A0A087Y2C3_POEFO Loading...

Nuclear factor of activated T cells 4

AlphaFold DB , UniProt , Accession A0A087Y2C3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1M41.8Very low43.4Very low222 Ų222145.3 Ų145.3100%1.09483%0.834SS**  083.40-85-73.8-175.900105.7
2D40.4Very low43.2Very low163 Ų163154.5 Ų154.587%0.87285%0.846SS**PPolyproline II helixtrans-83117.9-178.2-64-49.4000108.6
3Y46.6Very low42.7Very low222 Ų222147.3 Ų147.387%0.87183%0.829SS**PPolyproline II helixtrans-79120175.1-80.6-89.6000109.3
4L48.1Very low42.4Very low159 Ų159153.5 Ų153.583%0.83283%0.833SS**PPolyproline II helixtrans-67.8138.5170.9-69.1169.5000110
5P53.2Low42Very low119 Ų119152.9 Ų152.977%0.77384%0.837SS**PPolyproline II helixtrans-71.9133.3179.627.9-31.2000111
6V43.8Very low41.8Very low135 Ų135158.2 Ų158.282%0.81884%0.84SS**PPolyproline II helixtrans-74.4130.7174.6-176.20000109
7P42.9Very low41.8Very low107 Ų107153.3 Ų153.370%0.69583%0.827SS**PPolyproline II helixtrans-62.8147.4176-1729.3000111.2
8P43.6Very low41.9Very low120 Ų120148.2 Ų148.278%0.77981%0.805SS**PPolyproline II helixtrans-64.3145.7179.928.1-32.9000110.5L10P8-L10 PolarHBondContact O-N 3.42Å; P8-L10 VanDerWaalsContact O-N 3.13Å
9A41Very low42.2Very low101 Ų101145.7 Ų145.784%0.83581%0.806SS**PPolyproline II helixtrans-56.5118.4178.800000110.1A11A9-A11 PolarHBondContact O-N 3.32Å
10L39.8Very low43.3Very low151 Ų151144.8 Ų144.879%0.79180%0.796SS**  trans-56111.3172.6-73.1163.2000108.8P8 W12P8-L10 PolarHBondContact O-N 3.42Å; P8-L10 VanDerWaalsContact O-N 3.13Å; L10-W12 PolarHBondContact O-N 3.19Å
11A36.5Very low45.2Very low99 Ų99140.9 Ų140.982%0.81878%0.779SS**  trans-60105.5168.700000108.9A9 G13A9-A11 PolarHBondContact O-N 3.32Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.43Å
12W41.2Very low47.4Very low256 Ų256130.8 Ų130.897%0.9773%0.73SS**  trans-67.492.6167.5-91.214.4000109L10L10-W12 PolarHBondContact O-N 3.19Å
13G36.4Very low49.8Very low61 Ų61124 Ų12463%0.62969%0.693SS**  trans-165.861.6-178.700000112.6A11A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.43Å
14R38.4Very low51.9Low234 Ų234114.5 Ų114.588%0.88366%0.656SS**SBendtrans168.2125.1150.1-93.8159.5-176.9-108.7-0.1107.8R16R14-R16 PolarHBondContact O-N 3.06Å; R14-R16 VanDerWaalsContact O-N 3.08Å
15T36.1Very low53.8Low145 Ų145115.2 Ų115.289%0.8965%0.648SS**  trans-43.6115.4172.634.90000110.2A17T15-A17 VanDerWaalsContact C-N 3.29Å; T15-A17 PolarHBondContact O-N 3.25Å
16R39.2Very low55.2Low237 Ų237113.6 Ų113.689%0.89464%0.639SS**  trans-64.788.3176.7-170.2-175.1-85.3-176.9-6.7108.2R14R14-R16 PolarHBondContact O-N 3.06Å; R14-R16 VanDerWaalsContact O-N 3.08Å
17A42.4Very low57.2Low75 Ų75113.7 Ų113.762%0.6264%0.636SS**  trans-58.3139.5162.300000107.9T15T15-A17 VanDerWaalsContact C-N 3.29Å; T15-A17 PolarHBondContact O-N 3.25Å
18S43Very low59.3Low62 Ų62111.3 Ų111.343%0.43463%0.625SS.*  trans-34.8141.6-173.6-169.10000115H20S18-H20 PolarHBondContact O-N 3.22Å
19A46.8Very low61.4Low100 Ų100109.1 Ų109.183%0.82661%0.606SS**SBendtrans-65.621-173.300000116.2
20H65.4Low63.8Low128 Ų128104.4 Ų104.459%0.59357%0.567SS**SBendtrans-116.6126.1178.1-62.5-64.2000110.1S18S18-H20 PolarHBondContact O-N 3.22Å
21S82.1Confident66.4Low63 Ų63100.3 Ų100.344%0.44155%0.549SS..  trans-53.5131.9168.8174.70000109.4L23S21-L23 PolarHBondContact O-N 3.28Å; S21-L23 WeakPolarHBondContact OG-CD1 3.34Å; S21-L23 WeakPolarHBondContact OG-CG 3.46Å
22P89.6Confident69.1Low10 Ų1096 Ų967%0.06551%0.512CS..SBendtrans-73.526.4-179.132.8-37.4000113.1F24 P37 F40 L198 A199P22-F24 HydrophobicContact CB-CE2 4.43Å; P22-F24 VanDerWaalsContact O-CD2 3.25Å; P22-F24 WeakPolarHBondContact O-CD2 3.46Å; P22-F24 WeakPolarHBondContact O-CE2 3.21Å; P22-P37 HydrophobicContact CB-CG 3.94Å; P22-P37 HydrophobicContact CG-CG 3.95Å; P22-F40 HydrophobicContact CG-CB 4.21Å; P22-F40 HydrophobicContact CG-CD1 4.46Å; P22-F40 HydrophobicContact CG-CD2 3.35Å; P22-F40 HydrophobicContact CG-CE2 3.76Å; P22-F40 HydrophobicContact CG-CG 3.75Å; P22-F40 HydrophobicContact CG-CZ 4.46Å; P22-L198 HydrophobicContact CB-CD1 3.75Å; P22-L198 HydrophobicContact CG-CD1 3.47Å; P22-L198 VanDerWaalsContact CG-CD1 3.47Å; P22-L198 WeakPolarHBondContact O-CA 3.38Å; P22-L198 WeakPolarHBondContact O-CD1 3.29Å; P22-A199 PolarHBondContact O-N 3.06Å
23L90.4Very high71.5Confident19 Ų1988.2 Ų88.210%0.09949%0.49CS..EExtended strand (participates in β ladder)trans-98.9127.7178.8-64.6175.2000109.6S21 V187 R196 V197 L198S21-L23 PolarHBondContact O-N 3.28Å; S21-L23 WeakPolarHBondContact OG-CD1 3.34Å; S21-L23 WeakPolarHBondContact OG-CG 3.46Å; L23-V187 HydrophobicContact CD2-CB 4.49Å; L23-V187 HydrophobicContact CD2-CG2 3.9Å; L23-R196 PolarHBondContact O-NH2 3.04Å; L23-V197 CarbonylContact C-O 3.56Å; L23-V197 WeakPolarHBondContact CA-O 3.36Å; L23-L198 HydrophobicContact CD2-CB 3.82Å; L23-L198 HydrophobicContact CD2-CD1 4.43Å
24F90.7Very high74.1Confident23 Ų2390 Ų9010%0.10148%0.478CS..EExtended strand (participates in β ladder)trans-127.1164.4-175.2-57.5-76.9000111.1P22 P30 W34 L36 R196 V197 A199P22-F24 HydrophobicContact CB-CE2 4.43Å; P22-F24 VanDerWaalsContact O-CD2 3.25Å; P22-F24 WeakPolarHBondContact O-CD2 3.46Å; P22-F24 WeakPolarHBondContact O-CE2 3.21Å; F24-P30 HydrophobicContact CD1-CB 4.46Å; F24-P30 HydrophobicContact CD2-CG 3.99Å; F24-P30 HydrophobicContact CE1-CB 4.09Å; F24-P30 HydrophobicContact CE2-CB 4.19Å; F24-P30 HydrophobicContact CE2-CG 3.84Å; F24-P30 HydrophobicContact CG-CG 4.37Å; F24-P30 HydrophobicContact CZ-CB 3.93Å; F24-P30 HydrophobicContact CZ-CG 4.12Å; F24-W34 HydrophobicContact CD1-CZ3 4.01Å; F24-W34 AromaticContact CE1-CE3 3.95Å; F24-W34 HydrophobicContact CE1-CE3 3.95Å; F24-W34 AromaticContact CE1-CH2 3.74Å; F24-W34 HydrophobicContact CE1-CH2 3.74Å; F24-W34 AromaticContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CZ-CE3 4.27Å; F24-W34 HydrophobicContact CZ-CZ3 4Å; F24-L36 HydrophobicContact CE2-CD2 3.79Å; F24-L36 HydrophobicContact CZ-CD2 3.82Å; F24-R196 CarbonylContact O-C 3.52Å; F24-R196 VanDerWaalsContact O-CA 3.26Å; F24-R196 WeakPolarHBondContact O-CA 3.43Å; F24-R196 WeakPolarHBondContact O-CD 3.37Å; F24-R196 PolarHBondContact O-NE 2.78Å; F24-V197 PolarHBondContact N-O 3.49Å; F24-V197 PolarHBondContact O-N 3.47Å; F24-A199 HydrophobicContact CD2-CB 3.76Å; F24-A199 HydrophobicContact CE2-CB 3.67Å
25R87.9Confident76.5Confident175 Ų17583.1 Ų83.166%0.6646%0.463SS*.EExtended strand (participates in β ladder)trans-80.4146.3167.3-54.3-175.3-150.4-175.57.1107.9N27 A28R25-N27 WeakPolarHBondContact CB-OD1 3.31Å; R25-N27 PolarHBondContact O-N 2.9Å; R25-N27 VanDerWaalsContact O-N 3.11Å; R25-A28 HydrophobicContact CB-CB 4.25Å; R25-A28 CarbonylContact O-C 3.5Å; R25-A28 PolarHBondContact O-N 2.95Å
26S83.2Confident79.2Confident84 Ų8477.2 Ų77.259%0.58743%0.426SS*.THydrogen-bonded Turntrans-56.4-29.1179.854.50000113.9
27N84.2Confident81.9Confident138 Ų13867.5 Ų67.574%0.73839%0.394SS*.THydrogen-bonded Turntrans-94.32.6178.166.4-11.5000114.7R25R25-N27 WeakPolarHBondContact CB-OD1 3.31Å; R25-N27 PolarHBondContact O-N 2.9Å; R25-N27 VanDerWaalsContact O-N 3.11Å
28A86.9Confident84.4Confident56 Ų5666.4 Ų66.446%0.46338%0.381SS..BIsolated β-bridgetrans-138.462.1-177.400000109.8R25R25-A28 HydrophobicContact CB-CB 4.25Å; R25-A28 CarbonylContact O-C 3.5Å; R25-A28 PolarHBondContact O-N 2.95Å
29L89.2Confident86.9Confident75 Ų7568.2 Ų68.239%0.39338%0.383SS..PPolyproline II helixtrans-69.9149.8-179.9-66.1-176.9000111.8V197L29-V197 HydrophobicContact CD2-CG1 4.4Å
30P91.3Very high89.1Confident2 Ų266 Ų661%0.01336%0.355CS..PPolyproline II helixtrans-63.8141.5-178.326.2-35.7000112.3F24 W34 L36 R182 A199F24-P30 HydrophobicContact CD1-CB 4.46Å; F24-P30 HydrophobicContact CD2-CG 3.99Å; F24-P30 HydrophobicContact CE1-CB 4.09Å; F24-P30 HydrophobicContact CE2-CB 4.19Å; F24-P30 HydrophobicContact CE2-CG 3.84Å; F24-P30 HydrophobicContact CG-CG 4.37Å; F24-P30 HydrophobicContact CZ-CB 3.93Å; F24-P30 HydrophobicContact CZ-CG 4.12Å; P30-W34 HydrophobicContact CB-CB 4.46Å; P30-W34 HydrophobicContact CB-CD2 4.34Å; P30-W34 HydrophobicContact CB-CE3 3.3Å; P30-W34 HydrophobicContact CB-CZ3 3.88Å; P30-L36 HydrophobicContact CB-CD1 4.43Å; P30-L36 HydrophobicContact CB-CD2 4.34Å; P30-L36 HydrophobicContact CG-CD1 3.9Å; P30-L36 HydrophobicContact CG-CD2 4.3Å; P30-R182 PolarHBondContact O-NH1 2.87Å; P30-A199 HydrophobicContact CG-CB 3.88Å
31P93Very high90.3Very high64 Ų6464.3 Ų64.342%0.41635%0.35SS..PPolyproline II helixtrans-55.8157.6167.8-28.438.2000113.3D33 W34 R182P31-D33 VanDerWaalsContact C-N 3.28Å; P31-D33 WeakPolarHBondContact CB-OD1 3.26Å; P31-D33 PolarHBondContact O-N 3.16Å; P31-W34 WeakPolarHBondContact O-CB 3.41Å; P31-W34 PolarHBondContact O-N 3.34Å; P31-R182 PolarHBondContact O-NH1 3.16Å; P31-R182 PolarHBondContact O-NH2 3.46Å; P31-R182 VanDerWaalsContact O-NH2 3.12Å
32L93.8Very high90.8Very high9 Ų966 Ų665%0.04735%0.351CS..THydrogen-bonded Turntrans-69.4-23.4-175.4-65.8176.8000113.8F94 P105 Q128 T131 L133 R182L32-F94 HydrophobicContact CB-CZ 4.37Å; L32-F94 HydrophobicContact CD2-CD1 4.24Å; L32-F94 HydrophobicContact CD2-CE1 3.99Å; L32-F94 HydrophobicContact CD2-CZ 4.39Å; L32-P105 HydrophobicContact CB-CG 3.57Å; L32-P105 HydrophobicContact CD1-CG 4Å; L32-P105 HydrophobicContact CG-CG 4.46Å; L32-Q128 HydrophobicContact CD1-CB 4.38Å; L32-T131 HydrophobicContact CD1-CG2 3.96Å; L32-L133 HydrophobicContact CD1-CD2 3.89Å; L32-L133 HydrophobicContact CD2-CD2 4.06Å; L32-R182 PolarHBondContact O-NH2 2.91Å
33D91.1Very high91Very high92 Ų9266.3 Ų66.349%0.49235%0.351SS..THydrogen-bonded Turntrans-88.2-4.4177.760.3-29.3000113.7P31 R104P31-D33 VanDerWaalsContact C-N 3.28Å; P31-D33 WeakPolarHBondContact CB-OD1 3.26Å; P31-D33 PolarHBondContact O-N 3.16Å; D33-R104 HydrophobicContact CB-CB 4.3Å; D33-R104 HydrophobicContact CB-CG 3.83Å
34W91.3Very high91.4Very high100 Ų10067.9 Ų67.938%0.37936%0.358SS..SBendtrans-76.2132.3179.2-140.815.7000110.5F24 P30 P31 L36 R182F24-W34 HydrophobicContact CD1-CZ3 4.01Å; F24-W34 AromaticContact CE1-CE3 3.95Å; F24-W34 HydrophobicContact CE1-CE3 3.95Å; F24-W34 AromaticContact CE1-CH2 3.74Å; F24-W34 HydrophobicContact CE1-CH2 3.74Å; F24-W34 AromaticContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CZ-CE3 4.27Å; F24-W34 HydrophobicContact CZ-CZ3 4Å; P30-W34 HydrophobicContact CB-CB 4.46Å; P30-W34 HydrophobicContact CB-CD2 4.34Å; P30-W34 HydrophobicContact CB-CE3 3.3Å; P30-W34 HydrophobicContact CB-CZ3 3.88Å; P31-W34 WeakPolarHBondContact O-CB 3.41Å; P31-W34 PolarHBondContact O-N 3.34Å; W34-L36 PolarHBondContact O-N 3.33Å; W34-R182 PolarHBondContact O-NH2 3.17Å
35P89.8Confident91.7Very high88 Ų8866.8 Ų66.857%0.57135%0.354SS*.  trans-73.4118.3-179.229.8-30.7000109.2
36L92.9Very high92.2Very high21 Ų2163 Ų6311%0.1134%0.339CS..  trans-115.5146.6177.1-65.5175.9000109.8F24 P30 W34 R182 A199 Q201F24-L36 HydrophobicContact CE2-CD2 3.79Å; F24-L36 HydrophobicContact CZ-CD2 3.82Å; P30-L36 HydrophobicContact CB-CD1 4.43Å; P30-L36 HydrophobicContact CB-CD2 4.34Å; P30-L36 HydrophobicContact CG-CD1 3.9Å; P30-L36 HydrophobicContact CG-CD2 4.3Å; W34-L36 PolarHBondContact O-N 3.33Å; L36-R182 HydrophobicContact CD1-CG 4.29Å; L36-A199 HydrophobicContact CD1-CB 3.7Å; L36-A199 HydrophobicContact CD2-CB 4.22Å; L36-Q201 HydrophobicContact CB-CB 3.63Å; L36-Q201 HydrophobicContact CD1-CB 4.31Å
37P94.7Very high93Very high34 Ų3460.1 Ų60.122%0.22132%0.317CS..  trans-76.6154178.833.2-35.1000111.3P22 Q39 L200 Q201P22-P37 HydrophobicContact CB-CG 3.94Å; P22-P37 HydrophobicContact CG-CG 3.95Å; P37-Q39 VanDerWaalsContact C-N 3.34Å; P37-Q39 WeakPolarHBondContact CB-O 2.92Å; P37-L200 HydrophobicContact CG-CD2 4.36Å; P37-L200 CarbonylContact O-C 3.57Å; P37-L200 VanDerWaalsContact O-CA 3.3Å; P37-L200 WeakPolarHBondContact O-CA 3.35Å; P37-Q201 CarbonylContact C-O 3.6Å; P37-Q201 PolarHBondContact O-N 2.78Å
38S96Very high93.6Very high51 Ų5157.9 Ų57.936%0.35730%0.302SS..SBendtrans-78.9-22.1169.458.80000112.5L45 Q201S38-L45 PolarHBondContact O-N 3.16Å; S38-Q201 WeakPolarHBondContact CA-O 3.4Å; S38-Q201 WeakPolarHBondContact CB-O 3.37Å; S38-Q201 PolarHBondContact N-O 3.3Å
39Q95.4Very high94.1Very high100 Ų10057.7 Ų57.747%0.46730%0.295SS..EExtended strand (participates in β ladder)trans-134.7138.9-178.1-173.3-177.7-4.100111.4P37 D41 F43 E44P37-Q39 VanDerWaalsContact C-N 3.34Å; P37-Q39 WeakPolarHBondContact CB-O 2.92Å; Q39-D41 PolarHBondContact NE2-O 3.14Å; Q39-F43 CarbonylContact C-O 3.57Å; Q39-F43 VanDerWaalsContact CA-O 3.26Å; Q39-F43 WeakPolarHBondContact CA-O 3.46Å; Q39-F43 VanDerWaalsContact CG-O 3.31Å; Q39-F43 WeakPolarHBondContact CG-O 3.44Å; Q39-E44 HydrophobicContact CB-CB 4.38Å; Q39-E44 HydrophobicContact CB-CG 4.23Å; Q39-E44 HydrophobicContact CG-CB 4.09Å; Q39-E44 HydrophobicContact CG-CG 4.35Å
40F93.3Very high94.5Very high53 Ų5357.4 Ų57.423%0.23229%0.292CS..EExtended strand (participates in β ladder)trans-146.9124.9169.9-171.7-92.3000109.4P22 Q42 F43 L198 L200P22-F40 HydrophobicContact CG-CB 4.21Å; P22-F40 HydrophobicContact CG-CD1 4.46Å; P22-F40 HydrophobicContact CG-CD2 3.35Å; P22-F40 HydrophobicContact CG-CE2 3.76Å; P22-F40 HydrophobicContact CG-CG 3.75Å; P22-F40 HydrophobicContact CG-CZ 4.46Å; F40-Q42 PolarHBondContact O-N 2.96Å; F40-F43 PolarHBondContact N-O 3.01Å; F40-F43 PolarHBondContact O-N 3.42Å; F40-L198 HydrophobicContact CB-CD1 3.93Å; F40-L198 HydrophobicContact CB-CD2 4.07Å; F40-L198 HydrophobicContact CD1-CD1 4.06Å; F40-L198 HydrophobicContact CD1-CD2 4.02Å; F40-L198 HydrophobicContact CG-CD1 4.02Å; F40-L198 HydrophobicContact CG-CD2 4.42Å; F40-L200 HydrophobicContact CB-CD2 3.93Å
41D90.4Very high94.8Very high94 Ų9457.7 Ų57.750%0.50329%0.293SS..THydrogen-bonded Turntrans48.8-124.4-170.6-59.2-31000112Q39 F43Q39-D41 PolarHBondContact NE2-O 3.14Å; D41-F43 VanDerWaalsContact C-N 3.32Å
42Q91Very high94.7Very high97 Ų9759.6 Ų59.645%0.45329%0.292SS..THydrogen-bonded Turntrans-76.9-13.717769.3-865.500114.4F40 G82F40-Q42 PolarHBondContact O-N 2.96Å; Q42-G82 WeakPolarHBondContact O-CA 3.3Å
43F95.1Very high94.5Very high18 Ų1863.1 Ų63.18%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-90.5128.4-173.2-56.1-69.8000111Q39 F40 D41 C81 G82 Y83 L185 V191 L198 L200Q39-F43 CarbonylContact C-O 3.57Å; Q39-F43 VanDerWaalsContact CA-O 3.26Å; Q39-F43 WeakPolarHBondContact CA-O 3.46Å; Q39-F43 VanDerWaalsContact CG-O 3.31Å; Q39-F43 WeakPolarHBondContact CG-O 3.44Å; F40-F43 PolarHBondContact N-O 3.01Å; F40-F43 PolarHBondContact O-N 3.42Å; D41-F43 VanDerWaalsContact C-N 3.32Å; F43-C81 WeakPolarHBondContact CA-O 3.24Å; F43-G82 WeakPolarHBondContact CE1-O 3.43Å; F43-Y83 HydrophobicContact CE1-CD2 4.23Å; F43-L185 HydrophobicContact CB-CD1 4.43Å; F43-L185 HydrophobicContact CD1-CD1 3.9Å; F43-L185 HydrophobicContact CD2-CD1 3.73Å; F43-L185 HydrophobicContact CE1-CD1 3.99Å; F43-L185 HydrophobicContact CE2-CD1 3.79Å; F43-L185 HydrophobicContact CG-CD1 3.77Å; F43-L185 HydrophobicContact CZ-CD1 3.92Å; F43-V191 HydrophobicContact CE2-CG1 4.15Å; F43-L198 HydrophobicContact CB-CD2 4.23Å; F43-L198 HydrophobicContact CD2-CD2 3.58Å; F43-L198 HydrophobicContact CE2-CD2 4.29Å; F43-L198 HydrophobicContact CG-CD2 4.23Å; F43-L200 HydrophobicContact CB-CD1 3.82Å
44E97.5Very high94.6Very high51 Ų5160.7 Ų60.724%0.23830%0.302CS..EExtended strand (participates in β ladder)trans-134.7120.4177.8-174.8-171-166.900110Q39 R46 L80 C81Q39-E44 HydrophobicContact CB-CB 4.38Å; Q39-E44 HydrophobicContact CB-CG 4.23Å; Q39-E44 HydrophobicContact CG-CB 4.09Å; Q39-E44 HydrophobicContact CG-CG 4.35Å; E44-R46 HydrophobicContact CG-CB 4.28Å; E44-R46 IonicContact OE2-CZ 3.13Å; E44-R46 IonicContact OE2-NE 2.92Å; E44-R46 IonicContact OE2-NH1 2.61Å; E44-R46 PolarHBondContact OE2-NH1 3.35Å; E44-L80 CarbonylContact O-C 3.57Å; E44-L80 WeakPolarHBondContact O-CA 3.31Å; E44-C81 HydrophobicContact CB-CB 4.31Å; E44-C81 PolarHBondContact N-O 3.19Å; E44-C81 VanDerWaalsContact N-O 3.16Å; E44-C81 PolarHBondContact O-N 2.78Å
45L98.6Very high94.8Very high1 Ų156.9 Ų56.91%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-93.6115.2166.1-175.268.9000108.5S38 V78 L80 L91 F181 T183 L200 V202S38-L45 PolarHBondContact O-N 3.16Å; L45-V78 HydrophobicContact CD1-CG1 3.73Å; L45-V78 HydrophobicContact CG-CG1 4.33Å; L45-L80 HydrophobicContact CB-CD1 4.44Å; L45-L80 HydrophobicContact CD1-CB 4.33Å; L45-L91 HydrophobicContact CD1-CD1 4.13Å; L45-L91 HydrophobicContact CD2-CD1 4.37Å; L45-F181 HydrophobicContact CD2-CB 4.33Å; L45-F181 WeakPolarHBondContact CD2-O 3.43Å; L45-T183 HydrophobicContact CD1-CG2 4.24Å; L45-T183 HydrophobicContact CD2-CG2 4.21Å; L45-L200 HydrophobicContact CB-CB 3.96Å; L45-L200 HydrophobicContact CB-CD1 4.32Å; L45-L200 HydrophobicContact CD2-CB 4.45Å; L45-V202 HydrophobicContact CD2-CG1 3.95Å; L45-V202 HydrophobicContact CG-CG1 3.83Å
46R98.3Very high95Very high96 Ų9656 Ų5636%0.36227%0.273SS..EExtended strand (participates in β ladder)trans-133.1155.6-177.161.7177.6167.5-152.94.9112.9E44 V78 K79 C81E44-R46 HydrophobicContact CG-CB 4.28Å; E44-R46 IonicContact OE2-CZ 3.13Å; E44-R46 IonicContact OE2-NE 2.92Å; E44-R46 IonicContact OE2-NH1 2.61Å; E44-R46 PolarHBondContact OE2-NH1 3.35Å; R46-V78 WeakPolarHBondContact O-CA 3.4Å; R46-K79 PolarHBondContact N-O 3.02Å; R46-K79 PolarHBondContact O-N 2.83Å; R46-C81 PolarHBondContact NE-SG 2.94Å; R46-C81 PolarHBondContact NH2-SG 3.02Å
47I98.4Very high95.2Very high22 Ų2255.4 Ų55.411%0.11327%0.272CS..EExtended strand (participates in β ladder)trans-95.8107.3174.4-55.8172.3000106.7V49 Q50 V77 V78 F181 V202 S204I47-V49 VanDerWaalsContact CG2-O 3.24Å; I47-V49 WeakPolarHBondContact CG2-O 3.3Å; I47-Q50 HydrophobicContact CG2-CG 4.27Å; I47-V77 CarbonylContact C-O 3.42Å; I47-V77 WeakPolarHBondContact CA-O 3.29Å; I47-V78 HydrophobicContact CG1-CG2 4.34Å; I47-F181 HydrophobicContact CD1-CD2 3.92Å; I47-F181 HydrophobicContact CD1-CE2 3.86Å; I47-F181 HydrophobicContact CG1-CD2 4.09Å; I47-F181 HydrophobicContact CG1-CE2 4.18Å; I47-V202 HydrophobicContact CD1-CG1 4.2Å; I47-V202 HydrophobicContact CD1-CG2 3.97Å; I47-V202 HydrophobicContact CG1-CG1 3.78Å; I47-V202 HydrophobicContact CG1-CG2 3.98Å; I47-S204 VanDerWaalsContact CD1-CA 3.45Å
48E97.1Very high95.2Very high91 Ų9154 Ų5443%0.42526%0.262SS..EExtended strand (participates in β ladder)trans-76.2-35.2177.7-69.7-168.7152.500111.2V77 K79E48-V77 HydrophobicContact CB-CB 4.41Å; E48-V77 HydrophobicContact CB-CG1 4.27Å; E48-V77 PolarHBondContact N-O 3.28Å; E48-K79 VanDerWaalsContact CD-CD 3.49Å; E48-K79 HydrophobicContact CG-CB 4.11Å; E48-K79 HydrophobicContact CG-CD 4.4Å; E48-K79 WeakPolarHBondContact OE1-CD 3.32Å; E48-K79 IonicContact OE1-NZ 3.49Å; E48-K79 PolarHBondContact OE1-NZ 2.84Å; E48-K79 VanDerWaalsContact OE1-NZ 3.14Å
49V97.7Very high95.2Very high53 Ų5356 Ų5632%0.32126%0.262SS..EExtended strand (participates in β ladder)trans-127.9116.5176.7-178.20000109.4I47 A70 P76 V77I47-V49 VanDerWaalsContact CG2-O 3.24Å; I47-V49 WeakPolarHBondContact CG2-O 3.3Å; V49-A70 HydrophobicContact CG1-CB 3.41Å; V49-A70 VanDerWaalsContact CG1-CB 3.41Å; V49-P76 VanDerWaalsContact O-CA 3.24Å; V49-P76 WeakPolarHBondContact O-CA 3.49Å; V49-P76 WeakPolarHBondContact O-CB 3.34Å; V49-V77 HydrophobicContact CB-CB 3.9Å; V49-V77 HydrophobicContact CB-CG2 3.96Å; V49-V77 HydrophobicContact CG2-CB 3.92Å; V49-V77 HydrophobicContact CG2-CG2 3.85Å; V49-V77 PolarHBondContact N-O 2.8Å; V49-V77 PolarHBondContact O-N 3.01Å; V49-V77 VanDerWaalsContact O-N 3.1Å
50Q97.4Very high95Very high68 Ų6858.5 Ų58.532%0.31827%0.274SS..PPolyproline II helixtrans-74.5150.3179.8-69.6-73.9-400111.9I47 A70 L205I47-Q50 HydrophobicContact CG2-CG 4.27Å; Q50-A70 WeakPolarHBondContact O-CB 3.42Å; Q50-L205 HydrophobicContact CB-CD1 4.36Å; Q50-L205 HydrophobicContact CG-CD1 4.1Å; Q50-L205 HydrophobicContact CG-CG 4.23Å; Q50-L205 VanDerWaalsContact OE1-N 3.07Å
51P97.2Very high94.9Very high8 Ų861.8 Ų61.85%0.05230%0.298CS..BIsolated β-bridgetrans-65.7157168.429.8-33.2000111.1V68 P76 I207P51-V68 HydrophobicContact CB-CG1 3.52Å; P51-P76 HydrophobicContact CB-CG 3.83Å; P51-I207 HydrophobicContact CB-CD1 3.79Å; P51-I207 HydrophobicContact CB-CG1 4.26Å; P51-I207 HydrophobicContact CG-CD1 3.71Å; P51-I207 HydrophobicContact CG-CG1 3.98Å
52R91.6Very high94.8Very high105 Ų10559.9 Ų59.940%0.39629%0.287SS..PPolyproline II helixtrans-58.2149.5168.7-71.7-179.7-176.1-159.7-3.7109.7H54 K69 A70 A71 P72R52-H54 PolarHBondContact O-N 3.1Å; R52-K69 WeakPolarHBondContact CG-O 3.36Å; R52-K69 PolarHBondContact N-O 2.78Å; R52-A70 PolarHBondContact NE-O 3.36Å; R52-A70 PolarHBondContact NH2-O 3.35Å; R52-A71 HydrophobicContact CG-CB 4.16Å; R52-P72 PolarHBondContact NH2-O 3.34Å
53P90.5Very high94.7Very high83 Ų8358.3 Ų58.354%0.53930%0.296SS..SBendtrans-66.81.3178.928.9-36.5000113.3E208P53-E208 WeakPolarHBondContact O-CB 3.44Å; P53-E208 PolarHBondContact O-N 3.01Å
54H93.3Very high94.5Very high41 Ų4160.4 Ų60.419%0.1931%0.313CS..BIsolated β-bridgetrans-148.3136.3179.9-17880.8000112.7R52 E208 S210 R212R52-H54 PolarHBondContact O-N 3.1Å; H54-E208 WeakPolarHBondContact CA-O 3.48Å; H54-E208 HydrophobicContact CB-CB 4.49Å; H54-E208 PolarHBondContact ND1-O 2.67Å; H54-S210 PolarHBondContact CE1-O 3.18Å; H54-R212 VanDerWaalsContact CB-NH2 3.33Å; H54-R212 PolarHBondContact CD2-NE 2.61Å; H54-R212 WeakPolarHBondContact CE1-CG 3.42Å; H54-R212 PolarHBondContact CE1-NE 3.11Å; H54-R212 PolarHBondContact ND1-NE 2.6Å; H54-R212 VanDerWaalsContact ND1-NE 3.19Å; H54-R212 WeakPolarHBondContact NE2-CD 3.44Å; H54-R212 PolarHBondContact NE2-NE 3.06Å
55H94.8Very high94.3Very high19 Ų1963.7 Ų63.79%0.08832%0.323CS..  trans-152113.3171.6173.390000108.1A57 G66 V68 I153 I207 E208 C209H55-A57 PolarHBondContact O-N 3.13Å; H55-A57 VanDerWaalsContact O-N 3.09Å; H55-G66 PolarHBondContact CE1-O 2.91Å; H55-V68 HydrophobicContact CB-CG2 4.4Å; H55-I153 HydrophobicContact CB-CD1 4.48Å; H55-I207 HydrophobicContact CB-CG2 3.77Å; H55-E208 PolarHBondContact N-O 3.12Å; H55-C209 VanDerWaalsContact O-CA 3.29Å; H55-C209 WeakPolarHBondContact O-CA 3.21Å
56R94.8Very high94.1Very high69 Ų6964.8 Ų64.826%0.2633%0.334SS..  trans-64.1114.3177.6177.3-178.6171.61587.2110.1Q211R56-Q211 VanDerWaalsContact CZ-CD 3.43Å
57A96Very high94.1Very high10 Ų1060.6 Ų60.68%0.08332%0.321CS..  trans-68.2158.2171.900000111.3H55 Y109 I153 K155 C209H55-A57 PolarHBondContact O-N 3.13Å; H55-A57 VanDerWaalsContact O-N 3.09Å; A57-Y109 HydrophobicContact CB-CD1 3.99Å; A57-Y109 HydrophobicContact CB-CE1 3.77Å; A57-I153 WeakPolarHBondContact CA-O 3.11Å; A57-I153 HydrophobicContact CB-CB 4.17Å; A57-I153 HydrophobicContact CB-CG2 3.87Å; A57-K155 HydrophobicContact CB-CB 4.23Å; A57-C209 HydrophobicContact CB-CB 4.06Å; A57-C209 PolarHBondContact N-O 2.99Å; A57-C209 VanDerWaalsContact N-O 3.12Å
58H95.1Very high94Very high4 Ų459.6 Ų59.62%0.01932%0.316CS..BIsolated β-bridgetrans-115.8154.5176.766.4-69.8000111.1E62 R65 H112 I153 L154 K155H58-E62 HydrophobicContact CB-CB 4.12Å; H58-R65 HydrophobicContact CB-CB 4.49Å; H58-R65 HydrophobicContact CB-CG 3.68Å; H58-H112 AromaticContact CE1-CD2 3.45Å; H58-H112 PolarHBondContact CE1-CD2 3.36Å; H58-H112 VanDerWaalsContact CE1-CD2 3.45Å; H58-H112 AromaticContact CE1-CG 3.44Å; H58-H112 VanDerWaalsContact CE1-CG 3.44Å; H58-H112 AromaticContact CE1-ND1 3.92Å; H58-H112 AromaticContact CE1-NE2 3.93Å; H58-H112 AromaticContact NE2-CD2 3.71Å; H58-H112 AromaticContact NE2-CE1 3.69Å; H58-H112 AromaticContact NE2-CG 3.65Å; H58-H112 AromaticContact NE2-ND1 3.65Å; H58-H112 AromaticContact NE2-NE2 3.72Å; H58-I153 PolarHBondContact CE1-O 2.83Å; H58-I153 PolarHBondContact N-O 3.21Å; H58-I153 PolarHBondContact ND1-O 2.88Å; H58-L154 CarbonylContact O-C 3.6Å; H58-L154 WeakPolarHBondContact O-CA 3.12Å; H58-L154 WeakPolarHBondContact O-CD1 3.19Å; H58-K155 PolarHBondContact O-N 2.89Å
59Y94.8Very high94Very high93 Ų9359.9 Ų59.937%0.36532%0.315SS..  trans-83.8161.1165.6-64.6-81.4000110.1T61 E62 K155 R157Y59-T61 PolarHBondContact O-N 3.04Å; Y59-E62 WeakPolarHBondContact CD2-OE1 3.26Å; Y59-E62 WeakPolarHBondContact O-CA 3.25Å; Y59-E62 WeakPolarHBondContact O-CB 3.45Å; Y59-E62 PolarHBondContact O-N 2.97Å; Y59-K155 HydrophobicContact CD1-CB 4.12Å; Y59-K155 HydrophobicContact CD1-CG 3.98Å; Y59-K155 WeakPolarHBondContact CD1-O 3.4Å; Y59-K155 HydrophobicContact CE1-CB 3.98Å; Y59-K155 HydrophobicContact CE1-CG 3.36Å; Y59-R157 HydrophobicContact CD1-CG 4.24Å
60E91.4Very high93.8Very high153 Ų15357.3 Ų57.372%0.71530%0.3SS*.THydrogen-bonded Turntrans-61.2-27.7177.5-172.9167.4-146.900112.9E62 L154E60-E62 VanDerWaalsContact C-N 3.28Å; E60-L154 HydrophobicContact CB-CD1 4.24Å
61T90.9Very high93Very high121 Ų12157.3 Ų57.374%0.74231%0.311SS*.THydrogen-bonded Turntrans-76.3-14.8174.556.90000113.4Y59Y59-T61 PolarHBondContact O-N 3.04Å
62E89.6Confident91.8Very high55 Ų5562.4 Ų62.426%0.25734%0.344SS..SBendtrans-90.9146.6173.6-64.7-174.6-15600109.5H58 Y59 E60 R65H58-E62 HydrophobicContact CB-CB 4.12Å; Y59-E62 WeakPolarHBondContact CD2-OE1 3.26Å; Y59-E62 WeakPolarHBondContact O-CA 3.25Å; Y59-E62 WeakPolarHBondContact O-CB 3.45Å; Y59-E62 PolarHBondContact O-N 2.97Å; E60-E62 VanDerWaalsContact C-N 3.28Å; E62-R65 IonicContact OE2-CZ 2.61Å; E62-R65 IonicContact OE2-NE 3.68Å; E62-R65 PolarHBondContact OE2-NE 2.71Å; E62-R65 IonicContact OE2-NH2 3Å; E62-R65 PolarHBondContact OE2-NH2 2.87Å
63G89.1Confident91.3Very high63 Ų6363 Ų6365%0.64936%0.36SS*.PPolyproline II helixtrans-59.8152.716500000111.4R65G63-R65 PolarHBondContact O-N 2.84Å
64S91.3Very high91.4Very high62 Ų6260.8 Ų60.843%0.43435%0.352SS..PPolyproline II helixtrans-54.1134.9-179.4-169.80000112.1G66 H112S64-G66 PolarHBondContact O-N 2.93Å; S64-G66 PolarHBondContact OG-N 2.8Å; S64-H112 PolarHBondContact OG-CD2 3.12Å; S64-H112 PolarHBondContact OG-NE2 2.98Å
65R92.5Very high91.6Very high121 Ų12160.2 Ų60.246%0.45735%0.349SS..  trans-846.8174.1-66.6-82.6-178.9-174.4-4.6113H58 E62 G63H58-R65 HydrophobicContact CB-CB 4.49Å; H58-R65 HydrophobicContact CB-CG 3.68Å; E62-R65 IonicContact OE2-CZ 2.61Å; E62-R65 IonicContact OE2-NE 3.68Å; E62-R65 PolarHBondContact OE2-NE 2.71Å; E62-R65 IonicContact OE2-NH2 3Å; E62-R65 PolarHBondContact OE2-NH2 2.87Å; G63-R65 PolarHBondContact O-N 2.84Å
66G95Very high91.8Very high23 Ų2359.3 Ų59.324%0.23735%0.345CS..  trans77-176.6-175.900000113H55 S64H55-G66 PolarHBondContact CE1-O 2.91Å; S64-G66 PolarHBondContact O-N 2.93Å; S64-G66 PolarHBondContact OG-N 2.8Å
67A97.2Very high92Very high9 Ų957.1 Ų57.17%0.07434%0.339CS..  trans-79.4157.2-175.800000113.2V114 D149 A151A67-V114 HydrophobicContact CB-CB 4.43Å; A67-V114 HydrophobicContact CB-CG2 4.19Å; A67-D149 VanDerWaalsContact CB-C 3.46Å; A67-D149 WeakPolarHBondContact CB-O 3.02Å; A67-A151 CarbonylContact C-O 3.4Å; A67-A151 WeakPolarHBondContact CA-O 3.34Å; A67-A151 WeakPolarHBondContact CB-O 3.36Å
68V97.6Very high92.1Very high1 Ų156.6 Ų56.61%0.00634%0.335CS..  trans-59.9136.7172.7-178.50000109.6P51 H55 H75 P76 A151 I153 L179 I207P51-V68 HydrophobicContact CB-CG1 3.52Å; H55-V68 HydrophobicContact CB-CG2 4.4Å; V68-H75 PolarHBondContact O-ND1 2.83Å; V68-P76 HydrophobicContact CG1-CG 4.3Å; V68-P76 WeakPolarHBondContact O-CD 3.33Å; V68-A151 PolarHBondContact N-O 3.01Å; V68-I153 HydrophobicContact CG2-CD1 3.93Å; V68-I153 HydrophobicContact CG2-CG1 3.9Å; V68-L179 HydrophobicContact CB-CD1 4.27Å; V68-L179 HydrophobicContact CG1-CD1 4.26Å; V68-L179 HydrophobicContact CG2-CD1 4.25Å; V68-I207 HydrophobicContact CG1-CD1 4.11Å
69K96.1Very high92.3Very high96 Ų9658.8 Ų58.842%0.41735%0.345SS..  trans-107.3159-176.3-64.5-69.5179.2174.10111.2R52 G74 H75R52-K69 WeakPolarHBondContact CG-O 3.36Å; R52-K69 PolarHBondContact N-O 2.78Å; K69-G74 WeakPolarHBondContact CA-O 3.43Å; K69-G74 VanDerWaalsContact CD-O 3.26Å; K69-G74 WeakPolarHBondContact CD-O 3.48Å; K69-H75 VanDerWaalsContact CE-CE1 3.45Å; K69-H75 WeakPolarHBondContact CE-CE1 3.4Å; K69-H75 PolarHBondContact NZ-CE1 2.83Å; K69-H75 PolarHBondContact NZ-NE2 2.81Å
70A93.1Very high92.4Very high0 Ų054.6 Ų54.60%033%0.329CS..BIsolated β-bridgetrans-106.6164.6170.800000111.8V49 Q50 R52 G74V49-A70 HydrophobicContact CG1-CB 3.41Å; V49-A70 VanDerWaalsContact CG1-CB 3.41Å; Q50-A70 WeakPolarHBondContact O-CB 3.42Å; R52-A70 PolarHBondContact NE-O 3.36Å; R52-A70 PolarHBondContact NH2-O 3.35Å; A70-G74 PolarHBondContact N-O 2.87Å
71A81.1Confident92.7Very high67 Ų6748.4 Ų48.455%0.55430%0.302SS*.SBendtrans-104.3142.3171.500000109.7R52R52-A71 HydrophobicContact CG-CB 4.16Å
72P71.5Confident92.8Very high115 Ų11544.3 Ų44.375%0.74728%0.284SS*.SBendcis-76.8-30.5129.2-33.4000113.9R52R52-P72 PolarHBondContact NH2-O 3.34Å
73T82Confident92.9Very high117 Ų11742.7 Ų42.772%0.71828%0.276SS*.SBendtrans-143.5167.2176.858.30000110.5
74G93.1Very high92.9Very high37 Ų3746.1 Ų46.138%0.38128%0.284SS..SBendtrans89.2-150.117500000115.3K69 A70K69-G74 WeakPolarHBondContact CA-O 3.43Å; K69-G74 VanDerWaalsContact CD-O 3.26Å; K69-G74 WeakPolarHBondContact CD-O 3.48Å; A70-G74 PolarHBondContact N-O 2.87Å
75H97.8Very high92.6Very high29 Ų2946.3 Ų46.313%0.13428%0.278CS..  trans-132.1159.5-170.5-67.3-84.1000111V68 K69 L147 D149V68-H75 PolarHBondContact O-ND1 2.83Å; K69-H75 VanDerWaalsContact CE-CE1 3.45Å; K69-H75 WeakPolarHBondContact CE-CE1 3.4Å; K69-H75 PolarHBondContact NZ-CE1 2.83Å; K69-H75 PolarHBondContact NZ-NE2 2.81Å; H75-L147 HydrophobicContact CB-CD1 3.83Å; H75-L147 HydrophobicContact CB-CG 4.15Å; H75-D149 HydrophobicContact CB-CB 4.34Å
76P98.3Very high92.3Very high0 Ų051.5 Ų51.50%030%0.297CS..  trans-57.2149.1173.5-21.632.9000111.7V49 P51 V68 I148V49-P76 VanDerWaalsContact O-CA 3.24Å; V49-P76 WeakPolarHBondContact O-CA 3.49Å; V49-P76 WeakPolarHBondContact O-CB 3.34Å; P51-P76 HydrophobicContact CB-CG 3.83Å; V68-P76 HydrophobicContact CG1-CG 4.3Å; V68-P76 WeakPolarHBondContact O-CD 3.33Å; P76-I148 HydrophobicContact CB-CB 4.21Å; P76-I148 HydrophobicContact CB-CG1 4.36Å; P76-I148 WeakPolarHBondContact O-CG1 3.41Å; P76-I148 PolarHBondContact O-N 2.74Å
77V98.3Very high92.1Very high23 Ų2356.8 Ų56.814%0.13931%0.314CS..EExtended strand (participates in β ladder)trans-129130.6-179.6-179.50000109I47 E48 V49 T145 A146 L147I47-V77 CarbonylContact C-O 3.42Å; I47-V77 WeakPolarHBondContact CA-O 3.29Å; E48-V77 HydrophobicContact CB-CB 4.41Å; E48-V77 HydrophobicContact CB-CG1 4.27Å; E48-V77 PolarHBondContact N-O 3.28Å; V49-V77 HydrophobicContact CB-CB 3.9Å; V49-V77 HydrophobicContact CB-CG2 3.96Å; V49-V77 HydrophobicContact CG2-CB 3.92Å; V49-V77 HydrophobicContact CG2-CG2 3.85Å; V49-V77 PolarHBondContact N-O 2.8Å; V49-V77 PolarHBondContact O-N 3.01Å; V49-V77 VanDerWaalsContact O-N 3.1Å; V77-T145 HydrophobicContact CG1-CG2 3.43Å; V77-T145 VanDerWaalsContact CG1-CG2 3.43Å; V77-A146 WeakPolarHBondContact CA-O 3.17Å; V77-L147 HydrophobicContact CG2-CD1 3.81Å
78V98.6Very high92Very high0 Ų060.3 Ų60.30%034%0.336CS..EExtended strand (participates in β ladder)trans-123.5139.5179.7-179.40000109.3L45 R46 I47 L91 T145 A146 I148 F181L45-V78 HydrophobicContact CD1-CG1 3.73Å; L45-V78 HydrophobicContact CG-CG1 4.33Å; R46-V78 WeakPolarHBondContact O-CA 3.4Å; I47-V78 HydrophobicContact CG1-CG2 4.34Å; V78-L91 HydrophobicContact CB-CD2 4Å; V78-L91 HydrophobicContact CG1-CD1 4.24Å; V78-L91 HydrophobicContact CG1-CD2 3.98Å; V78-T145 CarbonylContact O-C 3.53Å; V78-T145 WeakPolarHBondContact O-CA 3.14Å; V78-A146 PolarHBondContact N-O 2.9Å; V78-A146 PolarHBondContact O-N 2.9Å; V78-I148 HydrophobicContact CG2-CD1 4.36Å; V78-I148 HydrophobicContact CG2-CG1 4.14Å; V78-F181 HydrophobicContact CG1-CB 4.36Å; V78-F181 HydrophobicContact CG1-CG 4.36Å; V78-F181 HydrophobicContact CG2-CD1 3.7Å; V78-F181 HydrophobicContact CG2-CD2 3.91Å; V78-F181 HydrophobicContact CG2-CE1 3.66Å; V78-F181 HydrophobicContact CG2-CE2 3.86Å; V78-F181 HydrophobicContact CG2-CG 3.83Å; V78-F181 HydrophobicContact CG2-CZ 3.73Å
79K98.4Very high91.9Very high50 Ų5061.2 Ų61.222%0.21734%0.341CS..EExtended strand (participates in β ladder)trans-136.9138.3-177.5-175.2175.7-174.41680112.1R46 E48 M144 T145R46-K79 PolarHBondContact N-O 3.02Å; R46-K79 PolarHBondContact O-N 2.83Å; E48-K79 VanDerWaalsContact CD-CD 3.49Å; E48-K79 HydrophobicContact CG-CB 4.11Å; E48-K79 HydrophobicContact CG-CD 4.4Å; E48-K79 WeakPolarHBondContact OE1-CD 3.32Å; E48-K79 IonicContact OE1-NZ 3.49Å; E48-K79 PolarHBondContact OE1-NZ 2.84Å; E48-K79 VanDerWaalsContact OE1-NZ 3.14Å; K79-M144 WeakPolarHBondContact CA-O 3.3Å; K79-T145 HydrophobicContact CB-CG2 4.49Å; K79-T145 WeakPolarHBondContact CG-OG1 3.24Å
80L98.3Very high91.9Very high5 Ų558.9 Ų58.93%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-97.9121.1166.8178.766.4000109.7E44 L45 Y83 L89 L138 M144 T183 L200E44-L80 CarbonylContact O-C 3.57Å; E44-L80 WeakPolarHBondContact O-CA 3.31Å; L45-L80 HydrophobicContact CB-CD1 4.44Å; L45-L80 HydrophobicContact CD1-CB 4.33Å; L80-Y83 HydrophobicContact CD2-CG 4.07Å; L80-L89 HydrophobicContact CD2-CD1 3.56Å; L80-L138 HydrophobicContact CB-CD1 4.43Å; L80-M144 HydrophobicContact CB-CB 4.08Å; L80-M144 HydrophobicContact CD2-CE 4.06Å; L80-M144 PolarHBondContact N-O 3.08Å; L80-M144 WeakPolarHBondContact O-CB 3.49Å; L80-T183 HydrophobicContact CD1-CG2 4.3Å; L80-T183 HydrophobicContact CD2-CG2 4.4Å; L80-L200 HydrophobicContact CD1-CD1 3.98Å
81C96.9Very high92.2Very high23 Ų2358.9 Ų58.916%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-103.5155.6177.2-58.90000110.8F43 E44 R46 Y83F43-C81 WeakPolarHBondContact CA-O 3.24Å; E44-C81 HydrophobicContact CB-CB 4.31Å; E44-C81 PolarHBondContact N-O 3.19Å; E44-C81 VanDerWaalsContact N-O 3.16Å; E44-C81 PolarHBondContact O-N 2.78Å; R46-C81 PolarHBondContact NE-SG 2.94Å; R46-C81 PolarHBondContact NH2-SG 3.02Å; C81-Y83 PolarHBondContact O-N 2.87Å
82G93.2Very high93Very high35 Ų3556.9 Ų56.936%0.36132%0.316SS..SBendtrans80.1-6.1179.300000115.2Q42 F43 V84Q42-G82 WeakPolarHBondContact O-CA 3.3Å; F43-G82 WeakPolarHBondContact CE1-O 3.43Å; G82-V84 PolarHBondContact O-N 3.02Å
83Y92.3Very high94.3Very high20 Ų2051.4 Ų51.48%0.07828%0.28CS..  trans-85.8105.1175.8-169.1-103.9000111F43 L80 C81 E85 K87 L89 M144 L185F43-Y83 HydrophobicContact CE1-CD2 4.23Å; L80-Y83 HydrophobicContact CD2-CG 4.07Å; C81-Y83 PolarHBondContact O-N 2.87Å; Y83-E85 HydrophobicContact CE1-CB 3.83Å; Y83-E85 WeakPolarHBondContact CE1-O 3.49Å; Y83-E85 HydrophobicContact CE2-CB 3.98Å; Y83-E85 HydrophobicContact CE2-CG 4.21Å; Y83-E85 WeakPolarHBondContact OH-CB 3.43Å; Y83-E85 PolarHBondContact OH-OE2 3.26Å; Y83-K87 VanDerWaalsContact CE1-O 3.32Å; Y83-K87 WeakPolarHBondContact CE1-O 3.24Å; Y83-L89 HydrophobicContact CD1-CD1 4.24Å; Y83-L89 HydrophobicContact CD2-CD1 4.22Å; Y83-L89 HydrophobicContact CE1-CD1 4.02Å; Y83-L89 HydrophobicContact CE1-CG 4.11Å; Y83-L89 HydrophobicContact CE2-CD1 4.04Å; Y83-L89 HydrophobicContact CG-CD1 4.31Å; Y83-M144 HydrophobicContact CD1-CE 3.58Å; Y83-M144 HydrophobicContact CD1-CG 4.07Å; Y83-M144 HydrophobicContact CD1-SD 3.93Å; Y83-M144 HydrophobicContact CE1-CE 3.89Å; Y83-M144 HydrophobicContact CE1-SD 4.33Å; Y83-M144 HydrophobicContact CG-CE 4.39Å; Y83-L185 HydrophobicContact CE2-CB 4.42Å
84V87.5Confident95.1Very high135 Ų13545.9 Ų45.982%0.81825%0.246SC*.  trans-98.7-9.3-175.6-62.80000113.6G82G82-V84 PolarHBondContact O-N 3.02Å
85E86.6Confident95.3Very high67 Ų6744.2 Ų44.231%0.31323%0.228SC..SBendtrans-70.6147178.4-64.8-178.8-148.500111.1Y83 K87Y83-E85 HydrophobicContact CE1-CB 3.83Å; Y83-E85 WeakPolarHBondContact CE1-O 3.49Å; Y83-E85 HydrophobicContact CE2-CB 3.98Å; Y83-E85 HydrophobicContact CE2-CG 4.21Å; Y83-E85 WeakPolarHBondContact OH-CB 3.43Å; Y83-E85 PolarHBondContact OH-OE2 3.26Å; E85-K87 PolarHBondContact O-N 3.1Å
86R85.3Confident95.2Very high229 Ų22942.8 Ų42.886%0.86422%0.222SC*.SBendtrans-88.534.6178.8-62.6-169.5178.9-155.30.7113.2
87K91.9Very high95Very high135 Ų13543.5 Ų43.559%0.58723%0.226SC*.  trans-111.6134.5179.2-70.2179.1-179.3171.30110.8Y83 E85Y83-K87 VanDerWaalsContact CE1-O 3.32Å; Y83-K87 WeakPolarHBondContact CE1-O 3.24Å; E85-K87 PolarHBondContact O-N 3.1Å
88P94.3Very high94.6Very high83 Ų8343.2 Ų43.254%0.53923%0.227SC..  trans-62.2147.1171.5-23.534.3000112.3L138P88-L138 CarbonylContact C-O 3.59Å; P88-L138 VanDerWaalsContact CA-O 3.3Å; P88-L138 WeakPolarHBondContact CA-O 3.33Å
89L96.1Very high93.7Very high20 Ų2046.5 Ų46.511%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-119.5169.4171.6-61.5179.4000110.5L80 Y83 L138 M144 L185L80-L89 HydrophobicContact CD2-CD1 3.56Å; Y83-L89 HydrophobicContact CD1-CD1 4.24Å; Y83-L89 HydrophobicContact CD2-CD1 4.22Å; Y83-L89 HydrophobicContact CE1-CD1 4.02Å; Y83-L89 HydrophobicContact CE1-CG 4.11Å; Y83-L89 HydrophobicContact CE2-CD1 4.04Å; Y83-L89 HydrophobicContact CG-CD1 4.31Å; L89-L138 HydrophobicContact CB-CB 4.31Å; L89-L138 PolarHBondContact N-O 2.9Å; L89-L138 PolarHBondContact O-N 2.84Å; L89-M144 HydrophobicContact CB-CE 3.96Å; L89-M144 HydrophobicContact CD1-CE 3.64Å; L89-M144 HydrophobicContact CG-CE 3.75Å; L89-L185 HydrophobicContact CD1-CB 4.01Å
90S96.4Very high92.4Very high47 Ų4750 Ų5033%0.32927%0.265SS..EExtended strand (participates in β ladder)trans-103.4134.7168.9-170.90000110.7D135 T183S90-D135 PolarHBondContact OG-OD1 2.9Å; S90-T183 PolarHBondContact O-OG1 2.88Å
91L98.3Very high91.3Very high0 Ų061.1 Ų61.10%031%0.307CS..EExtended strand (participates in β ladder)trans-100.1111.4165.3-175.666.6000108.6L45 V78 V93 I136 L138 A146 I148 F181L45-L91 HydrophobicContact CD1-CD1 4.13Å; L45-L91 HydrophobicContact CD2-CD1 4.37Å; V78-L91 HydrophobicContact CB-CD2 4Å; V78-L91 HydrophobicContact CG1-CD1 4.24Å; V78-L91 HydrophobicContact CG1-CD2 3.98Å; L91-V93 HydrophobicContact CG-CG2 4.41Å; L91-I136 HydrophobicContact CB-CB 4.38Å; L91-I136 WeakPolarHBondContact CB-O 3.46Å; L91-I136 PolarHBondContact N-O 3.01Å; L91-I136 PolarHBondContact O-N 2.79Å; L91-L138 HydrophobicContact CB-CD1 3.88Å; L91-L138 HydrophobicContact CB-CD2 4.42Å; L91-L138 HydrophobicContact CB-CG 3.86Å; L91-L138 HydrophobicContact CD1-CD1 4.27Å; L91-L138 HydrophobicContact CD2-CD2 4.44Å; L91-A146 HydrophobicContact CD2-CB 3.99Å; L91-I148 HydrophobicContact CD2-CD1 4Å; L91-F181 HydrophobicContact CD1-CB 4Å; L91-F181 HydrophobicContact CD2-CD1 4.08Å; L91-F181 HydrophobicContact CG-CD1 4.4Å
92Q98.3Very high90.5Very high25 Ų2561.8 Ų61.812%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-83.2131172.4-68.7178.8-28.900109.8L134 D135 F181 R182 H184Q92-L134 CarbonylContact C-O 3.56Å; Q92-D135 WeakPolarHBondContact CG-OD1 3.5Å; Q92-F181 CarbonylContact O-C 3.58Å; Q92-F181 WeakPolarHBondContact O-CA 3.47Å; Q92-R182 HydrophobicContact CB-CB 4.35Å; Q92-R182 WeakPolarHBondContact CB-O 3.32Å; Q92-R182 PolarHBondContact N-O 3.09Å; Q92-R182 PolarHBondContact O-N 2.87Å; Q92-H184 PolarHBondContact OE1-CE1 3.1Å; Q92-H184 VanDerWaalsContact OE1-CE1 3.28Å
93V98.6Very high90.4Very high0 Ų061.5 Ų61.50%030%0.301CS..EExtended strand (participates in β ladder)trans-120.4130.3176-165.40000109.9L91 I111 L133 L134 I136 V180 F181L91-V93 HydrophobicContact CG-CG2 4.41Å; V93-I111 HydrophobicContact CG1-CD1 4.03Å; V93-L133 WeakPolarHBondContact O-CA 3.47Å; V93-L134 HydrophobicContact CB-CB 4.28Å; V93-L134 PolarHBondContact N-O 3.01Å; V93-L134 PolarHBondContact O-N 2.85Å; V93-I136 HydrophobicContact CG2-CD1 3.79Å; V93-I136 HydrophobicContact CG2-CG1 4.45Å; V93-V180 WeakPolarHBondContact CA-O 3.48Å; V93-F181 HydrophobicContact CB-CD1 4.37Å; V93-F181 HydrophobicContact CB-CE1 4.44Å; V93-F181 HydrophobicContact CG1-CD1 3.96Å; V93-F181 HydrophobicContact CG1-CE1 3.69Å; V93-F181 HydrophobicContact CG1-CZ 4.45Å; V93-F181 HydrophobicContact CG2-CD1 3.75Å; V93-F181 HydrophobicContact CG2-CE1 3.91Å
94F98.4Very high90.4Very high0 Ų065.9 Ų65.90%032%0.318CS..EExtended strand (participates in β ladder)trans-142165172.166.6-85.7000111.9L32 P105 T131 L133 V180L32-F94 HydrophobicContact CB-CZ 4.37Å; L32-F94 HydrophobicContact CD2-CD1 4.24Å; L32-F94 HydrophobicContact CD2-CE1 3.99Å; L32-F94 HydrophobicContact CD2-CZ 4.39Å; F94-P105 HydrophobicContact CE2-CG 4.27Å; F94-T131 HydrophobicContact CB-CG2 4.29Å; F94-L133 HydrophobicContact CB-CD2 3.57Å; F94-L133 HydrophobicContact CD1-CD2 4.03Å; F94-L133 HydrophobicContact CG-CD2 4.05Å; F94-V180 HydrophobicContact CD1-CB 4.02Å; F94-V180 HydrophobicContact CD1-CG1 4.3Å; F94-V180 HydrophobicContact CD2-CB 4.1Å; F94-V180 HydrophobicContact CD2-CG2 4.34Å; F94-V180 HydrophobicContact CE1-CB 3.68Å; F94-V180 HydrophobicContact CE1-CG1 3.49Å; F94-V180 VanDerWaalsContact CE1-CG1 3.49Å; F94-V180 HydrophobicContact CE2-CB 3.76Å; F94-V180 HydrophobicContact CE2-CG1 4.03Å; F94-V180 HydrophobicContact CE2-CG2 3.9Å; F94-V180 HydrophobicContact CG-CB 4.23Å; F94-V180 HydrophobicContact CZ-CB 3.55Å; F94-V180 HydrophobicContact CZ-CG1 3.34Å; F94-V180 HydrophobicContact CZ-CG2 4.09Å; F94-V180 PolarHBondContact N-O 2.82Å; F94-V180 PolarHBondContact O-N 2.9Å
95V98.2Very high90.7Very high2 Ų260.7 Ų60.71%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-91.3119.2176.9-178.30000108.9H106 I111 I153 V177 L179V95-H106 HydrophobicContact CG1-CB 4.02Å; V95-H106 PolarHBondContact O-N 3.28Å; V95-I111 HydrophobicContact CG2-CB 4.19Å; V95-I111 HydrophobicContact CG2-CD1 3.97Å; V95-I153 HydrophobicContact CG2-CG2 4.43Å; V95-V177 HydrophobicContact CG1-CB 3.56Å; V95-V177 HydrophobicContact CG1-CG1 3.82Å; V95-V177 HydrophobicContact CG1-CG2 3.8Å; V95-L179 HydrophobicContact CG2-CD2 4.35Å
96G96Very high91.1Very high0 Ų058 Ų580%027%0.274CS..EExtended strand (participates in β ladder)trans-108.1167.9179.400000113.7R104 V177 R178G96-R104 CarbonylContact C-O 3.55Å; G96-R104 WeakPolarHBondContact CA-O 3.45Å; G96-V177 WeakPolarHBondContact O-CA 3.25Å; G96-R178 PolarHBondContact N-O 3.46Å; G96-R178 PolarHBondContact O-N 3.45Å
97T93.5Very high91.3Very high14 Ų1448 Ų489%0.08624%0.239CC..EExtended strand (participates in β ladder)trans-60.1149.7168.851.50000111.2D99 S102 R104T97-D99 VanDerWaalsContact C-N 3.3Å; T97-S102 PolarHBondContact OG1-O 2.63Å; T97-R104 HydrophobicContact CG2-CB 4.37Å; T97-R104 PolarHBondContact N-O 2.97Å; T97-R104 PolarHBondContact OG1-N 3Å; T97-R104 PolarHBondContact OG1-O 3.11Å
98A89.8Confident91.3Very high18 Ų1841.8 Ų41.815%0.14921%0.212CC..SBendtrans-83.3-1.4176.600000114.8D100 R176 R178 P206A98-D100 PolarHBondContact O-N 2.9Å; A98-R176 HydrophobicContact CB-CB 3.78Å; A98-R176 WeakPolarHBondContact CB-O 3.39Å; A98-R178 PolarHBondContact O-NE 3.19Å; A98-R178 PolarHBondContact O-NH2 3.03Å; A98-R178 VanDerWaalsContact O-NH2 3.14Å; A98-P206 HydrophobicContact CB-CB 4.27Å
99D80.4Confident91.4Very high68 Ų6838.3 Ų38.336%0.36419%0.189SC..  trans-69.2121.2178.2175.617.4000111.5T97 R101 S102T97-D99 VanDerWaalsContact C-N 3.3Å; D99-R101 VanDerWaalsContact C-N 3.26Å; D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 PolarHBondContact OD1-N 3.34Å; D99-S102 PolarHBondContact OD2-OG 2.85Å
100D69.7Low91.5Very high125 Ų12538.4 Ų38.467%0.66819%0.188SC*.THydrogen-bonded Turntrans-64.3-26.9179.5-75.7-56.2000113.6A98 R178A98-D100 PolarHBondContact O-N 2.9Å; D100-R178 IonicContact OD1-CZ 2.78Å; D100-R178 IonicContact OD1-NH1 3.14Å; D100-R178 PolarHBondContact OD1-NH1 3.19Å; D100-R178 IonicContact OD1-NH2 3.81Å; D100-R178 PolarHBondContact OD1-NH2 3.07Å; D100-R178 IonicContact OD2-NH2 3.37Å; D100-R178 PolarHBondContact OD2-NH2 2.77Å
101R75.1Confident91.6Very high238 Ų23836.1 Ų36.190%0.89817%0.173SC*.THydrogen-bonded Turntrans-84.2-25-174.8-61.3-176.1-174.9-172.22.2112.7D99D99-R101 VanDerWaalsContact C-N 3.26Å; D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 PolarHBondContact OD1-N 3.34Å
102S81.6Confident91.5Very high36 Ų3638.2 Ų38.225%0.25218%0.182SC..  trans-152.988.7-171.166.30000112.5T97 D99 R104T97-S102 PolarHBondContact OG1-O 2.63Å; D99-S102 PolarHBondContact OD2-OG 2.85Å; S102-R104 PolarHBondContact O-N 3.17Å; S102-R104 PolarHBondContact OG-NH1 3.15Å
103I90Very high91.5Very high29 Ų2941.8 Ų41.815%0.14919%0.194CC..  trans-70.9115.9173-60.9-63.1000109.1V180 A203I103-V180 HydrophobicContact CG2-CB 4.47Å; I103-V180 HydrophobicContact CG2-CG1 4.08Å; I103-V180 HydrophobicContact CG2-CG2 3.55Å; I103-A203 HydrophobicContact CD1-CB 4Å; I103-A203 HydrophobicContact CG1-CB 4.24Å
104R92.5Very high91.4Very high112 Ų11242.3 Ų42.342%0.42320%0.198SC..  trans-130.9158173.6-61.9-169-68.4-75.3-8.4109.8D33 G96 T97 S102 H106D33-R104 HydrophobicContact CB-CB 4.3Å; D33-R104 HydrophobicContact CB-CG 3.83Å; G96-R104 CarbonylContact C-O 3.55Å; G96-R104 WeakPolarHBondContact CA-O 3.45Å; T97-R104 HydrophobicContact CG2-CB 4.37Å; T97-R104 PolarHBondContact N-O 2.97Å; T97-R104 PolarHBondContact OG1-N 3Å; T97-R104 PolarHBondContact OG1-O 3.11Å; S102-R104 PolarHBondContact O-N 3.17Å; S102-R104 PolarHBondContact OG-NH1 3.15Å; R104-H106 PolarHBondContact O-N 3Å
105P94.5Very high91.1Very high27 Ų2746.7 Ų46.718%0.17523%0.225CC..BIsolated β-bridgetrans-49.7132.6168.3-29.537.4000112L32 F94 T131L32-P105 HydrophobicContact CB-CG 3.57Å; L32-P105 HydrophobicContact CD1-CG 4Å; L32-P105 HydrophobicContact CG-CG 4.46Å; F94-P105 HydrophobicContact CE2-CG 4.27Å; P105-T131 HydrophobicContact CB-CG2 3.83Å; P105-T131 WeakPolarHBondContact CB-OG1 3.41Å; P105-T131 HydrophobicContact CG-CG2 4.28Å
106H93.4Very high90.6Very high10 Ų1049 Ų495%0.04625%0.249CC..  trans-73.7130.4179.6-161.4-63.9000109.9V95 R104 F108 Y109V95-H106 HydrophobicContact CG1-CB 4.02Å; V95-H106 PolarHBondContact O-N 3.28Å; R104-H106 PolarHBondContact O-N 3Å; H106-F108 PolarHBondContact ND1-N 3.25Å; H106-Y109 AromaticContact CE1-CD2 3.42Å; H106-Y109 VanDerWaalsContact CE1-CD2 3.42Å; H106-Y109 WeakPolarHBondContact CE1-CD2 3.26Å; H106-Y109 AromaticContact CE1-CE2 3.86Å; H106-Y109 AromaticContact CG-CD2 3.89Å; H106-Y109 AromaticContact ND1-CD2 3.45Å; H106-Y109 WeakPolarHBondContact ND1-CD2 2.97Å; H106-Y109 PolarHBondContact ND1-N 2.98Å; H106-Y109 AromaticContact NE2-CD2 3.8Å
107P90.7Very high90Very high20 Ų2059.6 Ų59.613%0.1330%0.295CS..SBendtrans-72.1-37.7-177.122.8-33000114.9I161 E167P107-I161 WeakPolarHBondContact O-CD1 3.37Å; P107-E167 HydrophobicContact CB-CG 4.29Å; P107-E167 WeakPolarHBondContact CB-OE1 3.47Å; P107-E167 WeakPolarHBondContact CB-OE2 3.46Å; P107-E167 HydrophobicContact CG-CG 4.47Å; P107-E167 WeakPolarHBondContact CG-OE1 3.38Å
108F92.4Very high89.6Confident4 Ų467.6 Ų67.62%0.01833%0.333CS..SBendtrans-91.9-7.4-178.3-66-86.5000115.2H106 L156 I161 G171H106-F108 PolarHBondContact ND1-N 3.25Å; F108-L156 PolarHBondContact O-N 2.8Å; F108-I161 HydrophobicContact CD1-CB 4.37Å; F108-I161 HydrophobicContact CD1-CG1 3.81Å; F108-I161 HydrophobicContact CD1-CG2 4.47Å; F108-I161 HydrophobicContact CE1-CB 3.97Å; F108-I161 HydrophobicContact CE1-CG1 3.94Å; F108-I161 HydrophobicContact CE1-CG2 3.94Å; F108-I161 HydrophobicContact CE2-CG2 4.48Å; F108-I161 HydrophobicContact CZ-CB 4.46Å; F108-I161 HydrophobicContact CZ-CG2 3.92Å; F108-G171 WeakPolarHBondContact CD2-O 3.38Å
109Y95.8Very high89.8Confident10 Ų1068.4 Ų68.44%0.03934%0.337CS..EExtended strand (participates in β ladder)trans-132.3140.7-177.4-64.7-86.2000110.9A57 H106 I153 L154 K155 V177 C209A57-Y109 HydrophobicContact CB-CD1 3.99Å; A57-Y109 HydrophobicContact CB-CE1 3.77Å; H106-Y109 AromaticContact CE1-CD2 3.42Å; H106-Y109 VanDerWaalsContact CE1-CD2 3.42Å; H106-Y109 WeakPolarHBondContact CE1-CD2 3.26Å; H106-Y109 AromaticContact CE1-CE2 3.86Å; H106-Y109 AromaticContact CG-CD2 3.89Å; H106-Y109 AromaticContact ND1-CD2 3.45Å; H106-Y109 WeakPolarHBondContact ND1-CD2 2.97Å; H106-Y109 PolarHBondContact ND1-N 2.98Å; H106-Y109 AromaticContact NE2-CD2 3.8Å; Y109-I153 HydrophobicContact CD1-CG2 3.83Å; Y109-I153 HydrophobicContact CG-CG2 4.37Å; Y109-L154 CarbonylContact C-O 3.58Å; Y109-L154 WeakPolarHBondContact CA-O 3.11Å; Y109-K155 HydrophobicContact CD1-CB 4.1Å; Y109-K155 HydrophobicContact CD1-CD 3.89Å; Y109-K155 HydrophobicContact CE1-CB 3.9Å; Y109-K155 HydrophobicContact CE1-CD 3.33Å; Y109-K155 HydrophobicContact CE1-CG 4.16Å; Y109-K155 HydrophobicContact CE2-CD 4.12Å; Y109-K155 HydrophobicContact CG-CD 4.5Å; Y109-K155 VanDerWaalsContact CZ-CD 3.44Å; Y109-V177 HydrophobicContact CD1-CG1 4.5Å; Y109-V177 HydrophobicContact CD2-CG1 3.43Å; Y109-V177 VanDerWaalsContact CD2-CG1 3.43Å; Y109-V177 HydrophobicContact CE2-CG1 3.99Å; Y109-V177 HydrophobicContact CG-CG1 3.76Å; Y109-C209 HydrophobicContact CD1-CB 4.26Å; Y109-C209 HydrophobicContact CE1-CB 3.54Å
110Q97.2Very high90.3Very high21 Ų2168.7 Ų68.710%0.09836%0.355CS..EExtended strand (participates in β ladder)trans-126.8158175.8-71.2-170.1-9.400111.1G130 K132 L154 L156Q110-G130 PolarHBondContact NE2-O 2.87Å; Q110-G130 VanDerWaalsContact NE2-O 3.1Å; Q110-K132 HydrophobicContact CB-CB 4.4Å; Q110-K132 HydrophobicContact CB-CD 4.35Å; Q110-K132 VanDerWaalsContact OE1-CE 3.31Å; Q110-K132 VanDerWaalsContact OE1-CG 3.25Å; Q110-L154 HydrophobicContact CB-CB 4.48Å; Q110-L154 PolarHBondContact N-O 3.39Å; Q110-L154 PolarHBondContact O-N 2.85Å; Q110-L156 HydrophobicContact CG-CD1 3.83Å; Q110-L156 HydrophobicContact CG-CD2 4.43Å; Q110-L156 HydrophobicContact CG-CG 4.28Å
111I98.4Very high91.5Very high0 Ų064.1 Ų64.10%033%0.332CS..EExtended strand (participates in β ladder)trans-67.3141.8168.8-156.969.4000108.5V93 V95 K132 L134 A151 L179V93-I111 HydrophobicContact CG1-CD1 4.03Å; V95-I111 HydrophobicContact CG2-CB 4.19Å; V95-I111 HydrophobicContact CG2-CD1 3.97Å; I111-K132 HydrophobicContact CG2-CB 3.76Å; I111-K132 VanDerWaalsContact CG2-O 3.24Å; I111-K132 WeakPolarHBondContact CG2-O 3.19Å; I111-L134 HydrophobicContact CG1-CB 3.99Å; I111-L134 HydrophobicContact CG1-CD2 4.5Å; I111-L134 HydrophobicContact CG2-CB 4.21Å; I111-A151 HydrophobicContact CD1-CB 4Å; I111-L179 HydrophobicContact CD1-CD2 3.91Å
112H97.8Very high92.4Very high43 Ų4356.2 Ų56.220%0.19932%0.317CS..EExtended strand (participates in β ladder)trans-121126174.2172.877.4000109.3H58 S64 V114 G152 L154H58-H112 AromaticContact CE1-CD2 3.45Å; H58-H112 PolarHBondContact CE1-CD2 3.36Å; H58-H112 VanDerWaalsContact CE1-CD2 3.45Å; H58-H112 AromaticContact CE1-CG 3.44Å; H58-H112 VanDerWaalsContact CE1-CG 3.44Å; H58-H112 AromaticContact CE1-ND1 3.92Å; H58-H112 AromaticContact CE1-NE2 3.93Å; H58-H112 AromaticContact NE2-CD2 3.71Å; H58-H112 AromaticContact NE2-CE1 3.69Å; H58-H112 AromaticContact NE2-CG 3.65Å; H58-H112 AromaticContact NE2-ND1 3.65Å; H58-H112 AromaticContact NE2-NE2 3.72Å; S64-H112 PolarHBondContact OG-CD2 3.12Å; S64-H112 PolarHBondContact OG-NE2 2.98Å; H112-V114 PolarHBondContact O-N 2.86Å; H112-G152 PolarHBondContact N-O 3.07Å; H112-G152 PolarHBondContact O-N 3.05Å; H112-L154 HydrophobicContact CB-CB 4.23Å
113R97.5Very high93.2Very high100 Ų10055.3 Ų55.338%0.37731%0.311SS..EExtended strand (participates in β ladder)trans-71.6115173.9-178.3169.7175.9-94.11.5110.7T115 S123 E125 L134R113-T115 HydrophobicContact CG-CG2 4.32Å; R113-S123 PolarHBondContact NE-O 3.36Å; R113-S123 PolarHBondContact NE-OG 2.83Å; R113-S123 PolarHBondContact NH2-O 2.83Å; R113-E125 HydrophobicContact CB-CB 4.38Å; R113-L134 HydrophobicContact CB-CD1 3.71Å; R113-L134 HydrophobicContact CG-CD1 3.73Å
114V96.7Very high93.5Very high12 Ų1259.7 Ų59.77%0.07333%0.331CS..  trans-90.9131.4174.7-176.70000109.1A67 H112 V119 C150A67-V114 HydrophobicContact CB-CB 4.43Å; A67-V114 HydrophobicContact CB-CG2 4.19Å; H112-V114 PolarHBondContact O-N 2.86Å; V114-V119 HydrophobicContact CG1-CG2 4.01Å; V114-C150 PolarHBondContact N-O 2.98Å
115T92.1Very high93.7Very high92 Ų9257.5 Ų57.556%0.56433%0.325SS*.  trans-125.3158.2174.861.10000110.2R113R113-T115 HydrophobicContact CG-CG2 4.32Å
116G87.3Confident93.8Very high50 Ų5057.9 Ų57.952%0.51533%0.328SS..SBendtrans152.3172174.700000112.6M118 V119G116-M118 PolarHBondContact O-N 3.34Å; G116-M118 VanDerWaalsContact O-N 3.15Å; G116-V119 PolarHBondContact O-N 3.26Å
117K83.1Confident93.9Very high223 Ų22362 Ų6297%0.9735%0.354SS*.THydrogen-bonded Turntrans-60.8-24.6-176.7-66.3-175.4179-178.30114.3
118M85.9Confident94Very high181 Ų18164.2 Ų64.289%0.89236%0.363SS*.THydrogen-bonded Turntrans-95.21.4179.8-58.6-166.2-60.900113.4G116G116-M118 PolarHBondContact O-N 3.34Å; G116-M118 VanDerWaalsContact O-N 3.15Å
119V93.4Very high93.9Very high36 Ų3668.5 Ų68.522%0.21840%0.399CS..  trans-97.4111176.1-178.70000107.7V114 G116 C150V114-V119 HydrophobicContact CG1-CG2 4.01Å; G116-V119 PolarHBondContact O-N 3.26Å; V119-C150 HydrophobicContact CG1-CB 3.58Å
120G91.4Very high93.6Very high73 Ų7369.8 Ų69.875%0.75342%0.415SS*.  trans-89-23.4-179.100000113.3D149G120-D149 PolarHBondContact N-OD2 2.78Å
121T95.1Very high93.5Very high30 Ų3069.4 Ų69.418%0.18441%0.414CS..SBendtrans-86.6119.2-173.6-48.40000111.3I136 L147 D149T121-I136 HydrophobicContact CG2-CG2 3.56Å; T121-L147 PolarHBondContact OG1-O 3.47Å; T121-D149 WeakPolarHBondContact CB-OD1 3.41Å; T121-D149 PolarHBondContact N-OD1 3.32Å; T121-D149 PolarHBondContact OG1-OD1 2.82Å
122A94.8Very high93.5Very high71 Ų7171.5 Ų71.559%0.58742%0.423SS*.  trans-61.8137.5170.500000110.4P137A122-P137 WeakPolarHBondContact O-CD 3.26Å
123S96.9Very high93.5Very high18 Ų1869.5 Ų69.513%0.12641%0.414CS..  trans-153155.2179.564.90000112R113 D135R113-S123 PolarHBondContact NE-O 3.36Å; R113-S123 PolarHBondContact NE-OG 2.83Å; R113-S123 PolarHBondContact NH2-O 2.83Å; S123-D135 VanDerWaalsContact CA-O 3.26Å; S123-D135 WeakPolarHBondContact CA-O 3.4Å
124H96.8Very high93.5Very high121 Ų12164.8 Ų64.856%0.5640%0.396SS*.EExtended strand (participates in β ladder)trans-130.4136.8178.5175.8-90000110.3D135H124-D135 HydrophobicContact CB-CB 4.44Å; H124-D135 PolarHBondContact N-O 2.87Å; H124-D135 PolarHBondContact O-N 2.82Å
125E97.3Very high93.6Very high65 Ų6565.7 Ų65.730%0.30440%0.401SS..EExtended strand (participates in β ladder)trans-94.8131.2176.8-176178.1113.100109.8R113 K132 L133R113-E125 HydrophobicContact CB-CB 4.38Å; E125-K132 WeakPolarHBondContact OE1-CD 3.36Å; E125-K132 WeakPolarHBondContact OE1-CE 3.35Å; E125-K132 IonicContact OE1-NZ 3.17Å; E125-K132 PolarHBondContact OE1-NZ 3.44Å; E125-K132 IonicContact OE2-NZ 3.78Å; E125-L133 WeakPolarHBondContact CA-O 3.33Å
126S96.2Very high93.9Very high35 Ų3561.4 Ų61.425%0.24537%0.374CS..EExtended strand (participates in β ladder)trans-130.9167.6173.463.10000110.6K132 L133 D135S126-K132 CarbonylContact O-C 3.5Å; S126-K132 WeakPolarHBondContact O-CA 3.46Å; S126-L133 PolarHBondContact N-O 2.98Å; S126-L133 PolarHBondContact O-N 2.86Å; S126-D135 PolarHBondContact OG-OD2 3.07Å
127V95.5Very high94.4Very high97 Ų9761.3 Ų61.359%0.58837%0.365SS*.EExtended strand (participates in β ladder)trans-126.7125.7179-1790000109.7T131 K132V127-T131 WeakPolarHBondContact CA-O 3.47Å; V127-K132 HydrophobicContact CG2-CG 4.16Å
128Q93.1Very high95Very high67 Ų6750.7 Ų50.731%0.31332%0.319SS..EExtended strand (participates in β ladder)trans-124.4121.2175-175.2178.5-5.400109.6L32 G130 T131 L133L32-Q128 HydrophobicContact CD1-CB 4.38Å; Q128-G130 PolarHBondContact O-N 3.02Å; Q128-G130 VanDerWaalsContact O-N 3.14Å; Q128-T131 PolarHBondContact N-O 2.9Å; Q128-T131 WeakPolarHBondContact O-CB 3.47Å; Q128-T131 PolarHBondContact O-N 2.86Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; Q128-L133 HydrophobicContact CB-CG 4.33Å
129A89.4Confident95.5Very high94 Ų9444.4 Ų44.478%0.77729%0.289SS*.THydrogen-bonded Turntrans48.940.3-179.300000113.7T131A129-T131 PolarHBondContact O-N 2.98Å
130G90.6Very high95.6Very high36 Ų3644 Ų4437%0.37129%0.287SS..THydrogen-bonded Turntrans75.24.4-178.700000115.5Q110 Q128Q110-G130 PolarHBondContact NE2-O 2.87Å; Q110-G130 VanDerWaalsContact NE2-O 3.1Å; Q128-G130 PolarHBondContact O-N 3.02Å; Q128-G130 VanDerWaalsContact O-N 3.14Å
131T95Very high95.7Very high14 Ų1447.9 Ų47.99%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-100.3127.4172.9-55.30000109.2L32 F94 P105 V127 Q128 A129 L133L32-T131 HydrophobicContact CD1-CG2 3.96Å; F94-T131 HydrophobicContact CB-CG2 4.29Å; P105-T131 HydrophobicContact CB-CG2 3.83Å; P105-T131 WeakPolarHBondContact CB-OG1 3.41Å; P105-T131 HydrophobicContact CG-CG2 4.28Å; V127-T131 WeakPolarHBondContact CA-O 3.47Å; Q128-T131 PolarHBondContact N-O 2.9Å; Q128-T131 WeakPolarHBondContact O-CB 3.47Å; Q128-T131 PolarHBondContact O-N 2.86Å; A129-T131 PolarHBondContact O-N 2.98Å; T131-L133 HydrophobicContact CG2-CD2 4.5Å
132K97.4Very high95.7Very high43 Ų4349.6 Ų49.619%0.18729%0.294CS..EExtended strand (participates in β ladder)trans-71.2135171.3-71.6-177.8179.3-1420110.3Q110 I111 E125 S126 V127Q110-K132 HydrophobicContact CB-CB 4.4Å; Q110-K132 HydrophobicContact CB-CD 4.35Å; Q110-K132 VanDerWaalsContact OE1-CE 3.31Å; Q110-K132 VanDerWaalsContact OE1-CG 3.25Å; I111-K132 HydrophobicContact CG2-CB 3.76Å; I111-K132 VanDerWaalsContact CG2-O 3.24Å; I111-K132 WeakPolarHBondContact CG2-O 3.19Å; E125-K132 WeakPolarHBondContact OE1-CD 3.36Å; E125-K132 WeakPolarHBondContact OE1-CE 3.35Å; E125-K132 IonicContact OE1-NZ 3.17Å; E125-K132 PolarHBondContact OE1-NZ 3.44Å; E125-K132 IonicContact OE2-NZ 3.78Å; S126-K132 CarbonylContact O-C 3.5Å; S126-K132 WeakPolarHBondContact O-CA 3.46Å; V127-K132 HydrophobicContact CG2-CG 4.16Å
133L98Very high95.7Very high2 Ų252.1 Ų52.11%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-116.3143.6172.6-56.8-177.6000108.7L32 V93 F94 E125 S126 Q128 T131L32-L133 HydrophobicContact CD1-CD2 3.89Å; L32-L133 HydrophobicContact CD2-CD2 4.06Å; V93-L133 WeakPolarHBondContact O-CA 3.47Å; F94-L133 HydrophobicContact CB-CD2 3.57Å; F94-L133 HydrophobicContact CD1-CD2 4.03Å; F94-L133 HydrophobicContact CG-CD2 4.05Å; E125-L133 WeakPolarHBondContact CA-O 3.33Å; S126-L133 PolarHBondContact N-O 2.98Å; S126-L133 PolarHBondContact O-N 2.86Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; Q128-L133 HydrophobicContact CB-CG 4.33Å; T131-L133 HydrophobicContact CG2-CD2 4.5Å
134L98.3Very high95.7Very high0 Ų051.5 Ų51.50%029%0.292CS..EExtended strand (participates in β ladder)trans-109.9116.2169.1-170.468.9000108.5Q92 V93 I111 R113 I136 C150 A151Q92-L134 CarbonylContact C-O 3.56Å; V93-L134 HydrophobicContact CB-CB 4.28Å; V93-L134 PolarHBondContact N-O 3.01Å; V93-L134 PolarHBondContact O-N 2.85Å; I111-L134 HydrophobicContact CG1-CB 3.99Å; I111-L134 HydrophobicContact CG1-CD2 4.5Å; I111-L134 HydrophobicContact CG2-CB 4.21Å; R113-L134 HydrophobicContact CB-CD1 3.71Å; R113-L134 HydrophobicContact CG-CD1 3.73Å; L134-I136 HydrophobicContact CD2-CD1 4.24Å; L134-I136 HydrophobicContact CD2-CG1 4.44Å; L134-I136 HydrophobicContact CG-CG1 4.3Å; L134-C150 WeakPolarHBondContact CD2-O 3.4Å; L134-A151 HydrophobicContact CD2-CB 3.82Å
135D98.1Very high95.8Very high32 Ų3247.2 Ų47.217%0.17127%0.274CS..EExtended strand (participates in β ladder)trans-89.7123.3176.7-69.5-73.1000109.5S90 Q92 S123 H124 S126S90-D135 PolarHBondContact OG-OD1 2.9Å; Q92-D135 WeakPolarHBondContact CG-OD1 3.5Å; S123-D135 VanDerWaalsContact CA-O 3.26Å; S123-D135 WeakPolarHBondContact CA-O 3.4Å; H124-D135 HydrophobicContact CB-CB 4.44Å; H124-D135 PolarHBondContact N-O 2.87Å; H124-D135 PolarHBondContact O-N 2.82Å; S126-D135 PolarHBondContact OG-OD2 3.07Å
136I98.3Very high95.8Very high1 Ų144.2 Ų44.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-124130-179.6-60.9174.4000108.6L91 V93 T121 L134 A146 I148 C150L91-I136 HydrophobicContact CB-CB 4.38Å; L91-I136 WeakPolarHBondContact CB-O 3.46Å; L91-I136 PolarHBondContact N-O 3.01Å; L91-I136 PolarHBondContact O-N 2.79Å; V93-I136 HydrophobicContact CG2-CD1 3.79Å; V93-I136 HydrophobicContact CG2-CG1 4.45Å; T121-I136 HydrophobicContact CG2-CG2 3.56Å; L134-I136 HydrophobicContact CD2-CD1 4.24Å; L134-I136 HydrophobicContact CD2-CG1 4.44Å; L134-I136 HydrophobicContact CG-CG1 4.3Å; I136-A146 HydrophobicContact CG2-CB 4.09Å; I136-I148 HydrophobicContact CD1-CD1 3.82Å; I136-I148 HydrophobicContact CD1-CG2 4.42Å; I136-C150 VanDerWaalsContact CD1-SG 3.59Å
137P97.1Very high95.9Very high49 Ų4946.2 Ų46.232%0.31827%0.268SS..EExtended strand (participates in β ladder)trans-69.2134.5178.928.5-33.2000111.7A122A122-P137 WeakPolarHBondContact O-CD 3.26Å
138L96.8Very high96Very high0 Ų041.6 Ų41.60%024%0.24CC..EExtended strand (participates in β ladder)trans-103.2117.5165-71.1171000108.6L80 P88 L89 L91 M144 A146L80-L138 HydrophobicContact CB-CD1 4.43Å; P88-L138 CarbonylContact C-O 3.59Å; P88-L138 VanDerWaalsContact CA-O 3.3Å; P88-L138 WeakPolarHBondContact CA-O 3.33Å; L89-L138 HydrophobicContact CB-CB 4.31Å; L89-L138 PolarHBondContact N-O 2.9Å; L89-L138 PolarHBondContact O-N 2.84Å; L91-L138 HydrophobicContact CB-CD1 3.88Å; L91-L138 HydrophobicContact CB-CD2 4.42Å; L91-L138 HydrophobicContact CB-CG 3.86Å; L91-L138 HydrophobicContact CD1-CD1 4.27Å; L91-L138 HydrophobicContact CD2-CD2 4.44Å; L138-M144 HydrophobicContact CB-CE 3.64Å; L138-M144 HydrophobicContact CB-SD 4.39Å; L138-A146 HydrophobicContact CD2-CB 3.7Å
139N96.4Very high96.2Very high49 Ų4938.9 Ų38.926%0.26223%0.228SC..  trans-111.7133.4-170.2-69.8-43.6000110.6E141 N142 M144N139-E141 WeakPolarHBondContact CB-OE2 3.48Å; N139-E141 PolarHBondContact O-N 2.81Å; N139-N142 PolarHBondContact O-N 3.05Å; N139-N142 VanDerWaalsContact O-N 3.12Å; N139-N142 PolarHBondContact O-OD1 3.04Å; N139-M144 PolarHBondContact O-N 3.43Å
140P94.4Very high96.6Very high28 Ų2834.4 Ų34.418%0.18219%0.191CC..G310 helixtrans-58-30.8175.4-24.633.4000112.8N142 N143 M144P140-N142 PolarHBondContact O-N 3.26Å; P140-N143 PolarHBondContact O-N 3.15Å; P140-M144 HydrophobicContact CB-SD 4.37Å; P140-M144 HydrophobicContact CG-SD 3.96Å; P140-M144 VanDerWaalsContact N-SD 3.42Å
141E94.4Very high97Very high154 Ų15432.7 Ų32.772%0.7217%0.174SC*.G310 helixtrans-63.4-25.2179.5-60.574.6-161.400112.9N139N139-E141 WeakPolarHBondContact CB-OE2 3.48Å; N139-E141 PolarHBondContact O-N 2.81Å
142N94.2Very high97.1Very high66 Ų6632 Ų3235%0.35317%0.169SC..G310 helixtrans-106.424.7175.974.313.7000112.5N139 P140 M144 T145N139-N142 PolarHBondContact O-N 3.05Å; N139-N142 VanDerWaalsContact O-N 3.12Å; N139-N142 PolarHBondContact O-OD1 3.04Å; P140-N142 PolarHBondContact O-N 3.26Å; N142-M144 VanDerWaalsContact C-N 3.26Å; N142-M144 PolarHBondContact O-N 2.98Å; N142-M144 PolarHBondContact OD1-N 3.34Å; N142-T145 PolarHBondContact ND2-O 3.14Å; N142-T145 VanDerWaalsContact O-CB 3.29Å; N142-T145 WeakPolarHBondContact O-CB 3.45Å; N142-T145 PolarHBondContact O-N 3.06Å; N142-T145 PolarHBondContact O-OG1 3Å; N142-T145 PolarHBondContact OD1-N 2.86Å; N142-T145 PolarHBondContact OD1-O 2.84Å; N142-T145 VanDerWaalsContact OD1-O 3.1Å
143N95.6Very high97.2Very high123 Ų12330 Ų3066%0.65816%0.161SC*.THydrogen-bonded Turntrans55.340.4-176.8-59.4-46.9000112.6P140 T145P140-N143 PolarHBondContact O-N 3.15Å; N143-T145 PolarHBondContact O-N 2.61Å; N143-T145 VanDerWaalsContact O-N 3.16Å; N143-T145 PolarHBondContact O-OG1 3.34Å
144M97.3Very high97.1Very high6 Ų630.3 Ų30.33%0.0316%0.162CC..THydrogen-bonded Turntrans51.440.9179.9-57-59.8-72.700112.6K79 L80 Y83 L89 L138 N139 P140 N142K79-M144 WeakPolarHBondContact CA-O 3.3Å; L80-M144 HydrophobicContact CB-CB 4.08Å; L80-M144 HydrophobicContact CD2-CE 4.06Å; L80-M144 PolarHBondContact N-O 3.08Å; L80-M144 WeakPolarHBondContact O-CB 3.49Å; Y83-M144 HydrophobicContact CD1-CE 3.58Å; Y83-M144 HydrophobicContact CD1-CG 4.07Å; Y83-M144 HydrophobicContact CD1-SD 3.93Å; Y83-M144 HydrophobicContact CE1-CE 3.89Å; Y83-M144 HydrophobicContact CE1-SD 4.33Å; Y83-M144 HydrophobicContact CG-CE 4.39Å; L89-M144 HydrophobicContact CB-CE 3.96Å; L89-M144 HydrophobicContact CD1-CE 3.64Å; L89-M144 HydrophobicContact CG-CE 3.75Å; L138-M144 HydrophobicContact CB-CE 3.64Å; L138-M144 HydrophobicContact CB-SD 4.39Å; N139-M144 PolarHBondContact O-N 3.43Å; P140-M144 HydrophobicContact CB-SD 4.37Å; P140-M144 HydrophobicContact CG-SD 3.96Å; P140-M144 VanDerWaalsContact N-SD 3.42Å; N142-M144 VanDerWaalsContact C-N 3.26Å; N142-M144 PolarHBondContact O-N 2.98Å; N142-M144 PolarHBondContact OD1-N 3.34Å
145T98Very high97Very high30 Ų3031.3 Ų31.318%0.18417%0.166CC..EExtended strand (participates in β ladder)trans-117.2127.3-176.4-55.90000109.7V77 V78 K79 N142 N143V77-T145 HydrophobicContact CG1-CG2 3.43Å; V77-T145 VanDerWaalsContact CG1-CG2 3.43Å; V78-T145 CarbonylContact O-C 3.53Å; V78-T145 WeakPolarHBondContact O-CA 3.14Å; K79-T145 HydrophobicContact CB-CG2 4.49Å; K79-T145 WeakPolarHBondContact CG-OG1 3.24Å; N142-T145 PolarHBondContact ND2-O 3.14Å; N142-T145 VanDerWaalsContact O-CB 3.29Å; N142-T145 WeakPolarHBondContact O-CB 3.45Å; N142-T145 PolarHBondContact O-N 3.06Å; N142-T145 PolarHBondContact O-OG1 3Å; N142-T145 PolarHBondContact OD1-N 2.86Å; N142-T145 PolarHBondContact OD1-O 2.84Å; N142-T145 VanDerWaalsContact OD1-O 3.1Å; N143-T145 PolarHBondContact O-N 2.61Å; N143-T145 VanDerWaalsContact O-N 3.16Å; N143-T145 PolarHBondContact O-OG1 3.34Å
146A97.9Very high96.7Very high2 Ų230.6 Ų30.62%0.01716%0.163CC..EExtended strand (participates in β ladder)trans-113.3128.8177.800000111.2V77 V78 L91 I136 L138 I148V77-A146 WeakPolarHBondContact CA-O 3.17Å; V78-A146 PolarHBondContact N-O 2.9Å; V78-A146 PolarHBondContact O-N 2.9Å; L91-A146 HydrophobicContact CD2-CB 3.99Å; I136-A146 HydrophobicContact CG2-CB 4.09Å; L138-A146 HydrophobicContact CD2-CB 3.7Å; A146-I148 HydrophobicContact CB-CD1 3.93Å
147L97.6Very high96.3Very high77 Ų7736.8 Ų36.840%0.40319%0.186SC..EExtended strand (participates in β ladder)trans-85.3124.7166.1-175.372.2000108.8H75 V77 T121 D149H75-L147 HydrophobicContact CB-CD1 3.83Å; H75-L147 HydrophobicContact CB-CG 4.15Å; V77-L147 HydrophobicContact CG2-CD1 3.81Å; T121-L147 PolarHBondContact OG1-O 3.47Å; L147-D149 VanDerWaalsContact C-N 3.35Å; L147-D149 HydrophobicContact CD2-CB 4.34Å; L147-D149 HydrophobicContact CG-CB 4.42Å; L147-D149 PolarHBondContact O-N 3.31Å
148I98.2Very high95.7Very high0 Ų036 Ų360%018%0.179CC..  trans-95.664.6-173.2-45.4-58.6000110.1P76 V78 L91 I136 A146 A151 F181P76-I148 HydrophobicContact CB-CB 4.21Å; P76-I148 HydrophobicContact CB-CG1 4.36Å; P76-I148 WeakPolarHBondContact O-CG1 3.41Å; P76-I148 PolarHBondContact O-N 2.74Å; V78-I148 HydrophobicContact CG2-CD1 4.36Å; V78-I148 HydrophobicContact CG2-CG1 4.14Å; L91-I148 HydrophobicContact CD2-CD1 4Å; I136-I148 HydrophobicContact CD1-CD1 3.82Å; I136-I148 HydrophobicContact CD1-CG2 4.42Å; A146-I148 HydrophobicContact CB-CD1 3.93Å; I148-A151 HydrophobicContact CG2-CB 3.6Å; I148-F181 HydrophobicContact CD1-CE1 4.08Å; I148-F181 HydrophobicContact CG1-CE1 3.92Å; I148-F181 HydrophobicContact CG1-CZ 4.35Å; I148-F181 HydrophobicContact CG2-CE1 4.35Å
149D97.7Very high95Very high11 Ų1138.8 Ų38.86%0.05920%0.199CC..  trans-93.1-2.1179.372.6-17.7000114.2A67 H75 G120 T121 L147A67-D149 VanDerWaalsContact CB-C 3.46Å; A67-D149 WeakPolarHBondContact CB-O 3.02Å; H75-D149 HydrophobicContact CB-CB 4.34Å; G120-D149 PolarHBondContact N-OD2 2.78Å; T121-D149 WeakPolarHBondContact CB-OD1 3.41Å; T121-D149 PolarHBondContact N-OD1 3.32Å; T121-D149 PolarHBondContact OG1-OD1 2.82Å; L147-D149 VanDerWaalsContact C-N 3.35Å; L147-D149 HydrophobicContact CD2-CB 4.34Å; L147-D149 HydrophobicContact CG-CB 4.42Å; L147-D149 PolarHBondContact O-N 3.31Å
150C97.8Very high94.3Very high0 Ų038.5 Ų38.50%020%0.197CC..SBendtrans-111.57.6-175.863.80000114V114 V119 L134 I136V114-C150 PolarHBondContact N-O 2.98Å; V119-C150 HydrophobicContact CG1-CB 3.58Å; L134-C150 WeakPolarHBondContact CD2-O 3.4Å; I136-C150 VanDerWaalsContact CD1-SG 3.59Å
151A98.3Very high93.7Very high0 Ų037.4 Ų37.40%019%0.189CC..EExtended strand (participates in β ladder)trans-114.4115.6-176.600000112.5A67 V68 I111 L134 I148A67-A151 CarbonylContact C-O 3.4Å; A67-A151 WeakPolarHBondContact CA-O 3.34Å; A67-A151 WeakPolarHBondContact CB-O 3.36Å; V68-A151 PolarHBondContact N-O 3.01Å; I111-A151 HydrophobicContact CD1-CB 4Å; L134-A151 HydrophobicContact CD2-CB 3.82Å; I148-A151 HydrophobicContact CG2-CB 3.6Å
152G98Very high92.9Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-111.3179.517000000111.9H112H112-G152 PolarHBondContact N-O 3.07Å; H112-G152 PolarHBondContact O-N 3.05Å
153I98.4Very high91.8Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-121.1126.1-178.5-52.5178000110.4H55 A57 H58 V68 V95 Y109 V177 I207H55-I153 HydrophobicContact CB-CD1 4.48Å; A57-I153 WeakPolarHBondContact CA-O 3.11Å; A57-I153 HydrophobicContact CB-CB 4.17Å; A57-I153 HydrophobicContact CB-CG2 3.87Å; H58-I153 PolarHBondContact CE1-O 2.83Å; H58-I153 PolarHBondContact N-O 3.21Å; H58-I153 PolarHBondContact ND1-O 2.88Å; V68-I153 HydrophobicContact CG2-CD1 3.93Å; V68-I153 HydrophobicContact CG2-CG1 3.9Å; V95-I153 HydrophobicContact CG2-CG2 4.43Å; Y109-I153 HydrophobicContact CD1-CG2 3.83Å; Y109-I153 HydrophobicContact CG-CG2 4.37Å; I153-V177 HydrophobicContact CD1-CG2 3.93Å; I153-I207 HydrophobicContact CD1-CD1 4.38Å; I153-I207 HydrophobicContact CD1-CG2 4.44Å
154L97Very high90.6Very high8 Ų839.8 Ų39.84%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-101.8129176.1-174.774.3000110H58 E60 Y109 Q110 H112 L156H58-L154 CarbonylContact O-C 3.6Å; H58-L154 WeakPolarHBondContact O-CA 3.12Å; H58-L154 WeakPolarHBondContact O-CD1 3.19Å; E60-L154 HydrophobicContact CB-CD1 4.24Å; Y109-L154 CarbonylContact C-O 3.58Å; Y109-L154 WeakPolarHBondContact CA-O 3.11Å; Q110-L154 HydrophobicContact CB-CB 4.48Å; Q110-L154 PolarHBondContact N-O 3.39Å; Q110-L154 PolarHBondContact O-N 2.85Å; H112-L154 HydrophobicContact CB-CB 4.23Å; L154-L156 HydrophobicContact CD2-CD2 3.95Å; L154-L156 HydrophobicContact CG-CD2 4.47Å
155K95Very high89Confident21 Ų2145.1 Ų45.19%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-90.4123.7167.7177.573-179.5790108.8A57 H58 Y59 Y109 N158A57-K155 HydrophobicContact CB-CB 4.23Å; H58-K155 PolarHBondContact O-N 2.89Å; Y59-K155 HydrophobicContact CD1-CB 4.12Å; Y59-K155 HydrophobicContact CD1-CG 3.98Å; Y59-K155 WeakPolarHBondContact CD1-O 3.4Å; Y59-K155 HydrophobicContact CE1-CB 3.98Å; Y59-K155 HydrophobicContact CE1-CG 3.36Å; Y109-K155 HydrophobicContact CD1-CB 4.1Å; Y109-K155 HydrophobicContact CD1-CD 3.89Å; Y109-K155 HydrophobicContact CE1-CB 3.9Å; Y109-K155 HydrophobicContact CE1-CD 3.33Å; Y109-K155 HydrophobicContact CE1-CG 4.16Å; Y109-K155 HydrophobicContact CE2-CD 4.12Å; Y109-K155 HydrophobicContact CG-CD 4.5Å; Y109-K155 VanDerWaalsContact CZ-CD 3.44Å; K155-N158 PolarHBondContact NZ-OD1 3.3Å
156L92.5Very high87.3Confident18 Ų1846.9 Ų46.99%0.09424%0.24CC..PPolyproline II helixtrans-79.8145.4172.9-60.1-179.8000110.4F108 Q110 L154 I161F108-L156 PolarHBondContact O-N 2.8Å; Q110-L156 HydrophobicContact CG-CD1 3.83Å; Q110-L156 HydrophobicContact CG-CD2 4.43Å; Q110-L156 HydrophobicContact CG-CG 4.28Å; L154-L156 HydrophobicContact CD2-CD2 3.95Å; L154-L156 HydrophobicContact CG-CD2 4.47Å; L156-I161 HydrophobicContact CB-CD1 3.74Å; L156-I161 HydrophobicContact CB-CG1 4.17Å; L156-I161 HydrophobicContact CD1-CD1 3.52Å; L156-I161 HydrophobicContact CG-CD1 4.29Å
157R89.3Confident85.8Confident130 Ų13050.1 Ų50.149%0.49126%0.255SS..PPolyproline II helixtrans-70143.1175-61.2-177.4-63.6-179.91.5109.6Y59 S159 D160 I161Y59-R157 HydrophobicContact CD1-CG 4.24Å; R157-S159 VanDerWaalsContact C-N 3.31Å; R157-S159 PolarHBondContact O-N 2.88Å; R157-D160 IonicContact CZ-OD1 2.78Å; R157-D160 IonicContact CZ-OD2 3.96Å; R157-D160 IonicContact NE-OD1 2.83Å; R157-D160 IonicContact NE-OD2 3.55Å; R157-D160 PolarHBondContact NE-OD2 3.4Å; R157-D160 IonicContact NH2-OD1 2.88Å; R157-D160 PolarHBondContact NH2-OD1 3.42Å; R157-D160 IonicContact NH2-OD2 3.86Å; R157-D160 PolarHBondContact NH2-OD2 2.84Å; R157-D160 PolarHBondContact O-N 2.88Å; R157-D160 VanDerWaalsContact O-N 3.09Å; R157-I161 PolarHBondContact O-N 3.14Å
158N84.6Confident83.9Confident34 Ų3451.1 Ų51.118%0.18226%0.264CS..Hα-helixtrans-64.4-38.5-174.7-60.3-15.2000111.8K155 D160 I161 E162 R172K155-N158 PolarHBondContact NZ-OD1 3.3Å; N158-D160 PolarHBondContact O-N 2.91Å; N158-I161 PolarHBondContact O-N 2.88Å; N158-E162 WeakPolarHBondContact O-CG 3.39Å; N158-E162 PolarHBondContact O-N 3.27Å; N158-R172 PolarHBondContact ND2-NE 3.3Å; N158-R172 PolarHBondContact ND2-NH1 3.4Å; N158-R172 VanDerWaalsContact ND2-NH1 3.16Å
159S82.9Confident82.1Confident58 Ų5856.8 Ų56.841%0.40630%0.295SS..Hα-helixtrans-52.8-39.1173.154.80000112.8R157 I161 L163R157-S159 VanDerWaalsContact C-N 3.31Å; R157-S159 PolarHBondContact O-N 2.88Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 3.15Å; S159-L163 WeakPolarHBondContact O-CD1 3.4Å; S159-L163 VanDerWaalsContact O-CG 3.29Å; S159-L163 WeakPolarHBondContact O-CG 3.24Å; S159-L163 PolarHBondContact O-N 2.89Å
160D81.7Confident80.1Confident43 Ų4361.7 Ų61.723%0.2333%0.325CS..Hα-helixtrans-78.2-17.7-175.9-54.4-14.9000112.2R157 N158 R164R157-D160 IonicContact CZ-OD1 2.78Å; R157-D160 IonicContact CZ-OD2 3.96Å; R157-D160 IonicContact NE-OD1 2.83Å; R157-D160 IonicContact NE-OD2 3.55Å; R157-D160 PolarHBondContact NE-OD2 3.4Å; R157-D160 IonicContact NH2-OD1 2.88Å; R157-D160 PolarHBondContact NH2-OD1 3.42Å; R157-D160 IonicContact NH2-OD2 3.86Å; R157-D160 PolarHBondContact NH2-OD2 2.84Å; R157-D160 PolarHBondContact O-N 2.88Å; R157-D160 VanDerWaalsContact O-N 3.09Å; N158-D160 PolarHBondContact O-N 2.91Å; D160-R164 WeakPolarHBondContact O-CG 3.42Å; D160-R164 PolarHBondContact O-NE 3.49Å
161I81.3Confident78.4Confident4 Ų462.4 Ų62.42%0.02133%0.332CS..Hα-helixtrans-87.3-47.9174.4-58-53.3000110.5P107 F108 L156 R157 N158 S159 L163 R164 K165 E167P107-I161 WeakPolarHBondContact O-CD1 3.37Å; F108-I161 HydrophobicContact CD1-CB 4.37Å; F108-I161 HydrophobicContact CD1-CG1 3.81Å; F108-I161 HydrophobicContact CD1-CG2 4.47Å; F108-I161 HydrophobicContact CE1-CB 3.97Å; F108-I161 HydrophobicContact CE1-CG1 3.94Å; F108-I161 HydrophobicContact CE1-CG2 3.94Å; F108-I161 HydrophobicContact CE2-CG2 4.48Å; F108-I161 HydrophobicContact CZ-CB 4.46Å; F108-I161 HydrophobicContact CZ-CG2 3.92Å; L156-I161 HydrophobicContact CB-CD1 3.74Å; L156-I161 HydrophobicContact CB-CG1 4.17Å; L156-I161 HydrophobicContact CD1-CD1 3.52Å; L156-I161 HydrophobicContact CG-CD1 4.29Å; R157-I161 PolarHBondContact O-N 3.14Å; N158-I161 PolarHBondContact O-N 2.88Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 3.15Å; I161-L163 PolarHBondContact O-N 2.68Å; I161-R164 PolarHBondContact O-N 2.72Å; I161-K165 PolarHBondContact O-N 2.73Å; I161-E167 HydrophobicContact CG2-CB 4.03Å
162E77.8Confident77Confident101 Ų10168.3 Ų68.347%0.47235%0.354SS..Hα-helixtrans-55.4-41.3179.7-71.2164-158.100110.7N158 R164 R172N158-E162 WeakPolarHBondContact O-CG 3.39Å; N158-E162 PolarHBondContact O-N 3.27Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3Å; E162-R172 IonicContact OE1-NH1 3.37Å; E162-R172 PolarHBondContact OE1-NH1 2.81Å
163L70.7Confident75.8Confident152 Ų15277 Ų7780%0.79639%0.392SS*.Hα-helixtrans-66.9-23.7175.6-73.6168.7000114.9S159 I161S159-L163 WeakPolarHBondContact O-CD1 3.4Å; S159-L163 VanDerWaalsContact O-CG 3.29Å; S159-L163 WeakPolarHBondContact O-CG 3.24Å; S159-L163 PolarHBondContact O-N 2.89Å; I161-L163 PolarHBondContact O-N 2.68Å
164R70.1Confident75Confident140 Ų14079.9 Ų79.953%0.52841%0.407SS..Hα-helixtrans-104.2-34.1-172.6-73.9-169.7-68.2163-4114.8D160 I161 E162D160-R164 WeakPolarHBondContact O-CG 3.42Å; D160-R164 PolarHBondContact O-NE 3.49Å; I161-R164 PolarHBondContact O-N 2.72Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3Å
165K64.4Low74.7Confident118 Ų11881.4 Ų81.451%0.51342%0.417SS..Hα-helixtrans-133.2-2.4-164.9-75-168.1174.1-171.50115.7I161 E167I161-K165 PolarHBondContact O-N 2.73Å; K165-E167 HydrophobicContact CB-CB 4.25Å; K165-E167 PolarHBondContact O-N 2.85Å; K165-E167 VanDerWaalsContact O-N 3.07Å
166G63Low74.6Confident67 Ų6786.2 Ų86.269%0.69143%0.434SS*.  trans55.327.2-17900000113.4
167E64.8Low74.8Confident70 Ų7085.3 Ų85.333%0.32743%0.43SS..  trans-81.4133.8-167.7-151.7151.4-168.800110.8P107 I161 K165P107-E167 HydrophobicContact CB-CG 4.29Å; P107-E167 WeakPolarHBondContact CB-OE1 3.47Å; P107-E167 WeakPolarHBondContact CB-OE2 3.46Å; P107-E167 HydrophobicContact CG-CG 4.47Å; P107-E167 WeakPolarHBondContact CG-OE1 3.38Å; I161-E167 HydrophobicContact CG2-CB 4.03Å; K165-E167 HydrophobicContact CB-CB 4.25Å; K165-E167 PolarHBondContact O-N 2.85Å; K165-E167 VanDerWaalsContact O-N 3.07Å
168T58.8Low75.2Confident99 Ų9980.3 Ų80.361%0.60741%0.411SS*.  trans-76.9167.2-166.560.40000114.4V170 G171T168-V170 PolarHBondContact O-N 3.07Å; T168-G171 PolarHBondContact O-N 2.62Å
169D59.9Low75.8Confident119 Ų11978.7 Ų78.764%0.63640%0.402SS*.Hα-helixtrans-50.8-19.5179.6-85.1-37.3000115.8G171 R172D169-G171 VanDerWaalsContact C-N 3.34Å; D169-G171 PolarHBondContact O-N 3.08Å; D169-R172 VanDerWaalsContact O-CB 3.24Å; D169-R172 WeakPolarHBondContact O-CB 3.37Å; D169-R172 PolarHBondContact O-N 2.85Å; D169-R172 VanDerWaalsContact O-N 3.14Å
170V56.6Low76.6Confident114 Ų11475.9 Ų75.969%0.69138%0.383SS*.Hα-helixtrans-61.8-41.9-178.6179.80000111.3T168 R172 K173 N174T168-V170 PolarHBondContact O-N 3.07Å; V170-R172 VanDerWaalsContact C-N 3.28Å; V170-R172 PolarHBondContact O-N 2.95Å; V170-K173 PolarHBondContact O-N 3.34Å; V170-N174 PolarHBondContact O-N 2.79Å
171G62Low77.4Confident14 Ų1473.9 Ų73.914%0.14437%0.372CS..Hα-helixtrans-75.1-18.2178.400000113.5F108 T168 D169 K173 N174F108-G171 WeakPolarHBondContact CD2-O 3.38Å; T168-G171 PolarHBondContact O-N 2.62Å; D169-G171 VanDerWaalsContact C-N 3.34Å; D169-G171 PolarHBondContact O-N 3.08Å; G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 2.94Å; G171-N174 PolarHBondContact O-N 3.16Å
172R67.6Low78.2Confident125 Ų12573.7 Ų73.747%0.47237%0.371SS..Hα-helixtrans-65.7-35.2175.8-169178.9178.1112.1-4.7112.2N158 E162 D169 V170N158-R172 PolarHBondContact ND2-NE 3.3Å; N158-R172 PolarHBondContact ND2-NH1 3.4Å; N158-R172 VanDerWaalsContact ND2-NH1 3.16Å; E162-R172 IonicContact OE1-NH1 3.37Å; E162-R172 PolarHBondContact OE1-NH1 2.81Å; D169-R172 VanDerWaalsContact O-CB 3.24Å; D169-R172 WeakPolarHBondContact O-CB 3.37Å; D169-R172 PolarHBondContact O-N 2.85Å; D169-R172 VanDerWaalsContact O-N 3.14Å; V170-R172 VanDerWaalsContact C-N 3.28Å; V170-R172 PolarHBondContact O-N 2.95Å
173K74.1Confident79.1Confident183 Ų18368.9 Ų68.980%0.79635%0.348SS*.Hα-helixtrans-91.7-14.5179.4-63.7-178.7-177.7176.60113.2V170 G171 T175V170-K173 PolarHBondContact O-N 3.34Å; G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 2.94Å; K173-T175 PolarHBondContact O-N 2.88Å
174N80.6Confident80.2Confident60 Ų6063.1 Ų63.132%0.32132%0.317SS..  trans-83105.6178.8-168-4.9000110.8V170 G171 R176V170-N174 PolarHBondContact O-N 2.79Å; G171-N174 PolarHBondContact O-N 3.16Å; N174-R176 PolarHBondContact OD1-N 2.91Å; N174-R176 PolarHBondContact OD1-O 2.78Å
175T90.8Very high81.3Confident39 Ų3956.5 Ų56.524%0.23929%0.292CS..  trans-102.66.5178.455.10000112.9K173 E208 C209K173-T175 PolarHBondContact O-N 2.88Å; T175-E208 WeakPolarHBondContact CB-OE1 3.44Å; T175-E208 PolarHBondContact OG1-OE1 2.92Å; T175-E208 PolarHBondContact OG1-OE2 3.38Å; T175-C209 VanDerWaalsContact O-CB 3.26Å; T175-C209 WeakPolarHBondContact O-CB 3.46Å; T175-C209 PolarHBondContact O-N 2.75Å
176R93.3Very high82.4Confident122 Ų12254 Ų5446%0.4629%0.288SS..EExtended strand (participates in β ladder)trans-102.7133.3-180-61.7-174.599.6178.86.4111.1A98 N174 I207 E208A98-R176 HydrophobicContact CB-CB 3.78Å; A98-R176 WeakPolarHBondContact CB-O 3.39Å; N174-R176 PolarHBondContact OD1-N 2.91Å; N174-R176 PolarHBondContact OD1-O 2.78Å; R176-I207 WeakPolarHBondContact CA-O 3.5Å; R176-E208 WeakPolarHBondContact CG-OE2 3.18Å; R176-E208 IonicContact NE-OE2 3.43Å
177V96.4Very high83.3Confident0 Ų051.3 Ų51.30%026%0.258CS..EExtended strand (participates in β ladder)trans-131.7171.2-179.4-48.70000111.2V95 G96 Y109 I153 P206 I207 C209V95-V177 HydrophobicContact CG1-CB 3.56Å; V95-V177 HydrophobicContact CG1-CG1 3.82Å; V95-V177 HydrophobicContact CG1-CG2 3.8Å; G96-V177 WeakPolarHBondContact O-CA 3.25Å; Y109-V177 HydrophobicContact CD1-CG1 4.5Å; Y109-V177 HydrophobicContact CD2-CG1 3.43Å; Y109-V177 VanDerWaalsContact CD2-CG1 3.43Å; Y109-V177 HydrophobicContact CE2-CG1 3.99Å; Y109-V177 HydrophobicContact CG-CG1 3.76Å; I153-V177 HydrophobicContact CD1-CG2 3.93Å; V177-P206 CarbonylContact O-C 3.52Å; V177-P206 WeakPolarHBondContact O-CA 3.48Å; V177-I207 HydrophobicContact CG2-CB 4.21Å; V177-I207 PolarHBondContact N-O 2.81Å; V177-I207 PolarHBondContact O-N 3.03Å; V177-C209 WeakPolarHBondContact CG2-SG 3.46Å
178R97.5Very high83.5Confident24 Ų2450.6 Ų50.69%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-125.1148.3165-69.4176.2-173.9-1454.7109.8G96 A98 D100 A203 S204G96-R178 PolarHBondContact N-O 3.46Å; G96-R178 PolarHBondContact O-N 3.45Å; A98-R178 PolarHBondContact O-NE 3.19Å; A98-R178 PolarHBondContact O-NH2 3.03Å; A98-R178 VanDerWaalsContact O-NH2 3.14Å; D100-R178 IonicContact OD1-CZ 2.78Å; D100-R178 IonicContact OD1-NH1 3.14Å; D100-R178 PolarHBondContact OD1-NH1 3.19Å; D100-R178 IonicContact OD1-NH2 3.81Å; D100-R178 PolarHBondContact OD1-NH2 3.07Å; D100-R178 IonicContact OD2-NH2 3.37Å; D100-R178 PolarHBondContact OD2-NH2 2.77Å; R178-A203 HydrophobicContact CB-CB 4.43Å; R178-S204 WeakPolarHBondContact CD-O 3.4Å; R178-S204 WeakPolarHBondContact CG-O 3.39Å
179L98.4Very high83.6Confident0 Ų050 Ų500%026%0.262CS..EExtended strand (participates in β ladder)trans-79.6126.5160.5-63.3-179.1000107.5V68 V95 I111 F181 A203 S204 I207V68-L179 HydrophobicContact CB-CD1 4.27Å; V68-L179 HydrophobicContact CG1-CD1 4.26Å; V68-L179 HydrophobicContact CG2-CD1 4.25Å; V95-L179 HydrophobicContact CG2-CD2 4.35Å; I111-L179 HydrophobicContact CD1-CD2 3.91Å; L179-F181 HydrophobicContact CB-CE2 3.83Å; L179-F181 HydrophobicContact CB-CZ 3.74Å; L179-F181 HydrophobicContact CD1-CZ 4.18Å; L179-A203 WeakPolarHBondContact O-CA 3.18Å; L179-S204 PolarHBondContact N-OG 2.89Å; L179-S204 PolarHBondContact O-N 2.85Å; L179-I207 HydrophobicContact CD1-CD1 4.3Å; L179-I207 HydrophobicContact CG-CD1 3.93Å
180V98.3Very high83.5Confident0 Ų050.7 Ų50.70%027%0.273CS..EExtended strand (participates in β ladder)trans-111.7126.3179.5-1720000108.1V93 F94 I103 Q201 A203V93-V180 WeakPolarHBondContact CA-O 3.48Å; F94-V180 HydrophobicContact CD1-CB 4.02Å; F94-V180 HydrophobicContact CD1-CG1 4.3Å; F94-V180 HydrophobicContact CD2-CB 4.1Å; F94-V180 HydrophobicContact CD2-CG2 4.34Å; F94-V180 HydrophobicContact CE1-CB 3.68Å; F94-V180 HydrophobicContact CE1-CG1 3.49Å; F94-V180 VanDerWaalsContact CE1-CG1 3.49Å; F94-V180 HydrophobicContact CE2-CB 3.76Å; F94-V180 HydrophobicContact CE2-CG1 4.03Å; F94-V180 HydrophobicContact CE2-CG2 3.9Å; F94-V180 HydrophobicContact CG-CB 4.23Å; F94-V180 HydrophobicContact CZ-CB 3.55Å; F94-V180 HydrophobicContact CZ-CG1 3.34Å; F94-V180 HydrophobicContact CZ-CG2 4.09Å; F94-V180 PolarHBondContact N-O 2.82Å; F94-V180 PolarHBondContact O-N 2.9Å; I103-V180 HydrophobicContact CG2-CB 4.47Å; I103-V180 HydrophobicContact CG2-CG1 4.08Å; I103-V180 HydrophobicContact CG2-CG2 3.55Å; V180-Q201 VanDerWaalsContact CG1-CD 3.47Å; V180-Q201 HydrophobicContact CG1-CG 3.53Å; V180-A203 HydrophobicContact CG2-CB 4.31Å
181F98.5Very high83.8Confident0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-111.8125.7-177.3-57.4-80.2000108.7L45 I47 V78 L91 Q92 V93 I148 L179 Q201 V202L45-F181 HydrophobicContact CD2-CB 4.33Å; L45-F181 WeakPolarHBondContact CD2-O 3.43Å; I47-F181 HydrophobicContact CD1-CD2 3.92Å; I47-F181 HydrophobicContact CD1-CE2 3.86Å; I47-F181 HydrophobicContact CG1-CD2 4.09Å; I47-F181 HydrophobicContact CG1-CE2 4.18Å; V78-F181 HydrophobicContact CG1-CB 4.36Å; V78-F181 HydrophobicContact CG1-CG 4.36Å; V78-F181 HydrophobicContact CG2-CD1 3.7Å; V78-F181 HydrophobicContact CG2-CD2 3.91Å; V78-F181 HydrophobicContact CG2-CE1 3.66Å; V78-F181 HydrophobicContact CG2-CE2 3.86Å; V78-F181 HydrophobicContact CG2-CG 3.83Å; V78-F181 HydrophobicContact CG2-CZ 3.73Å; L91-F181 HydrophobicContact CD1-CB 4Å; L91-F181 HydrophobicContact CD2-CD1 4.08Å; L91-F181 HydrophobicContact CG-CD1 4.4Å; Q92-F181 CarbonylContact O-C 3.58Å; Q92-F181 WeakPolarHBondContact O-CA 3.47Å; V93-F181 HydrophobicContact CB-CD1 4.37Å; V93-F181 HydrophobicContact CB-CE1 4.44Å; V93-F181 HydrophobicContact CG1-CD1 3.96Å; V93-F181 HydrophobicContact CG1-CE1 3.69Å; V93-F181 HydrophobicContact CG1-CZ 4.45Å; V93-F181 HydrophobicContact CG2-CD1 3.75Å; V93-F181 HydrophobicContact CG2-CE1 3.91Å; I148-F181 HydrophobicContact CD1-CE1 4.08Å; I148-F181 HydrophobicContact CG1-CE1 3.92Å; I148-F181 HydrophobicContact CG1-CZ 4.35Å; I148-F181 HydrophobicContact CG2-CE1 4.35Å; L179-F181 HydrophobicContact CB-CE2 3.83Å; L179-F181 HydrophobicContact CB-CZ 3.74Å; L179-F181 HydrophobicContact CD1-CZ 4.18Å; F181-Q201 CarbonylContact O-C 3.51Å; F181-Q201 VanDerWaalsContact O-CA 3.24Å; F181-Q201 WeakPolarHBondContact O-CA 3.38Å; F181-V202 HydrophobicContact CB-CG1 3.95Å; F181-V202 HydrophobicContact CD2-CG1 4.23Å; F181-V202 PolarHBondContact N-O 2.8Å; F181-V202 PolarHBondContact O-N 2.9Å
182R97.7Very high83.9Confident1 Ų147.2 Ų47.20%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-129.9136.1179.7-175.5-179.5-74.1-159.8-7.5109.9P30 P31 L32 W34 L36 Q92 L200P30-R182 PolarHBondContact O-NH1 2.87Å; P31-R182 PolarHBondContact O-NH1 3.16Å; P31-R182 PolarHBondContact O-NH2 3.46Å; P31-R182 VanDerWaalsContact O-NH2 3.12Å; L32-R182 PolarHBondContact O-NH2 2.91Å; W34-R182 PolarHBondContact O-NH2 3.17Å; L36-R182 HydrophobicContact CD1-CG 4.29Å; Q92-R182 HydrophobicContact CB-CB 4.35Å; Q92-R182 WeakPolarHBondContact CB-O 3.32Å; Q92-R182 PolarHBondContact N-O 3.09Å; Q92-R182 PolarHBondContact O-N 2.87Å; R182-L200 VanDerWaalsContact CA-O 3.3Å; R182-L200 WeakPolarHBondContact CA-O 3.37Å
183T97.1Very high83.8Confident0 Ų044.5 Ų44.50%025%0.25CS..EExtended strand (participates in β ladder)trans-132.9153.5172-163.40000110.8L45 L80 S90 L185 A199 L200L45-T183 HydrophobicContact CD1-CG2 4.24Å; L45-T183 HydrophobicContact CD2-CG2 4.21Å; L80-T183 HydrophobicContact CD1-CG2 4.3Å; L80-T183 HydrophobicContact CD2-CG2 4.4Å; S90-T183 PolarHBondContact O-OG1 2.88Å; T183-L185 HydrophobicContact CG2-CD2 4.18Å; T183-A199 WeakPolarHBondContact O-CA 3.41Å; T183-L200 HydrophobicContact CG2-CB 4.4Å; T183-L200 PolarHBondContact N-O 3.24Å; T183-L200 PolarHBondContact O-N 3.14Å
184H95.2Very high83.7Confident31 Ų3140.9 Ų40.914%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-124.5108.1-175.8-67107.1000107.4Q92 V197 L198Q92-H184 PolarHBondContact OE1-CE1 3.1Å; Q92-H184 VanDerWaalsContact OE1-CE1 3.28Å; H184-V197 HydrophobicContact CB-CG1 3.62Å; H184-L198 WeakPolarHBondContact CA-O 3.26Å
185L91.9Very high83.5Confident0 Ų040.9 Ų40.90%026%0.259CS..EExtended strand (participates in β ladder)trans-104.3128.6-179.948.9141.7000110.3F43 Y83 L89 T183 V187 V197 L198 L200F43-L185 HydrophobicContact CB-CD1 4.43Å; F43-L185 HydrophobicContact CD1-CD1 3.9Å; F43-L185 HydrophobicContact CD2-CD1 3.73Å; F43-L185 HydrophobicContact CE1-CD1 3.99Å; F43-L185 HydrophobicContact CE2-CD1 3.79Å; F43-L185 HydrophobicContact CG-CD1 3.77Å; F43-L185 HydrophobicContact CZ-CD1 3.92Å; Y83-L185 HydrophobicContact CE2-CB 4.42Å; L89-L185 HydrophobicContact CD1-CB 4.01Å; T183-L185 HydrophobicContact CG2-CD2 4.18Å; L185-V187 PolarHBondContact O-N 3.32Å; L185-V197 CarbonylContact O-C 3.58Å; L185-V197 VanDerWaalsContact O-CA 3.31Å; L185-V197 WeakPolarHBondContact O-CA 3.11Å; L185-L198 HydrophobicContact CD1-CB 4.03Å; L185-L198 HydrophobicContact CD1-CD2 3.62Å; L185-L198 HydrophobicContact CD1-CG 4.1Å; L185-L198 HydrophobicContact CD2-CB 4.29Å; L185-L198 HydrophobicContact CD2-CD2 4.16Å; L185-L198 HydrophobicContact CD2-CG 4Å; L185-L198 WeakPolarHBondContact CD2-O 3.41Å; L185-L198 HydrophobicContact CG-CB 3.81Å; L185-L198 HydrophobicContact CG-CD2 4.1Å; L185-L198 HydrophobicContact CG-CG 4.02Å; L185-L198 PolarHBondContact N-O 2.98Å; L185-L198 PolarHBondContact O-N 2.89Å; L185-L200 HydrophobicContact CD2-CD1 3.96Å; L185-L200 HydrophobicContact CD2-CG 4.1Å
186P88.6Confident83.3Confident66 Ų6642.8 Ų42.843%0.42926%0.262SS..EExtended strand (participates in β ladder)trans-58.6133.3167.7-19.932.1000109.6
187V80.6Confident83.2Confident10 Ų1037.7 Ų37.76%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-108.2123176.8-174.50000108.8L23 L185 V191 R196 L198L23-V187 HydrophobicContact CD2-CB 4.49Å; L23-V187 HydrophobicContact CD2-CG2 3.9Å; L185-V187 PolarHBondContact O-N 3.32Å; V187-V191 HydrophobicContact CG1-CB 3.58Å; V187-V191 HydrophobicContact CG1-CG1 3.72Å; V187-R196 PolarHBondContact N-O 2.78Å; V187-L198 HydrophobicContact CG2-CB 3.42Å; V187-L198 VanDerWaalsContact CG2-CB 3.42Å
188A69.6Low83.1Confident55 Ų5537.7 Ų37.746%0.45525%0.245SC..  trans-94.7154.1170.200000111V191A188-V191 PolarHBondContact O-N 3.45Å
189P60.6Low83Confident86 Ų8636.6 Ų36.656%0.55824%0.24SC*.THydrogen-bonded Turntrans-55.9140.5169.2-2333.7000110.8G192P189-G192 WeakPolarHBondContact CA-O 3.44Å
190P58.1Low83Confident134 Ų13436.6 Ų36.687%0.8724%0.24SC*.THydrogen-bonded Turncis-91-1.41535-36000115.8G192P190-G192 VanDerWaalsContact C-N 3.3Å; P190-G192 PolarHBondContact O-N 3.43Å
191V63.9Low82.9Confident44 Ų4437.2 Ų37.227%0.26724%0.243SC..SBendtrans-76.1-19.6-172-175.20000112.4F43 V187 A188F43-V191 HydrophobicContact CE2-CG1 4.15Å; V187-V191 HydrophobicContact CG1-CB 3.58Å; V187-V191 HydrophobicContact CG1-CG1 3.72Å; A188-V191 PolarHBondContact O-N 3.45Å
192G63.6Low82.9Confident12 Ų1238.3 Ų38.312%0.12425%0.25CS..SBendtrans-170.8169.9174.100000113P189 P190P189-G192 WeakPolarHBondContact CA-O 3.44Å; P190-G192 VanDerWaalsContact C-N 3.3Å; P190-G192 PolarHBondContact O-N 3.43Å
193P64.9Low82.9Confident68 Ų6839.5 Ų39.544%0.44226%0.26SS..  trans-60.6145.5174.5-18.629.3000111.4R196P193-R196 HydrophobicContact CB-CG 4.02Å; P193-R196 HydrophobicContact CG-CG 4.22Å; P193-R196 WeakPolarHBondContact O-CB 3.36Å; P193-R196 WeakPolarHBondContact O-CG 3.37Å; P193-R196 PolarHBondContact O-N 3.39Å
194P71.5Confident82.9Confident107 Ų10739.5 Ų39.570%0.69526%0.26SS*.THydrogen-bonded Turntrans-57.5141.2177.124.5-32.8000111.3R196P194-R196 VanDerWaalsContact C-N 3.34Å
195G77.4Confident82.9Confident59 Ų5942.9 Ų42.961%0.60828%0.279SS*.THydrogen-bonded Turntrans81.57.7-179.300000115.1
196R86.8Confident83.1Confident79 Ų7944.3 Ų44.330%0.29829%0.288SS..EExtended strand (participates in β ladder)trans-91.7153.1171.4-62.5-68.8-74.9-84.22.3111.6L23 F24 V187 P193 P194L23-R196 PolarHBondContact O-NH2 3.04Å; F24-R196 CarbonylContact O-C 3.52Å; F24-R196 VanDerWaalsContact O-CA 3.26Å; F24-R196 WeakPolarHBondContact O-CA 3.43Å; F24-R196 WeakPolarHBondContact O-CD 3.37Å; F24-R196 PolarHBondContact O-NE 2.78Å; V187-R196 PolarHBondContact N-O 2.78Å; P193-R196 HydrophobicContact CB-CG 4.02Å; P193-R196 HydrophobicContact CG-CG 4.22Å; P193-R196 WeakPolarHBondContact O-CB 3.36Å; P193-R196 WeakPolarHBondContact O-CG 3.37Å; P193-R196 PolarHBondContact O-N 3.39Å; P194-R196 VanDerWaalsContact C-N 3.34Å
197V91.7Very high83.4Confident16 Ų1641.2 Ų41.210%0.09727%0.268CS..EExtended strand (participates in β ladder)trans-125.1126179.7179.10000108L23 F24 L29 H184 L185L23-V197 CarbonylContact C-O 3.56Å; L23-V197 WeakPolarHBondContact CA-O 3.36Å; F24-V197 PolarHBondContact N-O 3.49Å; F24-V197 PolarHBondContact O-N 3.47Å; L29-V197 HydrophobicContact CD2-CG1 4.4Å; H184-V197 HydrophobicContact CB-CG1 3.62Å; L185-V197 CarbonylContact O-C 3.58Å; L185-V197 VanDerWaalsContact O-CA 3.31Å; L185-V197 WeakPolarHBondContact O-CA 3.11Å
198L93.4Very high84.1Confident0 Ų042.4 Ų42.40%027%0.273CS..EExtended strand (participates in β ladder)trans-84.7128.5171.6164.564.3000108.6P22 L23 F40 F43 H184 L185 V187 L200P22-L198 HydrophobicContact CB-CD1 3.75Å; P22-L198 HydrophobicContact CG-CD1 3.47Å; P22-L198 VanDerWaalsContact CG-CD1 3.47Å; P22-L198 WeakPolarHBondContact O-CA 3.38Å; P22-L198 WeakPolarHBondContact O-CD1 3.29Å; L23-L198 HydrophobicContact CD2-CB 3.82Å; L23-L198 HydrophobicContact CD2-CD1 4.43Å; F40-L198 HydrophobicContact CB-CD1 3.93Å; F40-L198 HydrophobicContact CB-CD2 4.07Å; F40-L198 HydrophobicContact CD1-CD1 4.06Å; F40-L198 HydrophobicContact CD1-CD2 4.02Å; F40-L198 HydrophobicContact CG-CD1 4.02Å; F40-L198 HydrophobicContact CG-CD2 4.42Å; F43-L198 HydrophobicContact CB-CD2 4.23Å; F43-L198 HydrophobicContact CD2-CD2 3.58Å; F43-L198 HydrophobicContact CE2-CD2 4.29Å; F43-L198 HydrophobicContact CG-CD2 4.23Å; H184-L198 WeakPolarHBondContact CA-O 3.26Å; L185-L198 HydrophobicContact CD1-CB 4.03Å; L185-L198 HydrophobicContact CD1-CD2 3.62Å; L185-L198 HydrophobicContact CD1-CG 4.1Å; L185-L198 HydrophobicContact CD2-CB 4.29Å; L185-L198 HydrophobicContact CD2-CD2 4.16Å; L185-L198 HydrophobicContact CD2-CG 4Å; L185-L198 WeakPolarHBondContact CD2-O 3.41Å; L185-L198 HydrophobicContact CG-CB 3.81Å; L185-L198 HydrophobicContact CG-CD2 4.1Å; L185-L198 HydrophobicContact CG-CG 4.02Å; L185-L198 PolarHBondContact N-O 2.98Å; L185-L198 PolarHBondContact O-N 2.89Å; V187-L198 HydrophobicContact CG2-CB 3.42Å; V187-L198 VanDerWaalsContact CG2-CB 3.42Å; L198-L200 HydrophobicContact CD1-CD2 4.04Å; L198-L200 HydrophobicContact CD1-CG 4.49Å; L198-L200 HydrophobicContact CD2-CD2 4.33Å; L198-L200 HydrophobicContact CD2-CG 4.39Å; L198-L200 HydrophobicContact CG-CD2 4.21Å; L198-L200 HydrophobicContact CG-CG 4.19Å
199A95.8Very high85.3Confident0 Ų040 Ų400%025%0.253CS..EExtended strand (participates in β ladder)trans-105.9121.2174.900000110.4P22 F24 P30 L36 T183P22-A199 PolarHBondContact O-N 3.06Å; F24-A199 HydrophobicContact CD2-CB 3.76Å; F24-A199 HydrophobicContact CE2-CB 3.67Å; P30-A199 HydrophobicContact CG-CB 3.88Å; L36-A199 HydrophobicContact CD1-CB 3.7Å; L36-A199 HydrophobicContact CD2-CB 4.22Å; T183-A199 WeakPolarHBondContact O-CA 3.41Å
200L97.1Very high86.6Confident0 Ų037.8 Ų37.80%024%0.239CC..EExtended strand (participates in β ladder)trans-112.1145.9174.7-62.5178.5000110.1P37 F40 F43 L45 L80 R182 T183 L185 L198P37-L200 HydrophobicContact CG-CD2 4.36Å; P37-L200 CarbonylContact O-C 3.57Å; P37-L200 VanDerWaalsContact O-CA 3.3Å; P37-L200 WeakPolarHBondContact O-CA 3.35Å; F40-L200 HydrophobicContact CB-CD2 3.93Å; F43-L200 HydrophobicContact CB-CD1 3.82Å; L45-L200 HydrophobicContact CB-CB 3.96Å; L45-L200 HydrophobicContact CB-CD1 4.32Å; L45-L200 HydrophobicContact CD2-CB 4.45Å; L80-L200 HydrophobicContact CD1-CD1 3.98Å; R182-L200 VanDerWaalsContact CA-O 3.3Å; R182-L200 WeakPolarHBondContact CA-O 3.37Å; T183-L200 HydrophobicContact CG2-CB 4.4Å; T183-L200 PolarHBondContact N-O 3.24Å; T183-L200 PolarHBondContact O-N 3.14Å; L185-L200 HydrophobicContact CD2-CD1 3.96Å; L185-L200 HydrophobicContact CD2-CG 4.1Å; L198-L200 HydrophobicContact CD1-CD2 4.04Å; L198-L200 HydrophobicContact CD1-CG 4.49Å; L198-L200 HydrophobicContact CD2-CD2 4.33Å; L198-L200 HydrophobicContact CD2-CG 4.39Å; L198-L200 HydrophobicContact CG-CD2 4.21Å; L198-L200 HydrophobicContact CG-CG 4.19Å
201Q97.3Very high87.8Confident13 Ų1337.1 Ų37.16%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-141137.8178.1-173.8172.8-81.300112L36 P37 S38 V180 F181L36-Q201 HydrophobicContact CB-CB 3.63Å; L36-Q201 HydrophobicContact CD1-CB 4.31Å; P37-Q201 CarbonylContact C-O 3.6Å; P37-Q201 PolarHBondContact O-N 2.78Å; S38-Q201 WeakPolarHBondContact CA-O 3.4Å; S38-Q201 WeakPolarHBondContact CB-O 3.37Å; S38-Q201 PolarHBondContact N-O 3.3Å; V180-Q201 VanDerWaalsContact CG1-CD 3.47Å; V180-Q201 HydrophobicContact CG1-CG 3.53Å; F181-Q201 CarbonylContact O-C 3.51Å; F181-Q201 VanDerWaalsContact O-CA 3.24Å; F181-Q201 WeakPolarHBondContact O-CA 3.38Å
202V97.4Very high88Confident24 Ų2440.8 Ų40.815%0.14523%0.233CC..EExtended strand (participates in β ladder)trans-134.1142.2170.466.40000109.5L45 I47 F181L45-V202 HydrophobicContact CD2-CG1 3.95Å; L45-V202 HydrophobicContact CG-CG1 3.83Å; I47-V202 HydrophobicContact CD1-CG1 4.2Å; I47-V202 HydrophobicContact CD1-CG2 3.97Å; I47-V202 HydrophobicContact CG1-CG1 3.78Å; I47-V202 HydrophobicContact CG1-CG2 3.98Å; F181-V202 HydrophobicContact CB-CG1 3.95Å; F181-V202 HydrophobicContact CD2-CG1 4.23Å; F181-V202 PolarHBondContact N-O 2.8Å; F181-V202 PolarHBondContact O-N 2.9Å
203A97.7Very high87.8Confident25 Ų2544.3 Ų44.321%0.20726%0.256CS..EExtended strand (participates in β ladder)trans-113.1142.8176.700000110.1I103 R178 L179 V180I103-A203 HydrophobicContact CD1-CB 4Å; I103-A203 HydrophobicContact CG1-CB 4.24Å; R178-A203 HydrophobicContact CB-CB 4.43Å; L179-A203 WeakPolarHBondContact O-CA 3.18Å; V180-A203 HydrophobicContact CG2-CB 4.31Å
204S97.7Very high87.1Confident1 Ų144.3 Ų44.31%0.00726%0.262CS..PPolyproline II helixtrans-68.4172.5176.973.50000112.7I47 R178 L179I47-S204 VanDerWaalsContact CD1-CA 3.45Å; R178-S204 WeakPolarHBondContact CD-O 3.4Å; R178-S204 WeakPolarHBondContact CG-O 3.39Å; L179-S204 PolarHBondContact N-OG 2.89Å; L179-S204 PolarHBondContact O-N 2.85Å
205L95.4Very high86.4Confident102 Ų10243.3 Ų43.353%0.53425%0.248SC..SBendtrans-59.4152.8159.2-64.2178.6000110.8Q50Q50-L205 HydrophobicContact CB-CD1 4.36Å; Q50-L205 HydrophobicContact CG-CD1 4.1Å; Q50-L205 HydrophobicContact CG-CG 4.23Å; Q50-L205 VanDerWaalsContact OE1-N 3.07Å
206P95.3Very high86.2Confident30 Ų3045.6 Ų45.620%0.19524%0.243CC..PPolyproline II helixtrans-58.1138.2176.5-25.434.1000113.4A98 V177A98-P206 HydrophobicContact CB-CB 4.27Å; V177-P206 CarbonylContact O-C 3.52Å; V177-P206 WeakPolarHBondContact O-CA 3.48Å
207I95.9Very high86.3Confident0 Ų046.3 Ų46.30%025%0.252CS..EExtended strand (participates in β ladder)trans-114.1123.4176.8-52.7173.8000108.3P51 H55 V68 I153 R176 V177 L179P51-I207 HydrophobicContact CB-CD1 3.79Å; P51-I207 HydrophobicContact CB-CG1 4.26Å; P51-I207 HydrophobicContact CG-CD1 3.71Å; P51-I207 HydrophobicContact CG-CG1 3.98Å; H55-I207 HydrophobicContact CB-CG2 3.77Å; V68-I207 HydrophobicContact CG1-CD1 4.11Å; I153-I207 HydrophobicContact CD1-CD1 4.38Å; I153-I207 HydrophobicContact CD1-CG2 4.44Å; R176-I207 WeakPolarHBondContact CA-O 3.5Å; V177-I207 HydrophobicContact CG2-CB 4.21Å; V177-I207 PolarHBondContact N-O 2.81Å; V177-I207 PolarHBondContact O-N 3.03Å; L179-I207 HydrophobicContact CD1-CD1 4.3Å; L179-I207 HydrophobicContact CG-CD1 3.93Å
208E94.1Very high86.3Confident36 Ų3645.6 Ų45.617%0.16825%0.248CC..EExtended strand (participates in β ladder)trans-76.3117.7170.6-179.652.8-120.800110.1P53 H54 H55 T175 R176 S210P53-E208 WeakPolarHBondContact O-CB 3.44Å; P53-E208 PolarHBondContact O-N 3.01Å; H54-E208 WeakPolarHBondContact CA-O 3.48Å; H54-E208 HydrophobicContact CB-CB 4.49Å; H54-E208 PolarHBondContact ND1-O 2.67Å; H55-E208 PolarHBondContact N-O 3.12Å; T175-E208 WeakPolarHBondContact CB-OE1 3.44Å; T175-E208 PolarHBondContact OG1-OE1 2.92Å; T175-E208 PolarHBondContact OG1-OE2 3.38Å; R176-E208 WeakPolarHBondContact CG-OE2 3.18Å; R176-E208 IonicContact NE-OE2 3.43Å; E208-S210 WeakPolarHBondContact OE1-CB 3.45Å; E208-S210 PolarHBondContact OE1-N 3.44Å; E208-S210 VanDerWaalsContact OE1-N 3.11Å; E208-S210 PolarHBondContact OE1-OG 2.84Å
209C94.9Very high86.4Confident4 Ų448.6 Ų48.63%0.02727%0.266CS..  trans-99.3-11.7-173.5-69.40000115H55 A57 Y109 T175 V177H55-C209 VanDerWaalsContact O-CA 3.29Å; H55-C209 WeakPolarHBondContact O-CA 3.21Å; A57-C209 HydrophobicContact CB-CB 4.06Å; A57-C209 PolarHBondContact N-O 2.99Å; A57-C209 VanDerWaalsContact N-O 3.12Å; Y109-C209 HydrophobicContact CD1-CB 4.26Å; Y109-C209 HydrophobicContact CE1-CB 3.54Å; T175-C209 VanDerWaalsContact O-CB 3.26Å; T175-C209 WeakPolarHBondContact O-CB 3.46Å; T175-C209 PolarHBondContact O-N 2.75Å; V177-C209 WeakPolarHBondContact CG2-SG 3.46Å
210S89.4Confident86.4Confident40 Ų4049 Ų4928%0.2827%0.268SS..SBendtrans-58.6158.7179.257.20000111.3H54 E208 R212H54-S210 PolarHBondContact CE1-O 3.18Å; E208-S210 WeakPolarHBondContact OE1-CB 3.45Å; E208-S210 PolarHBondContact OE1-N 3.44Å; E208-S210 VanDerWaalsContact OE1-N 3.11Å; E208-S210 PolarHBondContact OE1-OG 2.84Å; S210-R212 PolarHBondContact O-N 2.92Å; S210-R212 VanDerWaalsContact O-N 3.09Å
211Q81.8Confident86.3Confident119 Ų11955.1 Ų55.156%0.55630%0.296SS*.  trans-65.3112.3161174.4169.3-1000106.9R56 S213R56-Q211 VanDerWaalsContact CZ-CD 3.43Å; Q211-S213 PolarHBondContact O-N 3.31Å; Q211-S213 VanDerWaalsContact O-N 3.08Å
212R68.1Low86.3Confident122 Ų12257.4 Ų57.446%0.4631%0.314SS..  trans-51.7123.2160.5-89.2170.4-162.8-81.73.2106.3H54 S210 A214H54-R212 VanDerWaalsContact CB-NH2 3.33Å; H54-R212 PolarHBondContact CD2-NE 2.61Å; H54-R212 WeakPolarHBondContact CE1-CG 3.42Å; H54-R212 PolarHBondContact CE1-NE 3.11Å; H54-R212 PolarHBondContact ND1-NE 2.6Å; H54-R212 VanDerWaalsContact ND1-NE 3.19Å; H54-R212 WeakPolarHBondContact NE2-CD 3.44Å; H54-R212 PolarHBondContact NE2-NE 3.06Å; S210-R212 PolarHBondContact O-N 2.92Å; S210-R212 VanDerWaalsContact O-N 3.09Å; R212-A214 PolarHBondContact O-N 3.41Å; R212-A214 VanDerWaalsContact O-N 3.1Å
213S59.6Low86.3Confident86 Ų8657.8 Ų57.860%0.60132%0.316SS*.  trans-45.8126.5156.746.70000105Q211 Q215Q211-S213 PolarHBondContact O-N 3.31Å; Q211-S213 VanDerWaalsContact O-N 3.08Å; S213-Q215 VanDerWaalsContact C-N 3.34Å; S213-Q215 CarbonylContact O-C 3.56Å; S213-Q215 PolarHBondContact O-N 2.92Å
214A50.2Low86.2Confident67 Ų6759.9 Ų59.955%0.55433%0.329SS*.SBendtrans-56.5103.4-169.700000107.3R212 K309R212-A214 PolarHBondContact O-N 3.41Å; R212-A214 VanDerWaalsContact O-N 3.1Å; A214-K309 VanDerWaalsContact O-CD 3.27Å; A214-K309 WeakPolarHBondContact O-CD 3.48Å; A214-K309 WeakPolarHBondContact O-CE 3.49Å; A214-K309 PolarHBondContact O-NZ 3.29Å
215Q58.3Low86.1Confident86 Ų8661.8 Ų61.840%0.40234%0.341SS..SBendtrans54.5127.9-167.1-73.2146.8-20.800115.7S213 L217 L244 K309S213-Q215 VanDerWaalsContact C-N 3.34Å; S213-Q215 CarbonylContact O-C 3.56Å; S213-Q215 PolarHBondContact O-N 2.92Å; Q215-L217 PolarHBondContact O-N 2.58Å; Q215-L244 VanDerWaalsContact CD-CD1 3.43Å; Q215-L244 HydrophobicContact CG-CD1 4.3Å; Q215-K309 HydrophobicContact CB-CD 4.09Å
216E72.9Confident86.1Confident108 Ų10861 Ų6151%0.50534%0.34SS..PPolyproline II helixtrans-52.1138.8156.7-69.7172.7-161.700108.5N242E216-N242 HydrophobicContact CB-CB 4.41Å; E216-N242 WeakPolarHBondContact CB-ND2 3.33Å; E216-N242 PolarHBondContact OE2-ND2 2.9Å
217L88.4Confident86.1Confident94 Ų9461.8 Ų61.849%0.49235%0.346SS..PPolyproline II helixtrans-62.5144.3-178.8-64.2175.3000108.9Q215 V219 K309Q215-L217 PolarHBondContact O-N 2.58Å; L217-V219 PolarHBondContact O-N 2.93Å; L217-K309 HydrophobicContact CD2-CB 3.83Å; L217-K309 HydrophobicContact CD2-CG 4.26Å
218P92.6Very high86.1Confident1 Ų161.9 Ų61.91%0.00635%0.347CS..PPolyproline II helixtrans-59.9139.4173.226.4-31.4000108.9F243 V303 N305 S311P218-F243 HydrophobicContact CB-CD1 3.99Å; P218-F243 HydrophobicContact CB-CE1 4.14Å; P218-V303 HydrophobicContact CB-CB 4Å; P218-V303 HydrophobicContact CB-CG1 3.63Å; P218-V303 HydrophobicContact CG-CB 4.19Å; P218-V303 HydrophobicContact CG-CG1 3.95Å; P218-V303 WeakPolarHBondContact CG-O 3.22Å; P218-N305 HydrophobicContact CG-CB 4.42Å; P218-S311 WeakPolarHBondContact O-CA 3.22Å; P218-S311 WeakPolarHBondContact O-CB 3.33Å
219V94.3Very high86.2Confident63 Ų6361.7 Ų61.738%0.38235%0.35SS..EExtended strand (participates in β ladder)trans-120.7129177.5-178.80000108L217 E221 G240 T241 F243L217-V219 PolarHBondContact O-N 2.93Å; V219-E221 HydrophobicContact CG1-CG 4.43Å; V219-G240 WeakPolarHBondContact O-CA 3.09Å; V219-T241 PolarHBondContact N-O 3.33Å; V219-T241 PolarHBondContact O-N 3.27Å; V219-F243 WeakPolarHBondContact O-CE1 3.18Å; V219-F243 WeakPolarHBondContact O-CZ 3.29Å
220I96.6Very high86.2Confident8 Ų861.5 Ų61.54%0.04135%0.348CS..EExtended strand (participates in β ladder)trans-97.5119.7172-57.4168.8000107.1V223 L238 V303 H314I220-V223 HydrophobicContact CG2-CG2 3.74Å; I220-L238 HydrophobicContact CG2-CD2 4.46Å; I220-V303 HydrophobicContact CD1-CB 4.4Å; I220-V303 HydrophobicContact CD1-CG2 3.73Å; I220-V303 HydrophobicContact CG1-CB 4.35Å; I220-V303 HydrophobicContact CG1-CG2 3.68Å; I220-H314 WeakPolarHBondContact CB-NE2 3.45Å; I220-H314 PolarHBondContact O-NE2 3.4Å
221E95.1Very high86.6Confident129 Ų12965.3 Ų65.360%0.60336%0.362SS*.EExtended strand (participates in β ladder)trans-96.7-38.2178.9-67.7176.5172.800111.7V219 S239V219-E221 HydrophobicContact CG1-CG 4.43Å; E221-S239 PolarHBondContact N-O 3.02Å
222S95.9Very high87.2Confident61 Ų6160.2 Ų60.243%0.42734%0.341SS..EExtended strand (participates in β ladder)trans-147155.7176.363.80000112.7S239S222-S239 PolarHBondContact N-O 2.7Å; S222-S239 VanDerWaalsContact N-O 3.14Å; S222-S239 PolarHBondContact O-N 3.09Å; S222-S239 WeakPolarHBondContact OG-CB 3.41Å
223V97.3Very high88.5Confident32 Ų3255.9 Ų55.919%0.19434%0.335CS..EExtended strand (participates in β ladder)trans-131.7122-176-175.90000107.2I220 V225 L236 L238 L301 H314I220-V223 HydrophobicContact CG2-CG2 3.74Å; V223-V225 VanDerWaalsContact CG1-O 3.25Å; V223-V225 WeakPolarHBondContact CG1-O 3.14Å; V223-V225 PolarHBondContact O-N 3.09Å; V223-L236 HydrophobicContact CG1-CD1 3.59Å; V223-L238 HydrophobicContact CB-CD2 4.18Å; V223-L238 HydrophobicContact CG1-CD2 3.83Å; V223-L238 HydrophobicContact CG2-CD2 3.86Å; V223-L301 HydrophobicContact CG1-CD2 4.1Å; V223-H314 HydrophobicContact CG2-CB 4.42Å
224S96.4Very high90.2Very high68 Ų6855.6 Ų55.648%0.47632%0.324SS..SBendtrans-68.9-33.1-173.963.20000114.1L237S224-L237 PolarHBondContact N-O 3.12Å; S224-L237 PolarHBondContact OG-N 3.45Å
225V94.9Very high92.4Very high42 Ų4258.1 Ų58.126%0.25532%0.324SS..  trans-135.6132.1-178.8-177.90000109.2V223 S227 L236 F316V223-V225 VanDerWaalsContact CG1-O 3.25Å; V223-V225 WeakPolarHBondContact CG1-O 3.14Å; V223-V225 PolarHBondContact O-N 3.09Å; V225-S227 WeakPolarHBondContact CG1-O 3.42Å; V225-L236 HydrophobicContact CB-CD1 4.14Å; V225-L236 VanDerWaalsContact O-CD1 3.29Å; V225-L236 WeakPolarHBondContact O-CD1 3.19Å; V225-F316 WeakPolarHBondContact O-CE2 3.15Å
226T95.3Very high94.3Very high85 Ų8554 Ų5452%0.52131%0.305SS..SBendtrans-108.30.1-178.356.20000113.7F316 K317T226-F316 CarbonylContact O-C 3.43Å; T226-F316 WeakPolarHBondContact O-CA 3.04Å; T226-K317 PolarHBondContact O-N 2.88Å
227S95.9Very high95.5Very high46 Ų4651.7 Ų51.732%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-158146.817656.30000112.4V225 K317V225-S227 WeakPolarHBondContact CG1-O 3.42Å; S227-K317 CarbonylContact C-O 3.54Å; S227-K317 WeakPolarHBondContact CA-O 3.33Å; S227-K317 VanDerWaalsContact CB-O 3.29Å; S227-K317 WeakPolarHBondContact CB-O 3.44Å
228C95.9Very high96Very high3 Ų347.2 Ų47.22%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-146.5174.4174.171.40000111.7E234 V285 F316 K317 Y318 L319C228-E234 HydrophobicContact CB-CB 4.34Å; C228-E234 HydrophobicContact CB-CG 4.11Å; C228-E234 VanDerWaalsContact CB-OE1 3.29Å; C228-E234 WeakPolarHBondContact CB-OE1 3.48Å; C228-V285 VanDerWaalsContact SG-CG1 3.57Å; C228-F316 HydrophobicContact CB-CE1 4.37Å; C228-F316 HydrophobicContact CB-CZ 3.91Å; C228-F316 VanDerWaalsContact SG-CE1 3.53Å; C228-F316 VanDerWaalsContact SG-CZ 3.52Å; C228-K317 PolarHBondContact N-O 3.1Å; C228-Y318 CarbonylContact O-C 3.51Å; C228-Y318 WeakPolarHBondContact O-CA 3.45Å; C228-Y318 WeakPolarHBondContact SG-CE1 2.87Å; C228-L319 PolarHBondContact O-N 2.58Å
229S95.8Very high96.2Very high31 Ų3149.1 Ų49.122%0.21729%0.285CS..EExtended strand (participates in β ladder)trans-56.1147.7167.9177.10000111.4E231 G232 Y318 L319S229-E231 PolarHBondContact O-N 2.76Å; S229-E231 VanDerWaalsContact O-N 3.09Å; S229-E231 PolarHBondContact OG-N 2.83Å; S229-G232 PolarHBondContact O-N 2.86Å; S229-Y318 WeakPolarHBondContact O-CD1 3.18Å; S229-L319 CarbonylContact C-O 3.59Å
230V96.4Very high96.3Very high0 Ų046.3 Ų46.30%027%0.269CS..THydrogen-bonded Turntrans-54-23.9170.8-71.90000113.3G232 Y288 L291 V293 L319 V321V230-G232 PolarHBondContact O-N 3.37Å; V230-Y288 HydrophobicContact CG1-CD1 4.42Å; V230-Y288 PolarHBondContact O-N 2.9Å; V230-L291 HydrophobicContact CB-CD2 4.12Å; V230-L291 HydrophobicContact CG2-CD2 4.31Å; V230-L291 WeakPolarHBondContact O-CD2 3.29Å; V230-V293 HydrophobicContact CG1-CG2 3.42Å; V230-V293 VanDerWaalsContact CG1-CG2 3.42Å; V230-L319 VanDerWaalsContact CG1-O 3.29Å; V230-L319 WeakPolarHBondContact CG1-O 3.49Å; V230-L319 PolarHBondContact N-O 3.38Å; V230-V321 HydrophobicContact CG2-CG2 3.56Å
231E96.1Very high96Very high121 Ų12148.2 Ų48.257%0.56528%0.281SS*.THydrogen-bonded Turntrans-69-17.1174.7-62.3-179.4142.300113.1S229 A287 V321S229-E231 PolarHBondContact O-N 2.76Å; S229-E231 VanDerWaalsContact O-N 3.09Å; S229-E231 PolarHBondContact OG-N 2.83Å; E231-A287 WeakPolarHBondContact O-CB 3.13Å; E231-V321 HydrophobicContact CG-CG2 4.24Å
232G95.6Very high95.8Very high12 Ų1244.7 Ų44.712%0.12427%0.267CS..  trans64.4-144.4-176.100000112S229 V230 E234S229-G232 PolarHBondContact O-N 2.86Å; V230-G232 PolarHBondContact O-N 3.37Å; G232-E234 PolarHBondContact O-N 2.92Å
233G94.9Very high95.7Very high31 Ų3141.9 Ų41.932%0.3225%0.246SC..  trans82.8-12.7174.300000115.2R284 V285G233-R284 WeakPolarHBondContact O-CG 3.35Å; G233-R284 PolarHBondContact O-NH1 2.92Å; G233-V285 PolarHBondContact N-O 3.21Å
234E95.1Very high95.4Very high80 Ų8042 Ų4237%0.37425%0.246SC..  trans-66.8149.7174.4-68.9-177.7-149.500111.9C228 G232 R284 V285C228-E234 HydrophobicContact CB-CB 4.34Å; C228-E234 HydrophobicContact CB-CG 4.11Å; C228-E234 VanDerWaalsContact CB-OE1 3.29Å; C228-E234 WeakPolarHBondContact CB-OE1 3.48Å; G232-E234 PolarHBondContact O-N 2.92Å; E234-R284 WeakPolarHBondContact O-CA 3.4Å; E234-V285 WeakPolarHBondContact O-CG2 3.29Å; E234-V285 PolarHBondContact O-N 3.09Å
235E97.6Very high95.1Very high120 Ų12044 Ų4456%0.56126%0.257SS*.EExtended strand (participates in β ladder)trans-80.7132.5173.2-173.5179.99500110.1
236L97.9Very high94.8Very high0 Ų047.4 Ų47.40%027%0.273CS..EExtended strand (participates in β ladder)trans-126.9124-179.4175.363.7000109.7V223 V225 L238 F251 V283 V285 L301V223-L236 HydrophobicContact CG1-CD1 3.59Å; V225-L236 HydrophobicContact CB-CD1 4.14Å; V225-L236 VanDerWaalsContact O-CD1 3.29Å; V225-L236 WeakPolarHBondContact O-CD1 3.19Å; L236-L238 HydrophobicContact CD1-CD2 4.34Å; L236-L238 HydrophobicContact CD2-CD2 4.16Å; L236-L238 HydrophobicContact CG-CD2 4.07Å; L236-L238 HydrophobicContact CG-CG 4.47Å; L236-F251 HydrophobicContact CD2-CZ 3.76Å; L236-V283 HydrophobicContact CB-CG2 3.76Å; L236-V283 HydrophobicContact CD2-CG2 4Å; L236-V283 HydrophobicContact CG-CG2 4.07Å; L236-V283 PolarHBondContact N-O 3.29Å; L236-V283 PolarHBondContact O-N 2.89Å; L236-V285 HydrophobicContact CB-CG2 3.74Å; L236-V285 HydrophobicContact CD2-CG2 4.11Å; L236-L301 HydrophobicContact CD2-CD2 3.97Å
237L98.1Very high94.8Very high59 Ų5943.3 Ų43.331%0.30925%0.248SC..EExtended strand (participates in β ladder)trans-101.7125.3174.9-56.5178.5000109.6S224 L280 L281 C282S224-L237 PolarHBondContact N-O 3.12Å; S224-L237 PolarHBondContact OG-N 3.45Å; L237-L280 HydrophobicContact CB-CD1 4.32Å; L237-L281 WeakPolarHBondContact CA-O 2.89Å; L237-C282 HydrophobicContact CD2-CB 3.86Å
238L98.1Very high94.9Very high0 Ų046.1 Ų46.10%025%0.251CS..EExtended strand (participates in β ladder)trans-110.5114.2172.2-54.6179000109I220 V223 L236 F243 V249 L280 L281 L301 V303I220-L238 HydrophobicContact CG2-CD2 4.46Å; V223-L238 HydrophobicContact CB-CD2 4.18Å; V223-L238 HydrophobicContact CG1-CD2 3.83Å; V223-L238 HydrophobicContact CG2-CD2 3.86Å; L236-L238 HydrophobicContact CD1-CD2 4.34Å; L236-L238 HydrophobicContact CD2-CD2 4.16Å; L236-L238 HydrophobicContact CG-CD2 4.07Å; L236-L238 HydrophobicContact CG-CG 4.47Å; L238-F243 WeakPolarHBondContact O-CE2 3.25Å; L238-V249 HydrophobicContact CD1-CB 4.44Å; L238-V249 HydrophobicContact CD1-CG1 3.72Å; L238-V249 HydrophobicContact CD1-CG2 3.81Å; L238-L280 CarbonylContact O-C 3.57Å; L238-L280 WeakPolarHBondContact O-CA 3.26Å; L238-L281 HydrophobicContact CB-CB 4.32Å; L238-L281 PolarHBondContact N-O 3.27Å; L238-L281 PolarHBondContact O-N 3.09Å; L238-L301 HydrophobicContact CD2-CD2 3.91Å; L238-V303 HydrophobicContact CD1-CG2 3.85Å
239S97.4Very high95Very high40 Ų4046 Ų4628%0.2825%0.25SS..EExtended strand (participates in β ladder)trans-97.3142.1172.2-50.50000110E221 S222 C279 L280E221-S239 PolarHBondContact N-O 3.02Å; S222-S239 PolarHBondContact N-O 2.7Å; S222-S239 VanDerWaalsContact N-O 3.14Å; S222-S239 PolarHBondContact O-N 3.09Å; S222-S239 WeakPolarHBondContact OG-CB 3.41Å; S239-C279 CarbonylContact C-O 3.54Å; S239-C279 WeakPolarHBondContact CA-O 3.38Å; S239-L280 WeakPolarHBondContact OG-CD1 3.5Å
240G95.3Very high95.1Very high4 Ų444.8 Ų44.84%0.04124%0.242CC..EExtended strand (participates in β ladder)trans174.8-151.4-178.500000113.6V219 C279V219-G240 WeakPolarHBondContact O-CA 3.09Å; G240-C279 PolarHBondContact N-O 3.08Å; G240-C279 WeakPolarHBondContact O-CA 3.48Å; G240-C279 WeakPolarHBondContact O-CB 3.36Å
241T91.8Very high95.1Very high48 Ų4844.8 Ų44.829%0.29424%0.242SC..EExtended strand (participates in β ladder)trans-135.9158.4-177.554.80000111.7V219 F243V219-T241 PolarHBondContact N-O 3.33Å; V219-T241 PolarHBondContact O-N 3.27Å; T241-F243 VanDerWaalsContact C-N 3.28Å; T241-F243 PolarHBondContact O-N 2.95Å
242N90.6Very high95.1Very high56 Ų5639.5 Ų39.530%0.29922%0.217SC..  trans61.333.1178.5-64.2-54.2000113.5E216 N305E216-N242 HydrophobicContact CB-CB 4.41Å; E216-N242 WeakPolarHBondContact CB-ND2 3.33Å; E216-N242 PolarHBondContact OE2-ND2 2.9Å; N242-N305 PolarHBondContact O-ND2 2.89Å
243F93.3Very high94.9Very high1 Ų140.1 Ų40.10%0.00422%0.217CC..  trans-77.5145.6165.1-53.9-31.4000109.8P218 V219 L238 T241 E278 L281 V303P218-F243 HydrophobicContact CB-CD1 3.99Å; P218-F243 HydrophobicContact CB-CE1 4.14Å; V219-F243 WeakPolarHBondContact O-CE1 3.18Å; V219-F243 WeakPolarHBondContact O-CZ 3.29Å; L238-F243 WeakPolarHBondContact O-CE2 3.25Å; T241-F243 VanDerWaalsContact C-N 3.28Å; T241-F243 PolarHBondContact O-N 2.95Å; F243-E278 WeakPolarHBondContact CB-O 3.29Å; F243-E278 PolarHBondContact N-O 3.24Å; F243-E278 VanDerWaalsContact N-O 3.08Å; F243-E278 WeakPolarHBondContact O-CA 3.24Å; F243-L281 HydrophobicContact CB-CD1 4.39Å; F243-L281 HydrophobicContact CB-CD2 4.27Å; F243-L281 HydrophobicContact CB-CG 4.23Å; F243-L281 HydrophobicContact CD1-CD1 4.04Å; F243-L281 HydrophobicContact CD2-CD1 4.06Å; F243-L281 HydrophobicContact CD2-CD2 4.49Å; F243-L281 HydrophobicContact CD2-CG 3.67Å; F243-L281 HydrophobicContact CE1-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CG 4.12Å; F243-L281 HydrophobicContact CG-CD1 3.9Å; F243-L281 HydrophobicContact CG-CD2 4.48Å; F243-L281 HydrophobicContact CG-CG 3.89Å; F243-L281 HydrophobicContact CZ-CD1 4.47Å; F243-V303 HydrophobicContact CD1-CG1 3.86Å; F243-V303 HydrophobicContact CE1-CB 4.19Å; F243-V303 HydrophobicContact CE1-CG1 3.98Å; F243-V303 HydrophobicContact CE1-CG2 3.89Å; F243-V303 HydrophobicContact CZ-CG2 4.38Å
244L90.9Very high94.5Very high36 Ų3645.7 Ų45.719%0.18823%0.228CC..  trans-120159.2-176.8-58.6173.8000109.1Q215 I246 S247 N305Q215-L244 VanDerWaalsContact CD-CD1 3.43Å; Q215-L244 HydrophobicContact CG-CD1 4.3Å; L244-I246 HydrophobicContact CB-CG1 4.03Å; L244-I246 HydrophobicContact CD1-CG1 4.26Å; L244-I246 PolarHBondContact O-N 3.43Å; L244-S247 PolarHBondContact N-OG 2.9Å; L244-S247 WeakPolarHBondContact O-CB 3.41Å; L244-S247 PolarHBondContact O-N 3.48Å; L244-S247 PolarHBondContact O-OG 3.42Å; L244-N305 HydrophobicContact CD1-CB 3.73Å
245P89.4Confident93.6Very high108 Ų10842.7 Ų42.770%0.70122%0.219SC*.THydrogen-bonded Turntrans-56.6-16.4171.2-26.935.5000114.5R273P245-R273 PolarHBondContact O-NH1 3.23Å
246I90Very high91.9Very high114 Ų11444.1 Ų44.159%0.58524%0.236SC*.THydrogen-bonded Turntrans-107.75.8177.763.4164.2000113.7L244L244-I246 HydrophobicContact CB-CG1 4.03Å; L244-I246 HydrophobicContact CD1-CG1 4.26Å; L244-I246 PolarHBondContact O-N 3.43Å
247S95.3Very high89.9Confident0 Ų047.7 Ų47.70%027%0.272CS..  trans-58.6141.4178.1-66.80000110.5L244 R273 S304 N305L244-S247 PolarHBondContact N-OG 2.9Å; L244-S247 WeakPolarHBondContact O-CB 3.41Å; L244-S247 PolarHBondContact O-N 3.48Å; L244-S247 PolarHBondContact O-OG 3.42Å; S247-R273 PolarHBondContact O-NH1 2.92Å; S247-R273 PolarHBondContact O-NH2 3.42Å; S247-S304 WeakPolarHBondContact CA-O 3.5Å; S247-N305 PolarHBondContact OG-OD1 3.48Å
248R97.1Very high87.3Confident104 Ų10449.2 Ų49.239%0.39228%0.284SS..EExtended strand (participates in β ladder)trans-117.4145.9176.9-57.1175.366.4-159.7-2108.5L250 E268 V303 S304R248-L250 HydrophobicContact CB-CD1 4.02Å; R248-E268 WeakPolarHBondContact CB-OE1 3.49Å; R248-E268 WeakPolarHBondContact CG-OE1 3.1Å; R248-E268 IonicContact CZ-OE1 3.01Å; R248-E268 IonicContact CZ-OE2 2.85Å; R248-E268 IonicContact NE-OE1 3.24Å; R248-E268 PolarHBondContact NE-OE1 3.02Å; R248-E268 IonicContact NE-OE2 3.5Å; R248-E268 PolarHBondContact NE-OE2 2.99Å; R248-E268 IonicContact NH2-OE2 3.71Å; R248-E268 PolarHBondContact NH2-OE2 2.95Å; R248-V303 CarbonylContact O-C 3.51Å; R248-V303 WeakPolarHBondContact O-CA 3.39Å; R248-S304 PolarHBondContact N-O 3.5Å; R248-S304 PolarHBondContact O-N 2.96Å
249V97.9Very high85.1Confident0 Ų055.9 Ų55.90%033%0.331CS..EExtended strand (participates in β ladder)trans-113.9123.8175.9179.90000107.9L238 F251 E268 A269 V271 L281 V283 L301 V303L238-V249 HydrophobicContact CD1-CB 4.44Å; L238-V249 HydrophobicContact CD1-CG1 3.72Å; L238-V249 HydrophobicContact CD1-CG2 3.81Å; V249-F251 HydrophobicContact CG1-CE2 4.28Å; V249-E268 WeakPolarHBondContact O-CA 3.37Å; V249-A269 HydrophobicContact CB-CB 4.17Å; V249-A269 HydrophobicContact CG1-CB 4.28Å; V249-A269 PolarHBondContact O-N 3.28Å; V249-V271 HydrophobicContact CG2-CG2 4.4Å; V249-L281 HydrophobicContact CG2-CD1 3.77Å; V249-V283 HydrophobicContact CB-CG1 4.11Å; V249-V283 HydrophobicContact CG1-CG2 4.36Å; V249-V283 HydrophobicContact CG2-CG1 3.65Å; V249-L301 HydrophobicContact CG1-CD1 3.36Å; V249-V303 HydrophobicContact CG2-CG2 4.15Å
250L97.5Very high83.2Confident7 Ų760.9 Ų60.94%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-121.5139.3-174-63.8101.7000111.2R248 E266 E267 L301 Y302R248-L250 HydrophobicContact CB-CD1 4.02Å; L250-E266 HydrophobicContact CD2-CG 3.86Å; L250-E267 WeakPolarHBondContact CA-O 2.98Å; L250-L301 CarbonylContact O-C 3.55Å; L250-L301 WeakPolarHBondContact O-CA 3.24Å; L250-Y302 HydrophobicContact CB-CD1 4.18Å; L250-Y302 HydrophobicContact CB-CE1 3.64Å; L250-Y302 HydrophobicContact CB-CE2 4.18Å; L250-Y302 HydrophobicContact CD1-CD2 4.37Å; L250-Y302 HydrophobicContact CD1-CE2 3.74Å; L250-Y302 HydrophobicContact CG-CE2 4.45Å; L250-Y302 PolarHBondContact N-O 2.87Å; L250-Y302 PolarHBondContact O-N 2.79Å
251F97.6Very high81.6Confident0 Ų062.4 Ų62.40%037%0.37CS..EExtended strand (participates in β ladder)trans-106.6133.6170.2-70.7-105.7000108.1L236 V249 W265 E266 E267 A269 V285 P286 V299 S300 L301 F316 Y318L236-F251 HydrophobicContact CD2-CZ 3.76Å; V249-F251 HydrophobicContact CG1-CE2 4.28Å; F251-W265 HydrophobicContact CB-CH2 3.74Å; F251-W265 HydrophobicContact CB-CZ3 3.66Å; F251-E266 CarbonylContact O-C 3.57Å; F251-E266 VanDerWaalsContact O-CA 3.24Å; F251-E266 WeakPolarHBondContact O-CA 3.28Å; F251-E267 PolarHBondContact N-O 3.08Å; F251-E267 PolarHBondContact O-N 2.68Å; F251-A269 HydrophobicContact CD2-CB 4.27Å; F251-A269 HydrophobicContact CE2-CB 3.89Å; F251-V285 HydrophobicContact CE1-CG1 4.07Å; F251-V285 HydrophobicContact CZ-CG1 3.9Å; F251-V285 HydrophobicContact CZ-CG2 4.27Å; F251-P286 HydrophobicContact CB-CG 4.49Å; F251-P286 HydrophobicContact CD2-CG 3.81Å; F251-P286 HydrophobicContact CE2-CG 4.32Å; F251-P286 HydrophobicContact CG-CG 4.23Å; F251-V299 HydrophobicContact CD1-CG2 3.95Å; F251-S300 CarbonylContact C-O 3.54Å; F251-S300 WeakPolarHBondContact CA-O 3.43Å; F251-L301 HydrophobicContact CD1-CD1 4.39Å; F251-L301 HydrophobicContact CD2-CD1 3.98Å; F251-L301 HydrophobicContact CE1-CD1 4.05Å; F251-L301 HydrophobicContact CE2-CD1 3.58Å; F251-L301 HydrophobicContact CG-CD1 4.36Å; F251-L301 HydrophobicContact CZ-CD1 3.63Å; F251-F316 HydrophobicContact CD1-CB 4.42Å; F251-F316 HydrophobicContact CD1-CD1 4.08Å; F251-F316 HydrophobicContact CD1-CG 4.27Å; F251-F316 HydrophobicContact CE1-CB 4.09Å; F251-F316 AromaticContact CE1-CD1 3.61Å; F251-F316 HydrophobicContact CE1-CD1 3.61Å; F251-F316 AromaticContact CE1-CD2 3.94Å; F251-F316 HydrophobicContact CE1-CD2 3.94Å; F251-F316 AromaticContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE2 4.25Å; F251-F316 AromaticContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CZ 4.27Å; F251-Y318 HydrophobicContact CD1-CE2 4.29Å
252M95.1Very high80.8Confident10 Ų1067.9 Ų67.95%0.04939%0.39CS..EExtended strand (participates in β ladder)trans-139.7138.6-176.269.7177.5-5100112.6R254 L263 W265 E266 V299 S300 Y302 T313M252-R254 HydrophobicContact CE-CG 4.25Å; M252-L263 HydrophobicContact CB-CD1 4.12Å; M252-L263 HydrophobicContact CE-CD1 3.59Å; M252-W265 CarbonylContact C-O 3.54Å; M252-W265 VanDerWaalsContact CA-O 3.27Å; M252-W265 WeakPolarHBondContact CA-O 3.43Å; M252-E266 HydrophobicContact CB-CB 4.45Å; M252-E266 HydrophobicContact CB-CG 4.4Å; M252-V299 CarbonylContact O-C 3.6Å; M252-V299 WeakPolarHBondContact O-CA 3.35Å; M252-V299 WeakPolarHBondContact O-CB 3.36Å; M252-S300 PolarHBondContact N-O 3.42Å; M252-S300 PolarHBondContact O-N 3.14Å; M252-Y302 HydrophobicContact CB-CE1 4.45Å; M252-Y302 HydrophobicContact CG-CD1 4.37Å; M252-Y302 HydrophobicContact CG-CE1 4.12Å; M252-Y302 HydrophobicContact SD-CD1 3.93Å; M252-Y302 HydrophobicContact SD-CE1 3.59Å; M252-Y302 VanDerWaalsContact SD-CE1 3.59Å; M252-T313 HydrophobicContact SD-CG2 4.49Å
253E93Very high80.5Confident25 Ų2569.2 Ų69.212%0.11740%0.397CS..EExtended strand (participates in β ladder)trans-113.5132.5171-169.9-176.6-166.500109.6Q264 W265 Y288 V297 V299E253-Q264 PolarHBondContact O-N 3.42Å; E253-Q264 PolarHBondContact OE2-NE2 3.28Å; E253-W265 HydrophobicContact CB-CB 4.13Å; E253-W265 HydrophobicContact CB-CE3 4.32Å; E253-W265 PolarHBondContact N-O 2.78Å; E253-W265 PolarHBondContact O-N 2.79Å; E253-Y288 VanDerWaalsContact CD-OH 3.26Å; E253-Y288 PolarHBondContact OE1-OH 3.12Å; E253-Y288 PolarHBondContact OE2-OH 2.87Å; E253-V297 WeakPolarHBondContact OE1-CG1 3.34Å; E253-V299 HydrophobicContact CB-CG1 4.14Å
254R86.5Confident80.2Confident148 Ų14874.8 Ų74.856%0.55842%0.423SS*.EExtended strand (participates in β ladder)trans-105.4133.1170.6-64.8-174.9-175.4179.81.9108.6M252M252-R254 HydrophobicContact CE-CG 4.25Å
255G76.1Confident80.3Confident17 Ų1774.1 Ų74.118%0.17542%0.418CS..  trans-63.1136.7-178.900000111.9K262 Q264G255-K262 PolarHBondContact N-O 2.9Å; G255-Q264 VanDerWaalsContact CA-OE1 3.31Å
256T62.2Low80.6Confident150 Ų15072.9 Ų72.992%0.9240%0.402SS*.SBendtrans-86-6.5-177.853.10000113.8
257G54.4Low80.9Confident74 Ų7471.8 Ų71.876%0.76340%0.395SS*.SBendtrans-100.5-5.8-166.100000117.5
258T44.6Very low81Confident91 Ų9175.1 Ų75.156%0.55841%0.41SS*.SBendtrans-135.2140.5174.358.40000109.7D260 G261T258-D260 PolarHBondContact O-N 2.91Å; T258-G261 PolarHBondContact O-N 3.07Å
259S50.5Low81Confident140 Ų14070.2 Ų70.298%0.97939%0.392SS*.THydrogen-bonded Turntrans-58.76178.149.70000115
260D58.9Low81Confident145 Ų14576.6 Ų76.678%0.77542%0.421SS*.THydrogen-bonded Turntrans-107.5-1.2-173.5-132.911.9000113.3T258 K262T258-D260 PolarHBondContact O-N 2.91Å; D260-K262 PolarHBondContact O-N 2.85Å
261G60.7Low81Confident36 Ų3676.8 Ų76.837%0.37142%0.423SS..  trans5630.6170.400000114.8T258 L263T258-G261 PolarHBondContact O-N 3.07Å; G261-L263 PolarHBondContact O-N 3Å
262K75.6Confident80.9Confident163 Ų16379 Ų7971%0.70944%0.435SS*.  trans-58.6136-173.7-168.8177178.4-177.20110.7G255 D260 Q264G255-K262 PolarHBondContact N-O 2.9Å; D260-K262 PolarHBondContact O-N 2.85Å; K262-Q264 PolarHBondContact O-N 3.49Å
263L83.1Confident80.9Confident85 Ų8583.7 Ų83.745%0.44545%0.452SS..EExtended strand (participates in β ladder)trans-61.6118.8175.3-17467.1000109.4M252 G261 W265 E266M252-L263 HydrophobicContact CB-CD1 4.12Å; M252-L263 HydrophobicContact CE-CD1 3.59Å; G261-L263 PolarHBondContact O-N 3Å; L263-W265 WeakPolarHBondContact CD1-O 3.37Å; L263-E266 HydrophobicContact CD1-CB 4.19Å; L263-E266 HydrophobicContact CD2-CB 3.98Å; L263-E266 HydrophobicContact CG-CB 4.4Å
264Q87.3Confident81Confident118 Ų11889.8 Ų89.855%0.55149%0.486SS*.EExtended strand (participates in β ladder)trans-95.6-37.9-179.3-177.7173.1-42.800110.9E253 G255 K262E253-Q264 PolarHBondContact O-N 3.42Å; E253-Q264 PolarHBondContact OE2-NE2 3.28Å; G255-Q264 VanDerWaalsContact CA-OE1 3.31Å; K262-Q264 PolarHBondContact O-N 3.49Å
265W93.6Very high81.3Confident22 Ų2287.7 Ų87.78%0.08349%0.485CS..EExtended strand (participates in β ladder)trans-152.3141.7179.5175.869.4000110F251 M252 E253 L263 E267 P286 Y288 S289 V299 Y318F251-W265 HydrophobicContact CB-CH2 3.74Å; F251-W265 HydrophobicContact CB-CZ3 3.66Å; M252-W265 CarbonylContact C-O 3.54Å; M252-W265 VanDerWaalsContact CA-O 3.27Å; M252-W265 WeakPolarHBondContact CA-O 3.43Å; E253-W265 HydrophobicContact CB-CB 4.13Å; E253-W265 HydrophobicContact CB-CE3 4.32Å; E253-W265 PolarHBondContact N-O 2.78Å; E253-W265 PolarHBondContact O-N 2.79Å; L263-W265 WeakPolarHBondContact CD1-O 3.37Å; W265-E267 HydrophobicContact CH2-CB 3.94Å; W265-E267 HydrophobicContact CZ2-CB 3.27Å; W265-E267 HydrophobicContact CZ2-CG 4.02Å; W265-P286 HydrophobicContact CH2-CG 4.49Å; W265-Y288 HydrophobicContact CD2-CD2 4.2Å; W265-Y288 HydrophobicContact CD2-CE2 4.2Å; W265-Y288 AromaticContact CE3-CD2 3.94Å; W265-Y288 HydrophobicContact CE3-CD2 3.94Å; W265-Y288 AromaticContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CH2-CD2 4.07Å; W265-Y288 HydrophobicContact CZ2-CD2 4.31Å; W265-Y288 AromaticContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CE2 4.29Å; W265-S289 VanDerWaalsContact CD1-CB 3.49Å; W265-V299 HydrophobicContact CE3-CG1 4.32Å; W265-V299 HydrophobicContact CZ3-CG1 4.07Å; W265-Y318 AromaticContact CH2-CE2 3.83Å; W265-Y318 HydrophobicContact CH2-CE2 3.83Å; W265-Y318 AromaticContact CZ3-CE2 3.96Å; W265-Y318 HydrophobicContact CZ3-CE2 3.96Å
266E94.9Very high82.3Confident81 Ų8188.1 Ų88.138%0.37949%0.486SS..EExtended strand (participates in β ladder)trans-146.6128.9169.8-176.9171.7-107.700108.7L250 F251 M252 L263 Y302L250-E266 HydrophobicContact CD2-CG 3.86Å; F251-E266 CarbonylContact O-C 3.57Å; F251-E266 VanDerWaalsContact O-CA 3.24Å; F251-E266 WeakPolarHBondContact O-CA 3.28Å; M252-E266 HydrophobicContact CB-CB 4.45Å; M252-E266 HydrophobicContact CB-CG 4.4Å; L263-E266 HydrophobicContact CD1-CB 4.19Å; L263-E266 HydrophobicContact CD2-CB 3.98Å; L263-E266 HydrophobicContact CG-CB 4.4Å; E266-Y302 PolarHBondContact OE1-OH 2.77Å
267E96.9Very high83.7Confident92 Ų9285.3 Ų85.343%0.4347%0.465SS..EExtended strand (participates in β ladder)trans-137.5143.1-178.7-163.463.3-130.200110.5L250 F251 W265 P286L250-E267 WeakPolarHBondContact CA-O 2.98Å; F251-E267 PolarHBondContact N-O 3.08Å; F251-E267 PolarHBondContact O-N 2.68Å; W265-E267 HydrophobicContact CH2-CB 3.94Å; W265-E267 HydrophobicContact CZ2-CB 3.27Å; W265-E267 HydrophobicContact CZ2-CG 4.02Å; E267-P286 HydrophobicContact CB-CB 4.39Å; E267-P286 HydrophobicContact CB-CG 4.24Å; E267-P286 HydrophobicContact CG-CB 3.73Å; E267-P286 HydrophobicContact CG-CG 4.11Å
268E97.4Very high85.4Confident70 Ų7088.4 Ų88.433%0.32746%0.46SS..EExtended strand (participates in β ladder)trans-91.6128.9175.8176.1173.5-158.200110.6R248 V249R248-E268 WeakPolarHBondContact CB-OE1 3.49Å; R248-E268 WeakPolarHBondContact CG-OE1 3.1Å; R248-E268 IonicContact CZ-OE1 3.01Å; R248-E268 IonicContact CZ-OE2 2.85Å; R248-E268 IonicContact NE-OE1 3.24Å; R248-E268 PolarHBondContact NE-OE1 3.02Å; R248-E268 IonicContact NE-OE2 3.5Å; R248-E268 PolarHBondContact NE-OE2 2.99Å; R248-E268 IonicContact NH2-OE2 3.71Å; R248-E268 PolarHBondContact NH2-OE2 2.95Å; V249-E268 WeakPolarHBondContact O-CA 3.37Å
269A97.5Very high87.8Confident1 Ų187.4 Ų87.41%0.00846%0.456CS..EExtended strand (participates in β ladder)trans-74.6145.2171.800000111.3V249 F251 V271 V283 R284V249-A269 HydrophobicContact CB-CB 4.17Å; V249-A269 HydrophobicContact CG1-CB 4.28Å; V249-A269 PolarHBondContact O-N 3.28Å; F251-A269 HydrophobicContact CD2-CB 4.27Å; F251-A269 HydrophobicContact CE2-CB 3.89Å; A269-V271 PolarHBondContact O-N 2.94Å; A269-V283 HydrophobicContact CB-CB 4.15Å; A269-V283 HydrophobicContact CB-CG2 4.15Å; A269-R284 WeakPolarHBondContact CB-O 3.36Å
270H97.4Very high90Very high133 Ų13383.1 Ų83.162%0.61642%0.421SS*.EExtended strand (participates in β ladder)trans-72.4118174.3176.3-79.7000110.1V283 R284H270-V283 CarbonylContact O-C 3.54Å; H270-V283 WeakPolarHBondContact O-CA 3.27Å; H270-V283 WeakPolarHBondContact O-CB 3.46Å; H270-R284 HydrophobicContact CB-CB 4.36Å; H270-R284 PolarHBondContact N-O 2.79Å; H270-R284 PolarHBondContact O-N 2.91Å
271V97.5Very high91.9Very high12 Ų1276.3 Ų76.37%0.07339%0.385CS..EExtended strand (participates in β ladder)trans-90.5122177.8-174.40000110.1V249 A269 R273 L281 V283V249-V271 HydrophobicContact CG2-CG2 4.4Å; A269-V271 PolarHBondContact O-N 2.94Å; V271-R273 PolarHBondContact O-N 2.92Å; V271-L281 HydrophobicContact CG1-CD2 4.17Å; V271-V283 HydrophobicContact CB-CG1 4.25Å; V271-V283 HydrophobicContact CG1-CG1 4.26Å; V271-V283 HydrophobicContact CG2-CG1 3.84Å
272D96.5Very high93.6Very high47 Ų4774.9 Ų74.925%0.25137%0.37SS..EExtended strand (participates in β ladder)trans-74.9103167.7-177.3-13.9000109.1D274 N275 S276 C282D272-D274 VanDerWaalsContact C-N 3.33Å; D272-D274 PolarHBondContact OD1-N 2.61Å; D272-D274 VanDerWaalsContact OD1-N 3.07Å; D272-N275 PolarHBondContact OD1-N 3.38Å; D272-N275 PolarHBondContact OD2-ND2 3.09Å; D272-S276 VanDerWaalsContact O-CB 3.25Å; D272-S276 WeakPolarHBondContact O-CB 3.2Å; D272-S276 PolarHBondContact O-N 3.4Å; D272-S276 PolarHBondContact O-OG 3.46Å; D272-C282 HydrophobicContact CB-CB 4.25Å; D272-C282 PolarHBondContact N-O 2.72Å
273R94.3Very high94.7Very high107 Ų10767.3 Ų67.340%0.40434%0.337SS..SBendtrans-73.1-25.7-174.6-62.7-68-176.7-170.5-6.4112.9P245 S247 V271P245-R273 PolarHBondContact O-NH1 3.23Å; S247-R273 PolarHBondContact O-NH1 2.92Å; S247-R273 PolarHBondContact O-NH2 3.42Å; V271-R273 PolarHBondContact O-N 2.92Å
274D94.7Very high95.4Very high154 Ų15470.2 Ų70.282%0.82434%0.342SS*.THydrogen-bonded Turntrans-77.1-29.8-177.5-65.3-29.5000111D272D272-D274 VanDerWaalsContact C-N 3.33Å; D272-D274 PolarHBondContact OD1-N 2.61Å; D272-D274 VanDerWaalsContact OD1-N 3.07Å
275N94.1Very high95.9Very high103 Ų10364.8 Ų64.855%0.55132%0.317SS*.THydrogen-bonded Turntrans-100.19.3177.5-67.4-52.4000114D272 C282D272-N275 PolarHBondContact OD1-N 3.38Å; D272-N275 PolarHBondContact OD2-ND2 3.09Å; N275-C282 HydrophobicContact CB-CB 4.14Å
276S95.4Very high96.1Very high26 Ų2664.6 Ų64.618%0.18232%0.318CS..  trans-109.4150.5179.7-67.30000112.5D272 L280 C282D272-S276 VanDerWaalsContact O-CB 3.25Å; D272-S276 WeakPolarHBondContact O-CB 3.2Å; D272-S276 PolarHBondContact O-N 3.4Å; D272-S276 PolarHBondContact O-OG 3.46Å; S276-L280 CarbonylContact C-O 3.56Å; S276-L280 WeakPolarHBondContact CA-O 3.34Å; S276-C282 PolarHBondContact OG-N 3.36Å
277N93.1Very high96.2Very high91 Ų9163.1 Ų63.149%0.48732%0.32SS..  trans-146.5-170.3175.565.357.1000111.6C279 L280N277-C279 PolarHBondContact O-N 2.85Å; N277-C279 VanDerWaalsContact O-N 3.15Å; N277-C279 PolarHBondContact OD1-N 2.89Å; N277-L280 PolarHBondContact N-O 3.04Å; N277-L280 PolarHBondContact O-N 3.11Å; N277-L280 VanDerWaalsContact O-O 3.11Å; N277-L280 PolarHBondContact OD1-N 3.01Å
278E89.9Confident96.2Very high139 Ų13959.3 Ų59.365%0.6530%0.302SS*.SBendtrans-65.9-14.5-175.7-60.5-17316500114.5F243F243-E278 WeakPolarHBondContact CB-O 3.29Å; F243-E278 PolarHBondContact N-O 3.24Å; F243-E278 VanDerWaalsContact N-O 3.08Å; F243-E278 WeakPolarHBondContact O-CA 3.24Å
279C93.8Very high96Very high71 Ų7159.5 Ų59.548%0.4831%0.311SS..SBendtrans-122.5-7.6-178.8-56.20000114.4S239 G240 N277S239-C279 CarbonylContact C-O 3.54Å; S239-C279 WeakPolarHBondContact CA-O 3.38Å; G240-C279 PolarHBondContact N-O 3.08Å; G240-C279 WeakPolarHBondContact O-CA 3.48Å; G240-C279 WeakPolarHBondContact O-CB 3.36Å; N277-C279 PolarHBondContact O-N 2.85Å; N277-C279 VanDerWaalsContact O-N 3.15Å; N277-C279 PolarHBondContact OD1-N 2.89Å
280L97.2Very high95.7Very high49 Ų4962.7 Ų62.726%0.25733%0.328SS..EExtended strand (participates in β ladder)trans-140.4128.7-177.8-174.272.8000110.7L237 L238 S239 S276 N277L237-L280 HydrophobicContact CB-CD1 4.32Å; L238-L280 CarbonylContact O-C 3.57Å; L238-L280 WeakPolarHBondContact O-CA 3.26Å; S239-L280 WeakPolarHBondContact OG-CD1 3.5Å; S276-L280 CarbonylContact C-O 3.56Å; S276-L280 WeakPolarHBondContact CA-O 3.34Å; N277-L280 PolarHBondContact N-O 3.04Å; N277-L280 PolarHBondContact O-N 3.11Å; N277-L280 VanDerWaalsContact O-O 3.11Å; N277-L280 PolarHBondContact OD1-N 3.01Å
281L98.3Very high95.5Very high2 Ų260.7 Ų60.71%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-112.6123.7168-65.5172.5000109.7L237 L238 F243 V249 V271 V283 V303L237-L281 WeakPolarHBondContact CA-O 2.89Å; L238-L281 HydrophobicContact CB-CB 4.32Å; L238-L281 PolarHBondContact N-O 3.27Å; L238-L281 PolarHBondContact O-N 3.09Å; F243-L281 HydrophobicContact CB-CD1 4.39Å; F243-L281 HydrophobicContact CB-CD2 4.27Å; F243-L281 HydrophobicContact CB-CG 4.23Å; F243-L281 HydrophobicContact CD1-CD1 4.04Å; F243-L281 HydrophobicContact CD2-CD1 4.06Å; F243-L281 HydrophobicContact CD2-CD2 4.49Å; F243-L281 HydrophobicContact CD2-CG 3.67Å; F243-L281 HydrophobicContact CE1-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CG 4.12Å; F243-L281 HydrophobicContact CG-CD1 3.9Å; F243-L281 HydrophobicContact CG-CD2 4.48Å; F243-L281 HydrophobicContact CG-CG 3.89Å; F243-L281 HydrophobicContact CZ-CD1 4.47Å; V249-L281 HydrophobicContact CG2-CD1 3.77Å; V271-L281 HydrophobicContact CG1-CD2 4.17Å; L281-V283 HydrophobicContact CB-CG1 4.27Å; L281-V303 HydrophobicContact CD1-CG1 3.92Å; L281-V303 HydrophobicContact CD1-CG2 3.87Å
282C97.9Very high95.2Very high7 Ų764.8 Ų64.85%0.04735%0.35CS..EExtended strand (participates in β ladder)trans-95.5119.1167.9-177.10000108.7L237 D272 N275 S276L237-C282 HydrophobicContact CD2-CB 3.86Å; D272-C282 HydrophobicContact CB-CB 4.25Å; D272-C282 PolarHBondContact N-O 2.72Å; N275-C282 HydrophobicContact CB-CB 4.14Å; S276-C282 PolarHBondContact OG-N 3.36Å
283V97.9Very high94.9Very high3 Ų363.7 Ų63.72%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-132.3154.8-177.8-49.10000112.2L236 V249 A269 H270 V271 L281L236-V283 HydrophobicContact CB-CG2 3.76Å; L236-V283 HydrophobicContact CD2-CG2 4Å; L236-V283 HydrophobicContact CG-CG2 4.07Å; L236-V283 PolarHBondContact N-O 3.29Å; L236-V283 PolarHBondContact O-N 2.89Å; V249-V283 HydrophobicContact CB-CG1 4.11Å; V249-V283 HydrophobicContact CG1-CG2 4.36Å; V249-V283 HydrophobicContact CG2-CG1 3.65Å; A269-V283 HydrophobicContact CB-CB 4.15Å; A269-V283 HydrophobicContact CB-CG2 4.15Å; H270-V283 CarbonylContact O-C 3.54Å; H270-V283 WeakPolarHBondContact O-CA 3.27Å; H270-V283 WeakPolarHBondContact O-CB 3.46Å; V271-V283 HydrophobicContact CB-CG1 4.25Å; V271-V283 HydrophobicContact CG1-CG1 4.26Å; V271-V283 HydrophobicContact CG2-CG1 3.84Å; L281-V283 HydrophobicContact CB-CG1 4.27Å
284R98.1Very high94.8Very high146 Ų14663.8 Ų63.855%0.55136%0.362SS*.EExtended strand (participates in β ladder)trans-98.6122.5169.1-170.5171.2-66.7-95.41.2109.5G233 E234 A269 H270G233-R284 WeakPolarHBondContact O-CG 3.35Å; G233-R284 PolarHBondContact O-NH1 2.92Å; E234-R284 WeakPolarHBondContact O-CA 3.4Å; A269-R284 WeakPolarHBondContact CB-O 3.36Å; H270-R284 HydrophobicContact CB-CB 4.36Å; H270-R284 PolarHBondContact N-O 2.79Å; H270-R284 PolarHBondContact O-N 2.91Å
285V97.9Very high94.6Very high4 Ų465.7 Ų65.72%0.02436%0.358CS..PPolyproline II helixtrans-61.7128.7-179.6-175.90000109.3C228 G233 E234 L236 F251 F316 Y318C228-V285 VanDerWaalsContact SG-CG1 3.57Å; G233-V285 PolarHBondContact N-O 3.21Å; E234-V285 WeakPolarHBondContact O-CG2 3.29Å; E234-V285 PolarHBondContact O-N 3.09Å; L236-V285 HydrophobicContact CB-CG2 3.74Å; L236-V285 HydrophobicContact CD2-CG2 4.11Å; F251-V285 HydrophobicContact CE1-CG1 4.07Å; F251-V285 HydrophobicContact CZ-CG1 3.9Å; F251-V285 HydrophobicContact CZ-CG2 4.27Å; V285-F316 HydrophobicContact CG1-CE1 4.05Å; V285-F316 HydrophobicContact CG1-CZ 3.93Å; V285-F316 HydrophobicContact CG2-CZ 4.21Å; V285-Y318 HydrophobicContact CG1-CE1 3.91Å; V285-Y318 VanDerWaalsContact CG1-OH 3.28Å; V285-Y318 WeakPolarHBondContact CG1-OH 3.12Å
286P97.4Very high94.6Very high18 Ų1863.4 Ų63.412%0.11735%0.349CS..PPolyproline II helixtrans-70.7160.7179.429-33.3000111.4F251 W265 E267 Y318F251-P286 HydrophobicContact CB-CG 4.49Å; F251-P286 HydrophobicContact CD2-CG 3.81Å; F251-P286 HydrophobicContact CE2-CG 4.32Å; F251-P286 HydrophobicContact CG-CG 4.23Å; W265-P286 HydrophobicContact CH2-CG 4.49Å; E267-P286 HydrophobicContact CB-CB 4.39Å; E267-P286 HydrophobicContact CB-CG 4.24Å; E267-P286 HydrophobicContact CG-CB 3.73Å; E267-P286 HydrophobicContact CG-CG 4.11Å; P286-Y318 WeakPolarHBondContact O-CE1 3.05Å; P286-Y318 PolarHBondContact O-OH 2.85Å
287A97Very high94.6Very high50 Ų5062.9 Ų62.941%0.41335%0.345SS..PPolyproline II helixtrans-68.8143.7169.100000110.1E231 L291E231-A287 WeakPolarHBondContact O-CB 3.13Å; A287-L291 HydrophobicContact CB-CD2 4.43Å
288Y96.4Very high94.6Very high13 Ų1362 Ų625%0.05135%0.345CS..PPolyproline II helixtrans-73.4152.5174-177.1-116000111V230 E253 W265 D290 L291 V293 V297 V299 Y318V230-Y288 HydrophobicContact CG1-CD1 4.42Å; V230-Y288 PolarHBondContact O-N 2.9Å; E253-Y288 VanDerWaalsContact CD-OH 3.26Å; E253-Y288 PolarHBondContact OE1-OH 3.12Å; E253-Y288 PolarHBondContact OE2-OH 2.87Å; W265-Y288 HydrophobicContact CD2-CD2 4.2Å; W265-Y288 HydrophobicContact CD2-CE2 4.2Å; W265-Y288 AromaticContact CE3-CD2 3.94Å; W265-Y288 HydrophobicContact CE3-CD2 3.94Å; W265-Y288 AromaticContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CH2-CD2 4.07Å; W265-Y288 HydrophobicContact CZ2-CD2 4.31Å; W265-Y288 AromaticContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CE2 4.29Å; Y288-D290 VanDerWaalsContact C-N 3.33Å; Y288-D290 HydrophobicContact CD1-CB 4.44Å; Y288-D290 VanDerWaalsContact CD1-O 3.23Å; Y288-D290 WeakPolarHBondContact CD1-O 3.35Å; Y288-D290 HydrophobicContact CE1-CB 4.02Å; Y288-D290 PolarHBondContact O-N 2.94Å; Y288-L291 WeakPolarHBondContact O-CD2 3.4Å; Y288-V293 HydrophobicContact CD1-CG1 4.47Å; Y288-V293 HydrophobicContact CE1-CG1 3.9Å; Y288-V297 HydrophobicContact CE1-CB 4.35Å; Y288-V297 HydrophobicContact CE1-CG1 4.27Å; Y288-V297 HydrophobicContact CE1-CG2 3.87Å; Y288-V297 HydrophobicContact CE2-CG1 4.01Å; Y288-V299 HydrophobicContact CE2-CG1 4.35Å; Y288-Y318 AromaticContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CE2 4.14Å; Y288-Y318 HydrophobicContact CD2-CG 4.43Å; Y288-Y318 HydrophobicContact CG-CD2 4.01Å; Y288-Y318 HydrophobicContact CG-CG 4.15Å
289S93.7Very high94.9Very high74 Ų7455.5 Ų55.552%0.51732%0.315SS..SBendtrans-64.6-33-17352.30000114.3W265W265-S289 VanDerWaalsContact CD1-CB 3.49Å
290D91.8Very high95Very high67 Ų6754 Ų5436%0.35831%0.305SS..  trans-117101.2175.2-179.89.8000110.8Y288 S292 V293Y288-D290 VanDerWaalsContact C-N 3.33Å; Y288-D290 HydrophobicContact CD1-CB 4.44Å; Y288-D290 VanDerWaalsContact CD1-O 3.23Å; Y288-D290 WeakPolarHBondContact CD1-O 3.35Å; Y288-D290 HydrophobicContact CE1-CB 4.02Å; Y288-D290 PolarHBondContact O-N 2.94Å; D290-S292 PolarHBondContact O-N 2.8Å; D290-S292 WeakPolarHBondContact OD1-CA 3.26Å; D290-S292 WeakPolarHBondContact OD1-CB 3.48Å; D290-S292 PolarHBondContact OD1-N 2.89Å; D290-S292 PolarHBondContact OD1-OG 2.83Å; D290-V293 HydrophobicContact CB-CG1 4.02Å; D290-V293 WeakPolarHBondContact O-CG1 3.3Å
291L92.5Very high95Very high91 Ų9151.6 Ų51.648%0.47629%0.293SS..THydrogen-bonded Turntrans-73.5-10.1178.4-55.7-178.3000113.2V230 A287 Y288V230-L291 HydrophobicContact CB-CD2 4.12Å; V230-L291 HydrophobicContact CG2-CD2 4.31Å; V230-L291 WeakPolarHBondContact O-CD2 3.29Å; A287-L291 HydrophobicContact CB-CD2 4.43Å; Y288-L291 WeakPolarHBondContact O-CD2 3.4Å
292S91.8Very high94.9Very high98 Ų9852.1 Ų52.169%0.68530%0.295SS*.THydrogen-bonded Turntrans-94.24.5-175.975.10000114.1D290 S294D290-S292 PolarHBondContact O-N 2.8Å; D290-S292 WeakPolarHBondContact OD1-CA 3.26Å; D290-S292 WeakPolarHBondContact OD1-CB 3.48Å; D290-S292 PolarHBondContact OD1-N 2.89Å; D290-S292 PolarHBondContact OD1-OG 2.83Å; S292-S294 PolarHBondContact O-N 2.96Å
293V90.8Very high94.9Very high25 Ų2551.8 Ų51.815%0.15229%0.293CS..  trans-56.1136.5179.6-680000111.9V230 Y288 D290 V297 P320V230-V293 HydrophobicContact CG1-CG2 3.42Å; V230-V293 VanDerWaalsContact CG1-CG2 3.42Å; Y288-V293 HydrophobicContact CD1-CG1 4.47Å; Y288-V293 HydrophobicContact CE1-CG1 3.9Å; D290-V293 HydrophobicContact CB-CG1 4.02Å; D290-V293 WeakPolarHBondContact O-CG1 3.3Å; V293-V297 HydrophobicContact CB-CG2 4.16Å; V293-V297 HydrophobicContact CG1-CG2 3.9Å; V293-V297 HydrophobicContact CG2-CG2 4.1Å; V293-P320 HydrophobicContact CG2-CG 4.47Å; V293-P320 VanDerWaalsContact O-CB 3.22Å; V293-P320 WeakPolarHBondContact O-CB 3.44Å; V293-P320 WeakPolarHBondContact O-CG 3.34Å
294S91.1Very high94.8Very high108 Ų10852.2 Ų52.276%0.75530%0.296SS*.SBendtrans-95.2-6.7179.757.80000113.5S292S292-S294 PolarHBondContact O-N 2.96Å
295R91.3Very high94.5Very high194 Ų19445.5 Ų45.573%0.73227%0.271SS*.SBendtrans-135.2153.3-177.7-63.7-179.766.8164.50.9110.5V297R295-V297 PolarHBondContact O-N 2.77Å
296P94Very high93.8Very high55 Ų5546.8 Ų46.836%0.35729%0.285SS..PPolyproline II helixtrans-56.3132.7173.4-27.536.5000112.4Y318 L319 F323P296-Y318 CarbonylContact C-O 3.51Å; P296-Y318 VanDerWaalsContact CA-O 3.26Å; P296-Y318 WeakPolarHBondContact CA-O 3.14Å; P296-L319 HydrophobicContact CB-CD2 3.98Å; P296-L319 HydrophobicContact CG-CD2 3.99Å; P296-F323 HydrophobicContact CG-CD2 4.43Å; P296-F323 HydrophobicContact CG-CE2 3.77Å; P296-F323 HydrophobicContact CG-CZ 3.83Å
297V94.3Very high92.8Very high16 Ų1656.2 Ų56.210%0.09732%0.324CS..EExtended strand (participates in β ladder)trans-103.7127.7177.5-177.20000108.9E253 Y288 V293 R295 V299 K317 Y318E253-V297 WeakPolarHBondContact OE1-CG1 3.34Å; Y288-V297 HydrophobicContact CE1-CB 4.35Å; Y288-V297 HydrophobicContact CE1-CG1 4.27Å; Y288-V297 HydrophobicContact CE1-CG2 3.87Å; Y288-V297 HydrophobicContact CE2-CG1 4.01Å; V293-V297 HydrophobicContact CB-CG2 4.16Å; V293-V297 HydrophobicContact CG1-CG2 3.9Å; V293-V297 HydrophobicContact CG2-CG2 4.1Å; R295-V297 PolarHBondContact O-N 2.77Å; V297-V299 HydrophobicContact CG1-CG1 4.14Å; V297-K317 CarbonylContact O-C 3.6Å; V297-K317 VanDerWaalsContact O-CA 3.26Å; V297-K317 WeakPolarHBondContact O-CA 3.23Å; V297-Y318 PolarHBondContact N-O 3.3Å; V297-Y318 PolarHBondContact O-N 2.86Å
298S94.4Very high91.9Very high72 Ų7265.1 Ų65.150%0.50335%0.347SS..EExtended strand (participates in β ladder)trans-96.3124.1176.8-60.20000110.3
299V95.9Very high91.5Very high3 Ų366.8 Ų66.82%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-121.4165.8178.4-56.50000109.9F251 M252 E253 W265 Y288 V297 F316 Y318F251-V299 HydrophobicContact CD1-CG2 3.95Å; M252-V299 CarbonylContact O-C 3.6Å; M252-V299 WeakPolarHBondContact O-CA 3.35Å; M252-V299 WeakPolarHBondContact O-CB 3.36Å; E253-V299 HydrophobicContact CB-CG1 4.14Å; W265-V299 HydrophobicContact CE3-CG1 4.32Å; W265-V299 HydrophobicContact CZ3-CG1 4.07Å; Y288-V299 HydrophobicContact CE2-CG1 4.35Å; V297-V299 HydrophobicContact CG1-CG1 4.14Å; V299-F316 HydrophobicContact CG2-CB 3.97Å; V299-F316 HydrophobicContact CG2-CD1 4.09Å; V299-F316 WeakPolarHBondContact CG2-O 3.46Å; V299-F316 PolarHBondContact N-O 2.6Å; V299-F316 PolarHBondContact O-N 2.93Å; V299-F316 VanDerWaalsContact O-O 3.1Å; V299-Y318 HydrophobicContact CG1-CD2 4.1Å; V299-Y318 HydrophobicContact CG1-CE2 4.35Å; V299-Y318 HydrophobicContact CG2-CD2 4.03Å; V299-Y318 HydrophobicContact CG2-CE2 3.86Å
300S95.8Very high91.4Very high38 Ų3869.6 Ų69.627%0.26635%0.353SS..EExtended strand (participates in β ladder)trans-104.5138.3173.9-64.20000110.4F251 M252 H314F251-S300 CarbonylContact C-O 3.54Å; F251-S300 WeakPolarHBondContact CA-O 3.43Å; M252-S300 PolarHBondContact N-O 3.42Å; M252-S300 PolarHBondContact O-N 3.14Å; S300-H314 CarbonylContact C-O 3.54Å; S300-H314 WeakPolarHBondContact CA-O 3.36Å
301L96.9Very high91.6Very high0 Ų066.9 Ų66.90%034%0.34CS..EExtended strand (participates in β ladder)trans-112.5135.3178.6169.764.5000109.5V223 L236 L238 V249 L250 F251 T313 H314 F316V223-L301 HydrophobicContact CG1-CD2 4.1Å; L236-L301 HydrophobicContact CD2-CD2 3.97Å; L238-L301 HydrophobicContact CD2-CD2 3.91Å; V249-L301 HydrophobicContact CG1-CD1 3.36Å; L250-L301 CarbonylContact O-C 3.55Å; L250-L301 WeakPolarHBondContact O-CA 3.24Å; F251-L301 HydrophobicContact CD1-CD1 4.39Å; F251-L301 HydrophobicContact CD2-CD1 3.98Å; F251-L301 HydrophobicContact CE1-CD1 4.05Å; F251-L301 HydrophobicContact CE2-CD1 3.58Å; F251-L301 HydrophobicContact CG-CD1 4.36Å; F251-L301 HydrophobicContact CZ-CD1 3.63Å; L301-T313 CarbonylContact O-C 3.49Å; L301-T313 VanDerWaalsContact O-CA 3.3Å; L301-T313 WeakPolarHBondContact O-CA 3.26Å; L301-H314 HydrophobicContact CB-CB 4.36Å; L301-H314 PolarHBondContact N-O 3.25Å; L301-H314 PolarHBondContact O-N 3.2Å; L301-F316 HydrophobicContact CB-CB 4.45Å
302Y96.9Very high91.5Very high13 Ų1366.2 Ų66.25%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-151.4158173.268.9-84.7000113.2L250 M252 E266 R310 T313L250-Y302 HydrophobicContact CB-CD1 4.18Å; L250-Y302 HydrophobicContact CB-CE1 3.64Å; L250-Y302 HydrophobicContact CB-CE2 4.18Å; L250-Y302 HydrophobicContact CD1-CD2 4.37Å; L250-Y302 HydrophobicContact CD1-CE2 3.74Å; L250-Y302 HydrophobicContact CG-CE2 4.45Å; L250-Y302 PolarHBondContact N-O 2.87Å; L250-Y302 PolarHBondContact O-N 2.79Å; M252-Y302 HydrophobicContact CB-CE1 4.45Å; M252-Y302 HydrophobicContact CG-CD1 4.37Å; M252-Y302 HydrophobicContact CG-CE1 4.12Å; M252-Y302 HydrophobicContact SD-CD1 3.93Å; M252-Y302 HydrophobicContact SD-CE1 3.59Å; M252-Y302 VanDerWaalsContact SD-CE1 3.59Å; E266-Y302 PolarHBondContact OE1-OH 2.77Å; Y302-R310 HydrophobicContact CD2-CB 3.74Å; Y302-R310 HydrophobicContact CE2-CB 4Å; Y302-T313 HydrophobicContact CD1-CG2 4.36Å
303V97.6Very high91.7Very high0 Ų065.1 Ų65.10%033%0.332CS..EExtended strand (participates in β ladder)trans-98.8139.4173.1177.70000109.4P218 I220 L238 F243 R248 V249 L281 R310 S311P218-V303 HydrophobicContact CB-CB 4Å; P218-V303 HydrophobicContact CB-CG1 3.63Å; P218-V303 HydrophobicContact CG-CB 4.19Å; P218-V303 HydrophobicContact CG-CG1 3.95Å; P218-V303 WeakPolarHBondContact CG-O 3.22Å; I220-V303 HydrophobicContact CD1-CB 4.4Å; I220-V303 HydrophobicContact CD1-CG2 3.73Å; I220-V303 HydrophobicContact CG1-CB 4.35Å; I220-V303 HydrophobicContact CG1-CG2 3.68Å; L238-V303 HydrophobicContact CD1-CG2 3.85Å; F243-V303 HydrophobicContact CD1-CG1 3.86Å; F243-V303 HydrophobicContact CE1-CB 4.19Å; F243-V303 HydrophobicContact CE1-CG1 3.98Å; F243-V303 HydrophobicContact CE1-CG2 3.89Å; F243-V303 HydrophobicContact CZ-CG2 4.38Å; R248-V303 CarbonylContact O-C 3.51Å; R248-V303 WeakPolarHBondContact O-CA 3.39Å; V249-V303 HydrophobicContact CG2-CG2 4.15Å; L281-V303 HydrophobicContact CD1-CG1 3.92Å; L281-V303 HydrophobicContact CD1-CG2 3.87Å; V303-R310 CarbonylContact O-C 3.54Å; V303-R310 VanDerWaalsContact O-CA 3.26Å; V303-R310 WeakPolarHBondContact O-CA 3.42Å; V303-S311 PolarHBondContact N-OG 3.37Å; V303-S311 PolarHBondContact O-N 3.16Å
304S95.3Very high91.9Very high12 Ų1266.4 Ų66.48%0.08434%0.336CS..EExtended strand (participates in β ladder)trans-127.4124.6-178.6-175.90000112.1S247 R248 G306 K309S247-S304 WeakPolarHBondContact CA-O 3.5Å; R248-S304 PolarHBondContact N-O 3.5Å; R248-S304 PolarHBondContact O-N 2.96Å; S304-G306 PolarHBondContact O-N 3.36Å; S304-G306 PolarHBondContact OG-O 2.9Å; S304-K309 CarbonylContact C-O 3.55Å; S304-K309 WeakPolarHBondContact CA-O 3.29Å
305N91.9Very high92.1Very high5 Ų565.1 Ų65.13%0.02733%0.326CS..SBendtrans-99.851.6173-71-5.9000110.2P218 N242 L244 S247 K309P218-N305 HydrophobicContact CG-CB 4.42Å; N242-N305 PolarHBondContact O-ND2 2.89Å; L244-N305 HydrophobicContact CD1-CB 3.73Å; S247-N305 PolarHBondContact OG-OD1 3.48Å; N305-K309 HydrophobicContact CB-CB 4.06Å; N305-K309 PolarHBondContact N-O 3.5Å
306G83.5Confident92.4Very high31 Ų3155.9 Ų55.932%0.3229%0.291SS..SBendtrans93.5178.8-175.400000113.9S304 R308 K309S304-G306 PolarHBondContact O-N 3.36Å; S304-G306 PolarHBondContact OG-O 2.9Å; G306-R308 VanDerWaalsContact C-N 3.25Å; G306-R308 PolarHBondContact O-N 2.63Å; G306-K309 PolarHBondContact O-N 3.48Å
307K76.6Confident92.5Very high216 Ų21657.8 Ų57.894%0.93929%0.294SS*.THydrogen-bonded Turntrans-54.3-27.3-161.1-66.7-173.6178.6-177.70117.2
308R77.1Confident92.6Very high237 Ų23757 Ų5789%0.89429%0.289SS*.THydrogen-bonded Turntrans-1235.5-173.8-60.6-171.6-168.8-179.83.6114.2G306G306-R308 VanDerWaalsContact C-N 3.25Å; G306-R308 PolarHBondContact O-N 2.63Å
309K88.3Confident92.7Very high47 Ų4755.9 Ų55.920%0.20428%0.278CS..  trans-122.195.1-173.2-58.2-176.4-159.7175.10109.4A214 Q215 L217 S304 N305 G306A214-K309 VanDerWaalsContact O-CD 3.27Å; A214-K309 WeakPolarHBondContact O-CD 3.48Å; A214-K309 WeakPolarHBondContact O-CE 3.49Å; A214-K309 PolarHBondContact O-NZ 3.29Å; Q215-K309 HydrophobicContact CB-CD 4.09Å; L217-K309 HydrophobicContact CD2-CB 3.83Å; L217-K309 HydrophobicContact CD2-CG 4.26Å; S304-K309 CarbonylContact C-O 3.55Å; S304-K309 WeakPolarHBondContact CA-O 3.29Å; N305-K309 HydrophobicContact CB-CB 4.06Å; N305-K309 PolarHBondContact N-O 3.5Å; G306-K309 PolarHBondContact O-N 3.48Å
310R92.8Very high92.6Very high133 Ų13356.3 Ų56.350%0.50228%0.28SS..BIsolated β-bridgetrans-123.4153-177.963.4-178.8125.2-163.7-0.7111.3Y302 V303Y302-R310 HydrophobicContact CD2-CB 3.74Å; Y302-R310 HydrophobicContact CE2-CB 4Å; V303-R310 CarbonylContact O-C 3.54Å; V303-R310 VanDerWaalsContact O-CA 3.26Å; V303-R310 WeakPolarHBondContact O-CA 3.42Å
311S94.4Very high91.9Very high10 Ų1058.3 Ų58.37%0.0729%0.291CS..  trans-70.1175.1169.4680000111.4P218 V303P218-S311 WeakPolarHBondContact O-CA 3.22Å; P218-S311 WeakPolarHBondContact O-CB 3.33Å; V303-S311 PolarHBondContact N-OG 3.37Å; V303-S311 PolarHBondContact O-N 3.16Å
312S92.1Very high90.6Very high77 Ų7765.6 Ų65.654%0.53833%0.33SS..  trans-58.2156.2156.150.70000110.5
313T94.6Very high88.9Confident75 Ų7570.1 Ų70.146%0.4635%0.35SS..  trans-86.7143.9175.551.80000110.3M252 L301 Y302M252-T313 HydrophobicContact SD-CG2 4.49Å; L301-T313 CarbonylContact O-C 3.49Å; L301-T313 VanDerWaalsContact O-CA 3.3Å; L301-T313 WeakPolarHBondContact O-CA 3.26Å; Y302-T313 HydrophobicContact CD1-CG2 4.36Å
314H95.1Very high86.6Confident52 Ų5279.4 Ų79.424%0.24139%0.39CS..EExtended strand (participates in β ladder)trans-114.7148.6174.2-78-101.9000109.6I220 V223 S300 L301I220-H314 WeakPolarHBondContact CB-NE2 3.45Å; I220-H314 PolarHBondContact O-NE2 3.4Å; V223-H314 HydrophobicContact CG2-CB 4.42Å; S300-H314 CarbonylContact C-O 3.54Å; S300-H314 WeakPolarHBondContact CA-O 3.36Å; L301-H314 HydrophobicContact CB-CB 4.36Å; L301-H314 PolarHBondContact N-O 3.25Å; L301-H314 PolarHBondContact O-N 3.2Å
315C95.4Very high84.3Confident81 Ų8187.1 Ų87.155%0.54743%0.425SS..EExtended strand (participates in β ladder)trans-80.7134.2178.6-175.90000110.5
316F97.1Very high81.6Confident0 Ų090.6 Ų90.60%045%0.45CS..EExtended strand (participates in β ladder)trans-135.1151.1171.5-171-86.3000109.8V225 T226 C228 F251 V285 V299 L301 Y318V225-F316 WeakPolarHBondContact O-CE2 3.15Å; T226-F316 CarbonylContact O-C 3.43Å; T226-F316 WeakPolarHBondContact O-CA 3.04Å; C228-F316 HydrophobicContact CB-CE1 4.37Å; C228-F316 HydrophobicContact CB-CZ 3.91Å; C228-F316 VanDerWaalsContact SG-CE1 3.53Å; C228-F316 VanDerWaalsContact SG-CZ 3.52Å; F251-F316 HydrophobicContact CD1-CB 4.42Å; F251-F316 HydrophobicContact CD1-CD1 4.08Å; F251-F316 HydrophobicContact CD1-CG 4.27Å; F251-F316 HydrophobicContact CE1-CB 4.09Å; F251-F316 AromaticContact CE1-CD1 3.61Å; F251-F316 HydrophobicContact CE1-CD1 3.61Å; F251-F316 AromaticContact CE1-CD2 3.94Å; F251-F316 HydrophobicContact CE1-CD2 3.94Å; F251-F316 AromaticContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE2 4.25Å; F251-F316 AromaticContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CZ 4.27Å; V285-F316 HydrophobicContact CG1-CE1 4.05Å; V285-F316 HydrophobicContact CG1-CZ 3.93Å; V285-F316 HydrophobicContact CG2-CZ 4.21Å; V299-F316 HydrophobicContact CG2-CB 3.97Å; V299-F316 HydrophobicContact CG2-CD1 4.09Å; V299-F316 WeakPolarHBondContact CG2-O 3.46Å; V299-F316 PolarHBondContact N-O 2.6Å; V299-F316 PolarHBondContact O-N 2.93Å; V299-F316 VanDerWaalsContact O-O 3.1Å; L301-F316 HydrophobicContact CB-CB 4.45Å; F316-Y318 HydrophobicContact CD1-CE2 4.32Å; F316-Y318 HydrophobicContact CE1-CD1 4.41Å; F316-Y318 HydrophobicContact CE1-CE1 4.21Å; F316-Y318 HydrophobicContact CE1-CE2 4.38Å
317K96.8Very high79.6Confident95 Ų9594.9 Ų94.941%0.41347%0.472SS..EExtended strand (participates in β ladder)trans-127.3130.5-178.1-64.9179.2-176.6173.10113.3T226 S227 C228 V297T226-K317 PolarHBondContact O-N 2.88Å; S227-K317 CarbonylContact C-O 3.54Å; S227-K317 WeakPolarHBondContact CA-O 3.33Å; S227-K317 VanDerWaalsContact CB-O 3.29Å; S227-K317 WeakPolarHBondContact CB-O 3.44Å; C228-K317 PolarHBondContact N-O 3.1Å; V297-K317 CarbonylContact O-C 3.6Å; V297-K317 VanDerWaalsContact O-CA 3.26Å; V297-K317 WeakPolarHBondContact O-CA 3.23Å
318Y96.9Very high77.9Confident0 Ų092.3 Ų92.30%047%0.468CS..EExtended strand (participates in β ladder)trans-91.4134.5167.4-73.6-77.3000110.7C228 S229 F251 W265 V285 P286 Y288 P296 V297 V299 F316C228-Y318 CarbonylContact O-C 3.51Å; C228-Y318 WeakPolarHBondContact O-CA 3.45Å; C228-Y318 WeakPolarHBondContact SG-CE1 2.87Å; S229-Y318 WeakPolarHBondContact O-CD1 3.18Å; F251-Y318 HydrophobicContact CD1-CE2 4.29Å; W265-Y318 AromaticContact CH2-CE2 3.83Å; W265-Y318 HydrophobicContact CH2-CE2 3.83Å; W265-Y318 AromaticContact CZ3-CE2 3.96Å; W265-Y318 HydrophobicContact CZ3-CE2 3.96Å; V285-Y318 HydrophobicContact CG1-CE1 3.91Å; V285-Y318 VanDerWaalsContact CG1-OH 3.28Å; V285-Y318 WeakPolarHBondContact CG1-OH 3.12Å; P286-Y318 WeakPolarHBondContact O-CE1 3.05Å; P286-Y318 PolarHBondContact O-OH 2.85Å; Y288-Y318 AromaticContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CE2 4.14Å; Y288-Y318 HydrophobicContact CD2-CG 4.43Å; Y288-Y318 HydrophobicContact CG-CD2 4.01Å; Y288-Y318 HydrophobicContact CG-CG 4.15Å; P296-Y318 CarbonylContact C-O 3.51Å; P296-Y318 VanDerWaalsContact CA-O 3.26Å; P296-Y318 WeakPolarHBondContact CA-O 3.14Å; V297-Y318 PolarHBondContact N-O 3.3Å; V297-Y318 PolarHBondContact O-N 2.86Å; V299-Y318 HydrophobicContact CG1-CD2 4.1Å; V299-Y318 HydrophobicContact CG1-CE2 4.35Å; V299-Y318 HydrophobicContact CG2-CD2 4.03Å; V299-Y318 HydrophobicContact CG2-CE2 3.86Å; F316-Y318 HydrophobicContact CD1-CE2 4.32Å; F316-Y318 HydrophobicContact CE1-CD1 4.41Å; F316-Y318 HydrophobicContact CE1-CE1 4.21Å; F316-Y318 HydrophobicContact CE1-CE2 4.38Å
319L95.8Very high75.9Confident49 Ų4984.9 Ų84.926%0.25746%0.457SS..EExtended strand (participates in β ladder)trans-109.1135.3-177.2-56.8178.7000110.7C228 S229 V230 P296 F323C228-L319 PolarHBondContact O-N 2.58Å; S229-L319 CarbonylContact C-O 3.59Å; V230-L319 VanDerWaalsContact CG1-O 3.29Å; V230-L319 WeakPolarHBondContact CG1-O 3.49Å; V230-L319 PolarHBondContact N-O 3.38Å; P296-L319 HydrophobicContact CB-CD2 3.98Å; P296-L319 HydrophobicContact CG-CD2 3.99Å; L319-F323 HydrophobicContact CB-CB 4.4Å
320P93.1Very high73.6Confident11 Ų1190.6 Ų90.67%0.07149%0.49CS..  trans-53.1147.9174.9-28.235000113.5V293 N322 F323V293-P320 HydrophobicContact CG2-CG 4.47Å; V293-P320 VanDerWaalsContact O-CB 3.22Å; V293-P320 WeakPolarHBondContact O-CB 3.44Å; V293-P320 WeakPolarHBondContact O-CG 3.34Å; P320-N322 PolarHBondContact O-N 3.26Å; P320-N322 VanDerWaalsContact O-N 3.12Å; P320-F323 HydrophobicContact CB-CB 4.19Å; P320-F323 HydrophobicContact CB-CD2 4.39Å; P320-F323 HydrophobicContact CG-CD2 3.96Å; P320-F323 WeakPolarHBondContact O-CB 3.47Å; P320-F323 PolarHBondContact O-N 2.78Å
321V81.1Confident70.8Confident81 Ų8189 Ų8949%0.49150%0.499SS..THydrogen-bonded Turntrans-56.9-31.5176.7-175.70000112.3V230 E231 F323V230-V321 HydrophobicContact CG2-CG2 3.56Å; E231-V321 HydrophobicContact CG-CG2 4.24Å; V321-F323 VanDerWaalsContact C-N 3.31Å
322N69.6Low68.4Low153 Ų15393.9 Ų93.982%0.81853%0.531SS*.THydrogen-bonded Turntrans-89.46.9179.1-62.4-29.6000113.7P320 K324P320-N322 PolarHBondContact O-N 3.26Å; P320-N322 VanDerWaalsContact O-N 3.12Å; N322-K324 PolarHBondContact O-N 2.84Å
323F62.5Low65.9Low107 Ų10798 Ų9847%0.46955%0.545SS..  trans-76.376.6178.3-142-93.9000109.1P296 L319 P320 V321 E325P296-F323 HydrophobicContact CG-CD2 4.43Å; P296-F323 HydrophobicContact CG-CE2 3.77Å; P296-F323 HydrophobicContact CG-CZ 3.83Å; L319-F323 HydrophobicContact CB-CB 4.4Å; P320-F323 HydrophobicContact CB-CB 4.19Å; P320-F323 HydrophobicContact CB-CD2 4.39Å; P320-F323 HydrophobicContact CG-CD2 3.96Å; P320-F323 WeakPolarHBondContact O-CB 3.47Å; P320-F323 PolarHBondContact O-N 2.78Å; V321-F323 VanDerWaalsContact C-N 3.31Å; F323-E325 PolarHBondContact O-N 3.31Å; F323-E325 VanDerWaalsContact O-N 3.09Å
324K48.7Very low63.6Low195 Ų19599.6 Ų99.685%0.84856%0.557SS**  trans-65.5107159.5-74.9-175.3178.2-179.50106.3N322 S326N322-K324 PolarHBondContact O-N 2.84Å; K324-S326 PolarHBondContact O-N 2.91Å
325E46.5Very low61.2Low175 Ų175103 Ų10382%0.81858%0.584SS**  trans-53.3108.3158.3-167.2168.7-150.900106F323 P327F323-E325 PolarHBondContact O-N 3.31Å; F323-E325 VanDerWaalsContact O-N 3.09Å; E325-P327 WeakPolarHBondContact O-CD 3.27Å
326S36.7Very low58.8Low78 Ų78106.3 Ų106.355%0.54560%0.595SS.*  trans-61.9126170.272.80000105.3K324 L328K324-S326 PolarHBondContact O-N 2.91Å; S326-L328 PolarHBondContact O-N 3.43Å
327P40.7Very low55.9Low121 Ų121112 Ų11279%0.78663%0.632SS**  trans-62.8101.6163.426.1-28000104.5E325 A329E325-P327 WeakPolarHBondContact O-CD 3.27Å; P327-A329 VanDerWaalsContact C-N 3.34Å; P327-A329 PolarHBondContact O-N 3.23Å
328L39.8Very low53.1Low162 Ų162114 Ų11485%0.84865%0.652SS**  trans-56114.7163.6-84.8168.5000104.3S326S326-L328 PolarHBondContact O-N 3.43Å
329A35.4Very low50.2Low81 Ų81119 Ų11967%0.66969%0.687SS**  trans-42.2147.718000000110.3P327 S331P327-A329 VanDerWaalsContact C-N 3.34Å; P327-A329 PolarHBondContact O-N 3.23Å; A329-S331 PolarHBondContact O-N 3.02Å
330N39.7Very low47.5Very low166 Ų166121 Ų12189%0.88870%0.702SS**  trans-34.695144.5-73.3-23.3000109.4
331S35.5Very low44.8Very low101 Ų101129.8 Ų129.871%0.70674%0.74SS**PPolyproline II helixtrans-75.7125.9154.3179.60000105.1A329 L333A329-S331 PolarHBondContact O-N 3.02Å; S331-L333 PolarHBondContact O-N 3.5Å
332P42.4Very low42.7Very low112 Ų112131.3 Ų131.373%0.72775%0.752SS**PPolyproline II helixtrans-58.1135.7166.722.5-24.7000107.9
333L40.4Very low41.4Very low162 Ų162133 Ų13385%0.84876%0.755SS**PPolyproline II helixtrans-49.2138.8170.8-70162.2000109S331S331-L333 PolarHBondContact O-N 3.5Å
334P47.2Very low40Very low109 Ų109138.4 Ų138.471%0.70877%0.774SS**PPolyproline II helixtrans-61.2144.1168.927-31.2000108.9I336P334-I336 PolarHBondContact O-N 3.03Å
335P44.3Very low39.2Very low123 Ų123133.9 Ų133.980%0.79977%0.766SS**PPolyproline II helixtrans-62.7128.7-179.225.1-30.9000109.5
336I44.3Very low38.7Very low152 Ų152129.4 Ų129.478%0.77976%0.759SS**PPolyproline II helixtrans-58.4126.7173.3-60.5170.3000107.8P334 T338P334-I336 PolarHBondContact O-N 3.03Å; I336-T338 PolarHBondContact O-N 3.3Å; I336-T338 VanDerWaalsContact O-N 3.11Å
337P37.1Very low38.5Very low119 Ų119136.3 Ų136.377%0.77378%0.775SS**  trans-66.3113.8169.2-10.424.7000108.1S339P337-S339 PolarHBondContact O-N 2.76Å; P337-S339 VanDerWaalsContact O-N 3.08Å
338T36.8Very low38.5Very low136 Ų136136 Ų13683%0.83477%0.773SS**  trans-58.5110164.9370000108.6I336I336-T338 PolarHBondContact O-N 3.3Å; I336-T338 VanDerWaalsContact O-N 3.11Å
339S36.5Very low38.7Very low106 Ų106137.5 Ų137.574%0.74178%0.775SS**  trans-63.1134.2165.3-178.10000108.9P337P337-S339 PolarHBondContact O-N 2.76Å; P337-S339 VanDerWaalsContact O-N 3.08Å
340P40.3Very low38.4Very low90 Ų90142.3 Ų142.358%0.58478%0.784SS**  trans-73.5140.8163.832.2-28.1000107.7
341F34.5Very low38.2Very low196 Ų196141.8 Ų141.886%0.8678%0.78SS**  trans131.9135.7157.7-68.1-65.6000113.7
342P38.6Very low38.1Very low114 Ų114143.1 Ų143.174%0.7479%0.789SS**  trans-92155.1-152.433.9-29.6000114.3
343Q41.6Very low37.8Very low188 Ų188143.7 Ų143.788%0.87979%0.792SS**  trans-56.4140.6171.3-66.3176.4-44.600112.6
344Y32.6Very low38.1Very low221 Ų221141.2 Ų141.287%0.86779%0.789SS**  trans-149.6117.9148.6-104.5-83.2000112.4
345S32.4Very low38Very low99 Ų99141.9 Ų141.969%0.69279%0.793SS**  trans45.4116.3137.755.70000124
346A35.9Very low37.8Very low81 Ų81142 Ų14267%0.66979%0.794SS**  40.6132.2117.400000124.2
347Y32Very low37.5Very low224 Ų224140.2 Ų140.288%0.87880%0.795SS**  trans90.9155.4158-61.4-74.4000119.2
348P41.4Very low37.6Very low113 Ų113142.6 Ų142.673%0.73480%0.801SS**  -131.8-178.6-62.535.3-16000113.6
349Q43Very low37.8Very low194 Ų194140.8 Ų140.891%0.90779%0.791SS**  trans-34.9134.4178.4-72.4174.9-66.200117.2
350E31.1Very low37.8Very low182 Ų182145.8 Ų145.885%0.8580%0.795SS**  trans-139.7143.2157.3-89.6-96.2120.700110
351L33.9Very low37.6Very low155 Ų155149.5 Ų149.581%0.81281%0.805SS**PPolyproline II helixtrans-59.1143.6-170.1-79.366.7000114.4P353L351-P353 WeakPolarHBondContact O-CD 3.47Å
352C33.4Very low37.7Very low130 Ų130147.8 Ų147.888%0.87881%0.805SS**PPolyproline II helixtrans-81.5127.3162.2-65.40000111.1
353P37Very low37.6Very low123 Ų123146.9 Ų146.980%0.79981%0.807SS**PPolyproline II helixtrans-90.6147.1159.416.9-0.3000111.7L351L351-P353 WeakPolarHBondContact O-CD 3.47Å
354S45.6Very low37.2Very low111 Ų111144.4 Ų144.478%0.77681%0.809SS**PPolyproline II helixtrans-54.6154.3177.6-360000114.1
355P45.6Very low37.4Very low122 Ų122139.6 Ų139.679%0.79281%0.808SS**PPolyproline II helixtrans-74.4147.7179.929.5-32.7000112.6
356P40.9Very low37.7Very low127 Ų127139.3 Ų139.383%0.82581%0.811SS**PPolyproline II helixtrans-79145.4-178.130.6-32.3000113
357S38Very low38.7Very low114 Ų114140.5 Ų140.580%0.79781%0.812SS**PPolyproline II helixtrans-66.3128.6168.744.60000111.7
358N38.8Very low39.1Very low168 Ų168144.2 Ų144.290%0.89883%0.826SS**PPolyproline II helixtrans-92.9125.8177.8-136.312.1000110.5
359P41.8Very low39Very low98 Ų98145.8 Ų145.864%0.63683%0.831SS**  trans-115.1116.2174.134.1-20.3000111.4
360Y35.1Very low38.8Very low211 Ų211143.2 Ų143.283%0.82783%0.827SS**  trans-172.5102.5156.5-96.7-75.3000105.9
361Q36.7Very low39.2Very low169 Ų169141.1 Ų141.179%0.7983%0.826SS**  100.813079.6-96.6-165.7-22.600112.5
362D36.8Very low39.5Very low160 Ų160140.2 Ų140.286%0.85683%0.827SS**  trans-40.3138.6164.8-67-58.9000114.5
363A35.7Very low39.9Very low94 Ų94140.9 Ų140.978%0.77782%0.823SS**  170.3119.9122.700000109.1
364C33.4Very low40.1Very low137 Ų137142.1 Ų142.193%0.92683%0.825SS**  trans-173100.9137.5-101.10000109.2
365S38Very low39.7Very low120 Ų120144.3 Ų144.384%0.83983%0.829SS**  trans-87.7159.1164.6-54.10000110.5
366A37.7Very low39.3Very low93 Ų93146 Ų14677%0.76983%0.831SS**  trans90.3162.2153.300000117.5
367P57.2Low39.2Very low106 Ų106147.6 Ų147.669%0.68883%0.832SS**  -135.3179.5-51.434.6-17.6000113
368Y40.8Very low39.3Very low301 Ų301150.6 Ų150.6100%1.1884%0.835SS**  trans90.20174.6-68.7-79.3000118.2

Retrieved 368 of 368 residues in 321.1 ms (Link to these results)