X6RHD7_HUMAN Loading...

F-box/LRR-repeat protein 15

AlphaFold DB , UniProt , Accession X6RHD7, Species HUMAN (Homo sapiens, Human), Gene FBXL15, Length 208 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
1M40.4Very low42.8Very low251 Ų251148.6 Ų148.6100%1.23687%0.865SS**  090.80-80.1-179.3177.100106.6
2E38.9Very low43.3Very low191 Ų191149.3 Ų149.389%0.89385%0.854SS**PPolyproline II helixtrans-85.9139.3168.9-83.6168.7115.300108.7
3P53.8Low43.9Very low116 Ų116150.3 Ų150.375%0.75385%0.847SS**PPolyproline II helixtrans-74.4146.4171.530.7-30.6000110.3
4P45.3Very low44.2Very low124 Ų124149.4 Ų149.481%0.80585%0.85SS**PPolyproline II helixtrans-72.6138.617728.8-31.8000111.4E6P4-E6 PolarHBondContact O-N 3.02Å
5M44.3Very low45.2Very low190 Ų190144.1 Ų144.194%0.93684%0.842SS**PPolyproline II helixtrans-52.4129.4171.8-81.6-176.4-9400111.7
6E44.2Very low45.9Very low178 Ų178138.8 Ų138.883%0.83282%0.819SS**PPolyproline II helixtrans-63.8137.9162.7-63.1-172143.100109.6P4 S8P4-E6 PolarHBondContact O-N 3.02Å; E6-S8 PolarHBondContact O-N 3Å
7P42.2Very low47.4Very low125 Ų125137 Ų13781%0.81281%0.81SS**PPolyproline II helixtrans-71.2119.8171.928.5-29.4000109
8S41.8Very low49.4Very low119 Ų119137.8 Ų137.883%0.83280%0.796SS**  trans-41.1131.5175.7-41.70000112.5E6 G10E6-S8 PolarHBondContact O-N 3Å; S8-G10 PolarHBondContact O-N 3.44Å
9G39.6Very low51Low71 Ų71135.1 Ų135.173%0.73277%0.774SS**  trans-52.1127.117200000110.9E11G9-E11 PolarHBondContact O-N 3.42Å; G9-E11 VanDerWaalsContact O-N 3.1Å
10G38.5Very low52.6Low75 Ų75130.5 Ų130.577%0.77375%0.747SS**  trans-59.2114.317300000109.8S8 Q12S8-G10 PolarHBondContact O-N 3.44Å; G10-Q12 PolarHBondContact O-N 3.48Å
11E41.2Very low54.1Low195 Ų195129.3 Ų129.391%0.91174%0.738SS**  trans-54.8118.1171.8-68170.7132.500109.1G9G9-E11 PolarHBondContact O-N 3.42Å; G9-E11 VanDerWaalsContact O-N 3.1Å
12Q49.3Very low56.1Low156 Ų156120.3 Ų120.373%0.72970%0.695SS**  trans-89.1106.8174.9-137.9143.848.800106.8G10 P14G10-Q12 PolarHBondContact O-N 3.48Å; Q12-P14 WeakPolarHBondContact O-CD 3.43Å
13E51.6Low58.4Low163 Ų163114.5 Ų114.576%0.76267%0.674SS**  trans-55.2120.9179.6-78.3-163.2154.900111.2G15E13-G15 PolarHBondContact O-N 2.91Å
14P47.9Very low59.9Low138 Ų138112.6 Ų112.690%0.89665%0.652SS**THydrogen-bonded Turntrans-78.991.5178.530.4-29.4000108.9Q12Q12-P14 WeakPolarHBondContact O-CD 3.43Å
15G58.6Low61.7Low70 Ų70113 Ų11372%0.72264%0.643SS**THydrogen-bonded Turntrans148.6-9.517400000115.9E13 V17E13-G15 PolarHBondContact O-N 2.91Å; G15-V17 PolarHBondContact O-N 3.09Å
16A57.3Low63.6Low59 Ų59109.7 Ų109.749%0.48863%0.629SS.*  trans-76.890.6176.900000110.6R18A16-R18 PolarHBondContact O-N 3.14Å; A16-R18 VanDerWaalsContact O-N 3.14Å
17V71.4Confident65.5Low108 Ų108103.7 Ų103.766%0.65560%0.604SS**  trans-60.3115.6170-176.20000108G15 D21 L22G15-V17 PolarHBondContact O-N 3.09Å; V17-D21 HydrophobicContact CG1-CB 4.17Å; V17-L22 HydrophobicContact CG1-CD2 4.32Å
18R82.1Confident67.4Low151 Ų15197.8 Ų97.857%0.5757%0.566SS**  trans-80152.1178.2-56.5176.4174.6157.70.3108.5A16 L20 D21A16-R18 PolarHBondContact O-N 3.14Å; A16-R18 VanDerWaalsContact O-N 3.14Å; R18-L20 PolarHBondContact O-N 3.2Å; R18-L20 VanDerWaalsContact O-N 3.09Å; R18-D21 WeakPolarHBondContact CA-OD2 3.28Å; R18-D21 VanDerWaalsContact CB-OD2 3.22Å; R18-D21 WeakPolarHBondContact CB-OD2 3.28Å; R18-D21 PolarHBondContact N-OD2 2.89Å; R18-D21 VanDerWaalsContact O-CB 3.32Å; R18-D21 WeakPolarHBondContact O-CB 3.48Å; R18-D21 PolarHBondContact O-N 3.1Å
19F81.3Confident69.3Low86 Ų8693.1 Ų93.138%0.37753%0.532SS..G310 helixtrans-50-39.8179.8175.4-100.2000113.6D21 L22 L28 V32 F51F19-D21 VanDerWaalsContact C-N 3.29Å; F19-D21 PolarHBondContact O-N 3.3Å; F19-L22 PolarHBondContact O-N 3.08Å; F19-L28 HydrophobicContact CD2-CD2 4.1Å; F19-L28 HydrophobicContact CE1-CD1 4.27Å; F19-L28 HydrophobicContact CE1-CD2 4.02Å; F19-L28 HydrophobicContact CE2-CD2 3.55Å; F19-L28 HydrophobicContact CZ-CD2 3.5Å; F19-V32 HydrophobicContact CE2-CG1 4.18Å; F19-V32 HydrophobicContact CE2-CG2 4.11Å; F19-V32 HydrophobicContact CZ-CB 4.33Å; F19-V32 HydrophobicContact CZ-CG1 3.89Å; F19-V32 HydrophobicContact CZ-CG2 4.32Å; F19-F51 HydrophobicContact CD1-CE1 4.04Å; F19-F51 HydrophobicContact CD1-CZ 4.06Å; F19-F51 AromaticContact CE1-CE1 3.84Å; F19-F51 HydrophobicContact CE1-CE1 3.84Å; F19-F51 HydrophobicContact CE1-CZ 4.32Å
20L81.8Confident71.3Confident44 Ų4492.1 Ų92.123%0.2351%0.512CS..G310 helixtrans-79.4-8.1-178.6-67.8173000114.4R18 L22 W24 A50 F51 L54R18-L20 PolarHBondContact O-N 3.2Å; R18-L20 VanDerWaalsContact O-N 3.09Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-W24 PolarHBondContact O-NE1 3.17Å; L20-W24 VanDerWaalsContact O-NE1 3.17Å; L20-A50 HydrophobicContact CD1-CB 3.7Å; L20-F51 HydrophobicContact CD1-CD2 4.1Å; L20-F51 HydrophobicContact CD1-CE2 3.86Å; L20-F51 HydrophobicContact CD1-CZ 4.19Å; L20-F51 HydrophobicContact CD2-CD1 4.06Å; L20-F51 HydrophobicContact CD2-CE1 3.86Å; L20-F51 HydrophobicContact CD2-CE2 4.42Å; L20-F51 HydrophobicContact CD2-CG 4.43Å; L20-F51 HydrophobicContact CD2-CZ 4.04Å; L20-F51 HydrophobicContact CG-CE1 4.47Å; L20-F51 HydrophobicContact CG-CE2 4.33Å; L20-F51 HydrophobicContact CG-CZ 4.15Å; L20-L54 HydrophobicContact CD2-CD2 3.98Å
21D84.6Confident73.4Confident105 Ų10594.2 Ų94.256%0.56150%0.502SS*.G310 helixtrans-82.3-12.3175.8-54.9-25.5000111.4V17 R18 F19V17-D21 HydrophobicContact CG1-CB 4.17Å; R18-D21 WeakPolarHBondContact CA-OD2 3.28Å; R18-D21 VanDerWaalsContact CB-OD2 3.22Å; R18-D21 WeakPolarHBondContact CB-OD2 3.28Å; R18-D21 PolarHBondContact N-OD2 2.89Å; R18-D21 VanDerWaalsContact O-CB 3.32Å; R18-D21 WeakPolarHBondContact O-CB 3.48Å; R18-D21 PolarHBondContact O-N 3.1Å; F19-D21 VanDerWaalsContact C-N 3.29Å; F19-D21 PolarHBondContact O-N 3.3Å
22L83.3Confident75.5Confident63 Ų6387.3 Ų87.333%0.3347%0.473SS..SBendtrans-69.6149.2173-63.4173.9000111V17 F19 L20 W24 V27 L28V17-L22 HydrophobicContact CG1-CD2 4.32Å; F19-L22 PolarHBondContact O-N 3.08Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L22-W24 VanDerWaalsContact O-CD1 3.26Å; L22-W24 PolarHBondContact O-N 3.26Å; L22-V27 HydrophobicContact CB-CG1 4.45Å; L22-V27 HydrophobicContact CD1-CG1 4.4Å; L22-L28 HydrophobicContact CB-CD1 4.43Å; L22-L28 HydrophobicContact CB-CD2 3.85Å; L22-L28 HydrophobicContact CB-CG 4.02Å; L22-L28 HydrophobicContact CD1-CD2 3.86Å; L22-L28 HydrophobicContact CG-CD2 4.47Å
23P86.1Confident77Confident68 Ų6880 Ų8044%0.44244%0.439SS..  trans-57.6125.7177.7-22.331.5000112.3D26 V27 L28P23-D26 HydrophobicContact CB-CB 4.19Å; P23-V27 HydrophobicContact CB-CG2 4.2Å; P23-V27 HydrophobicContact CG-CG2 4.11Å; P23-V27 WeakPolarHBondContact O-CA 2.98Å; P23-V27 WeakPolarHBondContact O-CB 3.32Å; P23-V27 PolarHBondContact O-N 3.08Å; P23-V27 VanDerWaalsContact O-N 3.08Å; P23-L28 PolarHBondContact O-N 2.8Å
24W85.5Confident78.3Confident77 Ų7777.2 Ų77.229%0.29243%0.429SS..Iπ-helixtrans-68.1-54-172.9-68.911.9000111.5L20 L22 L28 L29 A50 L54 L57L20-W24 PolarHBondContact O-NE1 3.17Å; L20-W24 VanDerWaalsContact O-NE1 3.17Å; L22-W24 VanDerWaalsContact O-CD1 3.26Å; L22-W24 PolarHBondContact O-N 3.26Å; W24-L28 HydrophobicContact CG-CD1 4.41Å; W24-L28 PolarHBondContact O-N 3.3Å; W24-L29 VanDerWaalsContact O-CB 3.3Å; W24-L29 WeakPolarHBondContact O-CB 3.22Å; W24-L29 VanDerWaalsContact O-CG 3.26Å; W24-L29 WeakPolarHBondContact O-CG 3.49Å; W24-L29 PolarHBondContact O-N 3.07Å; W24-A50 HydrophobicContact CZ2-CB 4.45Å; W24-L54 HydrophobicContact CB-CD1 3.75Å; W24-L54 HydrophobicContact CD2-CB 4.38Å; W24-L54 HydrophobicContact CD2-CD1 3.65Å; W24-L54 HydrophobicContact CE3-CB 4.17Å; W24-L54 HydrophobicContact CE3-CD1 3.92Å; W24-L54 HydrophobicContact CG-CD1 3.57Å; W24-L54 HydrophobicContact CH2-CB 4.47Å; W24-L54 HydrophobicContact CZ3-CB 4.22Å; W24-L57 HydrophobicContact CB-CD2 4.33Å; W24-L57 HydrophobicContact CE3-CD2 4.38Å
25E83Confident79.9Confident132 Ų13280.5 Ų80.562%0.61742%0.423SS*.Iπ-helixtrans-72.1-36-175.1-69.7-180-165.100113.5L29 P30 L57E25-L29 HydrophobicContact CG-CD1 4.31Å; E25-P30 WeakPolarHBondContact O-CD 3.41Å; E25-P30 VanDerWaalsContact O-CG 3.31Å; E25-P30 WeakPolarHBondContact O-CG 3.47Å; E25-L57 HydrophobicContact CG-CD2 3.7Å
26D83.9Confident80.9Confident121 Ų12178.6 Ų78.665%0.64740%0.398SS*.Iπ-helixtrans-88.7-27.2-174.9-56.6-50.7000113.3P23 P30 H31P23-D26 HydrophobicContact CB-CB 4.19Å; D26-P30 VanDerWaalsContact O-CG 3.28Å; D26-P30 WeakPolarHBondContact O-CG 3.31Å; D26-H31 PolarHBondContact O-ND1 3.23Å
27V84Confident81.8Confident52 Ų5278.9 Ų78.932%0.31540%0.395SS..Iπ-helixtrans-120.5-64.5-172.9-175.60000111.2L22 P23 L29 H31L22-V27 HydrophobicContact CB-CG1 4.45Å; L22-V27 HydrophobicContact CD1-CG1 4.4Å; P23-V27 HydrophobicContact CB-CG2 4.2Å; P23-V27 HydrophobicContact CG-CG2 4.11Å; P23-V27 WeakPolarHBondContact O-CA 2.98Å; P23-V27 WeakPolarHBondContact O-CB 3.32Å; P23-V27 PolarHBondContact O-N 3.08Å; P23-V27 VanDerWaalsContact O-N 3.08Å; V27-L29 PolarHBondContact O-N 3.1Å; V27-H31 VanDerWaalsContact O-CB 3.28Å; V27-H31 WeakPolarHBondContact O-CB 3.27Å; V27-H31 PolarHBondContact O-N 3.08Å; V27-H31 VanDerWaalsContact O-N 3.08Å; V27-H31 PolarHBondContact O-ND1 3.49Å
28L83.1Confident81.9Confident0 Ų074.6 Ų74.60%037%0.368CS..Iπ-helixtrans-66.8-44.5-168.8-62.2-174.9000112.9F19 L22 P23 W24 V32 L33 L54F19-L28 HydrophobicContact CD2-CD2 4.1Å; F19-L28 HydrophobicContact CE1-CD1 4.27Å; F19-L28 HydrophobicContact CE1-CD2 4.02Å; F19-L28 HydrophobicContact CE2-CD2 3.55Å; F19-L28 HydrophobicContact CZ-CD2 3.5Å; L22-L28 HydrophobicContact CB-CD1 4.43Å; L22-L28 HydrophobicContact CB-CD2 3.85Å; L22-L28 HydrophobicContact CB-CG 4.02Å; L22-L28 HydrophobicContact CD1-CD2 3.86Å; L22-L28 HydrophobicContact CG-CD2 4.47Å; P23-L28 PolarHBondContact O-N 2.8Å; W24-L28 HydrophobicContact CG-CD1 4.41Å; W24-L28 PolarHBondContact O-N 3.3Å; L28-V32 HydrophobicContact CD2-CG2 4.32Å; L28-V32 CarbonylContact O-C 3.58Å; L28-V32 WeakPolarHBondContact O-CA 3.26Å; L28-V32 VanDerWaalsContact O-CB 3.27Å; L28-V32 WeakPolarHBondContact O-CB 3.3Å; L28-V32 PolarHBondContact O-N 3.45Å; L28-V32 VanDerWaalsContact O-N 3.08Å; L28-L33 HydrophobicContact CB-CD1 4.38Å; L28-L33 WeakPolarHBondContact O-CD1 3.32Å; L28-L33 PolarHBondContact O-N 3.11Å; L28-L54 HydrophobicContact CB-CD1 4.02Å; L28-L54 HydrophobicContact CB-CD2 4.41Å; L28-L54 HydrophobicContact CD1-CD1 4.15Å; L28-L54 HydrophobicContact CD1-CD2 3.95Å
29L80.9Confident81.5Confident22 Ų2270.8 Ų70.812%0.11535%0.353CS..Iπ-helixtrans-64.4-59.6179.8-70.6-166.2000112.3W24 E25 V27 L33 N34 L54 L57 H58W24-L29 VanDerWaalsContact O-CB 3.3Å; W24-L29 WeakPolarHBondContact O-CB 3.22Å; W24-L29 VanDerWaalsContact O-CG 3.26Å; W24-L29 WeakPolarHBondContact O-CG 3.49Å; W24-L29 PolarHBondContact O-N 3.07Å; E25-L29 HydrophobicContact CG-CD1 4.31Å; V27-L29 PolarHBondContact O-N 3.1Å; L29-L33 HydrophobicContact CD2-CB 4.43Å; L29-L33 HydrophobicContact CD2-CD2 3.93Å; L29-N34 PolarHBondContact O-N 2.87Å; L29-N34 VanDerWaalsContact O-N 3.1Å; L29-L54 HydrophobicContact CD2-CD1 3.88Å; L29-L54 HydrophobicContact CD2-CG 4.47Å; L29-L54 HydrophobicContact CG-CD1 4.4Å; L29-L57 HydrophobicContact CD1-CB 4.3Å; L29-L57 HydrophobicContact CD1-CD2 3.57Å; L29-L57 HydrophobicContact CD1-CG 3.92Å; L29-L57 HydrophobicContact CG-CD2 4.39Å; L29-H58 HydrophobicContact CD2-CB 3.45Å; L29-H58 VanDerWaalsContact CD2-CB 3.45Å
30P81.6Confident81.4Confident50 Ų5071.5 Ų71.533%0.32536%0.358SS..Iπ-helixtrans-71.2-33.6-173.921.5-31.3000114E25 D26 N34E25-P30 WeakPolarHBondContact O-CD 3.41Å; E25-P30 VanDerWaalsContact O-CG 3.31Å; E25-P30 WeakPolarHBondContact O-CG 3.47Å; D26-P30 VanDerWaalsContact O-CG 3.28Å; D26-P30 WeakPolarHBondContact O-CG 3.31Å; P30-N34 WeakPolarHBondContact CA-ND2 3.5Å; P30-N34 WeakPolarHBondContact O-CB 3.44Å; P30-N34 PolarHBondContact O-ND2 3.24Å
31H83.1Confident81.3Confident119 Ų11969.5 Ų69.555%0.55135%0.348SS*.Iπ-helixtrans-102.1-26.3-170.8-60.180.1000113.8D26 V27D26-H31 PolarHBondContact O-ND1 3.23Å; V27-H31 VanDerWaalsContact O-CB 3.28Å; V27-H31 WeakPolarHBondContact O-CB 3.27Å; V27-H31 PolarHBondContact O-N 3.08Å; V27-H31 VanDerWaalsContact O-N 3.08Å; V27-H31 PolarHBondContact O-ND1 3.49Å
32V84.3Confident81Confident50 Ų5065.7 Ų65.730%0.30333%0.327SS..Iπ-helixtrans-108.5-65.3-178.9-170.60000110.7F19 L28 N34 R35 V36F19-V32 HydrophobicContact CE2-CG1 4.18Å; F19-V32 HydrophobicContact CE2-CG2 4.11Å; F19-V32 HydrophobicContact CZ-CB 4.33Å; F19-V32 HydrophobicContact CZ-CG1 3.89Å; F19-V32 HydrophobicContact CZ-CG2 4.32Å; L28-V32 HydrophobicContact CD2-CG2 4.32Å; L28-V32 CarbonylContact O-C 3.58Å; L28-V32 WeakPolarHBondContact O-CA 3.26Å; L28-V32 VanDerWaalsContact O-CB 3.27Å; L28-V32 WeakPolarHBondContact O-CB 3.3Å; L28-V32 PolarHBondContact O-N 3.45Å; L28-V32 VanDerWaalsContact O-N 3.08Å; V32-N34 VanDerWaalsContact C-N 3.34Å; V32-N34 PolarHBondContact O-N 3.37Å; V32-R35 WeakPolarHBondContact O-CB 3.43Å; V32-R35 PolarHBondContact O-N 3.49Å; V32-V36 HydrophobicContact CG1-CG2 4.41Å; V32-V36 WeakPolarHBondContact O-CG2 3.41Å; V32-V36 PolarHBondContact O-N 2.95Å
33L80.9Confident80.9Confident3 Ų370.5 Ų70.52%0.01634%0.341CS..G310 helixtrans-65.5-34.4-169.8-84.674.1000112.8L28 L29 R35 V36 L41 L54 V55 H58L28-L33 HydrophobicContact CB-CD1 4.38Å; L28-L33 WeakPolarHBondContact O-CD1 3.32Å; L28-L33 PolarHBondContact O-N 3.11Å; L29-L33 HydrophobicContact CD2-CB 4.43Å; L29-L33 HydrophobicContact CD2-CD2 3.93Å; L33-R35 PolarHBondContact O-N 3.19Å; L33-R35 VanDerWaalsContact O-N 3.11Å; L33-V36 PolarHBondContact O-N 3.43Å; L33-L41 HydrophobicContact CB-CD2 4.01Å; L33-L41 HydrophobicContact CD2-CD2 3.81Å; L33-L41 HydrophobicContact CG-CD2 3.62Å; L33-L54 HydrophobicContact CD1-CD2 3.74Å; L33-L54 HydrophobicContact CD1-CG 4.14Å; L33-L54 HydrophobicContact CD2-CD2 4.21Å; L33-L54 HydrophobicContact CD2-CG 3.82Å; L33-V55 HydrophobicContact CD2-CG2 4.13Å; L33-H58 VanDerWaalsContact C-CE1 3.49Å; L33-H58 HydrophobicContact CB-CB 4.45Å; L33-H58 WeakPolarHBondContact CB-ND1 3.42Å; L33-H58 HydrophobicContact CD2-CB 3.68Å
34N80.3Confident80.7Confident104 Ų10469.7 Ų69.756%0.55633%0.332SS*.G310 helixtrans-56.8-24.5172-86.8-12000114L29 P30 V32 H58L29-N34 PolarHBondContact O-N 2.87Å; L29-N34 VanDerWaalsContact O-N 3.1Å; P30-N34 WeakPolarHBondContact CA-ND2 3.5Å; P30-N34 WeakPolarHBondContact O-CB 3.44Å; P30-N34 PolarHBondContact O-ND2 3.24Å; V32-N34 VanDerWaalsContact C-N 3.34Å; V32-N34 PolarHBondContact O-N 3.37Å; N34-H58 PolarHBondContact N-CE1 3.31Å; N34-H58 PolarHBondContact OD1-CE1 3.29Å
35R80.2Confident80.5Confident206 Ų20667.7 Ų67.778%0.77733%0.327SS*.G310 helixtrans-96.3-9.5179.3-59.8-171.4178.1-170.21.3112.8V32 L33V32-R35 WeakPolarHBondContact O-CB 3.43Å; V32-R35 PolarHBondContact O-N 3.49Å; L33-R35 PolarHBondContact O-N 3.19Å; L33-R35 VanDerWaalsContact O-N 3.11Å
36V79.5Confident80.5Confident31 Ų3172.1 Ų72.119%0.18834%0.337CS..SBendtrans-89.7125.9-178.4178.10000108.4V32 L33 Q40 L41V32-V36 HydrophobicContact CG1-CG2 4.41Å; V32-V36 WeakPolarHBondContact O-CG2 3.41Å; V32-V36 PolarHBondContact O-N 2.95Å; L33-V36 PolarHBondContact O-N 3.43Å; V36-Q40 HydrophobicContact CG1-CB 3.49Å; V36-Q40 VanDerWaalsContact CG1-CB 3.49Å; V36-L41 HydrophobicContact CB-CD2 3.8Å; V36-L41 HydrophobicContact CB-CG 4.11Å; V36-L41 HydrophobicContact CG1-CD2 3.72Å; V36-L41 HydrophobicContact CG1-CG 3.82Å
37P76.3Confident80.6Confident65 Ų6570.9 Ų70.942%0.42233%0.334SS..  trans-61142.8177.323.3-31.8000110.7R39 Q40 L41P37-R39 PolarHBondContact O-N 2.84Å; P37-Q40 HydrophobicContact CG-CB 4.22Å; P37-Q40 HydrophobicContact CG-CG 3.93Å; P37-Q40 WeakPolarHBondContact O-CA 3.49Å; P37-Q40 WeakPolarHBondContact O-CB 3.43Å; P37-Q40 PolarHBondContact O-N 3.31Å; P37-L41 PolarHBondContact O-N 2.98Å
38L73.8Confident80.8Confident18 Ų1870.3 Ų70.39%0.09433%0.332CS..Hα-helixtrans-48.8-35-177.6-77.3167.8000113.6Q40 L41 L42 L59 L62 F65 V70L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 3.01Å; L38-L41 HydrophobicContact CD2-CD1 4.16Å; L38-L41 WeakPolarHBondContact O-CB 3.44Å; L38-L41 PolarHBondContact O-N 2.74Å; L38-L42 WeakPolarHBondContact O-CG 3.33Å; L38-L42 PolarHBondContact O-N 2.78Å; L38-L59 HydrophobicContact CD2-CD2 4.01Å; L38-L62 HydrophobicContact CD2-CD1 3.91Å; L38-F65 HydrophobicContact CD1-CD2 3.89Å; L38-F65 HydrophobicContact CD1-CE2 3.64Å; L38-F65 HydrophobicContact CD1-CZ 4.4Å; L38-F65 HydrophobicContact CD2-CE2 4.43Å; L38-V70 HydrophobicContact CB-CB 4.45Å; L38-V70 HydrophobicContact CB-CG1 4.02Å; L38-V70 HydrophobicContact CB-CG2 3.73Å; L38-V70 HydrophobicContact CD1-CG2 3.64Å; L38-V70 HydrophobicContact CG-CG2 4.35Å
39R73.9Confident81Confident70 Ų7080.5 Ų80.526%0.26437%0.371SS..Hα-helixtrans-60.2-41.3175.8178.1179.8-73.9-115.7-1.2112.7P37 R43 V70P37-R39 PolarHBondContact O-N 2.84Å; R39-R43 PolarHBondContact O-N 3.21Å; R39-V70 HydrophobicContact CB-CG1 4.06Å; R39-V70 VanDerWaalsContact CZ-O 3.3Å; R39-V70 PolarHBondContact NE-O 2.78Å; R39-V70 PolarHBondContact NH2-O 3.3Å
40Q79.8Confident81.3Confident102 Ų10281.1 Ų81.148%0.47738%0.379SS..Hα-helixtrans-74.4-37.1177.6-72-178.2200111V36 P37 L38 L42 R43 L44V36-Q40 HydrophobicContact CG1-CB 3.49Å; V36-Q40 VanDerWaalsContact CG1-CB 3.49Å; P37-Q40 HydrophobicContact CG-CB 4.22Å; P37-Q40 HydrophobicContact CG-CG 3.93Å; P37-Q40 WeakPolarHBondContact O-CA 3.49Å; P37-Q40 WeakPolarHBondContact O-CB 3.43Å; P37-Q40 PolarHBondContact O-N 3.31Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 3.01Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 3.13Å; Q40-R43 WeakPolarHBondContact O-CB 3.45Å; Q40-R43 PolarHBondContact O-N 3.36Å; Q40-L44 WeakPolarHBondContact O-CG 3.36Å; Q40-L44 PolarHBondContact O-N 3.11Å
41L80Confident81.5Confident2 Ų280.4 Ų80.41%0.0137%0.371CS..Hα-helixtrans-57.6-42.1172.6-64.7176.4000111.9L33 V36 P37 L38 R43 L44 Q45 V55L33-L41 HydrophobicContact CB-CD2 4.01Å; L33-L41 HydrophobicContact CD2-CD2 3.81Å; L33-L41 HydrophobicContact CG-CD2 3.62Å; V36-L41 HydrophobicContact CB-CD2 3.8Å; V36-L41 HydrophobicContact CB-CG 4.11Å; V36-L41 HydrophobicContact CG1-CD2 3.72Å; V36-L41 HydrophobicContact CG1-CG 3.82Å; P37-L41 PolarHBondContact O-N 2.98Å; L38-L41 HydrophobicContact CD2-CD1 4.16Å; L38-L41 WeakPolarHBondContact O-CB 3.44Å; L38-L41 PolarHBondContact O-N 2.74Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.76Å; L41-L44 HydrophobicContact CD2-CD1 4.26Å; L41-L44 WeakPolarHBondContact O-CB 3.37Å; L41-L44 PolarHBondContact O-N 3.44Å; L41-L44 VanDerWaalsContact O-N 3.14Å; L41-Q45 PolarHBondContact O-N 3.41Å; L41-Q45 VanDerWaalsContact O-N 3.14Å; L41-V55 HydrophobicContact CB-CG1 4.07Å; L41-V55 HydrophobicContact CB-CG2 4.45Å; L41-V55 HydrophobicContact CD2-CG2 4.34Å
42L76.9Confident81.5Confident25 Ų2580.3 Ų80.313%0.13137%0.366CS..Hα-helixtrans-61.9-36.7174.2-77.5176.6000113.3L38 Q40 V70 I74 A78 L82L38-L42 WeakPolarHBondContact O-CG 3.33Å; L38-L42 PolarHBondContact O-N 2.78Å; Q40-L42 VanDerWaalsContact C-N 3.29Å; Q40-L42 PolarHBondContact O-N 3.13Å; L42-V70 HydrophobicContact CD1-CG1 4.28Å; L42-I74 HydrophobicContact CD1-CG1 4.36Å; L42-I74 HydrophobicContact CD1-CG2 3.91Å; L42-A78 HydrophobicContact CD1-CB 4.37Å; L42-A78 HydrophobicContact CD2-CB 4.05Å; L42-L82 HydrophobicContact CD1-CD1 4.03Å; L42-L82 HydrophobicContact CD2-CD1 3.81Å; L42-L82 HydrophobicContact CD2-CD2 3.61Å; L42-L82 HydrophobicContact CD2-CG 3.83Å; L42-L82 HydrophobicContact CG-CD1 4.12Å; L42-L82 HydrophobicContact CG-CD2 4.45Å
43R81.1Confident81.6Confident164 Ų16480.5 Ų80.562%0.61937%0.369SS*.Hα-helixtrans-68.9-39173.8-69.6-179.2178.2179-1.3111R39 Q40 L41 Q45 R46R39-R43 PolarHBondContact O-N 3.21Å; Q40-R43 WeakPolarHBondContact O-CB 3.45Å; Q40-R43 PolarHBondContact O-N 3.36Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.76Å; R43-Q45 VanDerWaalsContact C-N 3.28Å; R43-Q45 PolarHBondContact O-N 2.95Å; R43-R46 WeakPolarHBondContact O-CB 3.45Å; R43-R46 PolarHBondContact O-N 3.44Å
44L82.8Confident81.8Confident50 Ų5080.3 Ų80.326%0.26237%0.368SS..Hα-helixtrans-60.4-35.1177.6-72174.9000112.5Q40 L41 R46 V47 F51 V55Q40-L44 WeakPolarHBondContact O-CG 3.36Å; Q40-L44 PolarHBondContact O-N 3.11Å; L41-L44 HydrophobicContact CD2-CD1 4.26Å; L41-L44 WeakPolarHBondContact O-CB 3.37Å; L41-L44 PolarHBondContact O-N 3.44Å; L41-L44 VanDerWaalsContact O-N 3.14Å; L44-R46 PolarHBondContact O-N 3.22Å; L44-V47 HydrophobicContact CD2-CG2 4.34Å; L44-V47 WeakPolarHBondContact O-CB 3.42Å; L44-V47 PolarHBondContact O-N 3.49Å; L44-F51 HydrophobicContact CB-CB 4.5Å; L44-F51 HydrophobicContact CB-CD1 4.36Å; L44-F51 HydrophobicContact CD2-CD1 4.18Å; L44-F51 HydrophobicContact CD2-CE1 4.19Å; L44-F51 WeakPolarHBondContact O-CB 3.27Å; L44-V55 HydrophobicContact CB-CG2 4.09Å
45Q80.6Confident82Confident36 Ų3675.4 Ų75.417%0.16834%0.342CS..THydrogen-bonded Turntrans-57.4-22.2175-70.9-174.7-23.200114.3L41 R43 V55L41-Q45 PolarHBondContact O-N 3.41Å; L41-Q45 VanDerWaalsContact O-N 3.14Å; R43-Q45 VanDerWaalsContact C-N 3.28Å; R43-Q45 PolarHBondContact O-N 2.95Å; Q45-V55 HydrophobicContact CG-CB 3.68Å; Q45-V55 HydrophobicContact CG-CG1 3.6Å; Q45-V55 HydrophobicContact CG-CG2 4.13Å
46R82.6Confident82.1Confident224 Ų22469 Ų6985%0.84532%0.321SS*.THydrogen-bonded Turntrans-91.3-10.6179.5-59.9-175.666.2130.2-0.7113.3R43 L44R43-R46 WeakPolarHBondContact O-CB 3.45Å; R43-R46 PolarHBondContact O-N 3.44Å; L44-R46 PolarHBondContact O-N 3.22Å
47V87.4Confident82.2Confident95 Ų9570.5 Ų70.558%0.57633%0.327SS*.THydrogen-bonded Turntrans-76.7-47.5-175.5178.90000111.3L44 F51L44-V47 HydrophobicContact CD2-CG2 4.34Å; L44-V47 WeakPolarHBondContact O-CB 3.42Å; L44-V47 PolarHBondContact O-N 3.49Å; V47-F51 HydrophobicContact CB-CD2 3.97Å; V47-F51 HydrophobicContact CG1-CD2 3.8Å; V47-F51 HydrophobicContact CG1-CE2 4.04Å
48S88.4Confident82.6Confident40 Ų4067.9 Ų67.928%0.2831%0.309SS..  trans-156.4166.3178.781.30000112.5A50 F51 R52S48-A50 PolarHBondContact O-N 3.24Å; S48-A50 PolarHBondContact OG-N 2.98Å; S48-F51 PolarHBondContact O-N 3.47Å; S48-F51 WeakPolarHBondContact OG-CD2 3.36Å; S48-F51 PolarHBondContact OG-N 3.4Å; S48-F51 VanDerWaalsContact OG-N 3.08Å; S48-R52 WeakPolarHBondContact O-CB 3.47Å; S48-R52 PolarHBondContact O-N 2.92Å
49R87.3Confident82.8Confident215 Ų21567.1 Ų67.181%0.81131%0.306SS*.Hα-helixtrans-60.9-34.7172.9-66.1-176.8-176.7178.21111.9R52 S53R49-R52 PolarHBondContact O-N 3.26Å; R49-S53 PolarHBondContact O-N 3.5Å; R49-S53 VanDerWaalsContact O-N 3.07Å; R49-S53 PolarHBondContact O-OG 2.9Å
50A86.4Confident83.1Confident34 Ų3465.3 Ų65.328%0.28131%0.306SS..Hα-helixtrans-69.1-48.2177.700000111.5L20 W24 S48 R52 S53 L54L20-A50 HydrophobicContact CD1-CB 3.7Å; W24-A50 HydrophobicContact CZ2-CB 4.45Å; S48-A50 PolarHBondContact O-N 3.24Å; S48-A50 PolarHBondContact OG-N 2.98Å; A50-R52 VanDerWaalsContact C-N 3.27Å; A50-R52 PolarHBondContact O-N 3.24Å; A50-S53 PolarHBondContact O-N 2.84Å; A50-S53 VanDerWaalsContact O-N 3.13Å; A50-L54 WeakPolarHBondContact O-CB 3.43Å; A50-L54 PolarHBondContact O-N 3.42Å
51F85.3Confident83.1Confident36 Ų3663.2 Ų63.216%0.15831%0.311CS..Hα-helixtrans-61.9-35.8174.7-81.3-69000112.5F19 L20 L44 V47 S48 L54 V55F19-F51 HydrophobicContact CD1-CE1 4.04Å; F19-F51 HydrophobicContact CD1-CZ 4.06Å; F19-F51 AromaticContact CE1-CE1 3.84Å; F19-F51 HydrophobicContact CE1-CE1 3.84Å; F19-F51 HydrophobicContact CE1-CZ 4.32Å; L20-F51 HydrophobicContact CD1-CD2 4.1Å; L20-F51 HydrophobicContact CD1-CE2 3.86Å; L20-F51 HydrophobicContact CD1-CZ 4.19Å; L20-F51 HydrophobicContact CD2-CD1 4.06Å; L20-F51 HydrophobicContact CD2-CE1 3.86Å; L20-F51 HydrophobicContact CD2-CE2 4.42Å; L20-F51 HydrophobicContact CD2-CG 4.43Å; L20-F51 HydrophobicContact CD2-CZ 4.04Å; L20-F51 HydrophobicContact CG-CE1 4.47Å; L20-F51 HydrophobicContact CG-CE2 4.33Å; L20-F51 HydrophobicContact CG-CZ 4.15Å; L44-F51 HydrophobicContact CB-CB 4.5Å; L44-F51 HydrophobicContact CB-CD1 4.36Å; L44-F51 HydrophobicContact CD2-CD1 4.18Å; L44-F51 HydrophobicContact CD2-CE1 4.19Å; L44-F51 WeakPolarHBondContact O-CB 3.27Å; V47-F51 HydrophobicContact CB-CD2 3.97Å; V47-F51 HydrophobicContact CG1-CD2 3.8Å; V47-F51 HydrophobicContact CG1-CE2 4.04Å; S48-F51 PolarHBondContact O-N 3.47Å; S48-F51 WeakPolarHBondContact OG-CD2 3.36Å; S48-F51 PolarHBondContact OG-N 3.4Å; S48-F51 VanDerWaalsContact OG-N 3.08Å; F51-L54 HydrophobicContact CD1-CD2 4.35Å; F51-L54 PolarHBondContact O-N 2.92Å; F51-V55 WeakPolarHBondContact O-CB 3.34Å; F51-V55 VanDerWaalsContact O-CG2 3.22Å; F51-V55 WeakPolarHBondContact O-CG2 3.13Å; F51-V55 PolarHBondContact O-N 3.48Å
52R84.5Confident83.2Confident117 Ų11764.3 Ų64.344%0.44232%0.317SS..Hα-helixtrans-58.8-49172.8-173.4-174.5-58.6173.22111.6S48 R49 A50 V55 Q56S48-R52 WeakPolarHBondContact O-CB 3.47Å; S48-R52 PolarHBondContact O-N 2.92Å; R49-R52 PolarHBondContact O-N 3.26Å; A50-R52 VanDerWaalsContact C-N 3.27Å; A50-R52 PolarHBondContact O-N 3.24Å; R52-V55 PolarHBondContact O-N 2.87Å; R52-Q56 WeakPolarHBondContact O-CB 3.43Å; R52-Q56 WeakPolarHBondContact O-CG 3.47Å; R52-Q56 PolarHBondContact O-N 3.13Å
53S85.9Confident83.6Confident53 Ų5370.8 Ų70.837%0.37134%0.339SS..Hα-helixtrans-65.2-42.5-179.4-51.60000111.2R49 A50 V55 Q56 L57R49-S53 PolarHBondContact O-N 3.5Å; R49-S53 VanDerWaalsContact O-N 3.07Å; R49-S53 PolarHBondContact O-OG 2.9Å; A50-S53 PolarHBondContact O-N 2.84Å; A50-S53 VanDerWaalsContact O-N 3.13Å; S53-V55 PolarHBondContact O-N 3.05Å; S53-Q56 PolarHBondContact O-N 2.91Å; S53-L57 PolarHBondContact O-N 3.34Å
54L85.6Confident83.8Confident0 Ų070.7 Ų70.70%034%0.339CS..Hα-helixtrans-60.7-46.2176.4-179.767.3000111.9L20 W24 L28 L29 L33 A50 F51 L57 H58L20-L54 HydrophobicContact CD2-CD2 3.98Å; W24-L54 HydrophobicContact CB-CD1 3.75Å; W24-L54 HydrophobicContact CD2-CB 4.38Å; W24-L54 HydrophobicContact CD2-CD1 3.65Å; W24-L54 HydrophobicContact CE3-CB 4.17Å; W24-L54 HydrophobicContact CE3-CD1 3.92Å; W24-L54 HydrophobicContact CG-CD1 3.57Å; W24-L54 HydrophobicContact CH2-CB 4.47Å; W24-L54 HydrophobicContact CZ3-CB 4.22Å; L28-L54 HydrophobicContact CB-CD1 4.02Å; L28-L54 HydrophobicContact CB-CD2 4.41Å; L28-L54 HydrophobicContact CD1-CD1 4.15Å; L28-L54 HydrophobicContact CD1-CD2 3.95Å; L29-L54 HydrophobicContact CD2-CD1 3.88Å; L29-L54 HydrophobicContact CD2-CG 4.47Å; L29-L54 HydrophobicContact CG-CD1 4.4Å; L33-L54 HydrophobicContact CD1-CD2 3.74Å; L33-L54 HydrophobicContact CD1-CG 4.14Å; L33-L54 HydrophobicContact CD2-CD2 4.21Å; L33-L54 HydrophobicContact CD2-CG 3.82Å; A50-L54 WeakPolarHBondContact O-CB 3.43Å; A50-L54 PolarHBondContact O-N 3.42Å; F51-L54 HydrophobicContact CD1-CD2 4.35Å; F51-L54 PolarHBondContact O-N 2.92Å; L54-L57 PolarHBondContact O-N 3.5Å; L54-H58 PolarHBondContact O-N 3.42Å
55V83.8Confident84Confident0 Ų068.6 Ų68.60%033%0.328CS..Hα-helixtrans-67.9-38.1176.8176.40000110.7L33 L41 L44 Q45 F51 R52 S53 L57 H58 L59L33-V55 HydrophobicContact CD2-CG2 4.13Å; L41-V55 HydrophobicContact CB-CG1 4.07Å; L41-V55 HydrophobicContact CB-CG2 4.45Å; L41-V55 HydrophobicContact CD2-CG2 4.34Å; L44-V55 HydrophobicContact CB-CG2 4.09Å; Q45-V55 HydrophobicContact CG-CB 3.68Å; Q45-V55 HydrophobicContact CG-CG1 3.6Å; Q45-V55 HydrophobicContact CG-CG2 4.13Å; F51-V55 WeakPolarHBondContact O-CB 3.34Å; F51-V55 VanDerWaalsContact O-CG2 3.22Å; F51-V55 WeakPolarHBondContact O-CG2 3.13Å; F51-V55 PolarHBondContact O-N 3.48Å; R52-V55 PolarHBondContact O-N 2.87Å; S53-V55 PolarHBondContact O-N 3.05Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 2.98Å; V55-H58 WeakPolarHBondContact O-CB 3.48Å; V55-H58 PolarHBondContact O-N 3.08Å; V55-L59 HydrophobicContact CG1-CD1 3.76Å; V55-L59 HydrophobicContact CG1-CG 4.05Å; V55-L59 WeakPolarHBondContact O-CB 3.22Å; V55-L59 WeakPolarHBondContact O-CD1 3.49Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.42Å
56Q81.8Confident84Confident72 Ų7269.1 Ų69.134%0.33633%0.332SS..Hα-helixtrans-60.1-44.3174.5-78.5-178.9-52.600112.1R52 S53 H58 L59 A60 D85R52-Q56 WeakPolarHBondContact O-CB 3.43Å; R52-Q56 WeakPolarHBondContact O-CG 3.47Å; R52-Q56 PolarHBondContact O-N 3.13Å; S53-Q56 PolarHBondContact O-N 2.91Å; Q56-H58 VanDerWaalsContact C-N 3.31Å; Q56-H58 PolarHBondContact O-N 3.39Å; Q56-L59 PolarHBondContact O-N 3.07Å; Q56-A60 PolarHBondContact O-N 2.95Å; Q56-D85 PolarHBondContact NE2-OD2 2.84Å
57L82.9Confident83.8Confident62 Ų6258.8 Ų58.833%0.32529%0.294SS..Hα-helixtrans-60.9-42.1175.7-160.282.5000111.4W24 E25 L29 S53 L54 V55 A60 G61W24-L57 HydrophobicContact CB-CD2 4.33Å; W24-L57 HydrophobicContact CE3-CD2 4.38Å; E25-L57 HydrophobicContact CG-CD2 3.7Å; L29-L57 HydrophobicContact CD1-CB 4.3Å; L29-L57 HydrophobicContact CD1-CD2 3.57Å; L29-L57 HydrophobicContact CD1-CG 3.92Å; L29-L57 HydrophobicContact CG-CD2 4.39Å; S53-L57 PolarHBondContact O-N 3.34Å; L54-L57 PolarHBondContact O-N 3.5Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 2.98Å; L57-A60 PolarHBondContact O-N 3.28Å; L57-G61 PolarHBondContact O-N 3.37Å
58H83.5Confident83Confident10 Ų1057 Ų575%0.04629%0.29CS..Hα-helixtrans-59.7-47.9175.1-174.367.9000112.5L29 L33 N34 L54 V55 Q56 G61 L62L29-H58 HydrophobicContact CD2-CB 3.45Å; L29-H58 VanDerWaalsContact CD2-CB 3.45Å; L33-H58 VanDerWaalsContact C-CE1 3.49Å; L33-H58 HydrophobicContact CB-CB 4.45Å; L33-H58 WeakPolarHBondContact CB-ND1 3.42Å; L33-H58 HydrophobicContact CD2-CB 3.68Å; N34-H58 PolarHBondContact N-CE1 3.31Å; N34-H58 PolarHBondContact OD1-CE1 3.29Å; L54-H58 PolarHBondContact O-N 3.42Å; V55-H58 WeakPolarHBondContact O-CB 3.48Å; V55-H58 PolarHBondContact O-N 3.08Å; Q56-H58 VanDerWaalsContact C-N 3.31Å; Q56-H58 PolarHBondContact O-N 3.39Å; H58-G61 CarbonylContact O-C 3.57Å; H58-G61 PolarHBondContact O-N 3.4Å; H58-G61 VanDerWaalsContact O-N 3.11Å; H58-L62 PolarHBondContact O-N 3.14Å
59L78.4Confident82Confident3 Ų361.8 Ų61.82%0.01631%0.308CS..Hα-helixtrans-66.2-38.2-177.6-66.9166.7000112L38 V55 Q56 G61 L62 L82L38-L59 HydrophobicContact CD2-CD2 4.01Å; V55-L59 HydrophobicContact CG1-CD1 3.76Å; V55-L59 HydrophobicContact CG1-CG 4.05Å; V55-L59 WeakPolarHBondContact O-CB 3.22Å; V55-L59 WeakPolarHBondContact O-CD1 3.49Å; V55-L59 WeakPolarHBondContact O-CG 3.42Å; V55-L59 PolarHBondContact O-N 3.42Å; Q56-L59 PolarHBondContact O-N 3.07Å; L59-G61 PolarHBondContact O-N 3.14Å; L59-L62 HydrophobicContact CD2-CD1 3.52Å; L59-L62 WeakPolarHBondContact O-CB 3.17Å; L59-L62 PolarHBondContact O-N 3.17Å; L59-L62 VanDerWaalsContact O-N 3.13Å; L59-L82 HydrophobicContact CD1-CD2 3.13Å; L59-L82 HydrophobicContact CD2-CD2 3.61Å; L59-L82 HydrophobicContact CG-CD2 3.97Å
60A80.1Confident80.9Confident32 Ų3251.6 Ų51.626%0.26427%0.269SS..Hα-helixtrans-59.1-36.4172.400000111.3Q56 L57 D85Q56-A60 PolarHBondContact O-N 2.95Å; L57-A60 PolarHBondContact O-N 3.28Å; A60-D85 WeakPolarHBondContact CA-O 3.47Å
61G80.4Confident79.7Confident57 Ų5751.2 Ų51.259%0.58827%0.269SS*.THydrogen-bonded Turntrans-82.2-1.8176.700000115.8L57 H58 L59 R63L57-G61 PolarHBondContact O-N 3.37Å; H58-G61 CarbonylContact O-C 3.57Å; H58-G61 PolarHBondContact O-N 3.4Å; H58-G61 VanDerWaalsContact O-N 3.11Å; L59-G61 PolarHBondContact O-N 3.14Å; G61-R63 PolarHBondContact O-N 3.34Å
62L80.4Confident78.5Confident25 Ų2555.1 Ų55.113%0.13130%0.298CS..  trans-70.5129.3-177.6-77179.4000111.5L38 H58 L59 L89L38-L62 HydrophobicContact CD2-CD1 3.91Å; H58-L62 PolarHBondContact O-N 3.14Å; L59-L62 HydrophobicContact CD2-CD1 3.52Å; L59-L62 WeakPolarHBondContact O-CB 3.17Å; L59-L62 PolarHBondContact O-N 3.17Å; L59-L62 VanDerWaalsContact O-N 3.13Å; L62-L89 HydrophobicContact CB-CD2 4.36Å; L62-L89 WeakPolarHBondContact O-CD2 3.48Å
63R86.4Confident77.3Confident161 Ų16156.1 Ų56.161%0.60831%0.308SS*.SBendtrans-94.1-23.2173.8-62.2-174.8-179.1-150.3-0.3113G61 Q90 E91G61-R63 PolarHBondContact O-N 3.34Å; R63-Q90 HydrophobicContact CB-CG 4.37Å; R63-Q90 WeakPolarHBondContact O-CA 3.46Å; R63-Q90 PolarHBondContact O-N 3.02Å; R63-E91 PolarHBondContact O-N 2.97Å
64R86.3Confident76.3Confident162 Ų16254.8 Ų54.861%0.61130%0.296SS*.EExtended strand (participates in β ladder)trans-133.5126.2-175.5-58.9-173.8168.9166.5-11.4108.6E91R64-E91 CarbonylContact C-O 3.56Å; R64-E91 WeakPolarHBondContact CA-O 3.47Å; R64-E91 HydrophobicContact CB-CB 4.31Å; R64-E91 VanDerWaalsContact CD-OE2 3.27Å; R64-E91 WeakPolarHBondContact CD-OE2 3.05Å; R64-E91 HydrophobicContact CG-CB 3.97Å; R64-E91 HydrophobicContact CG-CG 4.13Å; R64-E91 IonicContact CZ-OE1 3.61Å; R64-E91 IonicContact CZ-OE2 2.98Å; R64-E91 IonicContact NE-OE1 3.53Å; R64-E91 PolarHBondContact NE-OE1 2.81Å; R64-E91 IonicContact NE-OE2 3.17Å; R64-E91 PolarHBondContact NE-OE2 3.48Å; R64-E91 IonicContact NH2-OE1 3.51Å; R64-E91 PolarHBondContact NH2-OE1 2.94Å; R64-E91 IonicContact NH2-OE2 3.67Å
65F85.3Confident75.6Confident7 Ų758.9 Ų58.93%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-123.6123.9172.8-175.6-88.7000108.8L38 A67 V70 L79 L82 L83 L89 E91 L92 A93 L94L38-F65 HydrophobicContact CD1-CD2 3.89Å; L38-F65 HydrophobicContact CD1-CE2 3.64Å; L38-F65 HydrophobicContact CD1-CZ 4.4Å; L38-F65 HydrophobicContact CD2-CE2 4.43Å; F65-A67 HydrophobicContact CE1-CB 4.02Å; F65-V70 HydrophobicContact CZ-CG2 4.2Å; F65-L79 HydrophobicContact CE1-CD1 3.46Å; F65-L79 VanDerWaalsContact CE1-CD1 3.46Å; F65-L79 HydrophobicContact CE2-CD1 4.18Å; F65-L79 HydrophobicContact CZ-CD1 3.16Å; F65-L82 HydrophobicContact CE2-CD1 4.02Å; F65-L82 HydrophobicContact CZ-CD1 4.35Å; F65-L83 HydrophobicContact CD1-CD2 3.87Å; F65-L83 HydrophobicContact CE1-CD2 4.1Å; F65-L83 HydrophobicContact CG-CD2 4.17Å; F65-L89 HydrophobicContact CB-CD2 3.8Å; F65-E91 PolarHBondContact N-O 3.33Å; F65-L92 HydrophobicContact CB-CD1 4.12Å; F65-L92 HydrophobicContact CD1-CD1 3.83Å; F65-L92 HydrophobicContact CG-CD1 4.33Å; F65-L92 WeakPolarHBondContact O-CA 3.5Å; F65-A93 PolarHBondContact O-N 2.87Å; F65-L94 HydrophobicContact CD1-CD2 3.96Å; F65-L94 HydrophobicContact CE1-CD2 3.77Å
66D81.9Confident75Confident46 Ų4663.9 Ų63.925%0.24634%0.341CS..EExtended strand (participates in β ladder)trans-128.6111.4176.3-178.5-4.5000109.3A68 Q69 A93D66-A68 PolarHBondContact O-N 2.91Å; D66-A68 VanDerWaalsContact OD1-CB 3.22Å; D66-A68 WeakPolarHBondContact OD1-CB 3.46Å; D66-A68 PolarHBondContact OD1-N 2.8Å; D66-Q69 HydrophobicContact CB-CG 3.93Å; D66-Q69 WeakPolarHBondContact O-CB 3.35Å; D66-Q69 PolarHBondContact O-N 2.97Å; D66-Q69 PolarHBondContact OD2-NE2 3.43Å; D66-A93 HydrophobicContact CB-CB 4.28Å
67A77.6Confident74.6Confident7 Ų763.7 Ų63.76%0.05835%0.352CS..G310 helixtrans-64.7-28.5-18000000112.7F65 Q69 V70 G71 A93 L94 C97F65-A67 HydrophobicContact CE1-CB 4.02Å; A67-Q69 PolarHBondContact O-N 3.33Å; A67-V70 PolarHBondContact O-N 3.29Å; A67-V70 VanDerWaalsContact O-N 3.08Å; A67-G71 PolarHBondContact O-N 3.15Å; A67-A93 WeakPolarHBondContact CB-O 3.38Å; A67-A93 PolarHBondContact N-O 3.05Å; A67-L94 HydrophobicContact CB-CD2 4.23Å; A67-C97 WeakPolarHBondContact CB-SG 3.28Å
68A71.4Confident74.2Confident59 Ų5961.7 Ų61.749%0.48835%0.345SS..G310 helixtrans-62.1-34.4177.300000111.2D66 V70 G71D66-A68 PolarHBondContact O-N 2.91Å; D66-A68 VanDerWaalsContact OD1-CB 3.22Å; D66-A68 WeakPolarHBondContact OD1-CB 3.46Å; D66-A68 PolarHBondContact OD1-N 2.8Å; A68-V70 PolarHBondContact O-N 3.33Å; A68-G71 PolarHBondContact O-N 3.3Å
69Q66.1Low73.8Confident139 Ų13961.3 Ų61.365%0.6534%0.343SS*.G310 helixtrans-69-18.7177.8-63.3-179.320.300113.5D66 A67D66-Q69 HydrophobicContact CB-CG 3.93Å; D66-Q69 WeakPolarHBondContact O-CB 3.35Å; D66-Q69 PolarHBondContact O-N 2.97Å; D66-Q69 PolarHBondContact OD2-NE2 3.43Å; A67-Q69 PolarHBondContact O-N 3.33Å
70V65.4Low73.6Confident1 Ų161.7 Ų61.71%0.00635%0.347CS..G310 helixtrans-91.6-19.2179.9-152.70000111.8L38 R39 L42 F65 A67 A68 I74L38-V70 HydrophobicContact CB-CB 4.45Å; L38-V70 HydrophobicContact CB-CG1 4.02Å; L38-V70 HydrophobicContact CB-CG2 3.73Å; L38-V70 HydrophobicContact CD1-CG2 3.64Å; L38-V70 HydrophobicContact CG-CG2 4.35Å; R39-V70 HydrophobicContact CB-CG1 4.06Å; R39-V70 VanDerWaalsContact CZ-O 3.3Å; R39-V70 PolarHBondContact NE-O 2.78Å; R39-V70 PolarHBondContact NH2-O 3.3Å; L42-V70 HydrophobicContact CD1-CG1 4.28Å; F65-V70 HydrophobicContact CZ-CG2 4.2Å; A67-V70 PolarHBondContact O-N 3.29Å; A67-V70 VanDerWaalsContact O-N 3.08Å; A68-V70 PolarHBondContact O-N 3.33Å; V70-I74 HydrophobicContact CB-CD1 3.22Å; V70-I74 HydrophobicContact CB-CG1 3.63Å; V70-I74 HydrophobicContact CG1-CD1 3.31Å; V70-I74 HydrophobicContact CG1-CG1 3.24Å; V70-I74 HydrophobicContact CG2-CD1 3.7Å
71G60Low73.4Confident27 Ų2767.9 Ų67.928%0.27836%0.363SS..  trans75.3177.6176.600000114.6A67 A68 Q73A67-G71 PolarHBondContact O-N 3.15Å; A68-G71 PolarHBondContact O-N 3.3Å; G71-Q73 PolarHBondContact O-N 3.34Å
72P60.4Low73.1Confident117 Ų11765.4 Ų65.476%0.7634%0.336SS*.THydrogen-bonded Turntrans-72.68.5-163.727.9-36.4000116.3
73Q59.1Low72.9Confident139 Ų13964.3 Ų64.365%0.6533%0.33SS*.THydrogen-bonded Turntrans-121.118-170.4-63.2177-600113.9G71 P75G71-Q73 PolarHBondContact O-N 3.34Å; Q73-P75 VanDerWaalsContact O-CD 3.23Å; Q73-P75 WeakPolarHBondContact O-CD 3.47Å
74I65.7Low72.5Confident25 Ų2562.9 Ų62.913%0.12833%0.325CS..  trans-75.1121.2169.9-50.4164000108.6L42 V70 A78 L79L42-I74 HydrophobicContact CD1-CG1 4.36Å; L42-I74 HydrophobicContact CD1-CG2 3.91Å; V70-I74 HydrophobicContact CB-CD1 3.22Å; V70-I74 HydrophobicContact CB-CG1 3.63Å; V70-I74 HydrophobicContact CG1-CD1 3.31Å; V70-I74 HydrophobicContact CG1-CG1 3.24Å; V70-I74 HydrophobicContact CG2-CD1 3.7Å; I74-A78 HydrophobicContact CG2-CB 3.81Å; I74-L79 HydrophobicContact CD1-CD1 4.25Å; I74-L79 HydrophobicContact CG2-CB 3.9Å
75P70.1Confident72Confident85 Ų8557.4 Ų57.455%0.55231%0.308SS*.  trans-65.2137.9169.823.9-28.9000110.1Q73 A77 A78 L79Q73-P75 VanDerWaalsContact O-CD 3.23Å; Q73-P75 WeakPolarHBondContact O-CD 3.47Å; P75-A77 PolarHBondContact O-N 3.11Å; P75-A78 HydrophobicContact CG-CB 3.92Å; P75-A78 WeakPolarHBondContact O-CA 3.5Å; P75-A78 WeakPolarHBondContact O-CB 3.46Å; P75-A78 PolarHBondContact O-N 2.81Å; P75-L79 PolarHBondContact O-N 2.84Å
76R72.7Confident71.6Confident106 Ų10657.3 Ų57.340%0.431%0.309SS..Hα-helixtrans-39.8-49.5178.8163.8165.5-166.9162.73.7113.7A78 L79 A80 W100 S102 D105R76-A78 VanDerWaalsContact C-N 3.26Å; R76-A78 PolarHBondContact O-N 2.61Å; R76-L79 PolarHBondContact O-N 2.98Å; R76-A80 WeakPolarHBondContact O-CB 3.48Å; R76-A80 PolarHBondContact O-N 2.85Å; R76-W100 HydrophobicContact CB-CD2 3.81Å; R76-W100 HydrophobicContact CB-CE3 3.6Å; R76-W100 HydrophobicContact CB-CG 4.49Å; R76-W100 HydrophobicContact CB-CH2 4.12Å; R76-W100 HydrophobicContact CB-CZ2 4.31Å; R76-W100 HydrophobicContact CB-CZ3 3.78Å; R76-W100 HydrophobicContact CG-CD2 4.02Å; R76-W100 HydrophobicContact CG-CE3 3.29Å; R76-W100 HydrophobicContact CG-CH2 4.19Å; R76-W100 HydrophobicContact CG-CZ3 3.42Å; R76-W100 VanDerWaalsContact CG-CZ3 3.42Å; R76-W100 PolarHBondContact NH1-O 3.44Å; R76-W100 PolarHBondContact NH2-O 2.95Å; R76-S102 PolarHBondContact NH2-OG 3.33Å; R76-D105 IonicContact CZ-OD2 2.67Å; R76-D105 VanDerWaalsContact CZ-OD2 3.32Å; R76-D105 IonicContact NE-OD2 3.16Å; R76-D105 PolarHBondContact NE-OD2 2.7Å; R76-D105 IonicContact NH2-OD2 3.27Å; R76-D105 PolarHBondContact NH2-OD2 2.94Å
77A73.2Confident71.6Confident67 Ų6760.5 Ų60.555%0.55432%0.322SS*.Hα-helixtrans-62.5-30.9-177.900000113.3P75 R81P75-A77 PolarHBondContact O-N 3.11Å; A77-R81 WeakPolarHBondContact O-CB 3.41Å; A77-R81 VanDerWaalsContact O-CD 3.24Å; A77-R81 WeakPolarHBondContact O-CD 3.5Å; A77-R81 WeakPolarHBondContact O-CG 3.34Å; A77-R81 PolarHBondContact O-N 3.49Å
78A72.9Confident71.9Confident21 Ų2161.6 Ų61.617%0.17433%0.334CS..Hα-helixtrans-70.9-51.3174.600000110L42 I74 P75 R76 A80 R81 L82L42-A78 HydrophobicContact CD1-CB 4.37Å; L42-A78 HydrophobicContact CD2-CB 4.05Å; I74-A78 HydrophobicContact CG2-CB 3.81Å; P75-A78 HydrophobicContact CG-CB 3.92Å; P75-A78 WeakPolarHBondContact O-CA 3.5Å; P75-A78 WeakPolarHBondContact O-CB 3.46Å; P75-A78 PolarHBondContact O-N 2.81Å; R76-A78 VanDerWaalsContact C-N 3.26Å; R76-A78 PolarHBondContact O-N 2.61Å; A78-A80 PolarHBondContact O-N 3.29Å; A78-R81 PolarHBondContact O-N 2.96Å; A78-R81 VanDerWaalsContact O-N 3.12Å; A78-L82 VanDerWaalsContact O-CG 3.28Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 3.44Å
79L75.2Confident72.8Confident1 Ų158.8 Ų58.81%0.00531%0.311CS..Hα-helixtrans-61.5-43.2179.6-178.767.5000112.1F65 I74 P75 R76 R81 L82 L83 L94 W100F65-L79 HydrophobicContact CE1-CD1 3.46Å; F65-L79 VanDerWaalsContact CE1-CD1 3.46Å; F65-L79 HydrophobicContact CE2-CD1 4.18Å; F65-L79 HydrophobicContact CZ-CD1 3.16Å; I74-L79 HydrophobicContact CD1-CD1 4.25Å; I74-L79 HydrophobicContact CG2-CB 3.9Å; P75-L79 PolarHBondContact O-N 2.84Å; R76-L79 PolarHBondContact O-N 2.98Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 2.78Å; L79-L82 HydrophobicContact CD1-CD1 4.38Å; L79-L82 WeakPolarHBondContact O-CB 3.33Å; L79-L82 PolarHBondContact O-N 2.84Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L79-L83 HydrophobicContact CD1-CD1 4.18Å; L79-L83 HydrophobicContact CD1-CD2 4.49Å; L79-L83 HydrophobicContact CD1-CG 4.09Å; L79-L83 HydrophobicContact CD2-CD1 4.39Å; L79-L83 HydrophobicContact CG-CD1 3.9Å; L79-L83 HydrophobicContact CG-CG 4.23Å; L79-L83 VanDerWaalsContact O-CG 3.32Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.37Å; L79-L94 HydrophobicContact CD2-CD2 4.34Å; L79-W100 HydrophobicContact CB-CH2 3.68Å; L79-W100 HydrophobicContact CB-CZ2 4.14Å; L79-W100 HydrophobicContact CD2-CH2 3.31Å; L79-W100 HydrophobicContact CD2-CZ2 3.49Å; L79-W100 VanDerWaalsContact CD2-CZ2 3.49Å; L79-W100 HydrophobicContact CG-CH2 3.82Å; L79-W100 HydrophobicContact CG-CZ2 4.33Å
80A75.5Confident74Confident12 Ų1254.3 Ų54.310%0.09929%0.289CS..Hα-helixtrans-60.3-36175.800000112.4R76 A78 R84R76-A80 WeakPolarHBondContact O-CB 3.48Å; R76-A80 PolarHBondContact O-N 2.85Å; A78-A80 PolarHBondContact O-N 3.29Å; A80-R84 WeakPolarHBondContact O-CB 3.49Å; A80-R84 PolarHBondContact O-N 3.18Å
81R75.4Confident75.3Confident161 Ų16156.7 Ų56.761%0.60830%0.301SS*.Hα-helixtrans-71.5-41.3173.9-71.2169.985.3153.411.7111.9A77 A78 L79 L83 R84 D85A77-R81 WeakPolarHBondContact O-CB 3.41Å; A77-R81 VanDerWaalsContact O-CD 3.24Å; A77-R81 WeakPolarHBondContact O-CD 3.5Å; A77-R81 WeakPolarHBondContact O-CG 3.34Å; A77-R81 PolarHBondContact O-N 3.49Å; A78-R81 PolarHBondContact O-N 2.96Å; A78-R81 VanDerWaalsContact O-N 3.12Å; L79-R81 VanDerWaalsContact C-N 3.26Å; L79-R81 PolarHBondContact O-N 2.78Å; R81-L83 PolarHBondContact O-N 3.3Å; R81-R84 PolarHBondContact O-N 2.8Å; R81-D85 PolarHBondContact O-N 2.85Å; R81-D85 VanDerWaalsContact O-N 3.1Å
82L74.1Confident76.7Confident6 Ų655.5 Ų55.53%0.03129%0.288CS..Hα-helixtrans-57-50.6175.7-69.8-177.9000111.1L42 L59 F65 A78 L79 R84 D85 A86L42-L82 HydrophobicContact CD1-CD1 4.03Å; L42-L82 HydrophobicContact CD2-CD1 3.81Å; L42-L82 HydrophobicContact CD2-CD2 3.61Å; L42-L82 HydrophobicContact CD2-CG 3.83Å; L42-L82 HydrophobicContact CG-CD1 4.12Å; L42-L82 HydrophobicContact CG-CD2 4.45Å; L59-L82 HydrophobicContact CD1-CD2 3.13Å; L59-L82 HydrophobicContact CD2-CD2 3.61Å; L59-L82 HydrophobicContact CG-CD2 3.97Å; F65-L82 HydrophobicContact CE2-CD1 4.02Å; F65-L82 HydrophobicContact CZ-CD1 4.35Å; A78-L82 VanDerWaalsContact O-CG 3.28Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 3.44Å; L79-L82 HydrophobicContact CD1-CD1 4.38Å; L79-L82 WeakPolarHBondContact O-CB 3.33Å; L79-L82 PolarHBondContact O-N 2.84Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L82-R84 VanDerWaalsContact C-N 3.32Å; L82-D85 PolarHBondContact O-N 2.88Å; L82-A86 PolarHBondContact O-N 3.23Å
83L76.9Confident78.1Confident1 Ų151.1 Ų51.11%0.00526%0.261CS..Hα-helixtrans-69.7-33.5-178.1-62.4174.6000111.5F65 L79 R81 A86 L92 L94 V109F65-L83 HydrophobicContact CD1-CD2 3.87Å; F65-L83 HydrophobicContact CE1-CD2 4.1Å; F65-L83 HydrophobicContact CG-CD2 4.17Å; L79-L83 HydrophobicContact CD1-CD1 4.18Å; L79-L83 HydrophobicContact CD1-CD2 4.49Å; L79-L83 HydrophobicContact CD1-CG 4.09Å; L79-L83 HydrophobicContact CD2-CD1 4.39Å; L79-L83 HydrophobicContact CG-CD1 3.9Å; L79-L83 HydrophobicContact CG-CG 4.23Å; L79-L83 VanDerWaalsContact O-CG 3.32Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.37Å; R81-L83 PolarHBondContact O-N 3.3Å; L83-A86 PolarHBondContact O-N 3.37Å; L83-L92 HydrophobicContact CD2-CD1 3.68Å; L83-L94 HydrophobicContact CD1-CD1 4.12Å; L83-L94 HydrophobicContact CD1-CD2 4.03Å; L83-L94 HydrophobicContact CD2-CD2 4.27Å; L83-V109 HydrophobicContact CB-CB 4.47Å; L83-V109 HydrophobicContact CB-CG1 4.13Å; L83-V109 HydrophobicContact CB-CG2 3.51Å
84R77.1Confident79.2Confident132 Ų13244.5 Ų44.550%0.49823%0.23SC..Hα-helixtrans-63.2-40.9176.6-175.7-177.4-56.5-109.7-4.4112.1A80 R81 L82 A86 R112A80-R84 WeakPolarHBondContact O-CB 3.49Å; A80-R84 PolarHBondContact O-N 3.18Å; R81-R84 PolarHBondContact O-N 2.8Å; L82-R84 VanDerWaalsContact C-N 3.32Å; R84-A86 VanDerWaalsContact C-N 3.31Å; R84-R112 PolarHBondContact O-NH1 2.83Å
85D75.8Confident79.6Confident47 Ų4744.9 Ų44.925%0.25124%0.238SC..Hα-helixtrans-84.9-6-175.2-66.9-13.6000112.8Q56 A60 R81 L82 E87Q56-D85 PolarHBondContact NE2-OD2 2.84Å; A60-D85 WeakPolarHBondContact CA-O 3.47Å; R81-D85 PolarHBondContact O-N 2.85Å; R81-D85 VanDerWaalsContact O-N 3.1Å; L82-D85 PolarHBondContact O-N 2.88Å; D85-E87 PolarHBondContact O-N 3.28Å
86A78.1Confident79.1Confident5 Ų544.9 Ų44.94%0.04124%0.237CC..  trans-80.3119.4-178.600000111.7L82 L83 R84 L89 N113L82-A86 PolarHBondContact O-N 3.23Å; L83-A86 PolarHBondContact O-N 3.37Å; R84-A86 VanDerWaalsContact C-N 3.31Å; A86-L89 HydrophobicContact CB-CD1 3.49Å; A86-L89 VanDerWaalsContact CB-CD1 3.49Å; A86-L89 HydrophobicContact CB-CG 3.83Å; A86-N113 PolarHBondContact O-ND2 3.05Å; A86-N113 PolarHBondContact O-OD1 3.42Å
87E80.5Confident78.4Confident113 Ų11340.5 Ų40.553%0.52822%0.223SC..  trans-126.797.7-179-65-168.9156.400110.2D85 R112D85-E87 PolarHBondContact O-N 3.28Å; E87-R112 IonicContact OE1-CZ 2.96Å; E87-R112 IonicContact OE1-NE 3.32Å; E87-R112 IonicContact OE1-NH2 2.74Å; E87-R112 PolarHBondContact OE1-NH2 3.43Å
88G85.5Confident77.9Confident29 Ų2943 Ų4330%0.29922%0.223SC..SBendtrans117.420.2-178.900000114.8Q90 N113G88-Q90 PolarHBondContact O-N 3.08Å; G88-N113 PolarHBondContact N-OD1 3.27Å
89L88.6Confident77.4Confident1 Ų149.7 Ų49.71%0.00525%0.251CS..  trans-58.5134.8170.8-73.2167.9000110.6L62 F65 A86 L92 V109 N113 Q115 L116L62-L89 HydrophobicContact CB-CD2 4.36Å; L62-L89 WeakPolarHBondContact O-CD2 3.48Å; F65-L89 HydrophobicContact CB-CD2 3.8Å; A86-L89 HydrophobicContact CB-CD1 3.49Å; A86-L89 VanDerWaalsContact CB-CD1 3.49Å; A86-L89 HydrophobicContact CB-CG 3.83Å; L89-L92 HydrophobicContact CD1-CD1 4.48Å; L89-V109 HydrophobicContact CD1-CG1 4.41Å; L89-N113 HydrophobicContact CB-CB 4.3Å; L89-N113 WeakPolarHBondContact CB-OD1 3.38Å; L89-N113 PolarHBondContact N-OD1 3.14Å; L89-Q115 CarbonylContact O-C 3.18Å; L89-L116 HydrophobicContact CB-CD2 3.82Å; L89-L116 HydrophobicContact CB-CG 4.48Å; L89-L116 WeakPolarHBondContact O-CA 3.35Å; L89-L116 WeakPolarHBondContact O-CD2 3.46Å; L89-L116 WeakPolarHBondContact O-CG 3.48Å; L89-L116 PolarHBondContact O-N 3.12Å
90Q92.3Very high77.4Confident44 Ų4452.3 Ų52.321%0.20626%0.261CS..SBendtrans-109.6-31.6174.1-59.3-175.91000110.7R63 G88 R117 S118R63-Q90 HydrophobicContact CB-CG 4.37Å; R63-Q90 WeakPolarHBondContact O-CA 3.46Å; R63-Q90 PolarHBondContact O-N 3.02Å; G88-Q90 PolarHBondContact O-N 3.08Å; Q90-R117 WeakPolarHBondContact O-CA 3.14Å; Q90-R117 PolarHBondContact O-N 2.72Å; Q90-S118 PolarHBondContact O-N 3.26Å
91E91.8Very high77.7Confident51 Ų5151.9 Ų51.924%0.23826%0.256CS..EExtended strand (participates in β ladder)trans-131.2125.3178.6-54.8174.9-160.600109.7R63 R64 F65 S118 R144R63-E91 PolarHBondContact O-N 2.97Å; R64-E91 CarbonylContact C-O 3.56Å; R64-E91 WeakPolarHBondContact CA-O 3.47Å; R64-E91 HydrophobicContact CB-CB 4.31Å; R64-E91 VanDerWaalsContact CD-OE2 3.27Å; R64-E91 WeakPolarHBondContact CD-OE2 3.05Å; R64-E91 HydrophobicContact CG-CB 3.97Å; R64-E91 HydrophobicContact CG-CG 4.13Å; R64-E91 IonicContact CZ-OE1 3.61Å; R64-E91 IonicContact CZ-OE2 2.98Å; R64-E91 IonicContact NE-OE1 3.53Å; R64-E91 PolarHBondContact NE-OE1 2.81Å; R64-E91 IonicContact NE-OE2 3.17Å; R64-E91 PolarHBondContact NE-OE2 3.48Å; R64-E91 IonicContact NH2-OE1 3.51Å; R64-E91 PolarHBondContact NH2-OE1 2.94Å; R64-E91 IonicContact NH2-OE2 3.67Å; F65-E91 PolarHBondContact N-O 3.33Å; E91-S118 CarbonylContact C-O 3.54Å; E91-S118 WeakPolarHBondContact CA-O 3.36Å; E91-R144 IonicContact OE1-NH2 3.99Å
92L90.6Very high78.2Confident2 Ų245.5 Ų45.51%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-129.3105.4-179.4176.562.2000109F65 L83 L89 L94 L106 V109 L116 S118 V119 A120F65-L92 HydrophobicContact CB-CD1 4.12Å; F65-L92 HydrophobicContact CD1-CD1 3.83Å; F65-L92 HydrophobicContact CG-CD1 4.33Å; F65-L92 WeakPolarHBondContact O-CA 3.5Å; L83-L92 HydrophobicContact CD2-CD1 3.68Å; L89-L92 HydrophobicContact CD1-CD1 4.48Å; L92-L94 HydrophobicContact CD1-CD1 4.17Å; L92-L94 HydrophobicContact CD1-CD2 3.83Å; L92-L94 HydrophobicContact CD1-CG 3.83Å; L92-L94 HydrophobicContact CD2-CD1 4.22Å; L92-L94 HydrophobicContact CG-CD1 4.23Å; L92-L94 HydrophobicContact CG-CG 4.04Å; L92-L106 HydrophobicContact CD2-CD1 4.1Å; L92-V109 HydrophobicContact CD2-CG1 4.34Å; L92-L116 HydrophobicContact CB-CD2 3.84Å; L92-S118 PolarHBondContact N-O 3.31Å; L92-V119 HydrophobicContact CB-CG2 4.48Å; L92-V119 CarbonylContact O-C 3.5Å; L92-V119 VanDerWaalsContact O-CA 3.28Å; L92-V119 WeakPolarHBondContact O-CA 3.29Å; L92-A120 PolarHBondContact O-N 3.22Å
93A88.6Confident78.8Confident25 Ų2546.2 Ų46.221%0.20724%0.24CC..EExtended strand (participates in β ladder)trans-107.8115.5171.900000109.5F65 D66 A67 A120F65-A93 PolarHBondContact O-N 2.87Å; D66-A93 HydrophobicContact CB-CB 4.28Å; A67-A93 WeakPolarHBondContact CB-O 3.38Å; A67-A93 PolarHBondContact N-O 3.05Å; A93-A120 HydrophobicContact CB-CB 4.19Å
94L83.9Confident79.3Confident0 Ų052.5 Ų52.50%027%0.27CS..  trans-115.414.3174.9-58.8177.6000111.1F65 A67 L79 L83 L92 C97 L101 L106 A120 L121F65-L94 HydrophobicContact CD1-CD2 3.96Å; F65-L94 HydrophobicContact CE1-CD2 3.77Å; A67-L94 HydrophobicContact CB-CD2 4.23Å; L79-L94 HydrophobicContact CD2-CD2 4.34Å; L83-L94 HydrophobicContact CD1-CD1 4.12Å; L83-L94 HydrophobicContact CD1-CD2 4.03Å; L83-L94 HydrophobicContact CD2-CD2 4.27Å; L92-L94 HydrophobicContact CD1-CD1 4.17Å; L92-L94 HydrophobicContact CD1-CD2 3.83Å; L92-L94 HydrophobicContact CD1-CG 3.83Å; L92-L94 HydrophobicContact CD2-CD1 4.22Å; L92-L94 HydrophobicContact CG-CD1 4.23Å; L92-L94 HydrophobicContact CG-CG 4.04Å; L94-C97 HydrophobicContact CB-CB 4.46Å; L94-C97 WeakPolarHBondContact O-CA 3.22Å; L94-C97 WeakPolarHBondContact O-CB 3.46Å; L94-C97 PolarHBondContact O-N 3.03Å; L94-C97 PolarHBondContact O-SG 2.89Å; L94-L101 HydrophobicContact CB-CD2 4.28Å; L94-L101 HydrophobicContact CD1-CD1 4.38Å; L94-L101 HydrophobicContact CD1-CD2 3.58Å; L94-L106 HydrophobicContact CD1-CD1 3.91Å; L94-A120 PolarHBondContact N-O 2.82Å; L94-L121 HydrophobicContact CB-CD2 4.14Å; L94-L121 HydrophobicContact CD1-CD2 3.9Å; L94-L121 HydrophobicContact CG-CD2 4.36Å
95A73.1Confident79.7Confident34 Ų3447.3 Ų47.328%0.28125%0.252SS..THydrogen-bonded Turntrans-89.2135.1174.200000110.6
96P59.9Low80.2Confident84 Ų8445.1 Ų45.155%0.54524%0.24SC..THydrogen-bonded Turncis-9973.3-5.736.8-25.2000109.5H98P96-H98 VanDerWaalsContact C-N 3.32Å; P96-H98 PolarHBondContact O-CD2 3.39Å; P96-H98 VanDerWaalsContact O-CD2 3.31Å; P96-H98 PolarHBondContact O-N 3.18Å; P96-H98 PolarHBondContact O-NE2 2.8Å
97C57.6Low80.8Confident15 Ų1547.1 Ų47.110%0.10125%0.252CS..  trans-69.697.8174-72.50000109.2A67 L94A67-C97 WeakPolarHBondContact CB-SG 3.28Å; L94-C97 HydrophobicContact CB-CB 4.46Å; L94-C97 WeakPolarHBondContact O-CA 3.22Å; L94-C97 WeakPolarHBondContact O-CB 3.46Å; L94-C97 PolarHBondContact O-N 3.03Å; L94-C97 PolarHBondContact O-SG 2.89Å
98H62Low81.3Confident120 Ų12044.3 Ų44.356%0.55624%0.243SC*.  trans-37.9129.6173.6-52.5-77.7000112.8P96 W100P96-H98 VanDerWaalsContact C-N 3.32Å; P96-H98 PolarHBondContact O-CD2 3.39Å; P96-H98 VanDerWaalsContact O-CD2 3.31Å; P96-H98 PolarHBondContact O-N 3.18Å; P96-H98 PolarHBondContact O-NE2 2.8Å; H98-W100 PolarHBondContact O-N 3.21Å; H98-W100 PolarHBondContact O-NE1 3.26Å
99E63.3Low81.4Confident160 Ų16043 Ų4375%0.74823%0.229SC*.SBendtrans27.23.1152.6-62.9-170.1171.300122.7Q126E99-Q126 WeakPolarHBondContact O-CG 3.09Å
100W74.6Confident81.5Confident57 Ų5742.9 Ų42.922%0.21623%0.229CC..  trans-119.3-18.2-175.766.2-102.8000112.1R76 L79 H98 S102R76-W100 HydrophobicContact CB-CD2 3.81Å; R76-W100 HydrophobicContact CB-CE3 3.6Å; R76-W100 HydrophobicContact CB-CG 4.49Å; R76-W100 HydrophobicContact CB-CH2 4.12Å; R76-W100 HydrophobicContact CB-CZ2 4.31Å; R76-W100 HydrophobicContact CB-CZ3 3.78Å; R76-W100 HydrophobicContact CG-CD2 4.02Å; R76-W100 HydrophobicContact CG-CE3 3.29Å; R76-W100 HydrophobicContact CG-CH2 4.19Å; R76-W100 HydrophobicContact CG-CZ3 3.42Å; R76-W100 VanDerWaalsContact CG-CZ3 3.42Å; R76-W100 PolarHBondContact NH1-O 3.44Å; R76-W100 PolarHBondContact NH2-O 2.95Å; L79-W100 HydrophobicContact CB-CH2 3.68Å; L79-W100 HydrophobicContact CB-CZ2 4.14Å; L79-W100 HydrophobicContact CD2-CH2 3.31Å; L79-W100 HydrophobicContact CD2-CZ2 3.49Å; L79-W100 VanDerWaalsContact CD2-CZ2 3.49Å; L79-W100 HydrophobicContact CG-CH2 3.82Å; L79-W100 HydrophobicContact CG-CZ2 4.33Å; H98-W100 PolarHBondContact O-N 3.21Å; H98-W100 PolarHBondContact O-NE1 3.26Å; W100-S102 PolarHBondContact O-N 3.28Å; W100-S102 VanDerWaalsContact O-N 3.14Å
101L81.2Confident81.4Confident2 Ų244 Ų441%0.0125%0.246CC..  trans-67.7111.6176.5-176.571.6000110L94 D105 L121 Q126 L127L94-L101 HydrophobicContact CB-CD2 4.28Å; L94-L101 HydrophobicContact CD1-CD1 4.38Å; L94-L101 HydrophobicContact CD1-CD2 3.58Å; L101-D105 HydrophobicContact CD1-CB 4.06Å; L101-L121 HydrophobicContact CD2-CD2 4.49Å; L101-Q126 WeakPolarHBondContact O-CB 3.32Å; L101-L127 HydrophobicContact CD2-CD1 4.26Å; L101-L127 HydrophobicContact CD2-CD2 4.38Å; L101-L127 HydrophobicContact CG-CD2 4.17Å
102S86.3Confident81.3Confident27 Ų2746.7 Ų46.719%0.18925%0.254CS..  trans-106.9163.7177.655.50000111.8R76 W100 E104 D105 L106R76-S102 PolarHBondContact NH2-OG 3.33Å; W100-S102 PolarHBondContact O-N 3.28Å; W100-S102 VanDerWaalsContact O-N 3.14Å; S102-E104 PolarHBondContact O-N 3.2Å; S102-E104 VanDerWaalsContact O-N 3.16Å; S102-D105 PolarHBondContact O-N 3.45Å; S102-D105 PolarHBondContact OG-OD2 2.88Å; S102-L106 PolarHBondContact O-N 2.79Å
103D88Confident81.3Confident21 Ų2146.6 Ų46.611%0.11225%0.253CS..Hα-helixtrans-52.3-38.6176.7-61.8-33.9000112.7D105 L106 V107 S128 R130 A131D103-D105 PolarHBondContact O-N 3.09Å; D103-L106 PolarHBondContact O-N 2.65Å; D103-L106 VanDerWaalsContact O-N 3.16Å; D103-V107 HydrophobicContact CB-CG2 4.13Å; D103-V107 VanDerWaalsContact O-CB 3.26Å; D103-V107 WeakPolarHBondContact O-CB 3.05Å; D103-V107 WeakPolarHBondContact O-CG2 3.2Å; D103-V107 PolarHBondContact O-N 2.89Å; D103-S128 PolarHBondContact OD1-N 3.01Å; D103-S128 VanDerWaalsContact OD2-CB 3.27Å; D103-S128 WeakPolarHBondContact OD2-CB 3.4Å; D103-S128 PolarHBondContact OD2-N 2.97Å; D103-S128 PolarHBondContact OD2-OG 3.37Å; D103-R130 HydrophobicContact CB-CB 4.37Å; D103-A131 WeakPolarHBondContact OD1-CB 3.37Å
104E86.3Confident81.4Confident133 Ų13348.3 Ų48.362%0.62126%0.262SS*.Hα-helixtrans-59.3-29.4179-63-59.9144.100113.8S102 P108S102-E104 PolarHBondContact O-N 3.2Å; S102-E104 VanDerWaalsContact O-N 3.16Å; E104-P108 VanDerWaalsContact O-CD 3.25Å; E104-P108 WeakPolarHBondContact O-CD 3.48Å; E104-P108 WeakPolarHBondContact O-CG 3.47Å
105D84.9Confident81.8Confident24 Ų2451.9 Ų51.913%0.12828%0.279CS..Hα-helixtrans-86.6-34.4178.4-68.6-46.3000111.2R76 L101 S102 D103 V109R76-D105 IonicContact CZ-OD2 2.67Å; R76-D105 VanDerWaalsContact CZ-OD2 3.32Å; R76-D105 IonicContact NE-OD2 3.16Å; R76-D105 PolarHBondContact NE-OD2 2.7Å; R76-D105 IonicContact NH2-OD2 3.27Å; R76-D105 PolarHBondContact NH2-OD2 2.94Å; L101-D105 HydrophobicContact CD1-CB 4.06Å; S102-D105 PolarHBondContact O-N 3.45Å; S102-D105 PolarHBondContact OG-OD2 2.88Å; D103-D105 PolarHBondContact O-N 3.09Å; D105-V109 WeakPolarHBondContact O-CG2 3.33Å
106L87.7Confident82.8Confident0 Ų050.2 Ų50.20%027%0.266CS..Hα-helixtrans-89.4-42.8-173-177.161.7000113.1L92 L94 S102 D103 V109 L110 L121 L127 A131L92-L106 HydrophobicContact CD2-CD1 4.1Å; L94-L106 HydrophobicContact CD1-CD1 3.91Å; S102-L106 PolarHBondContact O-N 2.79Å; D103-L106 PolarHBondContact O-N 2.65Å; D103-L106 VanDerWaalsContact O-N 3.16Å; L106-V109 WeakPolarHBondContact O-CA 3.35Å; L106-V109 VanDerWaalsContact O-CB 3.28Å; L106-V109 WeakPolarHBondContact O-CB 3.34Å; L106-V109 PolarHBondContact O-N 2.91Å; L106-L110 HydrophobicContact CD1-CD1 4.4Å; L106-L110 HydrophobicContact CD1-CD2 4.14Å; L106-L110 HydrophobicContact CD1-CG 4.09Å; L106-L110 HydrophobicContact CD2-CD1 4.26Å; L106-L110 HydrophobicContact CG-CD1 3.84Å; L106-L110 HydrophobicContact CG-CD2 4.49Å; L106-L110 HydrophobicContact CG-CG 4Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.04Å; L106-L121 HydrophobicContact CD1-CD2 4.32Å; L106-L121 HydrophobicContact CD2-CD1 3.75Å; L106-L121 HydrophobicContact CD2-CD2 3.83Å; L106-L121 HydrophobicContact CD2-CG 4.46Å; L106-L127 HydrophobicContact CB-CD2 4.3Å; L106-L127 HydrophobicContact CD2-CD1 3.69Å; L106-L127 HydrophobicContact CD2-CD2 3.89Å; L106-L127 HydrophobicContact CD2-CG 4.47Å; L106-A131 HydrophobicContact CD2-CB 4.05Å
107V91.1Very high84.5Confident48 Ų4850.9 Ų50.929%0.29126%0.257SS..Hα-helixtrans-55-45.5-175.9169.50000112.6D103 V109 L110 A111 A134D103-V107 HydrophobicContact CB-CG2 4.13Å; D103-V107 VanDerWaalsContact O-CB 3.26Å; D103-V107 WeakPolarHBondContact O-CB 3.05Å; D103-V107 WeakPolarHBondContact O-CG2 3.2Å; D103-V107 PolarHBondContact O-N 2.89Å; V107-V109 PolarHBondContact O-N 2.77Å; V107-L110 PolarHBondContact O-N 3.32Å; V107-A111 PolarHBondContact O-N 3.1Å; V107-A134 HydrophobicContact CB-CB 4.18Å; V107-A134 HydrophobicContact CG1-CB 3.88Å; V107-A134 HydrophobicContact CG2-CB 3.79Å
108P89.6Confident86.2Confident53 Ų5351.3 Ų51.334%0.34426%0.26SS..Hα-helixtrans-62.3-33.7176.6-22.834.9000112.9E104 R112E104-P108 VanDerWaalsContact O-CD 3.25Å; E104-P108 WeakPolarHBondContact O-CD 3.48Å; E104-P108 WeakPolarHBondContact O-CG 3.47Å; P108-R112 VanDerWaalsContact O-CG 3.28Å; P108-R112 WeakPolarHBondContact O-CG 3.2Å; P108-R112 PolarHBondContact O-N 2.88Å; P108-R112 VanDerWaalsContact O-N 3.09Å
109V88.7Confident87.7Confident1 Ų145.7 Ų45.71%0.00623%0.234CC..Hα-helixtrans-68.9-45.6-179.4-176.30000109.5L83 L89 L92 D105 L106 V107 A111 R112 N113L83-V109 HydrophobicContact CB-CB 4.47Å; L83-V109 HydrophobicContact CB-CG1 4.13Å; L83-V109 HydrophobicContact CB-CG2 3.51Å; L89-V109 HydrophobicContact CD1-CG1 4.41Å; L92-V109 HydrophobicContact CD2-CG1 4.34Å; D105-V109 WeakPolarHBondContact O-CG2 3.33Å; L106-V109 WeakPolarHBondContact O-CA 3.35Å; L106-V109 VanDerWaalsContact O-CB 3.28Å; L106-V109 WeakPolarHBondContact O-CB 3.34Å; L106-V109 PolarHBondContact O-N 2.91Å; V107-V109 PolarHBondContact O-N 2.77Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.43Å; V109-R112 PolarHBondContact O-N 2.9Å; V109-N113 WeakPolarHBondContact O-CB 3.33Å; V109-N113 PolarHBondContact O-N 2.88Å; V109-N113 PolarHBondContact O-ND2 2.85Å
110L90.7Very high89.1Confident0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-61.9-42.8177.3-61.1175.2000111.7L106 V107 R112 N113 L116 A134 L135L106-L110 HydrophobicContact CD1-CD1 4.4Å; L106-L110 HydrophobicContact CD1-CD2 4.14Å; L106-L110 HydrophobicContact CD1-CG 4.09Å; L106-L110 HydrophobicContact CD2-CD1 4.26Å; L106-L110 HydrophobicContact CG-CD1 3.84Å; L106-L110 HydrophobicContact CG-CD2 4.49Å; L106-L110 HydrophobicContact CG-CG 4Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.04Å; V107-L110 PolarHBondContact O-N 3.32Å; L110-R112 VanDerWaalsContact C-N 3.35Å; L110-R112 PolarHBondContact O-N 2.84Å; L110-N113 PolarHBondContact O-N 3.5Å; L110-L116 HydrophobicContact CD2-CD1 3.87Å; L110-A134 HydrophobicContact CB-CB 4.5Å; L110-A134 HydrophobicContact CD1-CB 3.96Å; L110-L135 HydrophobicContact CD1-CB 4.45Å; L110-L135 HydrophobicContact CD1-CD2 3.95Å; L110-L135 HydrophobicContact CD1-CG 3.64Å; L110-L135 HydrophobicContact CD2-CD2 3.46Å; L110-L135 VanDerWaalsContact CD2-CD2 3.46Å; L110-L135 HydrophobicContact CD2-CG 4.15Å; L110-L135 HydrophobicContact CG-CD2 4.26Å; L110-L135 HydrophobicContact CG-CG 4.48Å
111A89.9Confident89.8Confident68 Ų6836.5 Ų36.556%0.56220%0.198SC*.Hα-helixtrans-65.4-34.6178.900000113.3V107 V109 N113V107-A111 PolarHBondContact O-N 3.1Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.43Å; A111-N113 VanDerWaalsContact C-N 3.33Å
112R89.3Confident90.1Very high107 Ų10736.8 Ų36.840%0.40420%0.202SC..Hα-helixtrans-79.6-14.4178.2-70.1178.684.9161.910.9113.7R84 E87 P108 V109 L110 P114R84-R112 PolarHBondContact O-NH1 2.83Å; E87-R112 IonicContact OE1-CZ 2.96Å; E87-R112 IonicContact OE1-NE 3.32Å; E87-R112 IonicContact OE1-NH2 2.74Å; E87-R112 PolarHBondContact OE1-NH2 3.43Å; P108-R112 VanDerWaalsContact O-CG 3.28Å; P108-R112 WeakPolarHBondContact O-CG 3.2Å; P108-R112 PolarHBondContact O-N 2.88Å; P108-R112 VanDerWaalsContact O-N 3.09Å; V109-R112 PolarHBondContact O-N 2.9Å; L110-R112 VanDerWaalsContact C-N 3.35Å; L110-R112 PolarHBondContact O-N 2.84Å; R112-P114 WeakPolarHBondContact O-CD 3.39Å
113N90Very high89.9Confident0 Ų037.3 Ų37.30%021%0.211CC..  trans-120.767.5-171.9-67.4-81.8000112.3A86 G88 L89 V109 L110 A111 Q115 L116A86-N113 PolarHBondContact O-ND2 3.05Å; A86-N113 PolarHBondContact O-OD1 3.42Å; G88-N113 PolarHBondContact N-OD1 3.27Å; L89-N113 HydrophobicContact CB-CB 4.3Å; L89-N113 WeakPolarHBondContact CB-OD1 3.38Å; L89-N113 PolarHBondContact N-OD1 3.14Å; V109-N113 WeakPolarHBondContact O-CB 3.33Å; V109-N113 PolarHBondContact O-N 2.88Å; V109-N113 PolarHBondContact O-ND2 2.85Å; L110-N113 PolarHBondContact O-N 3.5Å; A111-N113 VanDerWaalsContact C-N 3.33Å; N113-Q115 PolarHBondContact O-N 3.31Å; N113-Q115 VanDerWaalsContact O-N 3.11Å; N113-L116 HydrophobicContact CB-CD1 3.75Å; N113-L116 HydrophobicContact CB-CG 3.81Å; N113-L116 WeakPolarHBondContact O-CB 3.43Å; N113-L116 WeakPolarHBondContact O-CG 3.2Å; N113-L116 PolarHBondContact O-N 3.22Å; N113-L116 VanDerWaalsContact O-N 3.15Å
114P90.8Very high89.7Confident61 Ų6136.4 Ų36.440%0.39621%0.206SC..THydrogen-bonded Turntrans-70.2-8.318030.5-36.9000114.4R112 L116 G138R112-P114 WeakPolarHBondContact O-CD 3.39Å; P114-L116 VanDerWaalsContact C-N 3.31Å; P114-G138 WeakPolarHBondContact CA-O 3.07Å; P114-G138 WeakPolarHBondContact CB-O 3.28Å
115Q92.6Very high89.5Confident74 Ų7432.4 Ų32.435%0.34620%0.201SC..THydrogen-bonded Turntrans-87-0.6176.5-59.4-73.4-1200112.7L89 N113 R117L89-Q115 CarbonylContact O-C 3.18Å; N113-Q115 PolarHBondContact O-N 3.31Å; N113-Q115 VanDerWaalsContact O-N 3.11Å; Q115-R117 WeakPolarHBondContact O-CG 3.17Å; Q115-R117 PolarHBondContact O-N 2.85Å
116L93.9Very high89.5Confident0 Ų037 Ų370%022%0.222CC..  trans-58.2128.2179-81.8169.2000111L89 L92 L110 N113 P114 V119 C139 R141 L142L89-L116 HydrophobicContact CB-CD2 3.82Å; L89-L116 HydrophobicContact CB-CG 4.48Å; L89-L116 WeakPolarHBondContact O-CA 3.35Å; L89-L116 WeakPolarHBondContact O-CD2 3.46Å; L89-L116 WeakPolarHBondContact O-CG 3.48Å; L89-L116 PolarHBondContact O-N 3.12Å; L92-L116 HydrophobicContact CB-CD2 3.84Å; L110-L116 HydrophobicContact CD2-CD1 3.87Å; N113-L116 HydrophobicContact CB-CD1 3.75Å; N113-L116 HydrophobicContact CB-CG 3.81Å; N113-L116 WeakPolarHBondContact O-CB 3.43Å; N113-L116 WeakPolarHBondContact O-CG 3.2Å; N113-L116 PolarHBondContact O-N 3.22Å; N113-L116 VanDerWaalsContact O-N 3.15Å; P114-L116 VanDerWaalsContact C-N 3.31Å; L116-V119 HydrophobicContact CB-CG2 4.38Å; L116-V119 HydrophobicContact CD1-CG2 4.22Å; L116-V119 HydrophobicContact CD2-CG2 4.28Å; L116-C139 HydrophobicContact CB-CB 4.25Å; L116-R141 CarbonylContact O-C 3.49Å; L116-R141 VanDerWaalsContact O-C 3.27Å; L116-L142 WeakPolarHBondContact O-CA 3.28Å; L116-L142 PolarHBondContact O-N 2.9Å
117R95.2Very high89.5Confident97 Ų9737.3 Ų37.337%0.36622%0.223SC..  trans-114.9-33178.7-59.5-174.2-176.9-149.41.8112Q90 Q115 Q143 R144Q90-R117 WeakPolarHBondContact O-CA 3.14Å; Q90-R117 PolarHBondContact O-N 2.72Å; Q115-R117 WeakPolarHBondContact O-CG 3.17Å; Q115-R117 PolarHBondContact O-N 2.85Å; R117-Q143 HydrophobicContact CB-CG 4.47Å; R117-Q143 CarbonylContact O-C 3.59Å; R117-Q143 WeakPolarHBondContact O-CA 3.4Å; R117-Q143 PolarHBondContact O-N 3.46Å; R117-R144 PolarHBondContact O-N 3.31Å
118S94.9Very high89.3Confident25 Ų2536.8 Ų36.818%0.17522%0.222CC..EExtended strand (participates in β ladder)trans-129.7124.2-177.7-159.70000109.7Q90 E91 L92 R144Q90-S118 PolarHBondContact O-N 3.26Å; E91-S118 CarbonylContact C-O 3.54Å; E91-S118 WeakPolarHBondContact CA-O 3.36Å; L92-S118 PolarHBondContact N-O 3.31Å; S118-R144 CarbonylContact C-O 3.59Å; S118-R144 WeakPolarHBondContact CA-O 3.31Å; S118-R144 PolarHBondContact OG-NE 2.81Å
119V93.8Very high89.2Confident1 Ų142 Ų421%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-131.2127.1176.9174.50000109.3L92 L116 L121 L135 L142 R144 L145 S146L92-V119 HydrophobicContact CB-CG2 4.48Å; L92-V119 CarbonylContact O-C 3.5Å; L92-V119 VanDerWaalsContact O-CA 3.28Å; L92-V119 WeakPolarHBondContact O-CA 3.29Å; L116-V119 HydrophobicContact CB-CG2 4.38Å; L116-V119 HydrophobicContact CD1-CG2 4.22Å; L116-V119 HydrophobicContact CD2-CG2 4.28Å; V119-L121 HydrophobicContact CG1-CD1 3.88Å; V119-L121 HydrophobicContact CG1-CD2 4.14Å; V119-L121 HydrophobicContact CG1-CG 3.68Å; V119-L135 HydrophobicContact CB-CD2 4.35Å; V119-L135 HydrophobicContact CG1-CD2 4.12Å; V119-L135 HydrophobicContact CG2-CD2 4.01Å; V119-L142 HydrophobicContact CB-CD1 4.03Å; V119-L142 HydrophobicContact CG2-CD1 3.64Å; V119-R144 PolarHBondContact N-O 3.01Å; V119-L145 HydrophobicContact CB-CD1 4Å; V119-L145 HydrophobicContact CG1-CD1 4Å; V119-L145 CarbonylContact O-C 3.5Å; V119-L145 VanDerWaalsContact O-CA 3.29Å; V119-L145 WeakPolarHBondContact O-CA 3.25Å; V119-S146 PolarHBondContact O-N 2.93Å
120A91.6Very high89.3Confident24 Ų2450 Ų5020%0.19827%0.265CS..EExtended strand (participates in β ladder)trans-123113.7174.200000109.8L92 A93 L94L92-A120 PolarHBondContact O-N 3.22Å; A93-A120 HydrophobicContact CB-CB 4.19Å; L94-A120 PolarHBondContact N-O 2.82Å
121L89.1Confident89.2Confident0 Ų050 Ų500%027%0.265CS..  trans-120.524.2-178.8-56.6171.1000111.4L94 L101 L106 V119 G123 C124 L127 L135 S146 L147 C150L94-L121 HydrophobicContact CB-CD2 4.14Å; L94-L121 HydrophobicContact CD1-CD2 3.9Å; L94-L121 HydrophobicContact CG-CD2 4.36Å; L101-L121 HydrophobicContact CD2-CD2 4.49Å; L106-L121 HydrophobicContact CD1-CD2 4.32Å; L106-L121 HydrophobicContact CD2-CD1 3.75Å; L106-L121 HydrophobicContact CD2-CD2 3.83Å; L106-L121 HydrophobicContact CD2-CG 4.46Å; V119-L121 HydrophobicContact CG1-CD1 3.88Å; V119-L121 HydrophobicContact CG1-CD2 4.14Å; V119-L121 HydrophobicContact CG1-CG 3.68Å; L121-G123 PolarHBondContact O-N 2.89Å; L121-C124 VanDerWaalsContact O-CB 3.3Å; L121-C124 WeakPolarHBondContact O-CB 3.28Å; L121-C124 PolarHBondContact O-N 3.27Å; L121-C124 PolarHBondContact O-SG 3.06Å; L121-L127 HydrophobicContact CB-CD1 4.28Å; L121-L127 HydrophobicContact CD1-CD1 4.1Å; L121-L127 HydrophobicContact CD2-CD1 4.41Å; L121-L127 HydrophobicContact CG-CD1 4.49Å; L121-L135 HydrophobicContact CD1-CD1 3.99Å; L121-S146 PolarHBondContact N-O 2.96Å; L121-L147 HydrophobicContact CB-CD2 4.11Å; L121-L147 HydrophobicContact CD1-CD2 4.17Å; L121-C150 PolarHBondContact O-SG 2.9Å
122G87.1Confident89.3Confident9 Ų946.8 Ų46.89%0.09324%0.238CC..THydrogen-bonded Turntrans-57.7132.2-177.100000112.7C124 A148G122-C124 VanDerWaalsContact C-N 3.28Å; G122-C124 PolarHBondContact O-N 2.77Å; G122-A148 CarbonylContact C-O 3.5Å; G122-A148 WeakPolarHBondContact CA-O 3.38Å
123G82.1Confident89.4Confident37 Ų3743 Ų4338%0.38123%0.233SC..THydrogen-bonded Turntrans74.28.3179.900000115.4L121 G125 A148L121-G123 PolarHBondContact O-N 2.89Å; G123-G125 PolarHBondContact O-N 2.88Å; G123-A148 PolarHBondContact N-O 2.83Å
124C85Confident89.5Confident2 Ų243.8 Ų43.81%0.01424%0.239CC..  trans-76.987.3177.4-67.30000111.5L121 G122 Q126 L127 W152L121-C124 VanDerWaalsContact O-CB 3.3Å; L121-C124 WeakPolarHBondContact O-CB 3.28Å; L121-C124 PolarHBondContact O-N 3.27Å; L121-C124 PolarHBondContact O-SG 3.06Å; G122-C124 VanDerWaalsContact C-N 3.28Å; G122-C124 PolarHBondContact O-N 2.77Å; C124-Q126 PolarHBondContact O-N 3.26Å; C124-L127 HydrophobicContact CB-CD1 3.54Å; C124-L127 HydrophobicContact CB-CG 3.9Å; C124-W152 PolarHBondContact O-NE1 3.41Å
125G81.4Confident89.6Confident50 Ų5040.9 Ų40.952%0.51522%0.22SC..THydrogen-bonded Turntrans-74.5-15.1-173.600000117.4G123G123-G125 PolarHBondContact O-N 2.88Å
126Q84.3Confident89.5Confident120 Ų12037.6 Ų37.656%0.56121%0.206SC*.THydrogen-bonded Turntrans-96.41.5-179.8-68.6-61.2-52.800114.1E99 L101 C124E99-Q126 WeakPolarHBondContact O-CG 3.09Å; L101-Q126 WeakPolarHBondContact O-CB 3.32Å; C124-Q126 PolarHBondContact O-N 3.26Å
127L88.1Confident89.4Confident6 Ų643.5 Ų43.53%0.03123%0.233CC..  trans-79.6160.2173.2-66-179.1000110.3L101 L106 L121 C124 A131 W152L101-L127 HydrophobicContact CD2-CD1 4.26Å; L101-L127 HydrophobicContact CD2-CD2 4.38Å; L101-L127 HydrophobicContact CG-CD2 4.17Å; L106-L127 HydrophobicContact CB-CD2 4.3Å; L106-L127 HydrophobicContact CD2-CD1 3.69Å; L106-L127 HydrophobicContact CD2-CD2 3.89Å; L106-L127 HydrophobicContact CD2-CG 4.47Å; L121-L127 HydrophobicContact CB-CD1 4.28Å; L121-L127 HydrophobicContact CD1-CD1 4.1Å; L121-L127 HydrophobicContact CD2-CD1 4.41Å; L121-L127 HydrophobicContact CG-CD1 4.49Å; C124-L127 HydrophobicContact CB-CD1 3.54Å; C124-L127 HydrophobicContact CB-CG 3.9Å; L127-A131 HydrophobicContact CB-CB 4.36Å; L127-A131 HydrophobicContact CD1-CB 4.46Å; L127-A131 HydrophobicContact CD2-CB 4.24Å; L127-W152 HydrophobicContact CB-CD2 4.03Å; L127-W152 HydrophobicContact CB-CE3 4.49Å; L127-W152 HydrophobicContact CB-CH2 4.08Å; L127-W152 HydrophobicContact CB-CZ2 3.58Å; L127-W152 HydrophobicContact CB-CZ3 4.49Å; L127-W152 HydrophobicContact CD1-CH2 4.23Å; L127-W152 HydrophobicContact CD1-CZ2 3.74Å; L127-W152 HydrophobicContact CG-CZ2 4.31Å; L127-W152 WeakPolarHBondContact O-CB 3.31Å
128S88.4Confident89.2Confident37 Ų3739.6 Ų39.626%0.25922%0.223SC..  trans-131.3179.5175.485.20000111.9D103 R130 A131 W152D103-S128 PolarHBondContact OD1-N 3.01Å; D103-S128 VanDerWaalsContact OD2-CB 3.27Å; D103-S128 WeakPolarHBondContact OD2-CB 3.4Å; D103-S128 PolarHBondContact OD2-N 2.97Å; D103-S128 PolarHBondContact OD2-OG 3.37Å; S128-R130 PolarHBondContact O-N 3.04Å; S128-R130 WeakPolarHBondContact OG-CB 2.99Å; S128-R130 PolarHBondContact OG-N 3.34Å; S128-R130 VanDerWaalsContact OG-N 3.15Å; S128-A131 WeakPolarHBondContact O-CB 3.47Å; S128-A131 PolarHBondContact O-N 2.78Å; S128-W152 VanDerWaalsContact C-CE3 3.43Å; S128-W152 VanDerWaalsContact O-CZ3 3.31Å; S128-W152 WeakPolarHBondContact O-CZ3 3.24Å
129R86.6Confident89.1Confident164 Ų16438.4 Ų38.462%0.61921%0.214SC*.Hα-helixtrans-49.7-23170.564.8176-177.7-111.2-0.6114.1L132 G133 A157R129-L132 PolarHBondContact O-N 2.96Å; R129-G133 PolarHBondContact O-N 3.34Å; R129-A157 HydrophobicContact CB-CB 4.13Å
130R89.8Confident89Confident168 Ų16841.3 Ų41.363%0.63423%0.233SC*.Hα-helixtrans-62.2-41174.5-69-178.1170.6-178.9-1.1112.1D103 S128 G133 A134D103-R130 HydrophobicContact CB-CB 4.37Å; S128-R130 PolarHBondContact O-N 3.04Å; S128-R130 WeakPolarHBondContact OG-CB 2.99Å; S128-R130 PolarHBondContact OG-N 3.34Å; S128-R130 VanDerWaalsContact OG-N 3.15Å; R130-G133 PolarHBondContact O-N 3.33Å; R130-A134 WeakPolarHBondContact O-CB 3.37Å; R130-A134 PolarHBondContact O-N 2.85Å
131A90Very high89Confident0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-62.9-42.9176.100000111.9D103 L106 L127 S128 A134 L135 W152D103-A131 WeakPolarHBondContact OD1-CB 3.37Å; L106-A131 HydrophobicContact CD2-CB 4.05Å; L127-A131 HydrophobicContact CB-CB 4.36Å; L127-A131 HydrophobicContact CD1-CB 4.46Å; L127-A131 HydrophobicContact CD2-CB 4.24Å; S128-A131 WeakPolarHBondContact O-CB 3.47Å; S128-A131 PolarHBondContact O-N 2.78Å; A131-A134 PolarHBondContact O-N 2.84Å; A131-L135 PolarHBondContact O-N 3.47Å; A131-W152 HydrophobicContact CB-CH2 4.42Å; A131-W152 HydrophobicContact CB-CZ3 4.47Å
132L90.8Very high89.3Confident0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-65.6-40.3176.5-119159.2000112.2R129 L135 A136 L147 W152 V153 A157 L161R129-L132 PolarHBondContact O-N 2.96Å; L132-L135 WeakPolarHBondContact O-CB 3.23Å; L132-L135 PolarHBondContact O-N 3.17Å; L132-A136 PolarHBondContact O-N 3Å; L132-L147 HydrophobicContact CD1-CD1 3.91Å; L132-L147 HydrophobicContact CD2-CD1 4.43Å; L132-L147 HydrophobicContact CG-CD1 4.24Å; L132-W152 HydrophobicContact CB-CZ3 4.1Å; L132-W152 HydrophobicContact CD1-CE3 4.36Å; L132-W152 HydrophobicContact CD1-CH2 4.37Å; L132-W152 HydrophobicContact CD1-CZ3 3.69Å; L132-W152 HydrophobicContact CG-CZ3 4.04Å; L132-V153 HydrophobicContact CD1-CB 4.22Å; L132-V153 HydrophobicContact CD1-CG1 3.78Å; L132-V153 HydrophobicContact CD1-CG2 3.92Å; L132-A157 HydrophobicContact CB-CB 3.92Å; L132-A157 HydrophobicContact CD1-CB 4.08Å; L132-A157 HydrophobicContact CG-CB 4.43Å; L132-L161 HydrophobicContact CD2-CB 4.03Å; L132-L161 HydrophobicContact CD2-CD1 3.55Å; L132-L161 HydrophobicContact CD2-CG 4.4Å
133G91.7Very high89.7Confident29 Ų2947.9 Ų47.930%0.29925%0.252SS..Hα-helixtrans-58.9-50171.300000111.2R129 R130 L135 A136 E137R129-G133 PolarHBondContact O-N 3.34Å; R130-G133 PolarHBondContact O-N 3.33Å; G133-L135 VanDerWaalsContact C-N 3.28Å; G133-L135 PolarHBondContact O-N 2.87Å; G133-A136 WeakPolarHBondContact O-CB 3.48Å; G133-A136 PolarHBondContact O-N 3.05Å; G133-E137 WeakPolarHBondContact O-CG 3.23Å; G133-E137 PolarHBondContact O-N 2.79Å
134A91.8Very high90.3Very high15 Ų1549.6 Ų49.612%0.12425%0.247CC..Hα-helixtrans-61.1-34.4176.900000113.1V107 L110 R130 A131 G138V107-A134 HydrophobicContact CB-CB 4.18Å; V107-A134 HydrophobicContact CG1-CB 3.88Å; V107-A134 HydrophobicContact CG2-CB 3.79Å; L110-A134 HydrophobicContact CB-CB 4.5Å; L110-A134 HydrophobicContact CD1-CB 3.96Å; R130-A134 WeakPolarHBondContact O-CB 3.37Å; R130-A134 PolarHBondContact O-N 2.85Å; A131-A134 PolarHBondContact O-N 2.84Å; A134-G138 WeakPolarHBondContact O-CA 3.46Å; A134-G138 PolarHBondContact O-N 2.94Å
135L92.6Very high90.8Very high0 Ų049.7 Ų49.70%025%0.248CC..Hα-helixtrans-61.6-48.2171-83.6168.2000111.2L110 V119 L121 A131 L132 G133 E137 C139 L142 L145 L161L110-L135 HydrophobicContact CD1-CB 4.45Å; L110-L135 HydrophobicContact CD1-CD2 3.95Å; L110-L135 HydrophobicContact CD1-CG 3.64Å; L110-L135 HydrophobicContact CD2-CD2 3.46Å; L110-L135 VanDerWaalsContact CD2-CD2 3.46Å; L110-L135 HydrophobicContact CD2-CG 4.15Å; L110-L135 HydrophobicContact CG-CD2 4.26Å; L110-L135 HydrophobicContact CG-CG 4.48Å; V119-L135 HydrophobicContact CB-CD2 4.35Å; V119-L135 HydrophobicContact CG1-CD2 4.12Å; V119-L135 HydrophobicContact CG2-CD2 4.01Å; L121-L135 HydrophobicContact CD1-CD1 3.99Å; A131-L135 PolarHBondContact O-N 3.47Å; L132-L135 WeakPolarHBondContact O-CB 3.23Å; L132-L135 PolarHBondContact O-N 3.17Å; G133-L135 VanDerWaalsContact C-N 3.28Å; G133-L135 PolarHBondContact O-N 2.87Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.41Å; L135-C139 WeakPolarHBondContact O-CA 3.07Å; L135-C139 WeakPolarHBondContact O-CB 3.46Å; L135-C139 PolarHBondContact O-N 3.32Å; L135-L142 HydrophobicContact CD2-CD2 4.44Å; L135-L145 HydrophobicContact CD1-CD1 4.03Å; L135-L145 HydrophobicContact CD1-CD2 4.46Å; L135-L161 HydrophobicContact CB-CD1 4.45Å
136A91.8Very high91.3Very high5 Ų548.7 Ų48.74%0.04123%0.232CC..Hα-helixtrans-63.1-36.4-179.800000112.3L132 G133 L161 R164L132-A136 PolarHBondContact O-N 3Å; G133-A136 WeakPolarHBondContact O-CB 3.48Å; G133-A136 PolarHBondContact O-N 3.05Å; A136-L161 HydrophobicContact CB-CB 4.38Å; A136-R164 HydrophobicContact CB-CB 4.26Å; A136-R164 WeakPolarHBondContact O-CB 3.3Å
137E91.6Very high91.6Very high125 Ų12543 Ų4358%0.58421%0.206SC*.Hα-helixtrans-85-40-179.1-57.6-160.9147.200113.2G133 L135 R164G133-E137 WeakPolarHBondContact O-CG 3.23Å; G133-E137 PolarHBondContact O-N 2.79Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.41Å; E137-R164 VanDerWaalsContact CD-NH1 3.33Å; E137-R164 VanDerWaalsContact CG-NH1 3.27Å; E137-R164 IonicContact OE1-CZ 3.65Å; E137-R164 IonicContact OE1-NH1 3.41Å; E137-R164 PolarHBondContact OE1-NH1 3.3Å; E137-R164 IonicContact OE1-NH2 3.05Å; E137-R164 PolarHBondContact OE1-NH2 3.15Å
138G89.9Confident91.7Very high14 Ų1443.3 Ų43.314%0.14421%0.209CC..Hα-helixtrans-85.4-29.3-173.900000113.9P114 A134 P140P114-G138 WeakPolarHBondContact CA-O 3.07Å; P114-G138 WeakPolarHBondContact CB-O 3.28Å; A134-G138 WeakPolarHBondContact O-CA 3.46Å; A134-G138 PolarHBondContact O-N 2.94Å; G138-P140 VanDerWaalsContact C-CD 3.47Å; G138-P140 WeakPolarHBondContact O-CD 3.36Å
139C93.4Very high91.7Very high0 Ų047.5 Ų47.50%022%0.224CC..  trans-121.470.5-167.7-52.70000112.9L116 L135 R141 L142 C165L116-C139 HydrophobicContact CB-CB 4.25Å; L135-C139 WeakPolarHBondContact O-CA 3.07Å; L135-C139 WeakPolarHBondContact O-CB 3.46Å; L135-C139 PolarHBondContact O-N 3.32Å; C139-R141 PolarHBondContact O-N 3.31Å; C139-L142 HydrophobicContact CB-CB 4.31Å; C139-L142 WeakPolarHBondContact O-CB 3.38Å; C139-L142 PolarHBondContact O-N 3.05Å; C139-C165 PolarHBondContact O-SG 2.88Å
140P91.1Very high91.8Very high62 Ų6239.7 Ų39.740%0.40320%0.195SC..THydrogen-bonded Turntrans-68.6-17.9-178.728.5-36000113.8G138G138-P140 VanDerWaalsContact C-CD 3.47Å; G138-P140 WeakPolarHBondContact O-CD 3.36Å
141R93.2Very high91.6Very high128 Ų12834.9 Ų34.948%0.48318%0.182SC..THydrogen-bonded Turntrans-93.711179.5-64.9-176175.7-165.4-7113.5L116 C139 Q143L116-R141 CarbonylContact O-C 3.49Å; L116-R141 VanDerWaalsContact O-C 3.27Å; C139-R141 PolarHBondContact O-N 3.31Å; R141-Q143 PolarHBondContact O-N 3.32Å
142L94.4Very high91.4Very high0 Ų036.6 Ų36.60%019%0.189CC..  trans-64.3125.1-178.1-168.868.6000110.6L116 V119 L135 C139 L145 L161 C165 A167 L168L116-L142 WeakPolarHBondContact O-CA 3.28Å; L116-L142 PolarHBondContact O-N 2.9Å; V119-L142 HydrophobicContact CB-CD1 4.03Å; V119-L142 HydrophobicContact CG2-CD1 3.64Å; L135-L142 HydrophobicContact CD2-CD2 4.44Å; C139-L142 HydrophobicContact CB-CB 4.31Å; C139-L142 WeakPolarHBondContact O-CB 3.38Å; C139-L142 PolarHBondContact O-N 3.05Å; L142-L145 HydrophobicContact CD2-CB 4.1Å; L142-L145 HydrophobicContact CD2-CD2 4.12Å; L142-L145 HydrophobicContact CD2-CG 4.5Å; L142-L161 HydrophobicContact CD2-CD1 4.34Å; L142-C165 HydrophobicContact CB-CB 4.48Å; L142-A167 CarbonylContact O-C 3.56Å; L142-L168 HydrophobicContact CD2-CD1 4.38Å; L142-L168 HydrophobicContact CG-CD1 4.31Å; L142-L168 WeakPolarHBondContact O-CA 3.44Å; L142-L168 PolarHBondContact O-N 3.38Å
143Q95.1Very high91.3Very high43 Ų4336.6 Ų36.620%0.20119%0.189CC..  trans-110.3-39.7-179.5-63.2-177.7-46.600112R117 R141 A167 E169 E170R117-Q143 HydrophobicContact CB-CG 4.47Å; R117-Q143 CarbonylContact O-C 3.59Å; R117-Q143 WeakPolarHBondContact O-CA 3.4Å; R117-Q143 PolarHBondContact O-N 3.46Å; R141-Q143 PolarHBondContact O-N 3.32Å; Q143-A167 WeakPolarHBondContact CA-O 3.5Å; Q143-A167 HydrophobicContact CG-CB 4.33Å; Q143-E169 PolarHBondContact O-N 3.28Å; Q143-E170 PolarHBondContact O-N 3.09Å
144R95.4Very high90.9Very high74 Ų7437.2 Ų37.228%0.27919%0.185SC..EExtended strand (participates in β ladder)trans-126.1129.1-178.1-58.5-172.8-70.7-83.20.3110.3E91 R117 S118 V119 E170E91-R144 IonicContact OE1-NH2 3.99Å; R117-R144 PolarHBondContact O-N 3.31Å; S118-R144 CarbonylContact C-O 3.59Å; S118-R144 WeakPolarHBondContact CA-O 3.31Å; S118-R144 PolarHBondContact OG-NE 2.81Å; V119-R144 PolarHBondContact N-O 3.01Å; R144-E170 CarbonylContact C-O 3.58Å; R144-E170 WeakPolarHBondContact CA-O 3.38Å; R144-E170 HydrophobicContact CB-CB 4.3Å; R144-E170 VanDerWaalsContact CD-CD 3.49Å; R144-E170 WeakPolarHBondContact CD-OE2 3.44Å; R144-E170 HydrophobicContact CG-CB 3.92Å; R144-E170 HydrophobicContact CG-CG 4.03Å; R144-E170 WeakPolarHBondContact CG-OE2 3.4Å
145L94.8Very high90.7Very high4 Ų437.4 Ų37.42%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-135.2123.4176.317858.7000110.2V119 L135 L142 L147 L161 L168 E170 L171 D172V119-L145 HydrophobicContact CB-CD1 4Å; V119-L145 HydrophobicContact CG1-CD1 4Å; V119-L145 CarbonylContact O-C 3.5Å; V119-L145 VanDerWaalsContact O-CA 3.29Å; V119-L145 WeakPolarHBondContact O-CA 3.25Å; L135-L145 HydrophobicContact CD1-CD1 4.03Å; L135-L145 HydrophobicContact CD1-CD2 4.46Å; L142-L145 HydrophobicContact CD2-CB 4.1Å; L142-L145 HydrophobicContact CD2-CD2 4.12Å; L142-L145 HydrophobicContact CD2-CG 4.5Å; L145-L147 HydrophobicContact CD1-CD2 3.97Å; L145-L147 HydrophobicContact CD1-CG 4.03Å; L145-L147 HydrophobicContact CD2-CD1 3.91Å; L145-L147 HydrophobicContact CD2-CG 4.2Å; L145-L147 HydrophobicContact CG-CD1 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.4Å; L145-L147 HydrophobicContact CG-CG 3.92Å; L145-L161 HydrophobicContact CD2-CD1 3.38Å; L145-L161 HydrophobicContact CD2-CD2 4.29Å; L145-L161 HydrophobicContact CD2-CG 4.49Å; L145-L168 HydrophobicContact CB-CD1 4.21Å; L145-E170 PolarHBondContact N-O 3.14Å; L145-L171 HydrophobicContact CB-CD1 3.82Å; L145-L171 HydrophobicContact CD2-CD1 3.88Å; L145-L171 HydrophobicContact CG-CD1 3.88Å; L145-L171 CarbonylContact O-C 3.43Å; L145-L171 WeakPolarHBondContact O-CA 3.42Å; L145-D172 PolarHBondContact O-N 2.97Å
146S93.1Very high90.4Very high28 Ų2843.9 Ų43.920%0.19622%0.223CC..EExtended strand (participates in β ladder)trans-113.1122.8168.7176.80000110.4V119 L121 D172V119-S146 PolarHBondContact O-N 2.93Å; L121-S146 PolarHBondContact N-O 2.96Å; S146-D172 PolarHBondContact OG-OD2 3.28Å
147L91.1Very high90.1Very high0 Ų044.3 Ų44.30%023%0.226CC..  trans-121.927.2176.1-61.4173.6000110.2L121 L132 L145 H149 C150 W152 V153 D172 L173 C176L121-L147 HydrophobicContact CB-CD2 4.11Å; L121-L147 HydrophobicContact CD1-CD2 4.17Å; L132-L147 HydrophobicContact CD1-CD1 3.91Å; L132-L147 HydrophobicContact CD2-CD1 4.43Å; L132-L147 HydrophobicContact CG-CD1 4.24Å; L145-L147 HydrophobicContact CD1-CD2 3.97Å; L145-L147 HydrophobicContact CD1-CG 4.03Å; L145-L147 HydrophobicContact CD2-CD1 3.91Å; L145-L147 HydrophobicContact CD2-CG 4.2Å; L145-L147 HydrophobicContact CG-CD1 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.4Å; L145-L147 HydrophobicContact CG-CG 3.92Å; L147-H149 PolarHBondContact O-N 2.84Å; L147-C150 HydrophobicContact CB-CB 4.26Å; L147-C150 WeakPolarHBondContact O-CB 3.36Å; L147-C150 PolarHBondContact O-N 2.86Å; L147-C150 VanDerWaalsContact O-N 3.07Å; L147-C150 PolarHBondContact O-SG 3.27Å; L147-C150 VanDerWaalsContact O-SG 3.36Å; L147-W152 HydrophobicContact CD2-CH2 3.9Å; L147-W152 HydrophobicContact CD2-CZ2 4.14Å; L147-V153 HydrophobicContact CB-CG2 4.07Å; L147-V153 HydrophobicContact CD1-CG1 4.33Å; L147-V153 HydrophobicContact CD1-CG2 3.83Å; L147-V153 HydrophobicContact CG-CG2 4.42Å; L147-D172 PolarHBondContact N-O 3.24Å; L147-L173 HydrophobicContact CB-CD2 4.22Å; L147-L173 HydrophobicContact CD1-CD2 4.03Å; L147-C176 PolarHBondContact O-SG 3.36Å
148A89.9Confident90Very high13 Ų1338.4 Ų38.411%0.10720%0.198CC..THydrogen-bonded Turntrans-54.6137.2-178.200000111.8G122 G123 C150 T174G122-A148 CarbonylContact C-O 3.5Å; G122-A148 WeakPolarHBondContact CA-O 3.38Å; G123-A148 PolarHBondContact N-O 2.83Å; A148-C150 PolarHBondContact O-N 2.57Å; A148-T174 CarbonylContact C-O 3.55Å; A148-T174 VanDerWaalsContact CA-O 3.28Å; A148-T174 WeakPolarHBondContact CA-O 3.48Å
149H88Confident90Very high125 Ų12541.8 Ų41.858%0.57921%0.207SC*.THydrogen-bonded Turntrans58.925.5-177-53.8-78.3000114.5L147 T174 A175L147-H149 PolarHBondContact O-N 2.84Å; H149-T174 PolarHBondContact N-O 3.32Å; H149-A175 WeakPolarHBondContact ND1-CB 3.46Å
150C87.9Confident89.9Confident0 Ų042.9 Ų42.90%022%0.218CC..  trans-96.996.3172.9-65.90000110.8L121 L147 A148 W152 V153 C176L121-C150 PolarHBondContact O-SG 2.9Å; L147-C150 HydrophobicContact CB-CB 4.26Å; L147-C150 WeakPolarHBondContact O-CB 3.36Å; L147-C150 PolarHBondContact O-N 2.86Å; L147-C150 VanDerWaalsContact O-N 3.07Å; L147-C150 PolarHBondContact O-SG 3.27Å; L147-C150 VanDerWaalsContact O-SG 3.36Å; A148-C150 PolarHBondContact O-N 2.57Å; C150-W152 HydrophobicContact CB-CD2 4.3Å; C150-W152 HydrophobicContact CB-CZ2 3.93Å; C150-W152 PolarHBondContact O-N 3.04Å; C150-V153 HydrophobicContact CB-CG2 3.64Å; C150-V153 WeakPolarHBondContact O-CG2 3.22Å; C150-V153 PolarHBondContact O-N 3.36Å; C150-C176 PolarHBondContact O-SG 2.91Å; C150-C176 VanDerWaalsContact O-SG 3.36Å
151D85.4Confident89.9Confident68 Ų6840 Ų4036%0.36420%0.199SC..THydrogen-bonded Turntrans-71.9-9.2177.9-76.7-29.2000113.4V153 R177 Q178D151-V153 VanDerWaalsContact C-N 3.34Å; D151-R177 WeakPolarHBondContact OD1-CB 3.37Å; D151-R177 WeakPolarHBondContact OD1-CG 3.31Å; D151-R177 PolarHBondContact OD1-N 3.37Å; D151-R177 IonicContact OD2-NH1 2.61Å; D151-R177 PolarHBondContact OD2-NH1 2.94Å; D151-R177 VanDerWaalsContact OD2-NH1 3.16Å; D151-Q178 WeakPolarHBondContact O-CG 3.2Å
152W87.1Confident89.7Confident36 Ų3633.9 Ų33.914%0.13618%0.176CC..THydrogen-bonded Turntrans-86.4-2.7177.654.3-96.9000114C124 L127 S128 A131 L132 L147 C150 D154C124-W152 PolarHBondContact O-NE1 3.41Å; L127-W152 HydrophobicContact CB-CD2 4.03Å; L127-W152 HydrophobicContact CB-CE3 4.49Å; L127-W152 HydrophobicContact CB-CH2 4.08Å; L127-W152 HydrophobicContact CB-CZ2 3.58Å; L127-W152 HydrophobicContact CB-CZ3 4.49Å; L127-W152 HydrophobicContact CD1-CH2 4.23Å; L127-W152 HydrophobicContact CD1-CZ2 3.74Å; L127-W152 HydrophobicContact CG-CZ2 4.31Å; L127-W152 WeakPolarHBondContact O-CB 3.31Å; S128-W152 VanDerWaalsContact C-CE3 3.43Å; S128-W152 VanDerWaalsContact O-CZ3 3.31Å; S128-W152 WeakPolarHBondContact O-CZ3 3.24Å; A131-W152 HydrophobicContact CB-CH2 4.42Å; A131-W152 HydrophobicContact CB-CZ3 4.47Å; L132-W152 HydrophobicContact CB-CZ3 4.1Å; L132-W152 HydrophobicContact CD1-CE3 4.36Å; L132-W152 HydrophobicContact CD1-CH2 4.37Å; L132-W152 HydrophobicContact CD1-CZ3 3.69Å; L132-W152 HydrophobicContact CG-CZ3 4.04Å; L147-W152 HydrophobicContact CD2-CH2 3.9Å; L147-W152 HydrophobicContact CD2-CZ2 4.14Å; C150-W152 HydrophobicContact CB-CD2 4.3Å; C150-W152 HydrophobicContact CB-CZ2 3.93Å; C150-W152 PolarHBondContact O-N 3.04Å; W152-D154 PolarHBondContact O-N 3.07Å
153V87.6Confident89.6Confident0 Ų037.1 Ų37.10%019%0.193CC..  trans-77.1113.4179.9177.90000109.6L132 L147 C150 D151 L173 L179L132-V153 HydrophobicContact CD1-CB 4.22Å; L132-V153 HydrophobicContact CD1-CG1 3.78Å; L132-V153 HydrophobicContact CD1-CG2 3.92Å; L147-V153 HydrophobicContact CB-CG2 4.07Å; L147-V153 HydrophobicContact CD1-CG1 4.33Å; L147-V153 HydrophobicContact CD1-CG2 3.83Å; L147-V153 HydrophobicContact CG-CG2 4.42Å; C150-V153 HydrophobicContact CB-CG2 3.64Å; C150-V153 WeakPolarHBondContact O-CG2 3.22Å; C150-V153 PolarHBondContact O-N 3.36Å; D151-V153 VanDerWaalsContact C-N 3.34Å; V153-L173 HydrophobicContact CG1-CD2 4.42Å; V153-L179 HydrophobicContact CG1-CD1 4.47Å; V153-L179 HydrophobicContact CG1-CD2 4.01Å; V153-L179 HydrophobicContact CG1-CG 4.32Å
154D84.6Confident89.4Confident41 Ų4141.3 Ų41.322%0.21921%0.208CC..  trans-106161177.174.634.7000112.5W152 L156 A157 L158W152-D154 PolarHBondContact O-N 3.07Å; D154-L156 VanDerWaalsContact C-N 3.32Å; D154-L156 PolarHBondContact O-N 2.82Å; D154-L156 PolarHBondContact OD1-N 3.26Å; D154-L156 VanDerWaalsContact OD1-N 3.12Å; D154-A157 PolarHBondContact O-N 3.4Å; D154-A157 WeakPolarHBondContact OD1-CB 3.36Å; D154-A157 PolarHBondContact OD1-N 3.4Å; D154-L158 PolarHBondContact O-N 3.2Å; D154-L158 VanDerWaalsContact O-N 3.11Å
155G86.4Confident89.2Confident20 Ų2037.8 Ų37.821%0.20619%0.194CC..Hα-helixtrans-65.6-30.5-178.300000114.1L158 R159 A183G155-L158 PolarHBondContact O-N 3.3Å; G155-R159 VanDerWaalsContact O-CG 3.28Å; G155-R159 WeakPolarHBondContact O-CG 3.14Å; G155-R159 PolarHBondContact O-N 3.21Å; G155-A183 VanDerWaalsContact CA-CB 3.5Å
156L86.5Confident89Confident136 Ų13641.8 Ų41.871%0.71222%0.22SC*.Hα-helixtrans-68.8-44.8179.9-73.5168.6000111.1D154 L158 R159 G160D154-L156 VanDerWaalsContact C-N 3.32Å; D154-L156 PolarHBondContact O-N 2.82Å; D154-L156 PolarHBondContact OD1-N 3.26Å; D154-L156 VanDerWaalsContact OD1-N 3.12Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-R159 WeakPolarHBondContact O-CB 3.28Å; L156-R159 PolarHBondContact O-N 3.38Å; L156-G160 PolarHBondContact O-N 2.86Å; L156-G160 VanDerWaalsContact O-N 3.14Å
157A85.6Confident88.9Confident14 Ų1442.1 Ų42.112%0.11623%0.225CC..Hα-helixtrans-63.5-39.7175.800000111R129 L132 D154 R159 G160 L161R129-A157 HydrophobicContact CB-CB 4.13Å; L132-A157 HydrophobicContact CB-CB 3.92Å; L132-A157 HydrophobicContact CD1-CB 4.08Å; L132-A157 HydrophobicContact CG-CB 4.43Å; D154-A157 PolarHBondContact O-N 3.4Å; D154-A157 WeakPolarHBondContact OD1-CB 3.36Å; D154-A157 PolarHBondContact OD1-N 3.4Å; A157-R159 PolarHBondContact O-N 3.31Å; A157-G160 PolarHBondContact O-N 3.39Å; A157-L161 PolarHBondContact O-N 3.22Å; A157-L161 VanDerWaalsContact O-N 3.09Å
158L89.8Confident89Confident0 Ų042.1 Ų42.10%023%0.225CC..Hα-helixtrans-62.5-40.1174.8-166.968.1000112.5D154 G155 L156 L161 A162 L171 L173 L179 A183 I184 L187D154-L158 PolarHBondContact O-N 3.2Å; D154-L158 VanDerWaalsContact O-N 3.11Å; G155-L158 PolarHBondContact O-N 3.3Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L158-L161 PolarHBondContact O-N 3.1Å; L158-A162 WeakPolarHBondContact O-CB 3.11Å; L158-A162 PolarHBondContact O-N 2.94Å; L158-L171 HydrophobicContact CD1-CD2 4.08Å; L158-L173 HydrophobicContact CD1-CD1 4.21Å; L158-L173 HydrophobicContact CD1-CD2 4.44Å; L158-L173 HydrophobicContact CD2-CD1 4.09Å; L158-L179 HydrophobicContact CD2-CD2 3.94Å; L158-A183 HydrophobicContact CD2-CB 4.06Å; L158-I184 HydrophobicContact CD2-CD1 4.07Å; L158-L187 HydrophobicContact CD1-CD1 3.77Å; L158-L187 HydrophobicContact CD2-CB 4.49Å; L158-L187 HydrophobicContact CD2-CD1 4.07Å; L158-L187 HydrophobicContact CG-CD1 3.79Å
159R90.5Very high89.2Confident86 Ų8643.6 Ų43.633%0.32523%0.229SC..Hα-helixtrans-60.6-44.1174-69.6-179.6-178-176.62.7111.6G155 L156 A157 L161 A162 D163 Y186G155-R159 VanDerWaalsContact O-CG 3.28Å; G155-R159 WeakPolarHBondContact O-CG 3.14Å; G155-R159 PolarHBondContact O-N 3.21Å; L156-R159 WeakPolarHBondContact O-CB 3.28Å; L156-R159 PolarHBondContact O-N 3.38Å; A157-R159 PolarHBondContact O-N 3.31Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 2.98Å; R159-A162 CarbonylContact O-C 3.41Å; R159-A162 PolarHBondContact O-N 2.84Å; R159-A162 VanDerWaalsContact O-N 3.17Å; R159-D163 PolarHBondContact O-N 2.91Å; R159-Y186 HydrophobicContact CB-CD1 3.93Å; R159-Y186 HydrophobicContact CB-CE1 3.73Å; R159-Y186 HydrophobicContact CG-CD1 3.47Å; R159-Y186 VanDerWaalsContact CG-CD1 3.47Å; R159-Y186 HydrophobicContact CG-CD2 4.36Å; R159-Y186 HydrophobicContact CG-CE1 3.76Å; R159-Y186 HydrophobicContact CG-CG 3.78Å
160G89.9Confident89.5Confident23 Ų2341.5 Ų41.524%0.23722%0.22CC..Hα-helixtrans-57.9-42.717600000112.5L156 A157 D163 R164L156-G160 PolarHBondContact O-N 2.86Å; L156-G160 VanDerWaalsContact O-N 3.14Å; A157-G160 PolarHBondContact O-N 3.39Å; G160-D163 PolarHBondContact O-N 3.19Å; G160-R164 WeakPolarHBondContact O-CG 3.49Å; G160-R164 PolarHBondContact O-N 2.74Å
161L91Very high89.8Confident0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-65.2-44.6174.9-170.3134.2000111.9L132 L135 A136 L142 L145 A157 L158 R159 D163 R164 C165 L168L132-L161 HydrophobicContact CD2-CB 4.03Å; L132-L161 HydrophobicContact CD2-CD1 3.55Å; L132-L161 HydrophobicContact CD2-CG 4.4Å; L135-L161 HydrophobicContact CB-CD1 4.45Å; A136-L161 HydrophobicContact CB-CB 4.38Å; L142-L161 HydrophobicContact CD2-CD1 4.34Å; L145-L161 HydrophobicContact CD2-CD1 3.38Å; L145-L161 HydrophobicContact CD2-CD2 4.29Å; L145-L161 HydrophobicContact CD2-CG 4.49Å; A157-L161 PolarHBondContact O-N 3.22Å; A157-L161 VanDerWaalsContact O-N 3.09Å; L158-L161 PolarHBondContact O-N 3.1Å; R159-L161 VanDerWaalsContact C-N 3.3Å; R159-L161 PolarHBondContact O-N 2.98Å; L161-D163 PolarHBondContact O-N 2.96Å; L161-R164 PolarHBondContact O-N 2.9Å; L161-C165 HydrophobicContact CG-CB 4.41Å; L161-C165 WeakPolarHBondContact O-CB 3.34Å; L161-C165 PolarHBondContact O-N 3.43Å; L161-L168 HydrophobicContact CD2-CD1 4.47Å; L161-L168 HydrophobicContact CD2-CD2 3.54Å
162A90.3Very high90.1Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-66.4-10.7174.800000113.9L158 R159 Y186 L187 R190 R191L158-A162 WeakPolarHBondContact O-CB 3.11Å; L158-A162 PolarHBondContact O-N 2.94Å; R159-A162 CarbonylContact O-C 3.41Å; R159-A162 PolarHBondContact O-N 2.84Å; R159-A162 VanDerWaalsContact O-N 3.17Å; A162-Y186 HydrophobicContact CB-CD1 4.28Å; A162-Y186 HydrophobicContact CB-CE1 4.31Å; A162-L187 HydrophobicContact CB-CB 4.42Å; A162-L187 HydrophobicContact CB-CD1 4.22Å; A162-L187 HydrophobicContact CB-CG 4.36Å; A162-R190 HydrophobicContact CB-CB 4.3Å; A162-R191 VanDerWaalsContact C-CZ 3.5Å; A162-R191 VanDerWaalsContact C-NH2 3.33Å; A162-R191 HydrophobicContact CB-CG 4.43Å; A162-R191 PolarHBondContact O-NE 3.24Å; A162-R191 PolarHBondContact O-NH1 3.43Å; A162-R191 PolarHBondContact O-NH2 3.03Å
163D91Very high90.3Very high68 Ų6838.8 Ų38.836%0.36421%0.208SC..Hα-helixtrans-98.2-39.4173.6-72-28.2000111.2R159 G160 L161 Y186 R190 R191R159-D163 PolarHBondContact O-N 2.91Å; G160-D163 PolarHBondContact O-N 3.19Å; L161-D163 PolarHBondContact O-N 2.96Å; D163-Y186 VanDerWaalsContact CG-OH 3.29Å; D163-Y186 PolarHBondContact OD1-OH 2.67Å; D163-Y186 PolarHBondContact OD2-OH 3.27Å; D163-R190 IonicContact OD1-CZ 3.18Å; D163-R190 IonicContact OD1-NE 3.91Å; D163-R190 PolarHBondContact OD1-NE 3.42Å; D163-R190 IonicContact OD1-NH2 2.84Å; D163-R191 PolarHBondContact O-NH2 2.62Å
164R91.1Very high90.5Very high132 Ų13240 Ų4050%0.49822%0.216SC..Hα-helixtrans-100.2-14.4-170.2-56.2-170.4-165.7-162.321.2116.2A136 E137 G160 L161 P166A136-R164 HydrophobicContact CB-CB 4.26Å; A136-R164 WeakPolarHBondContact O-CB 3.3Å; E137-R164 VanDerWaalsContact CD-NH1 3.33Å; E137-R164 VanDerWaalsContact CG-NH1 3.27Å; E137-R164 IonicContact OE1-CZ 3.65Å; E137-R164 IonicContact OE1-NH1 3.41Å; E137-R164 PolarHBondContact OE1-NH1 3.3Å; E137-R164 IonicContact OE1-NH2 3.05Å; E137-R164 PolarHBondContact OE1-NH2 3.15Å; G160-R164 WeakPolarHBondContact O-CG 3.49Å; G160-R164 PolarHBondContact O-N 2.74Å; L161-R164 PolarHBondContact O-N 2.9Å; R164-P166 VanDerWaalsContact C-CD 3.47Å; R164-P166 WeakPolarHBondContact O-CD 3.3Å
165C91.8Very high90.6Very high0 Ų038.3 Ų38.30%021%0.207CC..  trans-107.381.1176.6-60.70000110.8C139 L142 L161 A167 R191C139-C165 PolarHBondContact O-SG 2.88Å; L142-C165 HydrophobicContact CB-CB 4.48Å; L161-C165 HydrophobicContact CG-CB 4.41Å; L161-C165 WeakPolarHBondContact O-CB 3.34Å; L161-C165 PolarHBondContact O-N 3.43Å; C165-A167 VanDerWaalsContact C-N 3.27Å; C165-A167 PolarHBondContact O-N 3Å; C165-R191 VanDerWaalsContact C-NH2 3.28Å; C165-R191 PolarHBondContact O-NE 3.47Å; C165-R191 PolarHBondContact O-NH2 3.37Å
166P90.1Very high90.7Very high87 Ų8737.4 Ų37.457%0.56520%0.198SC*.THydrogen-bonded Turntrans-70.3-21.2-176.228.9-36.8000113.8R164 L168R164-P166 VanDerWaalsContact C-CD 3.47Å; R164-P166 WeakPolarHBondContact O-CD 3.3Å; P166-L168 VanDerWaalsContact C-N 3.3Å; P166-L168 PolarHBondContact O-N 3.47Å
167A91.4Very high90.6Very high36 Ų3637.5 Ų37.530%0.29819%0.189SC..THydrogen-bonded Turntrans-87.67.8-177.900000113.8L142 Q143 C165 E169L142-A167 CarbonylContact O-C 3.56Å; Q143-A167 WeakPolarHBondContact CA-O 3.5Å; Q143-A167 HydrophobicContact CG-CB 4.33Å; C165-A167 VanDerWaalsContact C-N 3.27Å; C165-A167 PolarHBondContact O-N 3Å; A167-E169 PolarHBondContact O-N 3.19Å
168L92.8Very high90.5Very high0 Ų042.6 Ų42.60%021%0.21CC..  trans-69.2119.8-175.4-167.875.5000110.9L142 L145 L161 P166 L171 G194 L195L142-L168 HydrophobicContact CD2-CD1 4.38Å; L142-L168 HydrophobicContact CG-CD1 4.31Å; L142-L168 WeakPolarHBondContact O-CA 3.44Å; L142-L168 PolarHBondContact O-N 3.38Å; L145-L168 HydrophobicContact CB-CD1 4.21Å; L161-L168 HydrophobicContact CD2-CD1 4.47Å; L161-L168 HydrophobicContact CD2-CD2 3.54Å; P166-L168 VanDerWaalsContact C-N 3.3Å; P166-L168 PolarHBondContact O-N 3.47Å; L168-L171 HydrophobicContact CD2-CB 4.3Å; L168-L171 HydrophobicContact CD2-CD2 4.22Å; L168-G194 CarbonylContact O-C 3.59Å; L168-L195 HydrophobicContact CD2-CD1 4.2Å; L168-L195 HydrophobicContact CG-CD1 4.21Å
169E94.2Very high90.3Very high43 Ų4342.7 Ų42.720%0.20121%0.21CC..  trans-112.7-37-177.8-68.3178.4-149.700111.9Q143 A167 L195 R196 S197Q143-E169 PolarHBondContact O-N 3.28Å; A167-E169 PolarHBondContact O-N 3.19Å; E169-L195 CarbonylContact O-C 3.52Å; E169-R196 HydrophobicContact CB-CG 4.39Å; E169-R196 WeakPolarHBondContact O-CA 3.09Å; E169-R196 PolarHBondContact O-N 3.5Å; E169-R196 IonicContact OE2-CZ 3.35Å; E169-R196 IonicContact OE2-NE 2.78Å; E169-R196 IonicContact OE2-NH1 2.74Å; E169-R196 PolarHBondContact OE2-NH1 2.76Å; E169-S197 PolarHBondContact O-N 3.4Å
170E94.6Very high90.1Very high82 Ų8245.1 Ų45.138%0.38322%0.223SC..EExtended strand (participates in β ladder)trans-129.6128.7-177.3-53.4173.8-164.200110.3Q143 R144 L145 S197Q143-E170 PolarHBondContact O-N 3.09Å; R144-E170 CarbonylContact C-O 3.58Å; R144-E170 WeakPolarHBondContact CA-O 3.38Å; R144-E170 HydrophobicContact CB-CB 4.3Å; R144-E170 VanDerWaalsContact CD-CD 3.49Å; R144-E170 WeakPolarHBondContact CD-OE2 3.44Å; R144-E170 HydrophobicContact CG-CB 3.92Å; R144-E170 HydrophobicContact CG-CG 4.03Å; R144-E170 WeakPolarHBondContact CG-OE2 3.4Å; L145-E170 PolarHBondContact N-O 3.14Å; E170-S197 WeakPolarHBondContact CA-O 3.46Å
171L93.9Very high89.9Confident3 Ų347.5 Ų47.52%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-135.9122.8178.5-177.961.6000110.4L145 L158 L168 L173 L187 L195 S197 L198 S199L145-L171 HydrophobicContact CB-CD1 3.82Å; L145-L171 HydrophobicContact CD2-CD1 3.88Å; L145-L171 HydrophobicContact CG-CD1 3.88Å; L145-L171 CarbonylContact O-C 3.43Å; L145-L171 WeakPolarHBondContact O-CA 3.42Å; L158-L171 HydrophobicContact CD1-CD2 4.08Å; L168-L171 HydrophobicContact CD2-CB 4.3Å; L168-L171 HydrophobicContact CD2-CD2 4.22Å; L171-L173 HydrophobicContact CD1-CD2 3.96Å; L171-L173 HydrophobicContact CD1-CG 4.27Å; L171-L173 HydrophobicContact CD2-CD1 3.83Å; L171-L173 HydrophobicContact CD2-CD2 4.36Å; L171-L173 HydrophobicContact CD2-CG 4.11Å; L171-L173 HydrophobicContact CG-CD1 4.14Å; L171-L173 HydrophobicContact CG-CD2 4.11Å; L171-L173 HydrophobicContact CG-CG 3.87Å; L171-L187 HydrophobicContact CD2-CD1 3.42Å; L171-L187 VanDerWaalsContact CD2-CD1 3.42Å; L171-L187 HydrophobicContact CD2-CD2 4.13Å; L171-L187 HydrophobicContact CD2-CG 4.44Å; L171-L195 HydrophobicContact CB-CD1 4.13Å; L171-S197 PolarHBondContact N-O 3.12Å; L171-L198 HydrophobicContact CB-CD1 4.06Å; L171-L198 HydrophobicContact CD2-CD1 4.1Å; L171-L198 HydrophobicContact CG-CD1 4.15Å; L171-L198 VanDerWaalsContact O-CA 3.31Å; L171-L198 WeakPolarHBondContact O-CA 3.32Å; L171-S199 PolarHBondContact O-N 3.15Å
172D92.8Very high89.8Confident43 Ų4353.9 Ų53.923%0.2326%0.261CS..EExtended strand (participates in β ladder)trans-112.3111177.3171.822.1000109.9L145 S146 L147 T174L145-D172 PolarHBondContact O-N 2.97Å; S146-D172 PolarHBondContact OG-OD2 3.28Å; L147-D172 PolarHBondContact N-O 3.24Å; D172-T174 VanDerWaalsContact OD1-CB 3.22Å; D172-T174 WeakPolarHBondContact OD1-CB 3.45Å; D172-T174 PolarHBondContact OD1-N 3.48Å; D172-T174 PolarHBondContact OD1-OG1 2.87Å
173L91.5Very high89.7Confident0 Ų054.1 Ų54.10%026%0.262CS..  trans-116.831.7178.5-56.7172.7000110.4L147 V153 L158 L171 A175 C176 L179 I184 L198 S199 L200 N203L147-L173 HydrophobicContact CB-CD2 4.22Å; L147-L173 HydrophobicContact CD1-CD2 4.03Å; V153-L173 HydrophobicContact CG1-CD2 4.42Å; L158-L173 HydrophobicContact CD1-CD1 4.21Å; L158-L173 HydrophobicContact CD1-CD2 4.44Å; L158-L173 HydrophobicContact CD2-CD1 4.09Å; L171-L173 HydrophobicContact CD1-CD2 3.96Å; L171-L173 HydrophobicContact CD1-CG 4.27Å; L171-L173 HydrophobicContact CD2-CD1 3.83Å; L171-L173 HydrophobicContact CD2-CD2 4.36Å; L171-L173 HydrophobicContact CD2-CG 4.11Å; L171-L173 HydrophobicContact CG-CD1 4.14Å; L171-L173 HydrophobicContact CG-CD2 4.11Å; L171-L173 HydrophobicContact CG-CG 3.87Å; L173-A175 PolarHBondContact O-N 2.84Å; L173-C176 HydrophobicContact CB-CB 4.41Å; L173-C176 PolarHBondContact O-N 3.01Å; L173-L179 HydrophobicContact CB-CD1 3.69Å; L173-L179 HydrophobicContact CD1-CD1 3.64Å; L173-L179 HydrophobicContact CD2-CD1 4.2Å; L173-L179 HydrophobicContact CG-CD1 4.02Å; L173-I184 HydrophobicContact CD1-CD1 3.94Å; L173-L198 HydrophobicContact CD1-CD1 4.3Å; L173-S199 CarbonylContact C-O 3.27Å; L173-S199 WeakPolarHBondContact CA-O 3.27Å; L173-S199 PolarHBondContact N-O 2.53Å; L173-L200 HydrophobicContact CB-CD2 4.18Å; L173-L200 HydrophobicContact CD1-CD2 4.13Å; L173-N203 PolarHBondContact O-ND2 3.42Å; L173-N203 PolarHBondContact O-OD1 3.5Å
174T90.6Very high89.5Confident27 Ų2751.8 Ų51.817%0.16625%0.25CC..THydrogen-bonded Turntrans-58.8130.8178.7-59.50000110.5A148 H149 D172 C176 S199 A201A148-T174 CarbonylContact C-O 3.55Å; A148-T174 VanDerWaalsContact CA-O 3.28Å; A148-T174 WeakPolarHBondContact CA-O 3.48Å; H149-T174 PolarHBondContact N-O 3.32Å; D172-T174 VanDerWaalsContact OD1-CB 3.22Å; D172-T174 WeakPolarHBondContact OD1-CB 3.45Å; D172-T174 PolarHBondContact OD1-N 3.48Å; D172-T174 PolarHBondContact OD1-OG1 2.87Å; T174-C176 VanDerWaalsContact C-N 3.28Å; T174-C176 PolarHBondContact O-N 3.43Å; T174-S199 PolarHBondContact OG1-OG 3.48Å; T174-A201 CarbonylContact C-O 3.58Å; T174-A201 WeakPolarHBondContact CA-O 3.42Å; T174-A201 HydrophobicContact CG2-CB 4.04Å
175A87.1Confident89.4Confident5 Ų549.1 Ų49.14%0.04125%0.248CC..THydrogen-bonded Turntrans54.836178.500000114.9H149 L173 R177 A201 V202H149-A175 WeakPolarHBondContact ND1-CB 3.46Å; L173-A175 PolarHBondContact O-N 2.84Å; A175-R177 PolarHBondContact O-N 3.01Å; A175-A201 PolarHBondContact N-O 3.12Å; A175-V202 HydrophobicContact CB-CB 4.22Å; A175-V202 HydrophobicContact CB-CG1 4.47Å
176C88.3Confident89.4Confident0 Ų051.3 Ų51.30%026%0.257CS..  trans-91.582.4171.4-76.60000110.5L147 C150 L173 T174 Q178 L179 N203L147-C176 PolarHBondContact O-SG 3.36Å; C150-C176 PolarHBondContact O-SG 2.91Å; C150-C176 VanDerWaalsContact O-SG 3.36Å; L173-C176 HydrophobicContact CB-CB 4.41Å; L173-C176 PolarHBondContact O-N 3.01Å; T174-C176 VanDerWaalsContact C-N 3.28Å; T174-C176 PolarHBondContact O-N 3.43Å; C176-Q178 PolarHBondContact O-N 3.11Å; C176-L179 HydrophobicContact CB-CD1 3.48Å; C176-L179 VanDerWaalsContact CB-CD1 3.48Å; C176-L179 HydrophobicContact CB-CG 3.99Å; C176-L179 WeakPolarHBondContact O-CB 3.26Å; C176-L179 PolarHBondContact O-N 3.16Å; C176-L179 VanDerWaalsContact O-N 3.12Å; C176-N203 VanDerWaalsContact C-OD1 3.23Å; C176-N203 WeakPolarHBondContact CA-OD1 3.42Å; C176-N203 PolarHBondContact N-OD1 3.47Å; C176-N203 PolarHBondContact O-OD1 2.76Å
177R83.8Confident89.4Confident139 Ų13947.2 Ų47.253%0.52523%0.23SC..THydrogen-bonded Turntrans-66.4-17.5-165.1-60.5179.5-177.4126.7-7.5115.6D151 A175 L179 N205D151-R177 WeakPolarHBondContact OD1-CB 3.37Å; D151-R177 WeakPolarHBondContact OD1-CG 3.31Å; D151-R177 PolarHBondContact OD1-N 3.37Å; D151-R177 IonicContact OD2-NH1 2.61Å; D151-R177 PolarHBondContact OD2-NH1 2.94Å; D151-R177 VanDerWaalsContact OD2-NH1 3.16Å; A175-R177 PolarHBondContact O-N 3.01Å; R177-L179 VanDerWaalsContact C-N 3.35Å; R177-N205 PolarHBondContact O-ND2 2.93Å
178Q84.5Confident89.2Confident121 Ų12147.8 Ų47.857%0.56524%0.235SC*.THydrogen-bonded Turntrans-84.7-7.3179-67.2-62.5-49.700113.8D151 C176D151-Q178 WeakPolarHBondContact O-CG 3.2Å; C176-Q178 PolarHBondContact O-N 3.11Å
179L85.8Confident89Confident1 Ų155 Ų551%0.00527%0.268CS..  trans-71.6148.3177.8-74.5173.3000112V153 L158 L173 C176 R177 A183 I184 N205 V206V153-L179 HydrophobicContact CG1-CD1 4.47Å; V153-L179 HydrophobicContact CG1-CD2 4.01Å; V153-L179 HydrophobicContact CG1-CG 4.32Å; L158-L179 HydrophobicContact CD2-CD2 3.94Å; L173-L179 HydrophobicContact CB-CD1 3.69Å; L173-L179 HydrophobicContact CD1-CD1 3.64Å; L173-L179 HydrophobicContact CD2-CD1 4.2Å; L173-L179 HydrophobicContact CG-CD1 4.02Å; C176-L179 HydrophobicContact CB-CD1 3.48Å; C176-L179 VanDerWaalsContact CB-CD1 3.48Å; C176-L179 HydrophobicContact CB-CG 3.99Å; C176-L179 WeakPolarHBondContact O-CB 3.26Å; C176-L179 PolarHBondContact O-N 3.16Å; C176-L179 VanDerWaalsContact O-N 3.12Å; R177-L179 VanDerWaalsContact C-N 3.35Å; L179-A183 HydrophobicContact CD2-CB 4.5Å; L179-I184 HydrophobicContact CD1-CD1 4.4Å; L179-N205 WeakPolarHBondContact O-CB 3.47Å; L179-V206 HydrophobicContact CB-CG2 4.28Å
180K86Confident88.8Confident137 Ų13759.5 Ų59.560%0.59628%0.283SS*.  trans-127.9155.3177.4-61.4-177179.1-176.40109.8E182 A183K180-E182 PolarHBondContact O-N 3.11Å; K180-E182 VanDerWaalsContact O-N 3.16Å; K180-A183 WeakPolarHBondContact O-CB 3.47Å; K180-A183 PolarHBondContact O-N 3.36Å
181D86.4Confident88.3Confident74 Ų7457 Ų5740%0.39627%0.271SS..Hα-helixtrans-48.5-43.7178.1-66.1-30.1000113.5A183 I184 V185 V206 G207D181-A183 PolarHBondContact O-N 3.2Å; D181-A183 VanDerWaalsContact O-N 3.11Å; D181-I184 PolarHBondContact O-N 2.7Å; D181-V185 WeakPolarHBondContact O-CG2 3.41Å; D181-V185 PolarHBondContact O-N 2.95Å; D181-V206 WeakPolarHBondContact OD1-CA 2.9Å; D181-V206 WeakPolarHBondContact OD1-CG1 2.97Å; D181-G207 PolarHBondContact OD1-N 3.29Å; D181-G207 PolarHBondContact OD2-N 3.16Å
182E87.9Confident87.4Confident134 Ų13459.3 Ų59.363%0.62629%0.294SS*.Hα-helixtrans-55.7-33.8-179.6-63.8176.9-164.200113.6K180 Y186K180-E182 PolarHBondContact O-N 3.11Å; K180-E182 VanDerWaalsContact O-N 3.16Å; E182-Y186 WeakPolarHBondContact O-CB 3.39Å; E182-Y186 PolarHBondContact O-N 3.16Å; E182-Y186 VanDerWaalsContact O-N 3.15Å
183A87.6Confident86.6Confident4 Ų462.7 Ų62.73%0.03333%0.329CS..Hα-helixtrans-75.2-38.3178.900000111.3G155 L158 L179 K180 D181 Y186 L187G155-A183 VanDerWaalsContact CA-CB 3.5Å; L158-A183 HydrophobicContact CD2-CB 4.06Å; L179-A183 HydrophobicContact CD2-CB 4.5Å; K180-A183 WeakPolarHBondContact O-CB 3.47Å; K180-A183 PolarHBondContact O-N 3.36Å; D181-A183 PolarHBondContact O-N 3.2Å; D181-A183 VanDerWaalsContact O-N 3.11Å; A183-Y186 PolarHBondContact O-N 3.14Å; A183-L187 WeakPolarHBondContact O-CB 3.47Å; A183-L187 PolarHBondContact O-N 2.9Å
184I88.1Confident86.2Confident19 Ų1964.2 Ų64.210%0.09734%0.344CS..Hα-helixtrans-68.5-44.3177.2-55.5-49.3000110.5L158 L173 L179 D181 Y186 L187 A188 L198 L200 V206L158-I184 HydrophobicContact CD2-CD1 4.07Å; L173-I184 HydrophobicContact CD1-CD1 3.94Å; L179-I184 HydrophobicContact CD1-CD1 4.4Å; D181-I184 PolarHBondContact O-N 2.7Å; I184-Y186 VanDerWaalsContact C-N 3.33Å; I184-Y186 PolarHBondContact O-N 3.44Å; I184-L187 PolarHBondContact O-N 2.84Å; I184-A188 WeakPolarHBondContact O-CB 3.28Å; I184-A188 PolarHBondContact O-N 3Å; I184-L198 HydrophobicContact CG2-CD2 4.22Å; I184-L200 HydrophobicContact CD1-CD2 3.63Å; I184-L200 HydrophobicContact CG1-CD1 4.46Å; I184-L200 HydrophobicContact CG1-CD2 4.16Å; I184-L200 HydrophobicContact CG2-CD1 3.74Å; I184-V206 HydrophobicContact CG1-CG1 4.35Å; I184-V206 HydrophobicContact CG1-CG2 4.19Å
185V89.3Confident86Confident76 Ų7664.5 Ų64.546%0.46134%0.344SS..Hα-helixtrans-58.9-45.2175172.70000110.7D181 L187 A188 Q189D181-V185 WeakPolarHBondContact O-CG2 3.41Å; D181-V185 PolarHBondContact O-N 2.95Å; V185-L187 PolarHBondContact O-N 2.99Å; V185-A188 PolarHBondContact O-N 2.86Å; V185-Q189 HydrophobicContact CG1-CG 4.44Å; V185-Q189 WeakPolarHBondContact O-CB 3.48Å; V185-Q189 VanDerWaalsContact O-CG 3.3Å; V185-Q189 WeakPolarHBondContact O-CG 3.38Å; V185-Q189 PolarHBondContact O-N 2.9Å
186Y90.9Very high86.2Confident47 Ų4773.5 Ų73.518%0.18438%0.377CS..Hα-helixtrans-61.3-44.2176.3-174-85.8000111.9R159 A162 D163 E182 A183 I184 Q189 R190R159-Y186 HydrophobicContact CB-CD1 3.93Å; R159-Y186 HydrophobicContact CB-CE1 3.73Å; R159-Y186 HydrophobicContact CG-CD1 3.47Å; R159-Y186 VanDerWaalsContact CG-CD1 3.47Å; R159-Y186 HydrophobicContact CG-CD2 4.36Å; R159-Y186 HydrophobicContact CG-CE1 3.76Å; R159-Y186 HydrophobicContact CG-CG 3.78Å; A162-Y186 HydrophobicContact CB-CD1 4.28Å; A162-Y186 HydrophobicContact CB-CE1 4.31Å; D163-Y186 VanDerWaalsContact CG-OH 3.29Å; D163-Y186 PolarHBondContact OD1-OH 2.67Å; D163-Y186 PolarHBondContact OD2-OH 3.27Å; E182-Y186 WeakPolarHBondContact O-CB 3.39Å; E182-Y186 PolarHBondContact O-N 3.16Å; E182-Y186 VanDerWaalsContact O-N 3.15Å; A183-Y186 PolarHBondContact O-N 3.14Å; I184-Y186 VanDerWaalsContact C-N 3.33Å; I184-Y186 PolarHBondContact O-N 3.44Å; Y186-Q189 PolarHBondContact O-N 3.23Å; Y186-R190 HydrophobicContact CD1-CG 3.93Å; Y186-R190 HydrophobicContact CE1-CB 4.5Å; Y186-R190 HydrophobicContact CE1-CG 3.51Å; Y186-R190 HydrophobicContact CE2-CG 4.43Å; Y186-R190 WeakPolarHBondContact O-CB 3.43Å; Y186-R190 PolarHBondContact O-N 2.84Å; Y186-R190 PolarHBondContact OH-NE 3.28Å; Y186-R190 VanDerWaalsContact OH-NE 3.1Å; Y186-R190 PolarHBondContact OH-NH2 3.44Å
187L89.4Confident86.4Confident1 Ų176.5 Ų76.51%0.00540%0.398CS..Hα-helixtrans-60.9-45.6177.4-177130.3000111.3L158 A162 L171 A183 I184 V185 Q189 R190 R191 L195 L198L158-L187 HydrophobicContact CD1-CD1 3.77Å; L158-L187 HydrophobicContact CD2-CB 4.49Å; L158-L187 HydrophobicContact CD2-CD1 4.07Å; L158-L187 HydrophobicContact CG-CD1 3.79Å; A162-L187 HydrophobicContact CB-CB 4.42Å; A162-L187 HydrophobicContact CB-CD1 4.22Å; A162-L187 HydrophobicContact CB-CG 4.36Å; L171-L187 HydrophobicContact CD2-CD1 3.42Å; L171-L187 VanDerWaalsContact CD2-CD1 3.42Å; L171-L187 HydrophobicContact CD2-CD2 4.13Å; L171-L187 HydrophobicContact CD2-CG 4.44Å; A183-L187 WeakPolarHBondContact O-CB 3.47Å; A183-L187 PolarHBondContact O-N 2.9Å; I184-L187 PolarHBondContact O-N 2.84Å; V185-L187 PolarHBondContact O-N 2.99Å; L187-Q189 PolarHBondContact O-N 3.36Å; L187-R190 PolarHBondContact O-N 3.38Å; L187-R191 WeakPolarHBondContact O-CB 3.17Å; L187-R191 PolarHBondContact O-N 2.8Å; L187-L195 HydrophobicContact CD2-CD2 3.64Å; L187-L198 HydrophobicContact CD2-CD1 4.37Å; L187-L198 HydrophobicContact CD2-CD2 4.26Å
188A87.4Confident86.7Confident48 Ų4872.7 Ų72.740%0.39739%0.388SS..Hα-helixtrans-62.5-39.9176.100000112.4I184 V185 G192I184-A188 WeakPolarHBondContact O-CB 3.28Å; I184-A188 PolarHBondContact O-N 3Å; V185-A188 PolarHBondContact O-N 2.86Å; A188-G192 WeakPolarHBondContact O-CA 3.14Å; A188-G192 PolarHBondContact O-N 2.82Å
189Q88.6Confident87.1Confident151 Ų15168.8 Ų68.871%0.70637%0.374SS*.Hα-helixtrans-67-40.1176.7-73.6174.5-1.300112.6V185 Y186 L187V185-Q189 HydrophobicContact CG1-CG 4.44Å; V185-Q189 WeakPolarHBondContact O-CB 3.48Å; V185-Q189 VanDerWaalsContact O-CG 3.3Å; V185-Q189 WeakPolarHBondContact O-CG 3.38Å; V185-Q189 PolarHBondContact O-N 2.9Å; Y186-Q189 PolarHBondContact O-N 3.23Å; L187-Q189 PolarHBondContact O-N 3.36Å
190R89.7Confident87.1Confident138 Ų13871.1 Ų71.152%0.52139%0.386SS..Hα-helixtrans-81.4-27.8-178.4-76.2-64.8-158.3-175.40.7114.3A162 D163 Y186 L187A162-R190 HydrophobicContact CB-CB 4.3Å; D163-R190 IonicContact OD1-CZ 3.18Å; D163-R190 IonicContact OD1-NE 3.91Å; D163-R190 PolarHBondContact OD1-NE 3.42Å; D163-R190 IonicContact OD1-NH2 2.84Å; Y186-R190 HydrophobicContact CD1-CG 3.93Å; Y186-R190 HydrophobicContact CE1-CB 4.5Å; Y186-R190 HydrophobicContact CE1-CG 3.51Å; Y186-R190 HydrophobicContact CE2-CG 4.43Å; Y186-R190 WeakPolarHBondContact O-CB 3.43Å; Y186-R190 PolarHBondContact O-N 2.84Å; Y186-R190 PolarHBondContact OH-NE 3.28Å; Y186-R190 VanDerWaalsContact OH-NE 3.1Å; Y186-R190 PolarHBondContact OH-NH2 3.44Å; L187-R190 PolarHBondContact O-N 3.38Å
191R84.6Confident87.2Confident30 Ų3067 Ų6711%0.11338%0.377CS..Hα-helixtrans-127.94.8-171.4-65.2-65-177.5-93.91.1114.5A162 D163 C165 L187 A193 G194 L195A162-R191 VanDerWaalsContact C-CZ 3.5Å; A162-R191 VanDerWaalsContact C-NH2 3.33Å; A162-R191 HydrophobicContact CB-CG 4.43Å; A162-R191 PolarHBondContact O-NE 3.24Å; A162-R191 PolarHBondContact O-NH1 3.43Å; A162-R191 PolarHBondContact O-NH2 3.03Å; D163-R191 PolarHBondContact O-NH2 2.62Å; C165-R191 VanDerWaalsContact C-NH2 3.28Å; C165-R191 PolarHBondContact O-NE 3.47Å; C165-R191 PolarHBondContact O-NH2 3.37Å; L187-R191 WeakPolarHBondContact O-CB 3.17Å; L187-R191 PolarHBondContact O-N 2.8Å; R191-A193 PolarHBondContact O-N 3.16Å; R191-G194 PolarHBondContact O-N 3.11Å; R191-L195 WeakPolarHBondContact O-CB 3.49Å; R191-L195 PolarHBondContact O-N 3.28Å
192G74.6Confident87.1Confident50 Ų5068.9 Ų68.952%0.51539%0.392SS..THydrogen-bonded Turntrans-58.2-24.3-173.800000115.6A188A188-G192 WeakPolarHBondContact O-CA 3.14Å; A188-G192 PolarHBondContact O-N 2.82Å
193A77.1Confident86.8Confident115 Ų11563.4 Ų63.495%0.9537%0.367SS*.THydrogen-bonded Turntrans-84.9-20.3174.500000114.1R191R191-A193 PolarHBondContact O-N 3.16Å
194G82.4Confident86.3Confident31 Ų3167.1 Ų67.132%0.3240%0.397SS..THydrogen-bonded Turntrans-102-29.1-177.900000113.7L168 R191 R196L168-G194 CarbonylContact O-C 3.59Å; R191-G194 PolarHBondContact O-N 3.11Å; G194-R196 PolarHBondContact O-N 2.98Å
195L87.4Confident85.8Confident34 Ų3470.5 Ų70.518%0.17842%0.415CS..  trans-76.5120.8-176.9-158.773.9000110.8L168 E169 L171 L187 R191 L198L168-L195 HydrophobicContact CD2-CD1 4.2Å; L168-L195 HydrophobicContact CG-CD1 4.21Å; E169-L195 CarbonylContact O-C 3.52Å; L171-L195 HydrophobicContact CB-CD1 4.13Å; L187-L195 HydrophobicContact CD2-CD2 3.64Å; R191-L195 WeakPolarHBondContact O-CB 3.49Å; R191-L195 PolarHBondContact O-N 3.28Å; L195-L198 HydrophobicContact CD2-CB 3.79Å; L195-L198 HydrophobicContact CD2-CD1 4.32Å; L195-L198 HydrophobicContact CD2-CD2 4.09Å; L195-L198 HydrophobicContact CD2-CG 4.27Å
196R91.1Very high85Confident194 Ų19468.1 Ų68.173%0.73240%0.401SS*.  trans-98.2-32.9178.8-65.1178.9170.7172.6-8.2112.6E169 G194E169-R196 HydrophobicContact CB-CG 4.39Å; E169-R196 WeakPolarHBondContact O-CA 3.09Å; E169-R196 PolarHBondContact O-N 3.5Å; E169-R196 IonicContact OE2-CZ 3.35Å; E169-R196 IonicContact OE2-NE 2.78Å; E169-R196 IonicContact OE2-NH1 2.74Å; E169-R196 PolarHBondContact OE2-NH1 2.76Å; G194-R196 PolarHBondContact O-N 2.98Å
197S91.9Very high83.8Confident63 Ų6368 Ų6844%0.44141%0.414SS..EExtended strand (participates in β ladder)trans-139.1130-177.9-1740000110.7E169 E170 L171E169-S197 PolarHBondContact O-N 3.4Å; E170-S197 WeakPolarHBondContact CA-O 3.46Å; L171-S197 PolarHBondContact N-O 3.12Å
198L90.9Very high82.2Confident59 Ų5979.7 Ų79.731%0.30948%0.477SS..EExtended strand (participates in β ladder)trans-135.2114.5174.3-179.258.6000109L171 L173 I184 L187 L195 L200L171-L198 HydrophobicContact CB-CD1 4.06Å; L171-L198 HydrophobicContact CD2-CD1 4.1Å; L171-L198 HydrophobicContact CG-CD1 4.15Å; L171-L198 VanDerWaalsContact O-CA 3.31Å; L171-L198 WeakPolarHBondContact O-CA 3.32Å; L173-L198 HydrophobicContact CD1-CD1 4.3Å; I184-L198 HydrophobicContact CG2-CD2 4.22Å; L187-L198 HydrophobicContact CD2-CD1 4.37Å; L187-L198 HydrophobicContact CD2-CD2 4.26Å; L195-L198 HydrophobicContact CD2-CB 3.79Å; L195-L198 HydrophobicContact CD2-CD1 4.32Å; L195-L198 HydrophobicContact CD2-CD2 4.09Å; L195-L198 HydrophobicContact CD2-CG 4.27Å; L198-L200 HydrophobicContact CD1-CD2 4.14Å; L198-L200 HydrophobicContact CD1-CG 4.41Å; L198-L200 HydrophobicContact CD2-CD1 3.98Å; L198-L200 HydrophobicContact CD2-CD2 4.49Å; L198-L200 HydrophobicContact CD2-CG 4.28Å; L198-L200 HydrophobicContact CG-CD1 4.21Å; L198-L200 HydrophobicContact CG-CD2 4.24Å; L198-L200 HydrophobicContact CG-CG 3.98Å
199S90.9Very high81.9Confident38 Ų3881.3 Ų81.327%0.26648%0.481SS..EExtended strand (participates in β ladder)trans-98.3123172.5-173.60000110.5L171 L173 T174L171-S199 PolarHBondContact O-N 3.15Å; L173-S199 CarbonylContact C-O 3.27Å; L173-S199 WeakPolarHBondContact CA-O 3.27Å; L173-S199 PolarHBondContact N-O 2.53Å; T174-S199 PolarHBondContact OG1-OG 3.48Å
200L87.8Confident81.6Confident51 Ų5177.6 Ų77.627%0.26747%0.469SS..  trans-121.418.8176.5-60.3170.5000111.9L173 I184 L198 N203 V206L173-L200 HydrophobicContact CB-CD2 4.18Å; L173-L200 HydrophobicContact CD1-CD2 4.13Å; I184-L200 HydrophobicContact CD1-CD2 3.63Å; I184-L200 HydrophobicContact CG1-CD1 4.46Å; I184-L200 HydrophobicContact CG1-CD2 4.16Å; I184-L200 HydrophobicContact CG2-CD1 3.74Å; L198-L200 HydrophobicContact CD1-CD2 4.14Å; L198-L200 HydrophobicContact CD1-CG 4.41Å; L198-L200 HydrophobicContact CD2-CD1 3.98Å; L198-L200 HydrophobicContact CD2-CD2 4.49Å; L198-L200 HydrophobicContact CD2-CG 4.28Å; L198-L200 HydrophobicContact CG-CD1 4.21Å; L198-L200 HydrophobicContact CG-CD2 4.24Å; L198-L200 HydrophobicContact CG-CG 3.98Å; L200-N203 VanDerWaalsContact CA-ND2 3.31Å; L200-N203 WeakPolarHBondContact CA-ND2 3.39Å; L200-N203 PolarHBondContact O-ND2 2.81Å; L200-V206 HydrophobicContact CD1-CG1 4.22Å
201A86.8Confident81.1Confident49 Ų4974.3 Ų74.341%0.40547%0.466SS..THydrogen-bonded Turntrans-58.9143.3-176.100000112T174 A175 N203T174-A201 CarbonylContact C-O 3.58Å; T174-A201 WeakPolarHBondContact CA-O 3.42Å; T174-A201 HydrophobicContact CG2-CB 4.04Å; A175-A201 PolarHBondContact N-O 3.12Å; A201-N203 PolarHBondContact O-N 3.35Å
202V84.5Confident80.9Confident115 Ų11576.9 Ų76.970%0.69749%0.487SS*.THydrogen-bonded Turntrans60.828.5173.7-158.10000113.3A175A175-V202 HydrophobicContact CB-CB 4.22Å; A175-V202 HydrophobicContact CB-CG1 4.47Å
203N82.2Confident81.3Confident19 Ų1978.6 Ų78.610%0.10249%0.485CS..  trans-90.4118.6170.7-74.4-53.4000110.2L173 C176 L200 A201 N205 V206L173-N203 PolarHBondContact O-ND2 3.42Å; L173-N203 PolarHBondContact O-OD1 3.5Å; C176-N203 VanDerWaalsContact C-OD1 3.23Å; C176-N203 WeakPolarHBondContact CA-OD1 3.42Å; C176-N203 PolarHBondContact N-OD1 3.47Å; C176-N203 PolarHBondContact O-OD1 2.76Å; L200-N203 VanDerWaalsContact CA-ND2 3.31Å; L200-N203 WeakPolarHBondContact CA-ND2 3.39Å; L200-N203 PolarHBondContact O-ND2 2.81Å; A201-N203 PolarHBondContact O-N 3.35Å; N203-N205 VanDerWaalsContact C-N 3.3Å; N203-N205 PolarHBondContact O-N 3.07Å; N203-V206 HydrophobicContact CB-CB 3.88Å; N203-V206 HydrophobicContact CB-CG2 3.81Å
204A77Confident81.6Confident82 Ų8276.1 Ų76.168%0.67845%0.454SS*.THydrogen-bonded Turntrans-76.1-19.1-176.700000113.8
205N77.6Confident81.5Confident89 Ų8979.4 Ų79.448%0.47646%0.463SS..THydrogen-bonded Turntrans-117.611.7-171.8-70.6-34.4000112.5R177 L179 N203R177-N205 PolarHBondContact O-ND2 2.93Å; L179-N205 WeakPolarHBondContact O-CB 3.47Å; N203-N205 VanDerWaalsContact C-N 3.3Å; N203-N205 PolarHBondContact O-N 3.07Å
206V73Confident81.1Confident26 Ų2682.8 Ų82.816%0.15849%0.485CS..SBendtrans-111.4116.4172.4179.10000106.9L179 D181 I184 L200 N203L179-V206 HydrophobicContact CB-CG2 4.28Å; D181-V206 WeakPolarHBondContact OD1-CA 2.9Å; D181-V206 WeakPolarHBondContact OD1-CG1 2.97Å; I184-V206 HydrophobicContact CG1-CG1 4.35Å; I184-V206 HydrophobicContact CG1-CG2 4.19Å; L200-V206 HydrophobicContact CD1-CG1 4.22Å; N203-V206 HydrophobicContact CB-CB 3.88Å; N203-V206 HydrophobicContact CB-CG2 3.81Å
207G65.5Low80.2Confident44 Ų4473.6 Ų73.645%0.45447%0.465SS..  trans-72.7162.1178.800000112.7D181D181-G207 PolarHBondContact OD1-N 3.29Å; D181-G207 PolarHBondContact OD2-N 3.16Å
208D54.9Low79.2Confident248 Ų24874.5 Ų74.5100%1.32647%0.467SS*.  trans-67.40172.2-75.9-26.3000112.6

Retrieved 208 of 208 residues in 153.1 ms (Link to these results)

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