G4VRX2_SCHMA Loading...

BAH domain-containing protein

AlphaFold DB , UniProt , Accession G4VRX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.2Very low60.2Low240 Ų240134.3 Ų134.3100%1.18275%0.749SS**  098.90-63-85.7-145.900107.2V3M1-V3 PolarHBondContact O-N 2.71Å
2S53.2Low60.9Low122 Ų122139.9 Ų139.985%0.85375%0.75SS**  trans-77.8111177.4-172.30000107.9Q4S2-Q4 PolarHBondContact O-N 2.79Å; S2-Q4 VanDerWaalsContact O-N 3.07Å
3V64.6Low61Low127 Ų127141.6 Ų141.677%0.7775%0.754SS**  trans-68.4103.4178.8-110.20000107.9M1 T5M1-V3 PolarHBondContact O-N 2.71Å; V3-T5 VanDerWaalsContact C-N 3.26Å; V3-T5 PolarHBondContact O-N 2.86Å
4Q61Low61.1Low193 Ų193139 Ų13990%0.90275%0.751SS**  trans-68.191.2163.8-77178.16.800107.3S2 N6S2-Q4 PolarHBondContact O-N 2.79Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-N6 PolarHBondContact O-N 2.74Å
5T64.5Low61.4Low104 Ų104139.7 Ų139.764%0.63875%0.747SS**  trans-69.7129.1170.250.10000108.6V3 L7V3-T5 VanDerWaalsContact C-N 3.26Å; V3-T5 PolarHBondContact O-N 2.86Å; T5-L7 PolarHBondContact O-N 2.73Å
6N63.8Low61.8Low93 Ų93139.2 Ų139.250%0.49775%0.75SS.*  trans-61.7125.2177.2-164.7-59000108.9Q4 K8 D9Q4-N6 PolarHBondContact O-N 2.74Å; N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 WeakPolarHBondContact OD1-CB 3.42Å; N6-K8 PolarHBondContact OD1-N 2.86Å; N6-D9 PolarHBondContact O-N 2.62Å
7L59.3Low61.9Low155 Ų155139.4 Ų139.481%0.81275%0.749SS**THydrogen-bonded Turntrans-58.9-20.6-175-167.464.9000112.9T5T5-L7 PolarHBondContact O-N 2.73Å
8K64.2Low62.2Low187 Ų187137.3 Ų137.381%0.81374%0.744SS**THydrogen-bonded Turntrans-75.1-23.2176.5-61.2-178-179.4-176.50113.7N6 V10N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 WeakPolarHBondContact OD1-CB 3.42Å; N6-K8 PolarHBondContact OD1-N 2.86Å; K8-V10 VanDerWaalsContact C-N 3.33Å
9D66.4Low62.3Low134 Ų134138.6 Ų138.672%0.71775%0.75SS**THydrogen-bonded Turntrans-84.4-13-178.6-65.4-27.3000112.4N6 G11N6-D9 PolarHBondContact O-N 2.62Å; D9-G11 PolarHBondContact O-N 3Å; D9-G11 VanDerWaalsContact O-N 3.15Å
10V62.8Low62.4Low48 Ų48140.5 Ų140.529%0.29175%0.75SS.*  trans-84.889.3174.9-170.40000107.7K8 W12K8-V10 VanDerWaalsContact C-N 3.33Å; V10-W12 HydrophobicContact CG1-CD2 4.05Å; V10-W12 HydrophobicContact CG1-CE3 3.35Å; V10-W12 HydrophobicContact CG1-CH2 4.26Å; V10-W12 HydrophobicContact CG1-CZ3 3.48Å; V10-W12 VanDerWaalsContact CG1-CZ3 3.48Å; V10-W12 WeakPolarHBondContact CG1-O 3.48Å; V10-W12 PolarHBondContact O-N 3.27Å
11G62.3Low62.5Low74 Ų74143.2 Ų143.276%0.76376%0.756SS**SBendtrans-60.66.7-178.700000116D9D9-G11 PolarHBondContact O-N 3Å; D9-G11 VanDerWaalsContact O-N 3.15Å
12W68.7Low63.5Low202 Ų202138.8 Ų138.877%0.76574%0.737SS**SBendtrans-134.2103.7175.15.1-84.1000107.8V10 C14V10-W12 HydrophobicContact CG1-CD2 4.05Å; V10-W12 HydrophobicContact CG1-CE3 3.35Å; V10-W12 HydrophobicContact CG1-CH2 4.26Å; V10-W12 HydrophobicContact CG1-CZ3 3.48Å; V10-W12 VanDerWaalsContact CG1-CZ3 3.48Å; V10-W12 WeakPolarHBondContact CG1-O 3.48Å; V10-W12 PolarHBondContact O-N 3.27Å; W12-C14 PolarHBondContact O-N 2.89Å
13M61.7Low64Low162 Ų162141.5 Ų141.580%0.79873%0.733SS**  trans-6895.5172.1-177.1164.558.700108.3H15M13-H15 PolarHBondContact O-N 3.03Å
14C63.4Low64.1Low105 Ų105140.7 Ų140.771%0.70973%0.728SS**  trans-61.2112165.6-176.30000106.8W12 V16W12-C14 PolarHBondContact O-N 2.89Å; C14-V16 PolarHBondContact O-N 3.29Å
15H65.5Low64.4Low149 Ų149139.9 Ų139.969%0.6973%0.725SS**  trans-57.5109.2165-82-49.2000106.5M13 I17M13-H15 PolarHBondContact O-N 3.03Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.48Å
16V66.7Low64.6Low132 Ų132143.9 Ų143.980%0.874%0.736SS**  trans-59.197.7172.91780000106.2C14 P18C14-V16 PolarHBondContact O-N 3.29Å; V16-P18 VanDerWaalsContact O-CD 3.27Å; V16-P18 WeakPolarHBondContact O-CD 3.28Å; V16-P18 VanDerWaalsContact O-N 3.15Å
17I64.1Low65.1Low142 Ų142147.4 Ų147.473%0.72875%0.754SS**  trans-63.7118.3175.5-58173.1000104.6H15 L19H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.48Å; I17-L19 PolarHBondContact O-N 3.34Å
18P67Low65.9Low102 Ų102144.2 Ų144.266%0.66275%0.75SS**  trans-55.7120.3176.9-17.427.1000107.5V16 K20V16-P18 VanDerWaalsContact O-CD 3.27Å; V16-P18 WeakPolarHBondContact O-CD 3.28Å; V16-P18 VanDerWaalsContact O-N 3.15Å; P18-K20 PolarHBondContact O-N 3.06Å
19L63.9Low66.5Low163 Ų163140.7 Ų140.785%0.85375%0.746SS**  trans-52.1107.6166.7-79.2140.4000105.9I17 K21I17-L19 PolarHBondContact O-N 3.34Å; L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 WeakPolarHBondContact O-CG 3.15Å; L19-K21 PolarHBondContact O-N 3.42Å
20K64.3Low67Low176 Ų176140.2 Ų140.277%0.76575%0.75SS**  trans-60.598.1-176.4-67.9-174.5178.8-1760107.8P18 N22P18-K20 PolarHBondContact O-N 3.06Å; K20-N22 PolarHBondContact O-N 3.25Å
21K64.9Low67.7Low198 Ų198144 Ų14486%0.86177%0.768SS**SBendtrans-68.3122.9172.5-54.3-177.8-174.5179.40105.8L19L19-K21 VanDerWaalsContact C-N 3.33Å; L19-K21 WeakPolarHBondContact O-CG 3.15Å; L19-K21 PolarHBondContact O-N 3.42Å
22N62Low68.5Low147 Ų147142.5 Ų142.579%0.78675%0.746SS**  trans65.485.5179.5-103.2-40.3000115.4K20 V24K20-N22 PolarHBondContact O-N 3.25Å; N22-V24 HydrophobicContact CB-CG2 4.48Å; N22-V24 PolarHBondContact O-N 2.79Å
23K62.1Low69.1Low179 Ų179142.2 Ų142.278%0.77875%0.753SS**  trans-73.180.5148.7-73.5-175.2-178.2-177.60107.3Q25K23-Q25 PolarHBondContact O-N 3.35Å; K23-Q25 VanDerWaalsContact O-N 3.12Å
24V68Low69.9Low109 Ų109139.3 Ų139.366%0.66174%0.739SS**  trans-58.1120.1153.7-176.20000104N22 Q26N22-V24 HydrophobicContact CB-CG2 4.48Å; N22-V24 PolarHBondContact O-N 2.79Å; V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.68Å
25Q66.3Low70.4Confident177 Ų177139.5 Ų139.583%0.82774%0.739SS**  trans-55.3102.4174.5-73.6176.5-3.500106.1K23 L27K23-Q25 PolarHBondContact O-N 3.35Å; K23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-L27 PolarHBondContact O-N 3.31Å
26Q68.4Low70.5Confident188 Ų188140.2 Ų140.288%0.87975%0.748SS**PPolyproline II helixtrans-62.5117.4173.5-77.5-178.6-48.900105.1V24 A28V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.68Å; Q26-A28 PolarHBondContact O-N 3.06Å
27L75.1Confident70.7Confident166 Ų166138.5 Ų138.587%0.86973%0.733SS**PPolyproline II helixtrans-52132.8171.5-67.5168.6000107.2Q25Q25-L27 PolarHBondContact O-N 3.31Å
28A75.3Confident70.8Confident89 Ų89133.9 Ų133.974%0.73672%0.721SS**PPolyproline II helixtrans-52.9138.3177.500000108.9Q26Q26-A28 PolarHBondContact O-N 3.06Å
29P77.9Confident70.7Confident113 Ų113137.4 Ų137.473%0.73473%0.727SS**PPolyproline II helixtrans-57.6148.9175.525.4-33.2000109.5
30P77.5Confident70.7Confident123 Ų123137.1 Ų137.180%0.79972%0.723SS**PPolyproline II helixtrans-55.4146.2174.624.7-33.4000110.1S32P30-S32 PolarHBondContact O-N 3.08Å
31I76.8Confident70.6Confident128 Ų128133.9 Ų133.966%0.65672%0.719SS**PPolyproline II helixtrans-58.9140.5176.5-143.7165.8000109
32S78.8Confident70.6Confident43 Ų43133.3 Ų133.330%0.30172%0.72SS.*PPolyproline II helixtrans-65.9137.3178.6147.20000110.3P30 I34 I37P30-S32 PolarHBondContact O-N 3.08Å; S32-I34 VanDerWaalsContact C-N 3.29Å; S32-I34 WeakPolarHBondContact OG-CB 3.41Å; S32-I34 PolarHBondContact OG-N 3.2Å; S32-I37 WeakPolarHBondContact CB-O 3.17Å; S32-I37 WeakPolarHBondContact OG-CG2 3.37Å; S32-I37 PolarHBondContact OG-O 2.81Å
33Q82Confident70.6Confident195 Ų195134.4 Ų134.491%0.91172%0.72SS**  trans-83-5.7172.9-69.8-178.8-50.200113P35Q33-P35 WeakPolarHBondContact O-CD 3.38Å
34I77.6Confident70.4Confident102 Ų102129.8 Ų129.852%0.52371%0.711SS.*SBendtrans-72.5123177.9-55.5165.6000107.4S32 N36 I37S32-I34 VanDerWaalsContact C-N 3.29Å; S32-I34 WeakPolarHBondContact OG-CB 3.41Å; S32-I34 PolarHBondContact OG-N 3.2Å; I34-N36 PolarHBondContact O-N 2.83Å; I34-I37 HydrophobicContact CB-CB 4.03Å; I34-I37 HydrophobicContact CB-CD1 3.99Å; I34-I37 HydrophobicContact CB-CG1 4.29Å; I34-I37 HydrophobicContact CD1-CD1 3.91Å; I34-I37 HydrophobicContact CG2-CB 4.33Å; I34-I37 HydrophobicContact CG2-CD1 3.63Å; I34-I37 HydrophobicContact CG2-CG1 4.04Å; I34-I37 PolarHBondContact O-N 2.68Å
35P74.1Confident70Confident109 Ų109129.5 Ų129.571%0.70871%0.713SS**THydrogen-bonded Turntrans-51.7135.3174.9-23.532.6000110.3Q33 I37Q33-P35 WeakPolarHBondContact O-CD 3.38Å; P35-I37 PolarHBondContact O-N 3.29Å
36N68.2Low69.5Low163 Ų163128.1 Ų128.187%0.87271%0.706SS**THydrogen-bonded Turntrans68.45.5-177.5-52.9-13.4000116.6I34I34-N36 PolarHBondContact O-N 2.83Å
37I70.3Confident69.1Low96 Ų96126.3 Ų126.349%0.49270%0.698SS.*SBendtrans-115.5113.3170.4-62.4178.3000108S32 I34 P35S32-I37 WeakPolarHBondContact CB-O 3.17Å; S32-I37 WeakPolarHBondContact OG-CG2 3.37Å; S32-I37 PolarHBondContact OG-O 2.81Å; I34-I37 HydrophobicContact CB-CB 4.03Å; I34-I37 HydrophobicContact CB-CD1 3.99Å; I34-I37 HydrophobicContact CB-CG1 4.29Å; I34-I37 HydrophobicContact CD1-CD1 3.91Å; I34-I37 HydrophobicContact CG2-CB 4.33Å; I34-I37 HydrophobicContact CG2-CD1 3.63Å; I34-I37 HydrophobicContact CG2-CG1 4.04Å; I34-I37 PolarHBondContact O-N 2.68Å; P35-I37 PolarHBondContact O-N 3.29Å
38G65.3Low68.3Low46 Ų46126.2 Ų126.247%0.47469%0.691SS.*SBendtrans107.6-18.317800000114.5M40G38-M40 PolarHBondContact O-N 3.1Å
39F66.2Low67.7Low176 Ų176130.1 Ų130.177%0.77269%0.691SS**SBendtrans-73.7111157.8-105.8-95.1000107.1P41F39-P41 VanDerWaalsContact O-CD 3.28Å; F39-P41 WeakPolarHBondContact O-CD 3.49Å
40M63.1Low67.1Low157 Ų157131.5 Ų131.577%0.77369%0.688SS**  trans-55.9114.5163.2-148.9163.889.300104.5G38 E42G38-M40 PolarHBondContact O-N 3.1Å; M40-E42 PolarHBondContact O-N 3.43Å
41P63.1Low66.7Low107 Ų107130.3 Ų130.370%0.69568%0.678SS**  trans-53.2123.8176.622.4-30.9000105.2F39 E43F39-P41 VanDerWaalsContact O-CD 3.28Å; F39-P41 WeakPolarHBondContact O-CD 3.49Å; P41-E43 PolarHBondContact O-N 3.12Å
42E65.2Low66.6Low186 Ų186128 Ų12887%0.86967%0.665SS**  trans-49.3113.6171.6-172.6149.5-153.300104.6M40 S44M40-E42 PolarHBondContact O-N 3.43Å; E42-S44 WeakPolarHBondContact O-CA 3.43Å; E42-S44 PolarHBondContact O-N 2.77Å
43E60.6Low66.9Low171 Ų171134.6 Ų134.680%0.79969%0.685SS**  trans-51.499-170.8-97.3169.6178.500105.4P41 S45P41-E43 PolarHBondContact O-N 3.12Å; E43-S45 PolarHBondContact O-N 3.12Å
44S58.6Low67.3Low82 Ų82130.1 Ų130.157%0.57366%0.663SS**  trans-68.6101.2-177.458.80000101.3E42 H46E42-S44 WeakPolarHBondContact O-CA 3.43Å; E42-S44 PolarHBondContact O-N 2.77Å; S44-H46 PolarHBondContact O-N 2.97Å
45S58.8Low68Low103 Ų103132 Ų13272%0.7267%0.667SS**  trans-66.837.9176.9540000110.2E43 E47E43-S45 PolarHBondContact O-N 3.12Å; S45-E47 PolarHBondContact O-N 3.03Å
46H57.1Low68.9Low147 Ų147133 Ų13368%0.68168%0.677SS**  trans-68.459.9156.3-55.8-20.8000107.5S44 K48S44-H46 PolarHBondContact O-N 2.97Å; H46-K48 PolarHBondContact O-N 3.09Å
47E60.3Low70.1Confident151 Ų151130.9 Ų130.971%0.70667%0.67SS**  trans-57.381.7144.3-65.3-177.1-168.400105.3S45 K49S45-E47 PolarHBondContact O-N 3.03Å; E47-K49 PolarHBondContact O-N 3.19Å
48K58.3Low71.2Confident163 Ų163127.1 Ų127.171%0.70965%0.651SS**  trans-6291.9160.2-71.6-179.4-177.11750103.4H46 H50H46-K48 PolarHBondContact O-N 3.09Å; K48-H50 PolarHBondContact O-CD2 3.46Å; K48-H50 PolarHBondContact O-N 3.03Å
49K61.4Low72.6Confident171 Ų171127.2 Ų127.274%0.74364%0.644SS**  trans-60.784.1167.6-70.2179.1-178.7175.90105.2E47 T51E47-K49 PolarHBondContact O-N 3.19Å; K49-T51 VanDerWaalsContact C-N 3.3Å; K49-T51 PolarHBondContact O-N 3.08Å
50H65Low73.7Confident143 Ų143123 Ų12366%0.66263%0.634SS**  trans-59.1105169.4-83.9-87.2000104.2K48 M52K48-H50 PolarHBondContact O-CD2 3.46Å; K48-H50 PolarHBondContact O-N 3.03Å; H50-M52 PolarHBondContact O-N 3.44Å
51T68.9Low75Confident98 Ų98123.7 Ų123.760%0.60163%0.629SS**  trans-61.995.9172.351.80000105.8K49 Y53K49-T51 VanDerWaalsContact C-N 3.3Å; K49-T51 PolarHBondContact O-N 3.08Å; T51-Y53 WeakPolarHBondContact O-CD2 3.48Å; T51-Y53 WeakPolarHBondContact O-CE2 3.17Å; T51-Y53 PolarHBondContact O-N 3.25Å; T51-Y53 WeakPolarHBondContact OG1-CE2 3.43Å
52M75.5Confident76.3Confident78 Ų78122 Ų12238%0.38461%0.614SS.*  trans-74.3114.6179.4-84.5165.9-171.200108.3H50 F54 K66 M67H50-M52 PolarHBondContact O-N 3.44Å; M52-F54 PolarHBondContact O-N 3.23Å; M52-K66 WeakPolarHBondContact CE-O 3.39Å; M52-M67 HydrophobicContact CB-CE 3.42Å; M52-M67 VanDerWaalsContact CB-CE 3.42Å; M52-M67 HydrophobicContact CG-CE 3.94Å; M52-M67 WeakPolarHBondContact SD-CA 3.33Å; M52-M67 HydrophobicContact SD-CE 3.17Å; M52-M67 WeakPolarHBondContact SD-CE 3.49Å; M52-M67 HydrophobicContact SD-CG 4.46Å; M52-M67 HydrophobicContact SD-SD 4.11Å
53Y85.4Confident77.6Confident182 Ų182118.8 Ų118.871%0.71459%0.594SS**  trans-83.4111176.9-68-82.9000109.6T51 K66T51-Y53 WeakPolarHBondContact O-CD2 3.48Å; T51-Y53 WeakPolarHBondContact O-CE2 3.17Å; T51-Y53 PolarHBondContact O-N 3.25Å; T51-Y53 WeakPolarHBondContact OG1-CE2 3.43Å; Y53-K66 PolarHBondContact O-NZ 3.32Å
54F89.8Confident78.9Confident101 Ų101115.4 Ų115.444%0.44358%0.581SS.*  trans-86.4133.4168.1-62.6-63000110.5M52 D58 R63 K66 M67M52-F54 PolarHBondContact O-N 3.23Å; F54-D58 WeakPolarHBondContact CA-OD2 3.38Å; F54-R63 HydrophobicContact CD1-CB 4.11Å; F54-R63 HydrophobicContact CD1-CG 3.79Å; F54-R63 HydrophobicContact CE1-CB 3.82Å; F54-R63 HydrophobicContact CE1-CG 4.04Å; F54-K66 HydrophobicContact CD1-CD 4.04Å; F54-K66 HydrophobicContact CE1-CB 4.05Å; F54-K66 HydrophobicContact CE1-CD 4.38Å; F54-M67 HydrophobicContact CE1-CE 4Å; F54-M67 HydrophobicContact CE1-CG 4.13Å; F54-M67 HydrophobicContact CE2-CE 3.45Å; F54-M67 VanDerWaalsContact CE2-CE 3.45Å; F54-M67 HydrophobicContact CE2-SD 4.37Å; F54-M67 HydrophobicContact CZ-CE 3.06Å; F54-M67 HydrophobicContact CZ-CG 3.6Å; F54-M67 HydrophobicContact CZ-SD 3.74Å
55K92.5Very high80.2Confident141 Ų141114.3 Ų114.361%0.61357%0.573SS**  trans-93151.1171.2-58.3-179.8177.1-1780108.7T57 D58K55-T57 PolarHBondContact O-N 3.4Å; K55-D58 PolarHBondContact N-OD2 3.23Å; K55-D58 WeakPolarHBondContact O-CB 3.45Å; K55-D58 PolarHBondContact O-N 2.9Å; K55-D58 VanDerWaalsContact O-N 3.08Å
56S92.7Very high81.7Confident131 Ų131112.4 Ų112.492%0.91655%0.552SS**THydrogen-bonded Turntrans-60.2-25.5174.2530000113
57T95Very high83.1Confident118 Ų118110 Ų11072%0.72454%0.542SS*.THydrogen-bonded Turntrans-87.2-2.7178.156.70000114.1K55 S59K55-T57 PolarHBondContact O-N 3.4Å; T57-S59 PolarHBondContact O-N 3.39Å
58D92Very high84.2Confident18 Ų18106 Ų10610%0.09654%0.542CS..  trans-68.7126.3-176.3-70.8-21.5000110.8F54 K55 I62 R63 K66F54-D58 WeakPolarHBondContact CA-OD2 3.38Å; K55-D58 PolarHBondContact N-OD2 3.23Å; K55-D58 WeakPolarHBondContact O-CB 3.45Å; K55-D58 PolarHBondContact O-N 2.9Å; K55-D58 VanDerWaalsContact O-N 3.08Å; D58-I62 HydrophobicContact CB-CB 4.25Å; D58-I62 HydrophobicContact CB-CG2 3.95Å; D58-R63 HydrophobicContact CB-CG 3.56Å; D58-K66 IonicContact OD1-NZ 3.29Å; D58-K66 PolarHBondContact OD1-NZ 3.2Å; D58-K66 IonicContact OD2-NZ 2.68Å; D58-K66 PolarHBondContact OD2-NZ 2.78Å
59S94.6Very high85.5Confident47 Ų4799.5 Ų99.533%0.32952%0.521SS..  trans-64.6159171.675.20000111.1T57 Y61 I62 R63T57-S59 PolarHBondContact O-N 3.39Å; S59-Y61 PolarHBondContact O-N 3.18Å; S59-I62 PolarHBondContact O-N 3.33Å; S59-I62 VanDerWaalsContact O-N 3.08Å; S59-I62 WeakPolarHBondContact OG-CG1 3.46Å; S59-I62 PolarHBondContact OG-N 2.83Å; S59-R63 WeakPolarHBondContact O-CG 3.49Å; S59-R63 PolarHBondContact O-N 3.41Å
60P90.3Very high86.5Confident88 Ų8898.1 Ų98.157%0.57152%0.515SS*.Hα-helixtrans-50.6-40.3174-26.834.5000113.1R63 L64P60-R63 PolarHBondContact O-N 3.4Å; P60-L64 WeakPolarHBondContact O-CG 3.5Å; P60-L64 PolarHBondContact O-N 3.09Å; P60-L64 VanDerWaalsContact O-N 3.09Å
61Y89.5Confident87Confident171 Ų17197 Ų9767%0.67152%0.52SS*.Hα-helixtrans-63.1-48175.9175.8-99.8000112.5S59 R63 L64 S65S59-Y61 PolarHBondContact O-N 3.18Å; Y61-R63 VanDerWaalsContact C-N 3.27Å; Y61-R63 PolarHBondContact O-N 3.4Å; Y61-L64 WeakPolarHBondContact O-CB 3.42Å; Y61-L64 PolarHBondContact O-N 3.4Å; Y61-S65 PolarHBondContact O-N 3.24Å; Y61-S65 PolarHBondContact O-OG 3.02Å
62I91.6Very high87.4Confident71 Ų7196.7 Ų96.736%0.36452%0.515SS..Hα-helixtrans-60.9-40.1-179.9-68.6167.6000110.7D58 S59 S65 K66D58-I62 HydrophobicContact CB-CB 4.25Å; D58-I62 HydrophobicContact CB-CG2 3.95Å; S59-I62 PolarHBondContact O-N 3.33Å; S59-I62 VanDerWaalsContact O-N 3.08Å; S59-I62 WeakPolarHBondContact OG-CG1 3.46Å; S59-I62 PolarHBondContact OG-N 2.83Å; I62-S65 PolarHBondContact O-N 2.93Å; I62-K66 HydrophobicContact CG2-CD 4.36Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 WeakPolarHBondContact O-CG 2.77Å; I62-K66 PolarHBondContact O-N 2.97Å
63R92Very high87.2Confident120 Ų12099.8 Ų99.845%0.45353%0.532SS..Hα-helixtrans-63.7-43.4177.1-67.4-174.1-74.3168.2-1.3112F54 D58 S59 P60 Y61 K66 M67F54-R63 HydrophobicContact CD1-CB 4.11Å; F54-R63 HydrophobicContact CD1-CG 3.79Å; F54-R63 HydrophobicContact CE1-CB 3.82Å; F54-R63 HydrophobicContact CE1-CG 4.04Å; D58-R63 HydrophobicContact CB-CG 3.56Å; S59-R63 WeakPolarHBondContact O-CG 3.49Å; S59-R63 PolarHBondContact O-N 3.41Å; P60-R63 PolarHBondContact O-N 3.4Å; Y61-R63 VanDerWaalsContact C-N 3.27Å; Y61-R63 PolarHBondContact O-N 3.4Å; R63-K66 PolarHBondContact O-N 3.25Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 2.85Å; R63-M67 VanDerWaalsContact O-N 3.12Å
64L87.3Confident86.5Confident100 Ų10098.4 Ų98.452%0.52454%0.536SS..Hα-helixtrans-60.9-48.7174.5-74170.9000111.5P60 Y61 K66 M67 G68 G69P60-L64 WeakPolarHBondContact O-CG 3.5Å; P60-L64 PolarHBondContact O-N 3.09Å; P60-L64 VanDerWaalsContact O-N 3.09Å; Y61-L64 WeakPolarHBondContact O-CB 3.42Å; Y61-L64 PolarHBondContact O-N 3.4Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.25Å; L64-M67 WeakPolarHBondContact O-CA 3.37Å; L64-M67 WeakPolarHBondContact O-CB 3.34Å; L64-M67 PolarHBondContact O-N 3.14Å; L64-M67 VanDerWaalsContact O-N 3.1Å; L64-G68 PolarHBondContact O-N 3.36Å; L64-G69 WeakPolarHBondContact O-CA 3.5Å; L64-G69 PolarHBondContact O-N 3.28Å
65S86.9Confident85.8Confident59 Ų5997.6 Ų97.641%0.41354%0.542SS..Hα-helixtrans-61.4-39.4178.6-60.60000112.3Y61 I62 M67 G68Y61-S65 PolarHBondContact O-N 3.24Å; Y61-S65 PolarHBondContact O-OG 3.02Å; I62-S65 PolarHBondContact O-N 2.93Å; S65-M67 VanDerWaalsContact C-N 3.31Å; S65-M67 PolarHBondContact O-N 2.88Å; S65-G68 PolarHBondContact O-N 2.99Å; S65-G68 VanDerWaalsContact O-N 3.09Å
66K89.7Confident84.8Confident63 Ų63100.4 Ų100.427%0.27456%0.555SS.*Hα-helixtrans-57-47.4173.2-80.6179.3178.3-177.60110.6M52 Y53 F54 D58 I62 R63 L64 G68M52-K66 WeakPolarHBondContact CE-O 3.39Å; Y53-K66 PolarHBondContact O-NZ 3.32Å; F54-K66 HydrophobicContact CD1-CD 4.04Å; F54-K66 HydrophobicContact CE1-CB 4.05Å; F54-K66 HydrophobicContact CE1-CD 4.38Å; D58-K66 IonicContact OD1-NZ 3.29Å; D58-K66 PolarHBondContact OD1-NZ 3.2Å; D58-K66 IonicContact OD2-NZ 2.68Å; D58-K66 PolarHBondContact OD2-NZ 2.78Å; I62-K66 HydrophobicContact CG2-CD 4.36Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 WeakPolarHBondContact O-CG 2.77Å; I62-K66 PolarHBondContact O-N 2.97Å; R63-K66 PolarHBondContact O-N 3.25Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.25Å; K66-G68 PolarHBondContact O-N 2.77Å
67M86.1Confident83.9Confident96 Ų96103.4 Ų103.447%0.47355%0.546SS..THydrogen-bonded Turntrans-64.5-0177.2-68.1-79.9114.700115.4M52 F54 R63 L64 S65M52-M67 HydrophobicContact CB-CE 3.42Å; M52-M67 VanDerWaalsContact CB-CE 3.42Å; M52-M67 HydrophobicContact CG-CE 3.94Å; M52-M67 WeakPolarHBondContact SD-CA 3.33Å; M52-M67 HydrophobicContact SD-CE 3.17Å; M52-M67 WeakPolarHBondContact SD-CE 3.49Å; M52-M67 HydrophobicContact SD-CG 4.46Å; M52-M67 HydrophobicContact SD-SD 4.11Å; F54-M67 HydrophobicContact CE1-CE 4Å; F54-M67 HydrophobicContact CE1-CG 4.13Å; F54-M67 HydrophobicContact CE2-CE 3.45Å; F54-M67 VanDerWaalsContact CE2-CE 3.45Å; F54-M67 HydrophobicContact CE2-SD 4.37Å; F54-M67 HydrophobicContact CZ-CE 3.06Å; F54-M67 HydrophobicContact CZ-CG 3.6Å; F54-M67 HydrophobicContact CZ-SD 3.74Å; R63-M67 WeakPolarHBondContact O-CG 3.46Å; R63-M67 PolarHBondContact O-N 2.85Å; R63-M67 VanDerWaalsContact O-N 3.12Å; L64-M67 WeakPolarHBondContact O-CA 3.37Å; L64-M67 WeakPolarHBondContact O-CB 3.34Å; L64-M67 PolarHBondContact O-N 3.14Å; L64-M67 VanDerWaalsContact O-N 3.1Å; S65-M67 VanDerWaalsContact C-N 3.31Å; S65-M67 PolarHBondContact O-N 2.88Å
68G84.4Confident83.1Confident68 Ų68106.3 Ų106.370%0.70155%0.551SS**THydrogen-bonded Turntrans8514.7-174.400000113.5L64 S65 K66L64-G68 PolarHBondContact O-N 3.36Å; S65-G68 PolarHBondContact O-N 2.99Å; S65-G68 VanDerWaalsContact O-N 3.09Å; K66-G68 PolarHBondContact O-N 2.77Å
69G85.7Confident82.4Confident26 Ų26112.9 Ų112.927%0.26859%0.587SS.*SBendtrans87.8-156.9-179.200000112.9L64L64-G69 WeakPolarHBondContact O-CA 3.5Å; L64-G69 PolarHBondContact O-N 3.28Å
70K81.6Confident81.7Confident141 Ų141117.5 Ų117.561%0.61360%0.603SS**  trans-79.4123.7176.3-177.1169.6-179.2165.90108.1D72 L73K70-D72 PolarHBondContact O-N 2.99Å; K70-L73 HydrophobicContact CB-CD2 3.94Å; K70-L73 WeakPolarHBondContact O-CG 3.27Å
71P75.3Confident81.3Confident119 Ų119123 Ų12377%0.77361%0.614SS**THydrogen-bonded Turntrans-62.5-30.8-176.223.4-33.2000112.6L73P71-L73 PolarHBondContact O-N 2.9Å
72D76.7Confident80.9Confident93 Ų93121 Ų12150%0.49762%0.615SS.*THydrogen-bonded Turntrans-104.746.3-168.6-62.2-18.2000112.6K70 L74 C75K70-D72 PolarHBondContact O-N 2.99Å; D72-L74 PolarHBondContact O-N 3.37Å; D72-C75 HydrophobicContact CB-CB 3.88Å; D72-C75 PolarHBondContact O-N 3.06Å
73L71.4Confident80.5Confident143 Ų143122.1 Ų122.175%0.74963%0.629SS**THydrogen-bonded Turntrans-60.4-30.3-179.1-67.5179.1000113.4K70 P71K70-L73 HydrophobicContact CB-CD2 3.94Å; K70-L73 WeakPolarHBondContact O-CG 3.27Å; P71-L73 PolarHBondContact O-N 2.9Å
74L71Confident80.3Confident153 Ų153118.2 Ų118.280%0.80163%0.626SS**THydrogen-bonded Turntrans-98.21.9-178.2-63.5176.9000113.3D72 F76D72-L74 PolarHBondContact O-N 3.37Å; L74-F76 WeakPolarHBondContact O-CD2 3.39Å; L74-F76 PolarHBondContact O-N 3.34Å
75C74.5Confident80.4Confident84 Ų84118.8 Ų118.857%0.56864%0.635SS**  trans-80.3107.4174.4-64.50000109.1D72 R77D72-C75 HydrophobicContact CB-CB 3.88Å; D72-C75 PolarHBondContact O-N 3.06Å; C75-R77 VanDerWaalsContact C-N 3.28Å; C75-R77 PolarHBondContact O-N 3.44Å
76F72Confident80.4Confident200 Ų200121.9 Ų121.988%0.87765%0.654SS**  trans-73.386.5167-62.2-87000108.4L74L74-F76 WeakPolarHBondContact O-CD2 3.39Å; L74-F76 PolarHBondContact O-N 3.34Å
77R74.3Confident80.2Confident194 Ų194124.7 Ų124.773%0.73268%0.676SS**PPolyproline II helixtrans-83.9121.6162.4-173.9171.7173.1165.6-2.7106.9C75 N79 E80C75-R77 VanDerWaalsContact C-N 3.28Å; C75-R77 PolarHBondContact O-N 3.44Å; R77-N79 PolarHBondContact O-N 2.96Å; R77-E80 IonicContact CZ-OE1 3.17Å; R77-E80 IonicContact NE-OE1 3.07Å; R77-E80 IonicContact NH2-OE1 2.68Å; R77-E80 PolarHBondContact NH2-OE1 3.07Å
78E78.6Confident80.4Confident178 Ų178125.2 Ų125.283%0.83269%0.687SS**PPolyproline II helixtrans-56127169.1-69.6-178.7177.300108.1E80E78-E80 PolarHBondContact O-N 2.94Å
79N76.3Confident80.6Confident157 Ų157132.8 Ų132.884%0.8470%0.696SS**PPolyproline II helixtrans-60.8136.2175-78.1-16.1000108.2R77 Y81R77-N79 PolarHBondContact O-N 2.96Å; N79-Y81 PolarHBondContact O-N 3.41Å
80E81.5Confident80.7Confident144 Ų144137.1 Ų137.167%0.67372%0.721SS**PPolyproline II helixtrans-51.6136.3171.8-56.6-66.515200108.8R77 E78 N82R77-E80 IonicContact CZ-OE1 3.17Å; R77-E80 IonicContact NE-OE1 3.07Å; R77-E80 IonicContact NH2-OE1 2.68Å; R77-E80 PolarHBondContact NH2-OE1 3.07Å; E78-E80 PolarHBondContact O-N 2.94Å; E80-N82 PolarHBondContact O-N 3.48Å
81Y81Confident81.1Confident204 Ų204136.5 Ų136.580%0.872%0.715SS**  trans-61.5103.9179.8179.4-102000109.4N79 S83N79-Y81 PolarHBondContact O-N 3.41Å; Y81-S83 PolarHBondContact O-N 3.29Å; Y81-S83 VanDerWaalsContact O-N 3.14Å
82N80.2Confident81.7Confident128 Ų128134.3 Ų134.368%0.68470%0.701SS**  trans-80.795.5174-169.8-8.2000108.5E80 G84E80-N82 PolarHBondContact O-N 3.48Å; N82-G84 PolarHBondContact O-N 2.9Å; N82-G84 WeakPolarHBondContact OD1-CA 3.48Å; N82-G84 PolarHBondContact OD1-N 3.15Å
83S83.9Confident82.2Confident95 Ų95139 Ų13966%0.66472%0.72SS**  trans-76.1-1.2174.6-166.70000113.3Y81Y81-S83 PolarHBondContact O-N 3.29Å; Y81-S83 VanDerWaalsContact O-N 3.14Å
84G87.3Confident83Confident37 Ų37141.9 Ų141.938%0.38172%0.721SS.*SBendtrans-72.9159.3179.600000112.4N82N82-G84 PolarHBondContact O-N 2.9Å; N82-G84 WeakPolarHBondContact OD1-CA 3.48Å; N82-G84 PolarHBondContact OD1-N 3.15Å
85P89.6Confident83.8Confident112 Ų112142.2 Ų142.273%0.72772%0.716SS**PPolyproline II helixtrans-59148.316827.1-33.5000110.2V87P85-V87 PolarHBondContact O-N 3Å
86P86.7Confident84.6Confident124 Ų124141.7 Ų141.781%0.80570%0.703SS**PPolyproline II helixtrans-59.8128.3177.624.5-32.8000110P88P86-P88 WeakPolarHBondContact O-CD 3.44Å
87V86.7Confident85.5Confident123 Ų123138.4 Ų138.475%0.74569%0.694SS**PPolyproline II helixtrans-69.8119.3173.8-179.80000107.6P85P85-V87 PolarHBondContact O-N 3Å
88P89.5Confident86.2Confident107 Ų107136.1 Ų136.170%0.69569%0.692SS**PPolyproline II helixtrans-65.9139.7176.727.9-33.4000109.3P86 C90P86-P88 WeakPolarHBondContact O-CD 3.44Å; P88-C90 PolarHBondContact O-N 2.94Å
89Y88.6Confident86.8Confident227 Ų227130 Ų13089%0.8966%0.664SS**PPolyproline II helixtrans-64.1134.7171.9-66.2-79.8000109.3
90C88.8Confident87.3Confident117 Ų117125.1 Ų125.179%0.79164%0.639SS**PPolyproline II helixtrans-62.6146.8167.7-66.20000108.9P88 C92P88-C90 PolarHBondContact O-N 2.94Å; C90-C92 PolarHBondContact O-N 3.29Å
91R88.7Confident87.7Confident128 Ų128120.3 Ų120.348%0.48362%0.623SS.*PPolyproline II helixtrans-58.6133.5169.2-170.4-179.2-173.1-151.38.1108.4Y96 D99R91-Y96 HydrophobicContact CG-CD2 4.48Å; R91-Y96 HydrophobicContact CG-CE2 3.66Å; R91-Y96 VanDerWaalsContact CZ-CD2 3.47Å; R91-Y96 VanDerWaalsContact NH2-CB 3.32Å; R91-D99 IonicContact CZ-OD1 3.87Å; R91-D99 IonicContact CZ-OD2 3.2Å; R91-D99 VanDerWaalsContact NH1-CG 3.34Å; R91-D99 IonicContact NH1-OD1 3.92Å; R91-D99 PolarHBondContact NH1-OD1 2.8Å; R91-D99 IonicContact NH1-OD2 2.81Å; R91-D99 PolarHBondContact NH1-OD2 3.15Å; R91-D99 VanDerWaalsContact NH1-OD2 3.07Å; R91-D99 IonicContact NH2-OD1 2.97Å; R91-D99 PolarHBondContact NH2-OD1 2.68Å; R91-D99 IonicContact NH2-OD2 2.69Å; R91-D99 PolarHBondContact NH2-OD2 2.87Å
92C88.6Confident88.1Confident72 Ų72114.8 Ų114.849%0.48661%0.607SS.*PPolyproline II helixtrans-68.8153.7177.9-62.90000110.1C90 W94 Y96C90-C92 PolarHBondContact O-N 3.29Å; C92-W94 HydrophobicContact CB-CB 4.39Å; C92-W94 HydrophobicContact CB-CG 4.23Å; C92-W94 PolarHBondContact O-N 3.07Å; C92-Y96 WeakPolarHBondContact CB-OH 3.44Å; C92-Y96 PolarHBondContact N-OH 2.81Å; C92-Y96 VanDerWaalsContact O-CE2 3.26Å; C92-Y96 WeakPolarHBondContact O-CE2 3.26Å
93E86.4Confident88.4Confident192 Ų192113.8 Ų113.890%0.89760%0.598SS**SBendtrans-77.638.6172.7-64-63.2135.600112
94W89.7Confident88.4Confident204 Ų204118.7 Ų118.777%0.77360%0.602SS**SBendtrans-97.1155.8179.6-75.420.4000110C92 Y96C92-W94 HydrophobicContact CB-CB 4.39Å; C92-W94 HydrophobicContact CB-CG 4.23Å; C92-W94 PolarHBondContact O-N 3.07Å; W94-Y96 HydrophobicContact CB-CE2 4.49Å; W94-Y96 WeakPolarHBondContact O-CD2 3.25Å; W94-Y96 VanDerWaalsContact O-CE2 3.25Å; W94-Y96 WeakPolarHBondContact O-CE2 3Å; W94-Y96 PolarHBondContact O-N 2.69Å
95F87.1Confident88.2Confident159 Ų159125.1 Ų125.170%0.69762%0.619SS**  trans-64.8128.5173.397.5-87.8000109L97F95-L97 HydrophobicContact CE2-CD2 3.93Å; F95-L97 HydrophobicContact CE2-CG 4.4Å
96Y91.1Very high87.9Confident73 Ų73126.4 Ų126.429%0.28662%0.616SS.*  trans-113.9140.2172.1-65.5-86.5000110.1R91 C92 W94 E98 D99 N100R91-Y96 HydrophobicContact CG-CD2 4.48Å; R91-Y96 HydrophobicContact CG-CE2 3.66Å; R91-Y96 VanDerWaalsContact CZ-CD2 3.47Å; R91-Y96 VanDerWaalsContact NH2-CB 3.32Å; C92-Y96 WeakPolarHBondContact CB-OH 3.44Å; C92-Y96 PolarHBondContact N-OH 2.81Å; C92-Y96 VanDerWaalsContact O-CE2 3.26Å; C92-Y96 WeakPolarHBondContact O-CE2 3.26Å; W94-Y96 HydrophobicContact CB-CE2 4.49Å; W94-Y96 WeakPolarHBondContact O-CD2 3.25Å; W94-Y96 VanDerWaalsContact O-CE2 3.25Å; W94-Y96 WeakPolarHBondContact O-CE2 3Å; W94-Y96 PolarHBondContact O-N 2.69Å; Y96-E98 PolarHBondContact O-N 3.31Å; Y96-D99 PolarHBondContact O-N 3.28Å; Y96-D99 VanDerWaalsContact O-N 3.15Å; Y96-N100 PolarHBondContact O-N 3.31Å
97L90.5Very high87.6Confident131 Ų131125.4 Ų125.469%0.68660%0.604SS**Hα-helixtrans-62-27.2175.1-66.3175.4000112.4F95 N100 A101F95-L97 HydrophobicContact CE2-CD2 3.93Å; F95-L97 HydrophobicContact CE2-CG 4.4Å; L97-N100 PolarHBondContact O-N 3.24Å; L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.5Å; L97-A101 PolarHBondContact O-N 2.92Å
98E89.6Confident86.7Confident147 Ų147126.6 Ų126.669%0.68761%0.605SS**Hα-helixtrans-64.7-41.2175.3-64.7177.8-174.600111.9Y96 A101 L102Y96-E98 PolarHBondContact O-N 3.31Å; E98-A101 PolarHBondContact O-N 3.21Å; E98-L102 VanDerWaalsContact O-CB 3.27Å; E98-L102 WeakPolarHBondContact O-CB 3.4Å; E98-L102 PolarHBondContact O-N 3.46Å
99D90.8Very high85.6Confident49 Ų49129 Ų12926%0.26261%0.606SS.*Hα-helixtrans-65-46.7176.1-61.4-32.1000110R91 Y96 A101 L102 E103R91-D99 IonicContact CZ-OD1 3.87Å; R91-D99 IonicContact CZ-OD2 3.2Å; R91-D99 VanDerWaalsContact NH1-CG 3.34Å; R91-D99 IonicContact NH1-OD1 3.92Å; R91-D99 PolarHBondContact NH1-OD1 2.8Å; R91-D99 IonicContact NH1-OD2 2.81Å; R91-D99 PolarHBondContact NH1-OD2 3.15Å; R91-D99 VanDerWaalsContact NH1-OD2 3.07Å; R91-D99 IonicContact NH2-OD1 2.97Å; R91-D99 PolarHBondContact NH2-OD1 2.68Å; R91-D99 IonicContact NH2-OD2 2.69Å; R91-D99 PolarHBondContact NH2-OD2 2.87Å; Y96-D99 PolarHBondContact O-N 3.28Å; Y96-D99 VanDerWaalsContact O-N 3.15Å; D99-A101 VanDerWaalsContact C-N 3.27Å; D99-A101 PolarHBondContact O-N 3.1Å; D99-L102 WeakPolarHBondContact O-CB 3.49Å; D99-L102 PolarHBondContact O-N 3.3Å; D99-L102 VanDerWaalsContact O-N 3.1Å; D99-E103 WeakPolarHBondContact O-CB 3.27Å; D99-E103 WeakPolarHBondContact O-CG 3.3Å; D99-E103 PolarHBondContact O-N 2.8Å
100N87.9Confident84.6Confident55 Ų55123.2 Ų123.229%0.29460%0.597SS.*Hα-helixtrans-59.6-39.2176-64.8-9.5000112Y96 L97 R104Y96-N100 PolarHBondContact O-N 3.31Å; L97-N100 PolarHBondContact O-N 3.24Å; N100-R104 WeakPolarHBondContact O-CB 3.44Å; N100-R104 VanDerWaalsContact O-CG 3.31Å; N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 3.11Å
101A88.6Confident83.4Confident42 Ų42125.7 Ų125.735%0.34760%0.597SS.*Hα-helixtrans-69.3-36.4177.600000111.7L97 E98 D99 K105L97-A101 VanDerWaalsContact O-CB 3.3Å; L97-A101 WeakPolarHBondContact O-CB 3.5Å; L97-A101 PolarHBondContact O-N 2.92Å; E98-A101 PolarHBondContact O-N 3.21Å; D99-A101 VanDerWaalsContact C-N 3.27Å; D99-A101 PolarHBondContact O-N 3.1Å; A101-K105 WeakPolarHBondContact O-CG 3.31Å; A101-K105 PolarHBondContact O-N 3.48Å; A101-K105 VanDerWaalsContact O-N 3.09Å
102L89.8Confident82.2Confident89 Ų89125 Ų12547%0.46661%0.609SS.*Hα-helixtrans-69.5-43.9176.3-173.7154.3000110.7E98 D99 R104 K105 Q106E98-L102 VanDerWaalsContact O-CB 3.27Å; E98-L102 WeakPolarHBondContact O-CB 3.4Å; E98-L102 PolarHBondContact O-N 3.46Å; D99-L102 WeakPolarHBondContact O-CB 3.49Å; D99-L102 PolarHBondContact O-N 3.3Å; D99-L102 VanDerWaalsContact O-N 3.1Å; L102-R104 PolarHBondContact O-N 2.96Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-K105 VanDerWaalsContact O-N 3.11Å; L102-Q106 HydrophobicContact CD2-CG 4.26Å; L102-Q106 WeakPolarHBondContact O-CG 3.3Å; L102-Q106 PolarHBondContact O-N 2.79Å
103E86.8Confident81.4Confident107 Ų107127.7 Ų127.750%0.562%0.623SS.*Hα-helixtrans-58.9-44.1171.6-73.9-178.8-179.100111.7D99 K105 Q106 N107D99-E103 WeakPolarHBondContact O-CB 3.27Å; D99-E103 WeakPolarHBondContact O-CG 3.3Å; D99-E103 PolarHBondContact O-N 2.8Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.29Å; E103-Q106 PolarHBondContact O-N 3.34Å; E103-N107 VanDerWaalsContact O-CB 3.3Å; E103-N107 WeakPolarHBondContact O-CB 3.33Å; E103-N107 PolarHBondContact O-N 2.95Å; E103-N107 PolarHBondContact O-ND2 2.88Å
104R83.8Confident81.2Confident198 Ų198127.6 Ų127.675%0.74762%0.62SS**Hα-helixtrans-63.6-27.9174.4-78.5-178-168160.83.9114N100 L102N100-R104 WeakPolarHBondContact O-CB 3.44Å; N100-R104 VanDerWaalsContact O-CG 3.31Å; N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 3.11Å; L102-R104 PolarHBondContact O-N 2.96Å
105K83.8Confident80.9Confident171 Ų171126.9 Ų126.974%0.74362%0.618SS**Hα-helixtrans-78.7-34.1175.2-74.8173.2-179179.40111.5A101 L102 E103A101-K105 WeakPolarHBondContact O-CG 3.31Å; A101-K105 PolarHBondContact O-N 3.48Å; A101-K105 VanDerWaalsContact O-N 3.09Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-K105 VanDerWaalsContact O-N 3.11Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.29Å
106Q83.2Confident80.7Confident139 Ų139124.3 Ų124.365%0.6562%0.616SS**Hα-helixtrans-74.7-42.7177.2-71.8-176.7900112L102 E103 I108L102-Q106 HydrophobicContact CD2-CG 4.26Å; L102-Q106 WeakPolarHBondContact O-CG 3.3Å; L102-Q106 PolarHBondContact O-N 2.79Å; E103-Q106 PolarHBondContact O-N 3.34Å; Q106-I108 PolarHBondContact O-N 3.09Å
107N79.2Confident80.4Confident103 Ų103127.3 Ų127.355%0.55163%0.63SS**SBendtrans-74.283.4167.3-64.1-33.3000106.7E103 E109E103-N107 VanDerWaalsContact O-CB 3.3Å; E103-N107 WeakPolarHBondContact O-CB 3.33Å; E103-N107 PolarHBondContact O-N 2.95Å; E103-N107 PolarHBondContact O-ND2 2.88Å; N107-E109 PolarHBondContact O-N 2.69Å
108I68.5Low80Confident149 Ų149129.7 Ų129.776%0.76464%0.635SS**  trans-61.283.7166.5-59162.4000105.6Q106Q106-I108 PolarHBondContact O-N 3.09Å
109E66Low79.7Confident156 Ų156125.9 Ų125.973%0.72962%0.622SS**  trans-54.2129165.2-78.6-85.2159.300105.5N107 E111N107-E109 PolarHBondContact O-N 2.69Å; E109-E111 PolarHBondContact O-N 3.2Å
110P66.8Low79.5Confident107 Ų107125.9 Ų125.970%0.69562%0.624SS**SBendtrans-50.9132.6173.423.5-32.4000107.7
111E64.8Low79Confident168 Ų168131.5 Ų131.579%0.78565%0.647SS**SBendtrans-16.9124.9179.7-77.7-71.5134.700112.7E109 T113E109-E111 PolarHBondContact O-N 3.2Å; E111-T113 PolarHBondContact O-N 2.93Å
112P62.8Low78.7Confident115 Ų115137.3 Ų137.375%0.74766%0.661SS**  trans-55.3102.8-171.424.7-34.2000108.4K114P112-K114 PolarHBondContact O-N 2.87Å
113T71.9Confident78.5Confident128 Ų128139 Ų13979%0.78567%0.667SS**  trans-53.8117.316852.30000104.4E111 Y115E111-T113 PolarHBondContact O-N 2.93Å; T113-Y115 PolarHBondContact O-N 2.71Å
114K81.7Confident78.1Confident190 Ų190135.4 Ų135.483%0.82666%0.655SS**  trans-38.3108.9-176.3176.7-178.5179.21800108.4P112 V116P112-K114 PolarHBondContact O-N 2.87Å; K114-V116 WeakPolarHBondContact O-CG2 3.5Å; K114-V116 PolarHBondContact O-N 2.91Å
115Y83.2Confident77.8Confident188 Ų188130.8 Ų130.874%0.73765%0.645SS**  trans-56.2115-171.8173.1-102.6000109T113 F117T113-Y115 PolarHBondContact O-N 2.71Å; Y115-F117 HydrophobicContact CE1-CB 3.93Å; Y115-F117 HydrophobicContact CE1-CD2 4.19Å
116V84Confident77.1Confident106 Ų106126.9 Ų126.964%0.64264%0.639SS**  trans-98.1108.9173.4-177.70000106.5K114 K118K114-V116 WeakPolarHBondContact O-CG2 3.5Å; K114-V116 PolarHBondContact O-N 2.91Å; V116-K118 PolarHBondContact O-N 2.97Å
117F83.9Confident76.6Confident135 Ų135123 Ų12359%0.59263%0.627SS**  trans-59.6108.9172.7-179.1-106.7000109.1Y115 V119Y115-F117 HydrophobicContact CE1-CB 3.93Å; Y115-F117 HydrophobicContact CE1-CD2 4.19Å; F117-V119 HydrophobicContact CD1-CG2 3.76Å; F117-V119 HydrophobicContact CE1-CG2 3.55Å
118K83Confident75.9Confident181 Ų181121.5 Ų121.579%0.78762%0.622SS**  trans-88111.1173.4-66.8-177.3-177.2-178.90108V116V116-K118 PolarHBondContact O-N 2.97Å
119V84Confident75.3Confident68 Ų68118.8 Ų118.841%0.41261%0.606SS.*  trans-68.6127.1170.5178.60000107.9F117 M123F117-V119 HydrophobicContact CD1-CG2 3.76Å; F117-V119 HydrophobicContact CE1-CG2 3.55Å; V119-M123 HydrophobicContact CG1-CB 3.4Å; V119-M123 VanDerWaalsContact CG1-CB 3.4Å
120P85.9Confident74.9Confident48 Ų48118.4 Ų118.431%0.31260%0.604SS.*  trans-55.1143.6173.3-26.234.6000111.7Y122 M123P120-Y122 HydrophobicContact CB-CD1 3.89Å; P120-Y122 HydrophobicContact CB-CE1 3.37Å; P120-Y122 HydrophobicContact CB-CE2 4.4Å; P120-Y122 HydrophobicContact CG-CE1 4.31Å; P120-Y122 PolarHBondContact O-N 3Å; P120-M123 HydrophobicContact CG-SD 4.17Å; P120-M123 WeakPolarHBondContact O-CB 3.39Å; P120-M123 PolarHBondContact O-N 3.32Å
121F77.4Confident74.4Confident174 Ų174117.8 Ų117.876%0.76359%0.593SS**THydrogen-bonded Turntrans-53.2-26.9-170.868.2-90.2000115S124F121-S124 VanDerWaalsContact O-O 3.1Å; F121-S124 PolarHBondContact O-OG 2.85Å
122Y83.1Confident74Confident164 Ų164115.9 Ų115.964%0.64359%0.585SS**THydrogen-bonded Turntrans-85.5-12.6-179.360.9-97000113.8P120P120-Y122 HydrophobicContact CB-CD1 3.89Å; P120-Y122 HydrophobicContact CB-CE1 3.37Å; P120-Y122 HydrophobicContact CB-CE2 4.4Å; P120-Y122 HydrophobicContact CG-CE1 4.31Å; P120-Y122 PolarHBondContact O-N 3Å
123M84.5Confident73.7Confident123 Ų123118.3 Ų118.361%0.60658%0.583SS**THydrogen-bonded Turntrans-90.2-9.4176.5-68.5-175.370.100112.5V119 P120V119-M123 HydrophobicContact CG1-CB 3.4Å; V119-M123 VanDerWaalsContact CG1-CB 3.4Å; P120-M123 HydrophobicContact CG-SD 4.17Å; P120-M123 WeakPolarHBondContact O-CB 3.39Å; P120-M123 PolarHBondContact O-N 3.32Å
124S77.6Confident73Confident33 Ų33115.7 Ų115.723%0.23157%0.57CS.*SBendtrans-109.9129.8172.939.70000109.1F121 S126F121-S124 VanDerWaalsContact O-O 3.1Å; F121-S124 PolarHBondContact O-OG 2.85Å; S124-S126 PolarHBondContact O-N 3.26Å
125D77.6Confident71.7Confident101 Ų101114.2 Ų114.254%0.5456%0.564SS.*  trans-62.6125.4173.3-176-9.1000109.4S127 V128D125-S127 PolarHBondContact O-N 3.43Å; D125-S127 PolarHBondContact OD1-N 2.98Å; D125-S127 PolarHBondContact OD1-OG 3.02Å; D125-S127 PolarHBondContact OD2-OG 2.96Å; D125-V128 HydrophobicContact CB-CG2 4.46Å; D125-V128 PolarHBondContact O-N 2.85Å
126S70Confident70.1Confident88 Ų88111.2 Ų111.262%0.61557%0.565SS**Hα-helixtrans-52.5-21.4175.352.80000114.3S124 V128S124-S126 PolarHBondContact O-N 3.26Å; S126-V128 VanDerWaalsContact C-N 3.28Å; S126-V128 PolarHBondContact O-N 3.19Å
127S72Confident68.6Low58 Ų58111 Ų11141%0.40656%0.564SS.*Hα-helixtrans-62.4-32.5173.867.20000113D125 Q130D125-S127 PolarHBondContact O-N 3.43Å; D125-S127 PolarHBondContact OD1-N 2.98Å; D125-S127 PolarHBondContact OD1-OG 3.02Å; D125-S127 PolarHBondContact OD2-OG 2.96Å; S127-Q130 PolarHBondContact O-N 3.43Å
128V64.5Low67.3Low72 Ų72113 Ų11344%0.43658%0.575SS.*Hα-helixtrans-71.6-38-176-1750000111.8D125 S126 Q130 I131D125-V128 HydrophobicContact CB-CG2 4.46Å; D125-V128 PolarHBondContact O-N 2.85Å; S126-V128 VanDerWaalsContact C-N 3.28Å; S126-V128 PolarHBondContact O-N 3.19Å; V128-Q130 PolarHBondContact O-N 3.17Å; V128-I131 PolarHBondContact O-N 3.47Å
129H56.5Low66.1Low92 Ų92112.7 Ų112.743%0.42657%0.574SS.*Hα-helixtrans-67.9-21.9-179.6-69.9-38.8000114I131H129-I131 VanDerWaalsContact C-N 3.34Å
130Q58.4Low64.6Low148 Ų148116.4 Ų116.469%0.69260%0.597SS**Hα-helixtrans-73.8-29.2175.8-60.7-158.238.300112S127 V128 S134S127-Q130 PolarHBondContact O-N 3.43Å; V128-Q130 PolarHBondContact O-N 3.17Å; Q130-S134 PolarHBondContact O-OG 3.27Å
131I56Low63.3Low93 Ų93119.7 Ų119.748%0.47762%0.616SS.*Hα-helixtrans-72.5-35.4-178.6-57.8169.4000111.1V128 H129 S134V128-I131 PolarHBondContact O-N 3.47Å; H129-I131 VanDerWaalsContact C-N 3.34Å; I131-S134 PolarHBondContact O-OG 3.42Å; I131-S134 VanDerWaalsContact O-OG 3.14Å
132E56.7Low62.2Low129 Ų129117.9 Ų117.960%0.60361%0.614SS**Hα-helixtrans-73.6-36.6-180-66-172.3163.100112.3S134E132-S134 VanDerWaalsContact C-N 3.32Å; E132-S134 PolarHBondContact O-N 3.08Å
133K55.7Low61.2Low166 Ų166120.9 Ų120.972%0.72262%0.624SS**Hα-helixtrans-66.9-30.7179.8-73.3-179.5-179.7178.70113.4
134S56.4Low60.1Low72 Ų72121.1 Ų121.150%0.50363%0.632SS.*Hα-helixtrans-80.8-27.5-178.255.90000113.6Q130 I131 E132 T136 T137Q130-S134 PolarHBondContact O-OG 3.27Å; I131-S134 PolarHBondContact O-OG 3.42Å; I131-S134 VanDerWaalsContact O-OG 3.14Å; E132-S134 VanDerWaalsContact C-N 3.32Å; E132-S134 PolarHBondContact O-N 3.08Å; S134-T136 PolarHBondContact O-N 3.5Å; S134-T137 PolarHBondContact O-OG1 3.14Å; S134-T137 VanDerWaalsContact O-OG1 3.08Å
135K55.5Low59.6Low159 Ų159127.9 Ų127.969%0.69166%0.66SS**Hα-helixtrans-72-27.9-178.7-75.9-176.4178.1-1800114.2T137K135-T137 VanDerWaalsContact C-N 3.28Å; K135-T137 PolarHBondContact O-N 3.4Å
136T49.4Very low58.7Low125 Ų125129.1 Ų129.177%0.76767%0.674SS**THydrogen-bonded Turntrans-77.1-14.5-178.8-48.70000113.1S134S134-T136 PolarHBondContact O-N 3.5Å
137T52.6Low57.7Low101 Ų101130.6 Ų130.662%0.6268%0.684SS**THydrogen-bonded Turntrans-93.9-2.5-17746.60000115.5S134 K135 K139S134-T137 PolarHBondContact O-OG1 3.14Å; S134-T137 VanDerWaalsContact O-OG1 3.08Å; K135-T137 VanDerWaalsContact C-N 3.28Å; K135-T137 PolarHBondContact O-N 3.4Å; T137-K139 VanDerWaalsContact O-CG 3.25Å; T137-K139 WeakPolarHBondContact O-CG 3.25Å; T137-K139 PolarHBondContact O-N 2.9Å
138E56.6Low57Low177 Ų177139.2 Ų139.283%0.82772%0.723SS**SBendtrans-80.372.8170.8-99.1-173.8159.800111.6V140E138-V140 PolarHBondContact O-N 2.92Å
139K57.5Low56.7Low176 Ų176142.6 Ų142.677%0.76574%0.738SS**  trans26.595.8131.7-58.4-111.9177.7-176.60115.5T137 V141T137-K139 VanDerWaalsContact O-CG 3.25Å; T137-K139 WeakPolarHBondContact O-CG 3.25Å; T137-K139 PolarHBondContact O-N 2.9Å; K139-V141 HydrophobicContact CB-CG2 4.19Å; K139-V141 PolarHBondContact O-N 3.46Å
140V52.1Low56.7Low146 Ų146145.3 Ų145.389%0.88575%0.754SS**  trans-58.790.5148.9178.90000107.4E138 D142E138-V140 PolarHBondContact O-N 2.92Å; V140-D142 PolarHBondContact O-N 3.31Å
141V59.9Low56.6Low117 Ų117145.1 Ų145.171%0.70976%0.758SS**  trans-79.7104.8169.9172.20000107.2K139 R143K139-V141 HydrophobicContact CB-CG2 4.19Å; K139-V141 PolarHBondContact O-N 3.46Å; V141-R143 PolarHBondContact O-N 3.24Å
142D54.5Low56.6Low135 Ų135148.2 Ų148.272%0.72277%0.774SS**  trans-56.8110.4174.7-158.32.5000110V140 T144V140-D142 PolarHBondContact O-N 3.31Å; D142-T144 PolarHBondContact O-N 3.22Å
143R60.6Low56.6Low228 Ų228149.4 Ų149.486%0.8679%0.785SS**  trans-87.288.4174.5-71.2-170.5-178.1-164.41.5108V141 Q145V141-R143 PolarHBondContact O-N 3.24Å; R143-Q145 PolarHBondContact O-N 3.26Å
144T62.9Low56.7Low128 Ų128148.3 Ų148.379%0.78579%0.789SS**PPolyproline II helixtrans-59.7118.2168.8-23.70000108.5D142D142-T144 PolarHBondContact O-N 3.22Å
145Q65.7Low56.7Low174 Ų174153.7 Ų153.781%0.81381%0.81SS**PPolyproline II helixtrans-74134176.7-65.9-162.8-27.400109.8R143 S147R143-Q145 PolarHBondContact O-N 3.26Å; Q145-S147 PolarHBondContact O-N 3.43Å
146P59.9Low56.8Low127 Ų127153.3 Ų153.383%0.82582%0.819SS**PPolyproline II helixtrans-73.3125.7177.529.1-30.3000109.6I148P146-I148 PolarHBondContact O-N 3.45Å
147S48.4Very low57.4Low120 Ų120155.7 Ų155.784%0.83982%0.823SS**  trans-75112.4169.5-55.70000110Q145Q145-S147 PolarHBondContact O-N 3.43Å
148I58.1Low57.8Low239 Ų239160.6 Ų160.6100%1.22684%0.841SS**  trans-144.20150-54.6-178.9000107.4P146P146-I148 PolarHBondContact O-N 3.45Å

Retrieved 148 of 148 residues in 21.1 ms (Link to these results)