans-74.3-40.4173.4-96.6-179.6-39.700112.1R122 I123 R129 L130R122-Q126 PolarHBondContact O-N 3.26Å; I123-Q126 PolarHBondContact O-N 3.41Å; I123-Q126 VanDerWaalsContact O-N 3.11Å; Q126-R129 PolarHBondContact O-N 3.12Å; Q126-L130 PolarHBondContact O-N 2.87Å; Q126-L130 VanDerWaalsContact O-N 3.12Å
127T60.2Low56.1Low79 Ų79122 Ų12249%0.48561%0.61SS.*Hα-helixtrans-69.3-35.7179.774.30000112.2I123 E124 L130 S131I123-T127 HydrophobicContact CG2-CG2 4.42Å; I123-T127 WeakPolarHBondContact O-CG2 3.41Å; I123-T127 PolarHBondContact O-N 3.14Å; E124-T127 PolarHBondContact O-N 3.49Å; E124-T127 PolarHBondContact O-OG1 3.43Å; T127-L130 PolarHBondContact O-N 2.87Å; T127-S131 PolarHBondContact O-N 3.41Å; T127-S131 PolarHBondContact O-OG 3.47Å
128S59.1Low55.9Low63 Ų63126.3 Ų126.344%0.44163%0.633SS.*Hα-helixtrans-67.2-34.8174.553.20000112.7E124 Q125 S131 Q132E124-S128 WeakPolarHBondContact O-CB 3.35Å; E124-S128 PolarHBondContact O-N 3.42Å; E124-S128 PolarHBondContact O-OG 2.98Å; Q125-S128 WeakPolarHBondContact CA-OG 3.01Å; Q125-S128 PolarHBondContact O-OG 3.44Å; Q125-S128 VanDerWaalsContact O-OG 3.08Å; S128-S131 WeakPolarHBondContact CA-OG 3.42Å; S128-S131 PolarHBondContact O-OG 3.22Å; S128-Q132 PolarHBondContact O-N 2.89Å
129R60.7Low55.2Low198 Ų198122.4 Ų122.475%0.74763%0.63SS**Hα-helixtrans-68.6-38.9173.2-75.2-176.9178.8-161.90.5112.6Q125 Q126Q125-R129 WeakPolarHBondContact O-CG 3.32Å; Q125-R129 PolarHBondContact O-N 2.9Å; Q126-R129 PolarHBondContact O-N 3.12Å
130L57.4Low54.1Low116 Ų116122.1 Ų122.161%0.60764%0.64SS**Hα-helixtrans-72.1-33.5-179.3-146.371.7000112.7Q126 T127 Q132 Q133Q126-L130 PolarHBondContact O-N 2.87Å; Q126-L130 VanDerWaalsContact O-N 3.12Å; T127-L130 PolarHBondContact O-N 2.87Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.46Å; L130-Q133 PolarHBondContact O-N 3.32Å
131S57.3Low53.3Low68 Ų68122.8 Ų122.848%0.47666%0.655SS.*Hα-helixtrans-75.6-18.5178.546.50000114T127 S128T127-S131 PolarHBondContact O-N 3.41Å; T127-S131 PolarHBondContact O-OG 3.47Å; S128-S131 WeakPolarHBondContact CA-OG 3.42Å; S128-S131 PolarHBondContact O-OG 3.22Å
132Q57.5Low52.2Low153 Ų153124.6 Ų124.672%0.71567%0.668SS**Hα-helixtrans-78.9-23174-151.1166.844.500112.7S128 L130 M134S128-Q132 PolarHBondContact O-N 2.89Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.46Å; Q132-M134 VanDerWaalsContact C-N 3.34Å
133Q55.1Low51.1Low144 Ų144125.1 Ų125.167%0.67368%0.676SS**G310 helixtrans-77.5-17.7177.9-164.3170.3-6.700113.4L130L130-Q133 PolarHBondContact O-N 3.32Å
134M52.1Low49.9Very low150 Ų150126.8 Ų126.874%0.73969%0.69SS**G310 helixtrans-90.31.1179.9-62.3-63.9-174.800114.1Q132Q132-M134 VanDerWaalsContact C-N 3.34Å
135K48.7Very low49.5Very low175 Ų175126.1 Ų126.176%0.76170%0.698SS**G310 helixtrans-105.71.7-178.1-68.7-173-176.6-179.90114.9
136T47.8Very low48Very low123 Ų123125 Ų12576%0.75571%0.71SS**SBendtrans-103.911.9-176.954.40000115
137S43.4Very low46.7Very low96 Ų96123.3 Ų123.367%0.67172%0.724SS**  trans-118.939.5-174.263.20000114.9
138V48.3Very low45.4Very low135 Ų135124.5 Ų124.582%0.81874%0.736SS**  trans-144.867.8170.3-70.70000112.8
139S39.5Very low44.4Very low111 Ų111130.8 Ų130.878%0.77676%0.755SS**  trans-163.6123.3152.757.40000113.8
140S32.8Very low43Very low125 Ų125127.2 Ų127.287%0.87476%0.76SS**  trans118.9114.2140.578.50000117
141S39.2Very low42Very low110 Ų110127.1 Ų127.177%0.76977%0.77SS**  trans-76.5150172.249.40000113.1
142S34.3Very low42.2Very low107 Ų107129.7 Ų129.775%0.74879%0.785SS**  trans122.7130.4133.9790000118.5
143K35.3Very low42Very low202 Ų202127.7 Ų127.788%0.87879%0.785SS**  trans77.4123.2150.3-71.6179.2175-179.70121
144T36.3Very low41Very low131 Ų131130.3 Ų130.380%0.80479%0.794SS**  trans-75175.1158.853.20000110.3
145P51.8Low40.8Very low118 Ų118131.2 Ų131.277%0.76680%0.796SS**  cis-150.8179.325.641.5-18.4000120
146A31.7Very low40.2Very low103 Ų103132.3 Ų132.385%0.85180%0.801SS**  trans77134.7148.600000121.3
147G31.3Very low40Very low83 Ų83135 Ų13586%0.85681%0.807SS**  trans149.3125.2159.300000114.8
148S33.9Very low39.9Very low104 Ų104135.5 Ų135.573%0.72781%0.811SS**  trans-99.4156.4-162.557.20000116.1
149K37.1Very low40.1Very low195 Ų195134.7 Ų134.785%0.84881%0.808SS**  trans81133.1145.8-71.6169.4-178.3179.10121.9
150S31.4Very low40.8Very low122 Ų122132.7 Ų132.785%0.85380%0.798SS**  trans88.4132.9148.776.40000120.3
151S36.3Very low42.1Very low115 Ų115129.9 Ų129.980%0.80478%0.779SS**  trans-89.5-165.9-173.7-43.30000113.4
152P63.6Low43.2Very low122 Ų122129.3 Ų129.379%0.79277%0.772SS**  -94.8-159.6-104.438.9-18000111.4
153P52.3Low44.5Very low110 Ų110130.1 Ų130.171%0.71477%0.766SS**  cis-137.4176.36.441.4-21.6000115.2
154K34.7Very low46.1Very low199 Ų199124.4 Ų124.487%0.86575%0.745SS**  trans177.8134.1130.5-97.9167.2-175.4-178.20111.9
155E46.4Very low47.8Very low170 Ų170122.8 Ų122.879%0.79473%0.732SS**  trans-37.7131.6167.4-64.3166.4117.700112.8
156K38.1Very low48.8Very low198 Ų198121.5 Ų121.586%0.86172%0.717SS**  -144.3111.6129.4-74.4-158.5177.2-172.60107.9S158K156-S158 PolarHBondContact O-N 3.31Å; K156-S158 VanDerWaalsContact O-N 3.17Å
157M42.6Very low50.9Low178 Ų178121.8 Ų121.888%0.87770%0.701SS**  trans-54.4113.7161.1-66.6153.7162.700107.7
158S41.8Very low53.2Low107 Ų107126.8 Ų126.875%0.74869%0.694SS**PPolyproline II helixtrans-68.7140.1159.8-57.60000107.6K156 A160K156-S158 PolarHBondContact O-N 3.31Å; K156-S158 VanDerWaalsContact O-N 3.17Å; S158-A160 PolarHBondContact O-N 3.39Å
159P51.4Low55.2Low118 Ų118128.4 Ų128.477%0.76669%0.69SS**PPolyproline II helixtrans-64.9133174.228.9-30.5000107.8S161P159-S161 PolarHBondContact O-N 3.35Å
160A54.8Low57Low69 Ų69124.2 Ų124.257%0.5768%0.676SS**PPolyproline II helixtrans-51.9133171.800000108.5S158S158-A160 PolarHBondContact O-N 3.39Å
161S59.3Low59.3Low66 Ų66124.3 Ų124.346%0.46267%0.665SS.*PPolyproline II helixtrans-72.1142.5179.7-68.70000107.5P159 M163 D164P159-S161 PolarHBondContact O-N 3.35Å; S161-M163 PolarHBondContact O-N 3.25Å; S161-D164 PolarHBondContact N-OD2 3.24Å; S161-D164 WeakPolarHBondContact O-CB 3.35Å; S161-D164 PolarHBondContact O-N 3.37Å
162P62.2Low61.2Low98 Ų98121.6 Ų121.664%0.63665%0.649SS**Hα-helixtrans-55.2-13179.8-27.834.7000115.3I166P162-I166 WeakPolarHBondContact O-CD1 3.48Å; P162-I166 WeakPolarHBondContact O-CG1 3.5Å
163M62.8Low61.5Low125 Ų125122.2 Ų122.262%0.61664%0.642SS**Hα-helixtrans-73.2-32.6173.9-54.3-61.5179.900112.3S161 D165 I166 E167S161-M163 PolarHBondContact O-N 3.25Å; M163-D165 VanDerWaalsContact C-N 3.31Å; M163-D165 PolarHBondContact O-N 3.38Å; M163-I166 PolarHBondContact O-N 2.79Å; M163-E167 PolarHBondContact O-N 3.3Å
164D69.1Low62.5Low82 Ų82119.9 Ų119.944%0.43963%0.631SS.*Hα-helixtrans-68.4-33.6179.4-63-52.3000111.3S161 R168S161-D164 PolarHBondContact N-OD2 3.24Å; S161-D164 WeakPolarHBondContact O-CB 3.35Å; S161-D164 PolarHBondContact O-N 3.37Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 PolarHBondContact O-N 3.39Å
165D71.6Confident64.2Low97 Ų97117.3 Ų117.352%0.51962%0.62SS.*Hα-helixtrans-69.9-41.5175.7-69.3-31.1000111.1M163 R168 E169M163-D165 VanDerWaalsContact C-N 3.31Å; M163-D165 PolarHBondContact O-N 3.38Å; D165-R168 PolarHBondContact O-N 3.29Å; D165-E169 VanDerWaalsContact O-CB 3.32Å; D165-E169 WeakPolarHBondContact O-CB 3.44Å; D165-E169 PolarHBondContact O-N 3.23Å
166I72.3Confident65.2Low90 Ų90114 Ų11446%0.46261%0.611SS.*Hα-helixtrans-66.5-43.2177.6-63.9165.6000110.8P162 M163 R168 E169 L170P162-I166 WeakPolarHBondContact O-CD1 3.48Å; P162-I166 WeakPolarHBondContact O-CG1 3.5Å; M163-I166 PolarHBondContact O-N 2.79Å; I166-R168 VanDerWaalsContact C-N 3.34Å; I166-E169 PolarHBondContact O-N 3.08Å; I166-L170 HydrophobicContact CG2-CD1 3.79Å; I166-L170 WeakPolarHBondContact O-CB 3.46Å; I166-L170 WeakPolarHBondContact O-CD1 3.37Å; I166-L170 WeakPolarHBondContact O-CG 3.49Å; I166-L170 PolarHBondContact O-N 3.23Å
167E75.8Confident66.3Low109 Ų109110.6 Ų110.651%0.50960%0.6SS.*Hα-helixtrans-65.1-39.8177.5-171.7175.2179.200111.4M163 L170 M171M163-E167 PolarHBondContact O-N 3.3Å; E167-L170 PolarHBondContact O-N 3.4Å; E167-M171 HydrophobicContact CG-CE 4.08Å; E167-M171 WeakPolarHBondContact O-CB 3.38Å; E167-M171 WeakPolarHBondContact O-CG 3.09Å; E167-M171 PolarHBondContact O-N 2.93Å
168R80.8Confident67.1Low188 Ų188108.3 Ų108.371%0.70959%0.592SS**Hα-helixtrans-66.8-37.6176.2-174.8177.1-68.9-98.5-2.1112.3D164 D165 I166 A172D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 PolarHBondContact O-N 3.39Å; D165-R168 PolarHBondContact O-N 3.29Å; I166-R168 VanDerWaalsContact C-N 3.34Å; R168-A172 WeakPolarHBondContact O-CB 3.4Å; R168-A172 PolarHBondContact O-N 3.35Å
169E74.2Confident68Low138 Ų138110 Ų11065%0.64559%0.587SS**Hα-helixtrans-69.1-44.3176.5-168.4167-17100111.3D165 I166 M171 A172 E173D165-E169 VanDerWaalsContact O-CB 3.32Å; D165-E169 WeakPolarHBondContact O-CB 3.44Å; D165-E169 PolarHBondContact O-N 3.23Å; I166-E169 PolarHBondContact O-N 3.08Å; E169-M171 PolarHBondContact O-N 3.36Å; E169-A172 WeakPolarHBondContact O-CB 3.17Å; E169-A172 PolarHBondContact O-N 3.05Å; E169-A172 VanDerWaalsContact O-N 3.17Å; E169-E173 WeakPolarHBondContact O-CB 3.44Å; E169-E173 PolarHBondContact O-N 3.17Å
170L76.3Confident68.1Low107 Ų107111.4 Ų111.456%0.5659%0.586SS**Hα-helixtrans-61.7-41.7174.8-77.8161.5000112.6I166 E167 A172 E173 A174I166-L170 HydrophobicContact CG2-CD1 3.79Å; I166-L170 WeakPolarHBondContact O-CB 3.46Å; I166-L170 WeakPolarHBondContact O-CD1 3.37Å; I166-L170 WeakPolarHBondContact O-CG 3.49Å; I166-L170 PolarHBondContact O-N 3.23Å; E167-L170 PolarHBondContact O-N 3.4Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-E173 PolarHBondContact O-N 3.46Å; L170-A174 WeakPolarHBondContact O-CB 3.43Å; L170-A174 PolarHBondContact O-N 2.89Å
171M78.3Confident68Low124 Ų124112.9 Ų112.961%0.61159%0.592SS**Hα-helixtrans-67.3-34.2175.3-77.4-170.5-170.200112.4E167 E169 K175E167-M171 HydrophobicContact CG-CE 4.08Å; E167-M171 WeakPolarHBondContact O-CB 3.38Å; E167-M171 WeakPolarHBondContact O-CG 3.09Å; E167-M171 PolarHBondContact O-N 2.93Å; E169-M171 PolarHBondContact O-N 3.36Å; M171-K175 PolarHBondContact O-N 3.5Å
172A77.6Confident67.5Low58 Ų58115 Ų11548%0.47961%0.607SS.*Hα-helixtrans-69.1-41.1175.800000111.5R168 E169 L170 K175 V176R168-A172 WeakPolarHBondContact O-CB 3.4Å; R168-A172 PolarHBondContact O-N 3.35Å; E169-A172 WeakPolarHBondContact O-CB 3.17Å; E169-A172 PolarHBondContact O-N 3.05Å; E169-A172 VanDerWaalsContact O-N 3.17Å; L170-A172 VanDerWaalsContact C-N 3.33Å; A172-K175 PolarHBondContact O-N 3.15Å; A172-V176 WeakPolarHBondContact O-CG2 3.35Å; A172-V176 PolarHBondContact O-N 3.48Å
173E69.3Low66.6Low136 Ų136113.3 Ų113.364%0.63661%0.607SS**Hα-helixtrans-68.7-41.6-179.9-157.8178.7-172.700112E169 L170 K175 V176 M177E169-E173 WeakPolarHBondContact O-CB 3.44Å; E169-E173 PolarHBondContact O-N 3.17Å; L170-E173 PolarHBondContact O-N 3.46Å; E173-K175 VanDerWaalsContact C-N 3.27Å; E173-K175 PolarHBondContact O-N 3.47Å; E173-V176 PolarHBondContact O-N 3.06Å; E173-V176 VanDerWaalsContact O-N 3.12Å; E173-M177 PolarHBondContact O-N 2.96Å
174A72.6Confident65.8Low60 Ų60114.2 Ų114.250%0.49662%0.615SS.*Hα-helixtrans-60.7-36.3175.300000112.6L170 V176 M177 D178L170-A174 WeakPolarHBondContact O-CB 3.43Å; L170-A174 PolarHBondContact O-N 2.89Å; A174-V176 VanDerWaalsContact C-N 3.31Å; A174-V176 PolarHBondContact O-N 3.11Å; A174-M177 PolarHBondContact O-N 2.83Å; A174-D178 PolarHBondContact O-N 3.03Å
175K70.7Confident64.5Low146 Ų146115.5 Ų115.564%0.63563%0.63SS**Hα-helixtrans-72.8-22.6178.3-169.4171.4-179176.80113.4M171 A172 E173 Q179M171-K175 PolarHBondContact O-N 3.5Å; A172-K175 PolarHBondContact O-N 3.15Å; E173-K175 VanDerWaalsContact C-N 3.27Å; E173-K175 PolarHBondContact O-N 3.47Å; K175-Q179 PolarHBondContact O-NE2 3.03Å
176V68.7Low63.6Low99 Ų99116 Ų11660%0.664%0.641SS**Hα-helixtrans-76-38.3173.6173.50000110.2A172 E173 A174 D178 Q179A172-V176 WeakPolarHBondContact O-CG2 3.35Å; A172-V176 PolarHBondContact O-N 3.48Å; E173-V176 PolarHBondContact O-N 3.06Å; E173-V176 VanDerWaalsContact O-N 3.12Å; A174-V176 VanDerWaalsContact C-N 3.31Å; A174-V176 PolarHBondContact O-N 3.11Å; V176-D178 PolarHBondContact O-N 2.88Å; V176-Q179 PolarHBondContact O-N 2.81Å
177M59.9Low62.3Low127 Ų127117.2 Ų117.263%0.62666%0.658SS**Hα-helixtrans-70.3-30.4179.3-162.5167.864.700113.2E173 A174 Q179 M180E173-M177 PolarHBondContact O-N 2.96Å; A174-M177 PolarHBondContact O-N 2.83Å; M177-Q179 VanDerWaalsContact C-N 3.3Å; M177-Q179 PolarHBondContact O-N 3.5Å; M177-M180 HydrophobicContact CG-CE 3.98Å; M177-M180 HydrophobicContact CG-SD 4.4Å; M177-M180 WeakPolarHBondContact O-CG 3.42Å; M177-M180 PolarHBondContact O-N 2.97Å
178D60.7Low61.3Low131 Ų131118.6 Ų118.670%0.70167%0.668SS**Hα-helixtrans-72.9-22.8179-149.856.5000113A174 V176A174-D178 PolarHBondContact O-N 3.03Å; V176-D178 PolarHBondContact O-N 2.88Å
179Q59.2Low59.5Low141 Ų141115.6 Ų115.666%0.65968%0.676SS**THydrogen-bonded Turntrans-81.6-12.4178.5-76-17573.400114.3K175 V176 M177K175-Q179 PolarHBondContact O-NE2 3.03Å; V176-Q179 PolarHBondContact O-N 2.81Å; M177-Q179 VanDerWaalsContact C-N 3.3Å; M177-Q179 PolarHBondContact O-N 3.5Å
180M55.1Low58.8Low149 Ų149117.2 Ų117.273%0.73468%0.683SS**THydrogen-bonded Turntrans-94.46.6176.840.3-178-101.100112.7M177M177-M180 HydrophobicContact CG-CE 3.98Å; M177-M180 HydrophobicContact CG-SD 4.4Å; M177-M180 WeakPolarHBondContact O-CG 3.42Å; M177-M180 PolarHBondContact O-N 2.97Å
181S51.8Low57.2Low100 Ų100117.4 Ų117.470%0.69969%0.693SS**  trans-112.87.8-177.4-143.90000115.2
182S49.6Very low55.7Low110 Ų110116.9 Ų116.977%0.76970%0.702SS**  trans-101.372170.245.20000111.5
183G42.2Very low54.6Low63 Ų63119.2 Ų119.265%0.64972%0.715SS**  trans-118.6137.216200000109.3
184D46.8Very low53.5Low144 Ų144117.7 Ų117.777%0.7772%0.719SS**  trans-53.7146-169.264.3-65.1000117.8
185S41.4Very low52.4Low109 Ų109119.7 Ų119.776%0.76273%0.73SS**  153.7131.5109.4-93.10000113
186S51.8Low51.2Low108 Ų108118.5 Ų118.576%0.75574%0.74SS**  trans-68.5148.5-17849.80000115.2
187S45.2Very low49.9Very low115 Ų115116.6 Ų116.680%0.80474%0.74SS**  174.7137.4114.556.40000112.8
188D55.6Low49.4Very low138 Ų138117.9 Ų117.974%0.73875%0.75SS**  trans-65.1160.7-179.8-50.2-82000114.9
189S43Very low48.9Very low124 Ų124116.5 Ų116.587%0.86775%0.751SS**  -173.6130.6126.6-78.30000112.7
190H59.2Low48.8Very low172 Ų172115.5 Ų115.580%0.79676%0.759SS**  trans-82.8152.3175.1-56.4-88.4000112.4
191S42.3Very low48.7Very low111 Ų111114.2 Ų114.278%0.77677%0.765SS**  trans169.8108.1136.927.60000109.2
192S47.2Very low48.9Very low113 Ų113114.4 Ų114.479%0.7977%0.766SS**  8612085.968.70000115.3
193S54.9Low48.9Very low107 Ų107115.3 Ų115.375%0.74877%0.773SS**  trans-24.6152164.551.70000121.3
194S45.7Very low49.2Very low104 Ų104119.3 Ų119.373%0.72778%0.779SS**  123.9125.612266.30000119.4
195S49Very low49.3Very low102 Ų102118.1 Ų118.171%0.71378%0.782SS**  trans72.3131.1134.858.70000124.6
196S45.3Very low50Low121 Ų121122.1 Ų122.185%0.84679%0.789SS**  89.4141.112659.10000123.6
197G42.6Very low49.7Very low60 Ų60124.1 Ų124.162%0.61979%0.791SS**  trans97.2108.8154.300000115.1
198D49.8Very low49.6Very low153 Ų153126 Ų12682%0.81879%0.787SS**  59143.381.7101.9-85.7000113.3
199S48.6Very low49Very low103 Ų103123.2 Ų123.272%0.7278%0.778SS**  cis-165.1174.212.436.90000109.7
200S56.9Low48.9Very low120 Ų120129.3 Ų129.384%0.83978%0.782SS**  trans-63.9156-174.4-27.50000116.4
201S53.7Low48.2Very low122 Ų122130 Ų13085%0.85379%0.785SS**  -170142.7126.2-149.30000114
202S56.4Low48.8Very low103 Ų103129.7 Ų129.772%0.7278%0.781SS**  trans-94.3153.517640.50000111.9
203S49.7Very low48.8Very low130 Ų130130 Ų13091%0.90978%0.78SS**  trans-154.5132.5156.3-78.40000111.8
204D49.2Very low49.2Very low146 Ų146130.7 Ų130.778%0.78178%0.782SS**  trans-123.2139.4-178-153.7-45.3000105.3
205S47.6Very low49.7Very low119 Ų119132.1 Ų132.183%0.83279%0.789SS**  trans-162.4110.2173.2-68.60000110.6
206E56.3Low49.2Very low194 Ų194130.7 Ų130.791%0.90779%0.79SS**  trans-110.2136.2160.2-48.6-162.6134.400107.7
207D44.8Very low49.6Very low149 Ų149130.7 Ų130.780%0.79779%0.787SS**  trans-112.8137.2-163.3-179.978.5000112.2
208E44.9Very low49.4Very low155 Ų155133.6 Ų133.672%0.72480%0.798SS**  trans61.9143.4154.1-70.7-81.1102.300120.8
209S41.6Very low48.7Very low79 Ų79130 Ų13055%0.55280%0.797SS**  cis161.6134-17.6-100.90000105.8
210R41.3Very low48.1Very low252 Ų252128.8 Ų128.895%0.95180%0.801SS**  trans178.4116140.8-97.8164.7-153.4-99.93.4111.8
211H43.6Very low48Very low186 Ų186128.6 Ų128.686%0.86180%0.797SS**  trans-116.2-179163.6-90.6-75.5000108
212P55.5Low47Very low106 Ų106129.8 Ų129.869%0.68879%0.793SS**  -139.8-171.1-56.341-23.4000112.2
213P48.1Very low46.1Very low120 Ų120131.8 Ų131.878%0.77980%0.801SS**  trans-113.1167.115536.2-25.4000113.8
214P61.6Low45.6Very low121 Ų121130 Ų13079%0.78679%0.794SS**  trans-94.7175.2-160.538.9-35.6000115.4
215P56.2Low45.7Very low134 Ų134128.6 Ų128.687%0.8779%0.793SS**  trans-100.2160.8-159.338-32000115.4
216G39.8Very low46.2Very low71 Ų71128.3 Ų128.373%0.73279%0.788SS**  trans-148.5153.5166.300000111.3
217P53.4Low46.1Very low121 Ų121123.4 Ų123.479%0.78677%0.773SS**  trans-106.9170.7-148.438.8-32.3000116.1
218S37.6Very low45.6Very low121 Ų121124.1 Ų124.185%0.84677%0.771SS**  trans83.2126.2148.160.70000120.9
219G36Very low45.3Very low78 Ų78125.9 Ų125.980%0.80478%0.78SS**  trans129.289.1141.300000117.7
220G35.9Very low44.9Very low78 Ų78125.7 Ų125.780%0.80479%0.79SS**  trans52.9159.1135.400000122.8
221P53.8Low44.7Very low115 Ų115122.6 Ų122.675%0.74779%0.789SS**  trans-113.8178.6-154.331.8-13.3000115.3
222L33.5Very low44.9Very low147 Ų147119.1 Ų119.177%0.7778%0.783SS**  trans94.2120.7155.8-46.9173.6000117.2
223T37.5Very low43.9Very low145 Ų145121.8 Ų121.889%0.8979%0.789SS**  159.2156.1105.8460000112.3
224A39.8Very low43.3Very low93 Ų93123.4 Ų123.477%0.76979%0.791SS**  trans-80.3-178.4-164.500000114.6
225P50.6Low41.9Very low116 Ų116124.6 Ų124.675%0.75380%0.796SS**  trans-98.5-153.9-165.944.1-37.5000112.2
226P57.8Low40.7Very low114 Ų114123.7 Ų123.774%0.7479%0.788SS**  cis-116.6-136.2-45.435.6-14.7000108.1
227P54Low40.4Very low91 Ų91126.3 Ų126.359%0.59179%0.79SS**  cis-126.8-168.4-27.433.8-12.2000112.3
228H35.7Very low39.3Very low163 Ų163126.2 Ų126.276%0.75579%0.787SS**  trans163108.9133.7-80.8-67.6000112.9
229Q37.5Very low38.9Very low192 Ų192126.1 Ų126.190%0.89778%0.782SS**  trans24.2138.5134.8-59.8-176.2-31.900122.2
230G33.7Very low38.7Very low75 Ų75127.9 Ų127.977%0.77378%0.777SS**  trans156.5100.7144.900000116.1
231M37.7Very low38.7Very low187 Ų187129.8 Ų129.892%0.92177%0.773SS**  trans-75.2156.2154.4-60-76.3-165.700108.8
232P47.3Very low38Very low114 Ų114131.9 Ų131.974%0.7478%0.776SS**  -156.7154.592.137.1-16.1000118.9
233I34.4Very low38.1Very low161 Ų161130.4 Ų130.483%0.82678%0.779SS**  60.5138.8129.4-57.3174000123.8
234L35.7Very low38.1Very low154 Ų154129 Ų12981%0.80677%0.774SS**  trans-54.8153.1177.2-72.877.1000117.9
235T32.7Very low38.7Very low146 Ų146130.2 Ų130.290%0.89678%0.775SS**  trans-159.9170.1135.7-8.50000112.5
236T30.4Very low38.5Very low115 Ų115130.5 Ų130.571%0.70678%0.776SS**  trans-113.7161.3-141.6-32.40000114.3
237V32.6Very low38.1Very low126 Ų126137.3 Ų137.376%0.76479%0.787SS**  trans59142.2158-88.80000119
238T30.8Very low37.7Very low119 Ų119137 Ų13773%0.7380%0.8SS**  cis-169.115334.4-12.90000111.3
239T30.6Very low38.4Very low120 Ų120131.8 Ų131.874%0.73679%0.791SS**  trans51.3127146.4-17.40000123.5
240T31.5Very low39.2Very low115 Ų115125.6 Ų125.671%0.70678%0.779SS**  142.5115118-49.90000114.3
241T34.6Very low40.3Very low117 Ų117129.7 Ų129.772%0.71878%0.777SS**  trans17.6145.6152.564.10000124.1
242I38.9Very low41.4Very low159 Ų159127.5 Ų127.582%0.81577%0.768SS**  trans115108.3150.2-59162.1000114.1
243S35.9Very low41.9Very low117 Ų117129.2 Ų129.282%0.81877%0.769SS**  trans171.5123.4132.139.20000113.2
244S39.3Very low43Very low114 Ų114124.1 Ų124.180%0.79775%0.747SS**  trans-71.7177.5152.9-37.70000109.5
245P51.7Low44.3Very low120 Ų120121 Ų12178%0.77973%0.734SS**  cis-140-15117.441.6-17000111.5
246P45.3Very low45.6Very low121 Ų121119.4 Ų119.479%0.78672%0.72SS**  cis-131.6163.2-4.437.7-17000118.3
247R49.5Very low47.2Very low258 Ų258122.2 Ų122.297%0.97472%0.722SS**  trans-70.7127.9167.5-86.4159.685.8-159.910.7110.6
248G47.3Very low48.3Very low84 Ų84122 Ų12287%0.86672%0.717SS**  trans-161.852.7171.700000112.2
249G50.2Low49.8Very low54 Ų54123.3 Ų123.356%0.55772%0.72SS**  trans-133.1-0.6-177.100000115.8H251G249-H251 PolarHBondContact O-N 3.08Å
250G52.5Low50.9Low62 Ų62123.4 Ų123.464%0.63972%0.715SS**Hα-helixtrans-78.6-15.2-169.800000115.9
251H57.8Low52.1Low161 Ų161125.7 Ų125.775%0.74572%0.718SS**Hα-helixtrans-87.6-21.7-170-13462.7000114.1G249 S254 T255G249-H251 PolarHBondContact O-N 3.08Å; H251-S254 PolarHBondContact O-OG 3Å; H251-T255 PolarHBondContact O-OG1 3.21Å
252L60.5Low52.5Low140 Ų140127.1 Ų127.173%0.73372%0.72SS**Hα-helixtrans-81.3-34.7-178.9-62.3172.4000111.8
253M57.6Low52.6Low151 Ų151124.9 Ų124.974%0.74472%0.718SS**Hα-helixtrans-76-26.6-179-65.6-158.4168.400113.3K257M253-K257 PolarHBondContact O-N 3.5Å
254S58.3Low53.2Low53 Ų53128.6 Ų128.637%0.37172%0.723SS.*Hα-helixtrans-70.8-35.4176.958.30000112.5H251 K257 N258H251-S254 PolarHBondContact O-OG 3Å; S254-K257 PolarHBondContact O-N 3.34Å; S254-N258 PolarHBondContact O-N 3.12Å; S254-N258 PolarHBondContact O-ND2 2.8Å
255T62Low53.6Low88 Ų88128.6 Ų128.654%0.5472%0.723SS.*Hα-helixtrans-68.5-41.6-179.7-47.70000111.5H251 K257 N258 D259H251-T255 PolarHBondContact O-OG1 3.21Å; T255-K257 VanDerWaalsContact C-N 3.28Å; T255-K257 PolarHBondContact O-N 3.37Å; T255-N258 PolarHBondContact O-N 2.79Å; T255-D259 PolarHBondContact O-N 3.07Å
256L61.3Low53.3Low114 Ų114126.7 Ų126.760%0.59773%0.725SS**Hα-helixtrans-65.4-31.9178.6-63.1172.4000112.5L260L256-L260 WeakPolarHBondContact O-CD1 3.35Å; L256-L260 PolarHBondContact O-N 3.39Å
257K62.7Low53.4Low174 Ų174126 Ų12676%0.75772%0.723SS**Hα-helixtrans-74.5-27.2-179.9-155.4173.7-177-178.70113.2M253 S254 T255M253-K257 PolarHBondContact O-N 3.5Å; S254-K257 PolarHBondContact O-N 3.34Å; T255-K257 VanDerWaalsContact C-N 3.28Å; T255-K257 PolarHBondContact O-N 3.37Å
258N56.7Low54.1Low121 Ų121122.1 Ų122.165%0.64772%0.716SS**Hα-helixtrans-81-27.9176.4-72.6-28.9000112.7S254 T255S254-N258 PolarHBondContact O-N 3.12Å; S254-N258 PolarHBondContact O-ND2 2.8Å; T255-N258 PolarHBondContact O-N 2.79Å
259D61.9Low54.8Low147 Ų147123.3 Ų123.379%0.78671%0.711SS**Hα-helixtrans-85.8-19.3-176.5-144.437.7000112.9T255 Q261T255-D259 PolarHBondContact O-N 3.07Å; D259-Q261 VanDerWaalsContact C-N 3.26Å; D259-Q261 PolarHBondContact O-N 3.36Å
260L54.5Low55.5Low121 Ų121128.2 Ų128.263%0.63472%0.724SS**  trans-87.337176.9-99.6111.2000113.7L256 L262L256-L260 WeakPolarHBondContact O-CD1 3.35Å; L256-L260 PolarHBondContact O-N 3.39Å; L260-L262 PolarHBondContact O-N 3.34Å
261Q55.8Low56Low164 Ų164132.6 Ų132.677%0.76673%0.733SS**  trans-71.884.6167.5-69.3-169.4-6.800109.3D259 S263D259-Q261 VanDerWaalsContact C-N 3.26Å; D259-Q261 PolarHBondContact O-N 3.36Å; Q261-S263 PolarHBondContact O-N 3.07Å
262L42.1Very low55.8Low146 Ų146136.4 Ų136.476%0.76476%0.759SS**PPolyproline II helixtrans-58118.5165.5-64172.5000107.5L260 E264L260-L262 PolarHBondContact O-N 3.34Å; L262-E264 PolarHBondContact O-N 3.44Å
263S40.9Very low55.6Low112 Ų112136.3 Ų136.378%0.78376%0.76SS**PPolyproline II helixtrans-58.6121.8173-48.80000109.1Q261 S265Q261-S263 PolarHBondContact O-N 3.07Å; S263-S265 PolarHBondContact O-N 3.17Å
264E48.9Very low55.5Low196 Ų196135.5 Ų135.592%0.91676%0.761SS**PPolyproline II helixtrans-61.5118.7174.1-53.4-179119.300107.9L262 G266L262-E264 PolarHBondContact O-N 3.44Å; E264-G266 PolarHBondContact O-N 3.49Å
265S47.5Very low55.3Low114 Ų114140.1 Ų140.180%0.79778%0.783SS**  trans-72.5115.2-179.6-65.60000110.2S263 S267S263-S265 PolarHBondContact O-N 3.17Å; S265-S267 PolarHBondContact O-N 3.42Å
266G46.4Very low55Low80 Ų80143.1 Ų143.183%0.82580%0.797SS**  trans-82.494.3164.600000109.8E264 E268E264-G266 PolarHBondContact O-N 3.49Å; G266-E268 PolarHBondContact O-N 3.17Å
267S48Very low54.6Low105 Ų105144.9 Ų144.973%0.73481%0.81SS**  trans-82.2104.1167.1-62.50000108.2S265S265-S267 PolarHBondContact O-N 3.42Å
268E64.2Low54Low177 Ų177143 Ų14383%0.82781%0.813SS**  trans-70.8128.6168.868.5-169.3146.300109.1G266G266-E268 PolarHBondContact O-N 3.17Å
269S61.7Low53.8Low110 Ų110144.6 Ų144.677%0.76983%0.825SS**  trans-102.4111.4175.4-31.10000106.1
270D63.9Low53.2Low156 Ų156144.4 Ų144.483%0.83483%0.828SS**  trans-87112.9167.4-89.3-43.9000108.6
271D63.6Low53.1Low155 Ų155146.3 Ų146.383%0.82985%0.845SS**  trans-103.1108.1161.7-117.6-74.2000106.3
272D54.1Low52.9Low241 Ų241144.7 Ų144.7100%1.28985%0.852SS**  trans176.20138.1-110.1-65000111.3

Retrieved 272 of 272 residues in 202.8 ms (Link to these results)